1 ASN 1 N -0.0180 -0.0240 -0.0155 2 ASN 1 CA -0.0178 -0.0194 -0.0145 3 ASN 1 C -0.0146 -0.0036 -0.0099 4 ASN 1 O -0.0216 0.0050 -0.0111 5 ASN 1 CB -0.0075 -0.0290 -0.0120 6 ASN 1 CG -0.0066 -0.0240 -0.0106 7 ASN 1 OD1 0.0052 -0.0269 -0.0062 8 ASN 1 ND2 -0.0164 -0.0174 -0.0135 9 ASN 1 H1 -0.0201 -0.0345 -0.0186 10 ASN 1 H2 -0.0251 -0.0179 -0.0173 11 ASN 1 HA -0.0278 -0.0203 -0.0190 12 ASN 1 HB3 0.0025 -0.0291 -0.0078 13 ASN 1 HB2 -0.0104 -0.0401 -0.0156 14 ASN 1 HD22 -0.0157 -0.0141 -0.0125 15 ASN 1 HD21 -0.0252 -0.0153 -0.0168 16 LEU 2 N -0.0039 0.0001 -0.0045 17 LEU 2 CA -0.0004 0.0150 0.0001 18 LEU 2 C -0.0086 0.0233 -0.0017 19 LEU 2 O -0.0075 0.0363 0.0014 20 LEU 2 CB 0.0147 0.0157 0.0067 21 LEU 2 CG 0.0248 0.0130 0.0105 22 LEU 2 CD1 0.0389 0.0082 0.0156 23 LEU 2 CD2 0.0251 0.0266 0.0134 24 LEU 2 H 0.0020 -0.0076 -0.0035 25 LEU 2 HA -0.0028 0.0202 0.0001 26 LEU 2 HB3 0.0164 0.0260 0.0095 27 LEU 2 HB2 0.0177 0.0084 0.0065 28 LEU 2 HG 0.0213 0.0044 0.0072 29 LEU 2 HD11 0.0459 0.0064 0.0182 30 LEU 2 HD12 0.0386 -0.0018 0.0134 31 LEU 2 HD13 0.0425 0.0166 0.0188 32 LEU 2 HD21 0.0322 0.0246 0.0161 33 LEU 2 HD22 0.0282 0.0354 0.0165 34 LEU 2 HD23 0.0150 0.0295 0.0097 35 GLY 3 N -0.0074 0.0061 -0.0016 36 GLY 3 CA -0.0066 0.0062 -0.0002 37 GLY 3 C -0.0048 0.0061 0.0026 38 GLY 3 O -0.0043 0.0066 0.0036 39 GLY 3 H -0.0073 0.0076 -0.0010 40 GLY 3 HA3 -0.0071 0.0082 -0.0005 41 GLY 3 HA2 -0.0068 0.0045 -0.0009 42 LEU 4 N -0.0040 0.0053 0.0038 43 LEU 4 CA -0.0023 0.0050 0.0065 44 LEU 4 C -0.0018 0.0075 0.0078 45 LEU 4 O -0.0025 0.0082 0.0070 46 LEU 4 CB -0.0015 0.0021 0.0069 47 LEU 4 CG 0.0003 0.0009 0.0095 48 LEU 4 CD1 0.0007 0.0007 0.0101 49 LEU 4 CD2 0.0007 -0.0020 0.0094 50 LEU 4 H -0.0045 0.0049 0.0028 51 LEU 4 HA -0.0019 0.0052 0.0071 52 LEU 4 HB3 -0.0018 0.0020 0.0064 53 LEU 4 HB2 -0.0021 0.0005 0.0055 54 LEU 4 HG 0.0009 0.0025 0.0109 55 LEU 4 HD11 0.0020 -0.0001 0.0119 56 LEU 4 HD12 0.0003 0.0028 0.0101 57 LEU 4 HD13 0.0001 -0.0008 0.0087 58 LEU 4 HD21 0.0020 -0.0028 0.0113 59 LEU 4 HD22 0.0001 -0.0035 0.0080 60 LEU 4 HD23 0.0004 -0.0017 0.0090 61 ASP 5 N -0.0033 0.0023 0.0064 62 ASP 5 CA -0.0025 0.0022 0.0063 63 ASP 5 C -0.0012 0.0019 0.0061 64 ASP 5 O -0.0008 0.0024 0.0059 65 ASP 5 CB -0.0025 0.0033 0.0061 66 ASP 5 CG -0.0035 0.0034 0.0063 67 ASP 5 OD1 -0.0041 0.0025 0.0065 68 ASP 5 OD2 -0.0038 0.0044 0.0062 69 ASP 5 H -0.0032 0.0030 0.0063 70 ASP 5 HA -0.0027 0.0014 0.0064 71 ASP 5 HB3 -0.0017 0.0033 0.0060 72 ASP 5 HB2 -0.0024 0.0041 0.0060 73 CYS 6 N -0.0006 0.0011 0.0061 74 CYS 6 CA 0.0006 0.0007 0.0059 75 CYS 6 C 0.0013 0.0007 0.0058 76 CYS 6 O 0.0009 0.0006 0.0059 77 CYS 6 CB 0.0006 -0.0005 0.0060 78 CYS 6 SG -0.0002 -0.0005 0.0062 79 CYS 6 H -0.0010 0.0006 0.0062 80 CYS 6 HA 0.0009 0.0014 0.0058 81 CYS 6 HB3 0.0015 -0.0007 0.0059 82 CYS 6 HB2 0.0004 -0.0012 0.0061 83 ASP 7 N -0.0008 -0.0046 0.0011 84 ASP 7 CA 0.0005 -0.0072 -0.0003 85 ASP 7 C 0.0003 -0.0069 -0.0010 86 ASP 7 O -0.0007 -0.0048 -0.0002 87 ASP 7 CB 0.0007 -0.0079 -0.0034 88 ASP 7 CG -0.0005 -0.0055 -0.0057 89 ASP 7 OD1 -0.0008 -0.0051 -0.0072 90 ASP 7 OD2 -0.0013 -0.0040 -0.0061 91 ASP 7 H -0.0018 -0.0027 0.0000 92 ASP 7 HA 0.0014 -0.0089 0.0013 93 ASP 7 HB3 0.0009 -0.0083 -0.0028 94 ASP 7 HB2 0.0017 -0.0098 -0.0044 95 GLU 8 N 0.0014 -0.0092 -0.0023 96 GLU 8 CA 0.0014 -0.0092 -0.0030 97 GLU 8 C 0.0002 -0.0069 -0.0052 98 GLU 8 O -0.0003 -0.0059 -0.0049 99 GLU 8 CB 0.0028 -0.0121 -0.0043 100 GLU 8 CG 0.0035 -0.0135 -0.0066 101 GLU 8 CD 0.0041 -0.0145 -0.0051 102 GLU 8 OE1 0.0048 -0.0158 -0.0026 103 GLU 8 OE2 0.0037 -0.0139 -0.0064 104 GLU 8 H 0.0022 -0.0108 -0.0030 105 GLU 8 HA 0.0013 -0.0088 -0.0007 106 GLU 8 HB3 0.0036 -0.0135 -0.0023 107 GLU 8 HB2 0.0027 -0.0118 -0.0054 108 GLU 8 HG3 0.0043 -0.0152 -0.0078 109 GLU 8 HG2 0.0027 -0.0120 -0.0085 110 HIS 9 N -0.0038 -0.0133 -0.0060 111 HIS 9 CA -0.0035 -0.0099 -0.0097 112 HIS 9 C -0.0005 -0.0059 -0.0071 113 HIS 9 O 0.0001 -0.0046 -0.0073 114 HIS 9 CB -0.0055 -0.0118 -0.0127 115 HIS 9 CG -0.0083 -0.0155 -0.0153 116 HIS 9 ND1 -0.0093 -0.0148 -0.0189 117 HIS 9 CD2 -0.0104 -0.0195 -0.0155 118 HIS 9 CE1 -0.0119 -0.0185 -0.0209 119 HIS 9 NE2 -0.0126 -0.0214 -0.0188 120 HIS 9 H -0.0039 -0.0154 -0.0034 121 HIS 9 HA -0.0037 -0.0087 -0.0120 122 HIS 9 HB3 -0.0051 -0.0091 -0.0152 123 HIS 9 HB2 -0.0053 -0.0130 -0.0105 124 HIS 9 HD1 -0.0081 -0.0118 -0.0198 125 HIS 9 HD2 -0.0102 -0.0206 -0.0133 126 HIS 9 HE1 -0.0130 -0.0187 -0.0236 127 SER 10 N 0.0012 -0.0043 -0.0047 128 SER 10 CA 0.0040 -0.0003 -0.0024 129 SER 10 C 0.0048 0.0031 -0.0049 130 SER 10 O 0.0036 0.0018 -0.0064 131 SER 10 CB 0.0054 -0.0014 0.0029 132 SER 10 OG 0.0079 0.0023 0.0045 133 SER 10 H 0.0005 -0.0058 -0.0044 134 SER 10 HA 0.0046 0.0011 -0.0027 135 SER 10 HB3 0.0042 -0.0043 0.0034 136 SER 10 HB2 0.0057 -0.0024 0.0050 137 SER 10 HG 0.0087 0.0015 0.0078 138 SER 11 N 0.0093 -0.0051 -0.0006 139 SER 11 CA 0.0091 -0.0057 -0.0003 140 SER 11 C 0.0067 -0.0045 0.0033 141 SER 11 O 0.0062 -0.0032 0.0037 142 SER 11 CB 0.0106 -0.0031 -0.0032 143 SER 11 OG 0.0100 0.0010 -0.0034 144 SER 11 H 0.0090 -0.0023 -0.0010 145 SER 11 HA 0.0098 -0.0089 -0.0004 146 SER 11 HB3 0.0124 -0.0044 -0.0057 147 SER 11 HB2 0.0103 -0.0033 -0.0027 148 SER 11 HG 0.0084 0.0021 -0.0012 149 GLU 12 N 0.0051 -0.0049 0.0058 150 GLU 12 CA 0.0027 -0.0040 0.0094 151 GLU 12 C 0.0020 -0.0073 0.0113 152 GLU 12 O 0.0023 -0.0108 0.0117 153 GLU 12 CB 0.0014 -0.0036 0.0113 154 GLU 12 CG -0.0012 -0.0029 0.0152 155 GLU 12 CD -0.0022 0.0011 0.0157 156 GLU 12 OE1 -0.0021 0.0044 0.0147 157 GLU 12 OE2 -0.0030 0.0009 0.0170 158 GLU 12 H 0.0056 -0.0060 0.0053 159 GLU 12 HA 0.0022 -0.0010 0.0093 160 GLU 12 HB3 0.0020 -0.0064 0.0111 161 GLU 12 HB2 0.0018 -0.0012 0.0100 162 GLU 12 HG3 -0.0016 -0.0054 0.0165 163 GLU 12 HG2 -0.0020 -0.0029 0.0164 164 SER 13 N -0.0081 -0.0089 0.0374 165 SER 13 CA -0.0076 -0.0049 0.0332 166 SER 13 C -0.0051 -0.0036 0.0251 167 SER 13 O -0.0050 0.0017 0.0213 168 SER 13 CB -0.0069 -0.0092 0.0342 169 SER 13 OG -0.0040 -0.0159 0.0304 170 SER 13 H -0.0071 -0.0146 0.0382 171 SER 13 HA -0.0096 0.0006 0.0354 172 SER 13 HB3 -0.0086 -0.0107 0.0401 173 SER 13 HB2 -0.0071 -0.0056 0.0322 174 SER 13 HG -0.0026 -0.0146 0.0253 175 ARG 14 N -0.0030 -0.0085 0.0223 176 ARG 14 CA -0.0003 -0.0081 0.0144 177 ARG 14 C -0.0011 -0.0016 0.0121 178 ARG 14 O -0.0033 0.0013 0.0167 179 ARG 14 CB 0.0021 -0.0155 0.0123 180 ARG 14 CG 0.0030 -0.0224 0.0146 181 ARG 14 CD 0.0063 -0.0275 0.0083 182 ARG 14 NE 0.0072 -0.0345 0.0107 183 ARG 14 CZ 0.0072 -0.0351 0.0111 184 ARG 14 NH1 0.0064 -0.0291 0.0092 185 ARG 14 NH2 0.0080 -0.0416 0.0132 186 ARG 14 H -0.0032 -0.0126 0.0256 187 ARG 14 HA 0.0005 -0.0071 0.0114 188 ARG 14 HB3 0.0041 -0.0153 0.0064 189 ARG 14 HB2 0.0015 -0.0163 0.0148 190 ARG 14 HG3 0.0021 -0.0256 0.0193 191 ARG 14 HG2 0.0020 -0.0205 0.0162 192 ARG 14 HD3 0.0072 -0.0246 0.0038 193 ARG 14 HD2 0.0074 -0.0289 0.0063 194 ARG 14 HE 0.0078 -0.0391 0.0120 195 ARG 14 HH12 0.0064 -0.0295 0.0095 196 ARG 14 HH11 0.0058 -0.0241 0.0076 197 ARG 14 HH22 0.0080 -0.0421 0.0135 198 ARG 14 HH21 0.0085 -0.0462 0.0146 199 CYS 15 N 0.0015 0.0014 0.0031 200 CYS 15 CA 0.0013 0.0033 0.0021 201 CYS 15 C 0.0010 0.0025 0.0033 202 CYS 15 O 0.0019 0.0003 0.0032 203 CYS 15 CB 0.0027 0.0035 -0.0008 204 CYS 15 SG 0.0026 0.0056 -0.0021 205 CYS 15 H 0.0024 0.0008 0.0018 206 CYS 15 HA 0.0004 0.0052 0.0025 207 CYS 15 HB3 0.0036 0.0015 -0.0012 208 CYS 15 HB2 0.0028 0.0041 -0.0016 209 CYS 16 N -0.0002 0.0043 0.0043 210 CYS 16 CA -0.0008 0.0037 0.0059 211 CYS 16 C -0.0016 0.0061 0.0059 212 CYS 16 O -0.0022 0.0083 0.0054 213 CYS 16 CB -0.0017 0.0027 0.0086 214 CYS 16 SG -0.0021 0.0011 0.0106 215 CYS 16 H -0.0008 0.0062 0.0041 216 CYS 16 HA 0.0001 0.0021 0.0052 217 CYS 16 HB3 -0.0028 0.0043 0.0094 218 CYS 16 HB2 -0.0012 0.0013 0.0086 219 ARG 17 N -0.0056 0.0013 0.0028 220 ARG 17 CA -0.0045 0.0016 0.0025 221 ARG 17 C -0.0029 0.0020 0.0021 222 ARG 17 O -0.0028 0.0028 0.0014 223 ARG 17 CB -0.0053 0.0026 0.0016 224 ARG 17 CG -0.0044 0.0028 0.0014 225 ARG 17 CD -0.0051 0.0039 0.0006 226 ARG 17 NE -0.0050 0.0050 -0.0004 227 ARG 17 CZ -0.0049 0.0061 -0.0013 228 ARG 17 NH1 -0.0048 0.0061 -0.0013 229 ARG 17 NH2 -0.0049 0.0071 -0.0021 230 ARG 17 H -0.0062 0.0020 0.0022 231 ARG 17 HA -0.0044 0.0008 0.0031 232 ARG 17 HB3 -0.0053 0.0035 0.0009 233 ARG 17 HB2 -0.0065 0.0024 0.0019 234 ARG 17 HG3 -0.0043 0.0020 0.0021 235 ARG 17 HG2 -0.0031 0.0030 0.0012 236 ARG 17 HD3 -0.0063 0.0036 0.0008 237 ARG 17 HD2 -0.0044 0.0039 0.0005 238 ARG 17 HE -0.0051 0.0050 -0.0003 239 ARG 17 HH12 -0.0047 0.0069 -0.0020 240 ARG 17 HH11 -0.0048 0.0053 -0.0006 241 ARG 17 HH22 -0.0048 0.0079 -0.0028 242 ARG 17 HH21 -0.0050 0.0070 -0.0021 243 TYR 18 N -0.0017 0.0014 0.0026 244 TYR 18 CA -0.0001 0.0017 0.0023 245 TYR 18 C 0.0008 0.0022 0.0018 246 TYR 18 O 0.0003 0.0020 0.0020 247 TYR 18 CB 0.0008 0.0005 0.0033 248 TYR 18 CG 0.0002 0.0000 0.0037 249 TYR 18 CD1 -0.0011 -0.0007 0.0043 250 TYR 18 CD2 0.0010 0.0003 0.0034 251 TYR 18 CE1 -0.0016 -0.0011 0.0047 252 TYR 18 CE2 0.0004 -0.0001 0.0038 253 TYR 18 CZ -0.0009 -0.0009 0.0045 254 TYR 18 OH -0.0014 -0.0013 0.0049 255 TYR 18 H -0.0019 0.0007 0.0032 256 TYR 18 HA -0.0001 0.0023 0.0018 257 TYR 18 HB3 0.0020 0.0007 0.0031 258 TYR 18 HB2 0.0007 -0.0002 0.0038 259 TYR 18 HD1 -0.0017 -0.0009 0.0046 260 TYR 18 HD2 0.0020 0.0009 0.0029 261 TYR 18 HE1 -0.0027 -0.0017 0.0053 262 TYR 18 HE2 0.0010 0.0001 0.0036 263 TYR 18 HH -0.0023 -0.0018 0.0053 264 PRO 19 N -0.0030 -0.0071 -0.0031 265 PRO 19 CA -0.0024 -0.0081 -0.0033 266 PRO 19 C -0.0021 -0.0080 -0.0030 267 PRO 19 O -0.0026 -0.0074 -0.0029 268 PRO 19 CB -0.0031 -0.0088 -0.0042 269 PRO 19 CG -0.0041 -0.0080 -0.0044 270 PRO 19 CD -0.0041 -0.0071 -0.0038 271 PRO 19 HA -0.0018 -0.0085 -0.0030 272 PRO 19 HB3 -0.0030 -0.0092 -0.0044 273 PRO 19 HB2 -0.0030 -0.0093 -0.0044 274 PRO 19 HG3 -0.0046 -0.0083 -0.0050 275 PRO 19 HG2 -0.0043 -0.0079 -0.0045 276 PRO 19 HD2 -0.0045 -0.0064 -0.0037 277 PRO 19 HD3 -0.0042 -0.0071 -0.0040 278 LEU 20 N -0.0012 -0.0087 -0.0027 279 LEU 20 CA -0.0009 -0.0088 -0.0025 280 LEU 20 C -0.0001 -0.0098 -0.0026 281 LEU 20 O 0.0007 -0.0101 -0.0022 282 LEU 20 CB -0.0004 -0.0079 -0.0016 283 LEU 20 CG 0.0001 -0.0080 -0.0014 284 LEU 20 CD1 -0.0007 -0.0079 -0.0018 285 LEU 20 CD2 0.0007 -0.0073 -0.0004 286 LEU 20 H -0.0008 -0.0092 -0.0027 287 LEU 20 HA -0.0015 -0.0087 -0.0029 288 LEU 20 HB3 0.0001 -0.0079 -0.0012 289 LEU 20 HB2 -0.0010 -0.0072 -0.0016 290 LEU 20 HG 0.0006 -0.0088 -0.0015 291 LEU 20 HD11 -0.0003 -0.0080 -0.0016 292 LEU 20 HD12 -0.0011 -0.0085 -0.0025 293 LEU 20 HD13 -0.0012 -0.0071 -0.0017 294 LEU 20 HD21 0.0010 -0.0074 -0.0003 295 LEU 20 HD22 0.0002 -0.0065 -0.0003 296 LEU 20 HD23 0.0013 -0.0075 -0.0001 297 THR 21 N 0.0047 -0.0178 -0.0006 298 THR 21 CA 0.0054 -0.0168 -0.0012 299 THR 21 C 0.0060 -0.0148 -0.0012 300 THR 21 O 0.0056 -0.0140 0.0001 301 THR 21 CB 0.0049 -0.0168 -0.0003 302 THR 21 OG1 0.0044 -0.0186 -0.0005 303 THR 21 CG2 0.0056 -0.0156 -0.0010 304 THR 21 H 0.0040 -0.0179 0.0007 305 THR 21 HA 0.0059 -0.0173 -0.0025 306 THR 21 HB 0.0044 -0.0163 0.0010 307 THR 21 HG1 0.0049 -0.0190 -0.0016 308 THR 21 HG21 0.0053 -0.0156 -0.0003 309 THR 21 HG22 0.0060 -0.0142 -0.0009 310 THR 21 HG23 0.0061 -0.0161 -0.0023 311 VAL 22 N 0.0069 -0.0142 -0.0026 312 VAL 22 CA 0.0076 -0.0123 -0.0028 313 VAL 22 C 0.0079 -0.0113 -0.0027 314 VAL 22 O 0.0083 -0.0118 -0.0038 315 VAL 22 CB 0.0085 -0.0121 -0.0044 316 VAL 22 CG1 0.0092 -0.0102 -0.0047 317 VAL 22 CG2 0.0082 -0.0129 -0.0043 318 VAL 22 H 0.0072 -0.0149 -0.0037 319 VAL 22 HA 0.0072 -0.0118 -0.0017 320 VAL 22 HB 0.0087 -0.0129 -0.0054 321 VAL 22 HG11 0.0099 -0.0101 -0.0058 322 VAL 22 HG12 0.0095 -0.0097 -0.0048 323 VAL 22 HG13 0.0090 -0.0094 -0.0036 324 VAL 22 HG21 0.0088 -0.0127 -0.0054 325 VAL 22 HG22 0.0079 -0.0121 -0.0032 326 VAL 22 HG23 0.0076 -0.0143 -0.0041 327 ASP 23 N 0.0128 -0.0102 0.0023 328 ASP 23 CA 0.0107 -0.0074 0.0041 329 ASP 23 C 0.0092 -0.0041 0.0013 330 ASP 23 O 0.0085 -0.0026 0.0004 331 ASP 23 CB 0.0096 -0.0068 0.0080 332 ASP 23 CG 0.0075 -0.0040 0.0102 333 ASP 23 OD1 0.0059 -0.0010 0.0087 334 ASP 23 OD2 0.0075 -0.0049 0.0135 335 ASP 23 H 0.0129 -0.0102 0.0019 336 ASP 23 HA 0.0110 -0.0080 0.0049 337 ASP 23 HB3 0.0093 -0.0060 0.0073 338 ASP 23 HB2 0.0107 -0.0092 0.0099 339 PHE 24 N 0.0088 -0.0030 -0.0001 340 PHE 24 CA 0.0075 -0.0000 -0.0031 341 PHE 24 C 0.0052 0.0034 -0.0015 342 PHE 24 O 0.0042 0.0055 -0.0037 343 PHE 24 CB 0.0076 0.0003 -0.0048 344 PHE 24 CG 0.0099 -0.0026 -0.0072 345 PHE 24 CD1 0.0109 -0.0034 -0.0104 346 PHE 24 CD2 0.0109 -0.0046 -0.0061 347 PHE 24 CE1 0.0130 -0.0061 -0.0126 348 PHE 24 CE2 0.0130 -0.0073 -0.0083 349 PHE 24 CZ 0.0140 -0.0081 -0.0115 350 PHE 24 H 0.0093 -0.0041 0.0008 351 PHE 24 HA 0.0083 -0.0005 -0.0055 352 PHE 24 HB3 0.0065 0.0028 -0.0067 353 PHE 24 HB2 0.0071 0.0005 -0.0024 354 PHE 24 HD1 0.0102 -0.0019 -0.0113 355 PHE 24 HD2 0.0101 -0.0040 -0.0036 356 PHE 24 HE1 0.0138 -0.0067 -0.0151 357 PHE 24 HE2 0.0138 -0.0089 -0.0075 358 PHE 24 HZ 0.0156 -0.0102 -0.0132 359 GLU 25 N 0.0044 0.0083 0.0024 360 GLU 25 CA 0.0022 0.0134 0.0055 361 GLU 25 C 0.0021 0.0131 0.0075 362 GLU 25 O 0.0006 0.0173 0.0072 363 GLU 25 CB 0.0012 0.0144 0.0110 364 GLU 25 CG 0.0017 0.0132 0.0106 365 GLU 25 CD 0.0006 0.0144 0.0164 366 GLU 25 OE1 0.0012 0.0113 0.0209 367 GLU 25 OE2 -0.0009 0.0185 0.0164 368 GLU 25 H 0.0052 0.0055 0.0044 369 GLU 25 HA 0.0013 0.0170 0.0024 370 GLU 25 HB3 -0.0005 0.0188 0.0123 371 GLU 25 HB2 0.0016 0.0121 0.0149 372 GLU 25 HG3 0.0034 0.0087 0.0096 373 GLU 25 HG2 0.0012 0.0157 0.0069 374 ALA 26 N 0.0037 0.0080 0.0094 375 ALA 26 CA 0.0038 0.0072 0.0114 376 ALA 26 C 0.0042 0.0078 0.0061 377 ALA 26 O 0.0041 0.0077 0.0069 378 ALA 26 CB 0.0055 0.0014 0.0145 379 ALA 26 H 0.0049 0.0047 0.0096 380 ALA 26 HA 0.0023 0.0104 0.0146 381 ALA 26 HB1 0.0056 0.0008 0.0160 382 ALA 26 HB2 0.0052 0.0011 0.0184 383 ALA 26 HB3 0.0071 -0.0019 0.0114 384 PHE 27 N 0.0031 0.0074 0.0013 385 PHE 27 CA 0.0026 0.0080 -0.0039 386 PHE 27 C -0.0002 0.0135 -0.0052 387 PHE 27 O -0.0012 0.0151 -0.0085 388 PHE 27 CB 0.0038 0.0051 -0.0086 389 PHE 27 CG 0.0066 -0.0004 -0.0080 390 PHE 27 CD1 0.0079 -0.0026 -0.0036 391 PHE 27 CD2 0.0079 -0.0034 -0.0118 392 PHE 27 CE1 0.0105 -0.0077 -0.0030 393 PHE 27 CE2 0.0105 -0.0085 -0.0113 394 PHE 27 CZ 0.0118 -0.0107 -0.0069 395 PHE 27 H 0.0031 0.0075 0.0013 396 PHE 27 HA 0.0033 0.0066 -0.0035 397 PHE 27 HB3 0.0031 0.0061 -0.0125 398 PHE 27 HB2 0.0031 0.0064 -0.0089 399 PHE 27 HD1 0.0069 -0.0003 -0.0005 400 PHE 27 HD2 0.0069 -0.0018 -0.0153 401 PHE 27 HE1 0.0115 -0.0094 0.0004 402 PHE 27 HE2 0.0115 -0.0108 -0.0143 403 PHE 27 HZ 0.0138 -0.0147 -0.0065 404 GLY 28 N -0.0016 0.0165 -0.0024 405 GLY 28 CA -0.0043 0.0218 -0.0031 406 GLY 28 C -0.0054 0.0236 -0.0072 407 GLY 28 O -0.0076 0.0280 -0.0084 408 GLY 28 H -0.0007 0.0150 0.0002 409 GLY 28 HA3 -0.0050 0.0230 -0.0044 410 GLY 28 HA2 -0.0050 0.0236 0.0009 411 TRP 29 N -0.0100 0.0174 -0.0086 412 TRP 29 CA -0.0096 0.0179 -0.0119 413 TRP 29 C -0.0118 0.0190 -0.0081 414 TRP 29 O -0.0095 0.0160 -0.0052 415 TRP 29 CB -0.0046 0.0138 -0.0144 416 TRP 29 CG -0.0022 0.0126 -0.0184 417 TRP 29 CD1 -0.0040 0.0149 -0.0202 418 TRP 29 CD2 0.0026 0.0088 -0.0211 419 TRP 29 NE1 -0.0007 0.0127 -0.0238 420 TRP 29 CE2 0.0034 0.0090 -0.0244 421 TRP 29 CE3 0.0062 0.0053 -0.0210 422 TRP 29 CZ2 0.0077 0.0058 -0.0277 423 TRP 29 CZ3 0.0104 0.0021 -0.0242 424 TRP 29 CH2 0.0111 0.0023 -0.0275 425 TRP 29 H -0.0073 0.0143 -0.0071 426 TRP 29 HA -0.0113 0.0207 -0.0158 427 TRP 29 HB3 -0.0043 0.0143 -0.0169 428 TRP 29 HB2 -0.0028 0.0111 -0.0106 429 TRP 29 HD1 -0.0076 0.0179 -0.0187 430 TRP 29 HE1 -0.0015 0.0140 -0.0255 431 TRP 29 HE3 0.0056 0.0051 -0.0185 432 TRP 29 HZ2 0.0081 0.0060 -0.0302 433 TRP 29 HZ3 0.0133 -0.0007 -0.0242 434 TRP 29 HH2 0.0145 -0.0002 -0.0300 435 ASP 30 N -0.0161 0.0232 -0.0083 436 ASP 30 CA -0.0186 0.0246 -0.0046 437 ASP 30 C -0.0172 0.0240 -0.0073 438 ASP 30 O -0.0183 0.0242 -0.0043 439 ASP 30 CB -0.0238 0.0294 -0.0041 440 ASP 30 CG -0.0252 0.0326 -0.0103 441 ASP 30 OD1 -0.0230 0.0317 -0.0146 442 ASP 30 OD2 -0.0286 0.0360 -0.0107 443 ASP 30 H -0.0177 0.0255 -0.0109 444 ASP 30 HA -0.0178 0.0226 -0.0001 445 ASP 30 HB3 -0.0247 0.0298 -0.0021 446 ASP 30 HB2 -0.0256 0.0303 -0.0011 447 TRP 31 N -0.0160 0.0186 -0.0168 448 TRP 31 CA -0.0133 0.0177 -0.0181 449 TRP 31 C -0.0085 0.0135 -0.0152 450 TRP 31 O -0.0062 0.0122 -0.0152 451 TRP 31 CB -0.0112 0.0198 -0.0245 452 TRP 31 CG -0.0077 0.0193 -0.0274 453 TRP 31 CD1 -0.0094 0.0213 -0.0294 454 TRP 31 CD2 -0.0018 0.0165 -0.0286 455 TRP 31 NE1 -0.0049 0.0200 -0.0319 456 TRP 31 CE2 -0.0001 0.0170 -0.0314 457 TRP 31 CE3 0.0023 0.0137 -0.0275 458 TRP 31 CZ2 0.0054 0.0148 -0.0331 459 TRP 31 CZ3 0.0078 0.0115 -0.0293 460 TRP 31 CH2 0.0093 0.0120 -0.0321 461 TRP 31 H -0.0152 0.0196 -0.0196 462 TRP 31 HA -0.0163 0.0187 -0.0166 463 TRP 31 HB3 -0.0147 0.0228 -0.0264 464 TRP 31 HB2 -0.0090 0.0190 -0.0253 465 TRP 31 HD1 -0.0137 0.0236 -0.0290 466 TRP 31 HE1 -0.0054 0.0212 -0.0336 467 TRP 31 HE3 0.0011 0.0132 -0.0254 468 TRP 31 HZ2 0.0064 0.0153 -0.0353 469 TRP 31 HZ3 0.0110 0.0092 -0.0285 470 TRP 31 HH2 0.0136 0.0102 -0.0334 471 ILE 32 N -0.0070 0.0113 -0.0127 472 ILE 32 CA -0.0032 0.0073 -0.0089 473 ILE 32 C -0.0064 0.0060 -0.0028 474 ILE 32 O -0.0095 0.0066 -0.0006 475 ILE 32 CB 0.0008 0.0053 -0.0095 476 ILE 32 CG1 0.0052 0.0056 -0.0150 477 ILE 32 CG2 0.0037 0.0011 -0.0045 478 ILE 32 CD1 0.0080 0.0050 -0.0169 479 ILE 32 H -0.0084 0.0125 -0.0134 480 ILE 32 HA -0.0008 0.0065 -0.0100 481 ILE 32 HB -0.0014 0.0066 -0.0095 482 ILE 32 HG13 0.0033 0.0084 -0.0183 483 ILE 32 HG12 0.0083 0.0035 -0.0145 484 ILE 32 HG21 0.0065 -0.0003 -0.0050 485 ILE 32 HG22 0.0006 0.0009 -0.0006 486 ILE 32 HG23 0.0059 -0.0002 -0.0045 487 ILE 32 HD11 0.0110 0.0053 -0.0208 488 ILE 32 HD12 0.0049 0.0071 -0.0176 489 ILE 32 HD13 0.0100 0.0022 -0.0137 490 ILE 33 N -0.0017 0.0023 -0.0058 491 ILE 33 CA -0.0035 0.0012 -0.0026 492 ILE 33 C -0.0008 0.0010 -0.0007 493 ILE 33 O -0.0019 0.0006 0.0002 494 ILE 33 CB -0.0046 0.0003 0.0002 495 ILE 33 CG1 -0.0075 0.0005 -0.0016 496 ILE 33 CG2 -0.0063 -0.0009 0.0037 497 ILE 33 CD1 -0.0080 -0.0002 0.0004 498 ILE 33 H -0.0003 0.0024 -0.0054 499 ILE 33 HA -0.0061 0.0012 -0.0035 500 ILE 33 HB -0.0021 0.0003 0.0011 501 ILE 33 HG13 -0.0067 0.0014 -0.0044 502 ILE 33 HG12 -0.0103 0.0003 -0.0020 503 ILE 33 HG21 -0.0071 -0.0015 0.0056 504 ILE 33 HG22 -0.0041 -0.0010 0.0050 505 ILE 33 HG23 -0.0088 -0.0010 0.0029 506 ILE 33 HD11 -0.0101 0.0000 -0.0011 507 ILE 33 HD12 -0.0053 0.0001 0.0007 508 ILE 33 HD13 -0.0090 -0.0011 0.0032 509 ALA 34 N 0.0028 0.0012 -0.0000 510 ALA 34 CA 0.0057 0.0010 0.0018 511 ALA 34 C 0.0097 0.0018 0.0007 512 ALA 34 O 0.0104 0.0020 0.0002 513 ALA 34 CB 0.0054 -0.0002 0.0060 514 ALA 34 H 0.0036 0.0015 -0.0007 515 ALA 34 HA 0.0053 0.0013 0.0008 516 ALA 34 HB1 0.0076 -0.0003 0.0072 517 ALA 34 HB2 0.0025 -0.0007 0.0067 518 ALA 34 HB3 0.0058 -0.0005 0.0070 519 PRO 35 N 0.0118 -0.0033 -0.0015 520 PRO 35 CA 0.0117 -0.0038 0.0020 521 PRO 35 C 0.0102 -0.0025 0.0008 522 PRO 35 O 0.0100 -0.0016 -0.0029 523 PRO 35 CB 0.0153 -0.0069 0.0027 524 PRO 35 CG 0.0171 -0.0076 -0.0016 525 PRO 35 CD 0.0151 -0.0057 -0.0037 526 PRO 35 HA 0.0103 -0.0031 0.0048 527 PRO 35 HB3 0.0160 -0.0078 0.0048 528 PRO 35 HB2 0.0157 -0.0074 0.0037 529 PRO 35 HG3 0.0196 -0.0097 -0.0012 530 PRO 35 HG2 0.0171 -0.0074 -0.0033 531 PRO 35 HD2 0.0151 -0.0051 -0.0070 532 PRO 35 HD3 0.0161 -0.0065 -0.0031 533 LYS 36 N 0.0093 -0.0022 0.0040 534 LYS 36 CA 0.0080 -0.0010 0.0032 535 LYS 36 C 0.0107 -0.0030 0.0018 536 LYS 36 O 0.0102 -0.0023 -0.0004 537 LYS 36 CB 0.0060 -0.0000 0.0071 538 LYS 36 CG 0.0031 0.0020 0.0087 539 LYS 36 CD 0.0004 0.0047 0.0058 540 LYS 36 CE -0.0025 0.0068 0.0073 541 LYS 36 NZ -0.0046 0.0090 0.0038 542 LYS 36 H 0.0095 -0.0029 0.0070 543 LYS 36 HA 0.0063 0.0007 0.0007 544 LYS 36 HB3 0.0051 0.0008 0.0065 545 LYS 36 HB2 0.0076 -0.0018 0.0096 546 LYS 36 HG3 0.0021 0.0023 0.0118 547 LYS 36 HG2 0.0039 0.0013 0.0090 548 LYS 36 HD3 0.0014 0.0044 0.0026 549 LYS 36 HD2 -0.0004 0.0054 0.0055 550 LYS 36 HE3 -0.0040 0.0076 0.0098 551 LYS 36 HE2 -0.0016 0.0059 0.0085 552 LYS 36 HZ1 -0.0032 0.0083 0.0015 553 LYS 36 HZ2 -0.0065 0.0104 0.0049 554 LYS 36 HZ3 -0.0054 0.0099 0.0027 555 ARG 37 N 0.0118 -0.0049 -0.0004 556 ARG 37 CA 0.0111 -0.0070 0.0006 557 ARG 37 C 0.0110 -0.0098 -0.0011 558 ARG 37 O 0.0114 -0.0103 -0.0026 559 ARG 37 CB 0.0100 -0.0075 0.0038 560 ARG 37 CG 0.0094 -0.0096 0.0044 561 ARG 37 CD 0.0083 -0.0100 0.0075 562 ARG 37 NE 0.0083 -0.0072 0.0092 563 ARG 37 CZ 0.0086 -0.0052 0.0095 564 ARG 37 NH1 0.0089 -0.0057 0.0083 565 ARG 37 NH2 0.0087 -0.0028 0.0111 566 ARG 37 H 0.0120 -0.0056 -0.0014 567 ARG 37 HA 0.0113 -0.0062 0.0003 568 ARG 37 HB3 0.0101 -0.0054 0.0049 569 ARG 37 HB2 0.0095 -0.0082 0.0047 570 ARG 37 HG3 0.0093 -0.0117 0.0033 571 ARG 37 HG2 0.0098 -0.0088 0.0036 572 ARG 37 HD3 0.0078 -0.0115 0.0082 573 ARG 37 HD2 0.0079 -0.0110 0.0080 574 ARG 37 HE 0.0081 -0.0069 0.0102 575 ARG 37 HH12 0.0092 -0.0042 0.0085 576 ARG 37 HH11 0.0089 -0.0076 0.0071 577 ARG 37 HH22 0.0089 -0.0013 0.0113 578 ARG 37 HH21 0.0084 -0.0024 0.0120 579 TYR 38 N 0.0106 -0.0117 -0.0010 580 TYR 38 CA 0.0106 -0.0145 -0.0026 581 TYR 38 C 0.0098 -0.0166 -0.0016 582 TYR 38 O 0.0095 -0.0157 0.0000 583 TYR 38 CB 0.0116 -0.0140 -0.0058 584 TYR 38 CG 0.0120 -0.0138 -0.0066 585 TYR 38 CD1 0.0123 -0.0113 -0.0060 586 TYR 38 CD2 0.0119 -0.0161 -0.0080 587 TYR 38 CE1 0.0126 -0.0110 -0.0068 588 TYR 38 CE2 0.0122 -0.0160 -0.0088 589 TYR 38 CZ 0.0125 -0.0134 -0.0082 590 TYR 38 OH 0.0128 -0.0133 -0.0090 591 TYR 38 H 0.0103 -0.0113 0.0003 592 TYR 38 HA 0.0103 -0.0155 -0.0024 593 TYR 38 HB3 0.0122 -0.0121 -0.0064 594 TYR 38 HB2 0.0117 -0.0158 -0.0071 595 TYR 38 HD1 0.0123 -0.0094 -0.0049 596 TYR 38 HD2 0.0117 -0.0182 -0.0085 597 TYR 38 HE1 0.0128 -0.0090 -0.0063 598 TYR 38 HE2 0.0122 -0.0178 -0.0099 599 TYR 38 HH 0.0128 -0.0150 -0.0100 600 LYS 39 N 0.0043 -0.0193 -0.0095 601 LYS 39 CA 0.0018 -0.0182 -0.0085 602 LYS 39 C 0.0040 -0.0163 -0.0076 603 LYS 39 O 0.0058 -0.0176 -0.0086 604 LYS 39 CB -0.0004 -0.0209 -0.0100 605 LYS 39 CG -0.0030 -0.0227 -0.0107 606 LYS 39 CD -0.0053 -0.0254 -0.0121 607 LYS 39 CE -0.0041 -0.0285 -0.0142 608 LYS 39 NZ -0.0003 -0.0292 -0.0151 609 LYS 39 H 0.0053 -0.0214 -0.0110 610 LYS 39 HA -0.0000 -0.0166 -0.0073 611 LYS 39 HB3 -0.0020 -0.0201 -0.0092 612 LYS 39 HB2 0.0014 -0.0226 -0.0112 613 LYS 39 HG3 -0.0015 -0.0235 -0.0115 614 LYS 39 HG2 -0.0049 -0.0210 -0.0094 615 LYS 39 HD3 -0.0082 -0.0252 -0.0116 616 LYS 39 HD2 -0.0049 -0.0252 -0.0120 617 LYS 39 HE3 -0.0042 -0.0286 -0.0143 618 LYS 39 HE2 -0.0061 -0.0304 -0.0151 619 LYS 39 HZ1 0.0014 -0.0273 -0.0142 620 LYS 39 HZ2 -0.0004 -0.0296 -0.0154 621 LYS 39 HZ3 0.0005 -0.0310 -0.0164 622 ALA 40 N 0.0038 -0.0132 -0.0056 623 ALA 40 CA 0.0057 -0.0111 -0.0046 624 ALA 40 C 0.0034 -0.0105 -0.0039 625 ALA 40 O 0.0048 -0.0101 -0.0038 626 ALA 40 CB 0.0070 -0.0080 -0.0028 627 ALA 40 H 0.0022 -0.0122 -0.0048 628 ALA 40 HA 0.0082 -0.0122 -0.0056 629 ALA 40 HB1 0.0085 -0.0065 -0.0021 630 ALA 40 HB2 0.0088 -0.0085 -0.0034 631 ALA 40 HB3 0.0046 -0.0069 -0.0018 632 ASN 41 N 0.0007 -0.0044 -0.0022 633 ASN 41 CA -0.0004 -0.0033 -0.0020 634 ASN 41 C -0.0005 -0.0029 -0.0004 635 ASN 41 O 0.0003 -0.0035 0.0005 636 ASN 41 CB -0.0012 -0.0026 -0.0022 637 ASN 41 CG -0.0010 -0.0030 -0.0037 638 ASN 41 OD1 -0.0012 -0.0030 -0.0049 639 ASN 41 ND2 -0.0007 -0.0033 -0.0035 640 ASN 41 H 0.0011 -0.0048 -0.0030 641 ASN 41 HA -0.0007 -0.0032 -0.0028 642 ASN 41 HB3 -0.0020 -0.0018 -0.0023 643 ASN 41 HB2 -0.0011 -0.0026 -0.0013 644 ASN 41 HD22 -0.0006 -0.0035 -0.0045 645 ASN 41 HD21 -0.0006 -0.0032 -0.0025 646 TYR 42 N -0.0015 -0.0020 -0.0002 647 TYR 42 CA -0.0016 -0.0016 0.0012 648 TYR 42 C -0.0029 -0.0004 0.0014 649 TYR 42 O -0.0036 0.0000 0.0003 650 TYR 42 CB -0.0011 -0.0020 0.0015 651 TYR 42 CG -0.0017 -0.0017 0.0005 652 TYR 42 CD1 -0.0015 -0.0021 -0.0010 653 TYR 42 CD2 -0.0023 -0.0010 0.0010 654 TYR 42 CE1 -0.0020 -0.0018 -0.0019 655 TYR 42 CE2 -0.0028 -0.0007 0.0001 656 TYR 42 CZ -0.0027 -0.0011 -0.0014 657 TYR 42 OH -0.0032 -0.0008 -0.0023 658 TYR 42 H -0.0021 -0.0016 -0.0011 659 TYR 42 HA -0.0013 -0.0018 0.0021 660 TYR 42 HB3 -0.0002 -0.0029 0.0013 661 TYR 42 HB2 -0.0011 -0.0018 0.0026 662 TYR 42 HD1 -0.0010 -0.0027 -0.0015 663 TYR 42 HD2 -0.0025 -0.0006 0.0022 664 TYR 42 HE1 -0.0018 -0.0021 -0.0031 665 TYR 42 HE2 -0.0034 -0.0001 0.0006 666 TYR 42 HH -0.0033 -0.0005 -0.0017 667 CYS 43 N -0.0023 0.0083 0.0020 668 CYS 43 CA -0.0024 0.0071 0.0021 669 CYS 43 C -0.0024 0.0067 0.0030 670 CYS 43 O -0.0023 0.0072 0.0032 671 CYS 43 CB -0.0027 0.0067 0.0010 672 CYS 43 SG -0.0028 0.0071 -0.0001 673 CYS 43 H -0.0022 0.0087 0.0017 674 CYS 43 HA -0.0025 0.0067 0.0022 675 CYS 43 HB3 -0.0028 0.0058 0.0010 676 CYS 43 HB2 -0.0026 0.0070 0.0008 677 SER 44 N -0.0024 0.0058 0.0035 678 SER 44 CA -0.0024 0.0053 0.0044 679 SER 44 C -0.0025 0.0041 0.0045 680 SER 44 O -0.0026 0.0038 0.0045 681 SER 44 CB -0.0021 0.0059 0.0054 682 SER 44 OG -0.0021 0.0054 0.0062 683 SER 44 H -0.0025 0.0054 0.0033 684 SER 44 HA -0.0024 0.0054 0.0041 685 SER 44 HB3 -0.0021 0.0059 0.0057 686 SER 44 HB2 -0.0020 0.0068 0.0053 687 SER 44 HG -0.0020 0.0058 0.0063 688 GLY 45 N -0.0029 0.0148 0.0100 689 GLY 45 CA -0.0035 0.0088 0.0111 690 GLY 45 C -0.0003 0.0098 0.0073 691 GLY 45 O 0.0030 0.0145 0.0032 692 GLY 45 H -0.0024 0.0202 0.0090 693 GLY 45 HA3 -0.0025 0.0032 0.0104 694 GLY 45 HA2 -0.0074 0.0087 0.0157 695 GLN 46 N -0.0011 0.0051 0.0086 696 GLN 46 CA 0.0017 0.0057 0.0054 697 GLN 46 C 0.0069 0.0017 -0.0004 698 GLN 46 O 0.0078 -0.0039 -0.0010 699 GLN 46 CB -0.0013 0.0024 0.0091 700 GLN 46 CG -0.0066 0.0061 0.0150 701 GLN 46 CD -0.0066 0.0147 0.0143 702 GLN 46 OE1 -0.0045 0.0172 0.0116 703 GLN 46 NE2 -0.0089 0.0192 0.0166 704 GLN 46 H -0.0036 0.0010 0.0118 705 GLN 46 HA 0.0021 0.0118 0.0044 706 GLN 46 HB3 0.0007 0.0030 0.0066 707 GLN 46 HB2 -0.0015 -0.0038 0.0098 708 GLN 46 HG3 -0.0085 0.0034 0.0173 709 GLN 46 HG2 -0.0088 0.0051 0.0176 710 GLN 46 HE22 -0.0091 0.0250 0.0163 711 GLN 46 HE21 -0.0106 0.0169 0.0188 712 CYS 47 N 0.0085 0.0016 -0.0084 713 CYS 47 CA 0.0103 -0.0011 -0.0129 714 CYS 47 C 0.0123 -0.0049 -0.0154 715 CYS 47 O 0.0123 -0.0036 -0.0193 716 CYS 47 CB 0.0091 0.0029 -0.0175 717 CYS 47 SG 0.0071 0.0066 -0.0151 718 CYS 47 H 0.0078 0.0034 -0.0093 719 CYS 47 HA 0.0110 -0.0032 -0.0111 720 CYS 47 HB3 0.0105 0.0008 -0.0212 721 CYS 47 HB2 0.0081 0.0055 -0.0189 722 GLU 48 N 0.0142 -0.0096 -0.0129 723 GLU 48 CA 0.0162 -0.0136 -0.0149 724 GLU 48 C 0.0185 -0.0179 -0.0175 725 GLU 48 O 0.0186 -0.0183 -0.0166 726 GLU 48 CB 0.0167 -0.0161 -0.0100 727 GLU 48 CG 0.0148 -0.0126 -0.0076 728 GLU 48 CD 0.0147 -0.0141 -0.0015 729 GLU 48 OE1 0.0164 -0.0184 0.0005 730 GLU 48 OE2 0.0129 -0.0110 0.0014 731 GLU 48 H 0.0141 -0.0105 -0.0096 732 GLU 48 HA 0.0158 -0.0119 -0.0180 733 GLU 48 HB3 0.0185 -0.0196 -0.0114 734 GLU 48 HB2 0.0169 -0.0175 -0.0066 735 GLU 48 HG3 0.0130 -0.0086 -0.0079 736 GLU 48 HG2 0.0152 -0.0127 -0.0101 737 TYR 49 N 0.0192 -0.0276 -0.0223 738 TYR 49 CA 0.0193 -0.0286 -0.0230 739 TYR 49 C 0.0112 -0.0232 -0.0238 740 TYR 49 O 0.0043 -0.0230 -0.0278 741 TYR 49 CB 0.0273 -0.0272 -0.0171 742 TYR 49 CG 0.0293 -0.0292 -0.0174 743 TYR 49 CD1 0.0305 -0.0368 -0.0224 744 TYR 49 CD2 0.0301 -0.0235 -0.0126 745 TYR 49 CE1 0.0324 -0.0386 -0.0226 746 TYR 49 CE2 0.0320 -0.0254 -0.0129 747 TYR 49 CZ 0.0331 -0.0329 -0.0179 748 TYR 49 OH 0.0350 -0.0348 -0.0182 749 TYR 49 H 0.0196 -0.0323 -0.0256 750 TYR 49 HA 0.0197 -0.0347 -0.0274 751 TYR 49 HB3 0.0269 -0.0210 -0.0127 752 TYR 49 HB2 0.0327 -0.0303 -0.0161 753 TYR 49 HD1 0.0300 -0.0413 -0.0261 754 TYR 49 HD2 0.0293 -0.0176 -0.0086 755 TYR 49 HE1 0.0333 -0.0446 -0.0266 756 TYR 49 HE2 0.0326 -0.0209 -0.0091 757 TYR 49 HH 0.0356 -0.0403 -0.0219 758 MET 50 N 0.0121 -0.0186 -0.0198 759 MET 50 CA 0.0049 -0.0131 -0.0199 760 MET 50 C 0.0049 -0.0047 -0.0136 761 MET 50 O -0.0000 0.0008 -0.0125 762 MET 50 CB 0.0052 -0.0150 -0.0211 763 MET 50 CG 0.0058 -0.0234 -0.0272 764 MET 50 SD 0.0068 -0.0251 -0.0279 765 MET 50 CE -0.0033 -0.0189 -0.0293 766 MET 50 H 0.0179 -0.0187 -0.0164 767 MET 50 HA -0.0009 -0.0137 -0.0239 768 MET 50 HB3 -0.0003 -0.0110 -0.0215 769 MET 50 HB2 0.0106 -0.0136 -0.0169 770 MET 50 HG3 0.0113 -0.0274 -0.0269 771 MET 50 HG2 0.0002 -0.0246 -0.0315 772 MET 50 HE1 -0.0038 -0.0193 -0.0299 773 MET 50 HE2 -0.0040 -0.0128 -0.0251 774 MET 50 HE3 -0.0082 -0.0208 -0.0337 775 PHE 51 N 0.0167 -0.0236 -0.0213 776 PHE 51 CA 0.0156 -0.0211 -0.0160 777 PHE 51 C 0.0122 -0.0155 -0.0172 778 PHE 51 O 0.0102 -0.0124 -0.0205 779 PHE 51 CB 0.0158 -0.0208 -0.0104 780 PHE 51 CG 0.0191 -0.0262 -0.0085 781 PHE 51 CD1 0.0217 -0.0305 -0.0079 782 PHE 51 CD2 0.0196 -0.0270 -0.0073 783 PHE 51 CE1 0.0247 -0.0355 -0.0062 784 PHE 51 CE2 0.0226 -0.0320 -0.0056 785 PHE 51 CZ 0.0252 -0.0362 -0.0050 786 PHE 51 H 0.0173 -0.0245 -0.0209 787 PHE 51 HA 0.0172 -0.0237 -0.0148 788 PHE 51 HB3 0.0149 -0.0188 -0.0064 789 PHE 51 HB2 0.0142 -0.0182 -0.0114 790 PHE 51 HD1 0.0213 -0.0300 -0.0088 791 PHE 51 HD2 0.0177 -0.0237 -0.0077 792 PHE 51 HE1 0.0267 -0.0388 -0.0057 793 PHE 51 HE2 0.0230 -0.0325 -0.0047 794 PHE 51 HZ 0.0275 -0.0401 -0.0037 795 MET 52 N 0.0117 -0.0143 -0.0147 796 MET 52 CA 0.0085 -0.0089 -0.0147 797 MET 52 C 0.0069 -0.0067 -0.0212 798 MET 52 O 0.0040 -0.0019 -0.0221 799 MET 52 CB 0.0065 -0.0048 -0.0109 800 MET 52 CG 0.0080 -0.0068 -0.0046 801 MET 52 SD 0.0092 -0.0083 0.0005 802 MET 52 CE 0.0054 -0.0016 0.0026 803 MET 52 H 0.0135 -0.0172 -0.0127 804 MET 52 HA 0.0088 -0.0090 -0.0125 805 MET 52 HB3 0.0043 -0.0011 -0.0101 806 MET 52 HB2 0.0056 -0.0037 -0.0136 807 MET 52 HG3 0.0064 -0.0037 -0.0024 808 MET 52 HG2 0.0101 -0.0104 -0.0053 809 MET 52 HE1 0.0057 -0.0017 0.0058 810 MET 52 HE2 0.0043 0.0006 0.0049 811 MET 52 HE3 0.0039 0.0005 -0.0016 812 GLN 53 N 0.0050 -0.0027 -0.0281 813 GLN 53 CA 0.0041 -0.0031 -0.0281 814 GLN 53 C 0.0030 -0.0021 -0.0293 815 GLN 53 O 0.0022 -0.0016 -0.0299 816 GLN 53 CB 0.0031 -0.0045 -0.0273 817 GLN 53 CG 0.0042 -0.0056 -0.0261 818 GLN 53 CD 0.0033 -0.0070 -0.0253 819 GLN 53 OE1 0.0018 -0.0073 -0.0256 820 GLN 53 NE2 0.0041 -0.0079 -0.0244 821 GLN 53 H 0.0044 -0.0029 -0.0282 822 GLN 53 HA 0.0050 -0.0030 -0.0279 823 GLN 53 HB3 0.0022 -0.0047 -0.0275 824 GLN 53 HB2 0.0024 -0.0046 -0.0275 825 GLN 53 HG3 0.0051 -0.0054 -0.0260 826 GLN 53 HG2 0.0049 -0.0055 -0.0260 827 GLN 53 HE22 0.0035 -0.0089 -0.0238 828 GLN 53 HE21 0.0053 -0.0076 -0.0242 829 LYS 54 N 0.0029 -0.0018 -0.0295 830 LYS 54 CA 0.0019 -0.0008 -0.0306 831 LYS 54 C 0.0003 -0.0015 -0.0306 832 LYS 54 O -0.0010 -0.0011 -0.0313 833 LYS 54 CB 0.0030 0.0002 -0.0311 834 LYS 54 CG 0.0021 0.0011 -0.0321 835 LYS 54 CD 0.0032 0.0020 -0.0324 836 LYS 54 CE 0.0025 0.0031 -0.0335 837 LYS 54 NZ 0.0035 0.0038 -0.0336 838 LYS 54 H 0.0034 -0.0022 -0.0290 839 LYS 54 HA 0.0017 -0.0002 -0.0312 840 LYS 54 HB3 0.0036 -0.0003 -0.0304 841 LYS 54 HB2 0.0040 0.0009 -0.0312 842 LYS 54 HG3 0.0015 0.0018 -0.0327 843 LYS 54 HG2 0.0011 0.0005 -0.0319 844 LYS 54 HD3 0.0036 0.0014 -0.0318 845 LYS 54 HD2 0.0044 0.0024 -0.0323 846 LYS 54 HE3 0.0025 0.0039 -0.0341 847 LYS 54 HE2 0.0013 0.0027 -0.0336 848 LYS 54 HZ1 0.0047 0.0038 -0.0333 849 LYS 54 HZ2 0.0032 0.0031 -0.0333 850 LYS 54 HZ3 0.0032 0.0047 -0.0344 851 TYR 55 N -0.0051 0.0025 -0.0193 852 TYR 55 CA -0.0066 0.0021 -0.0172 853 TYR 55 C -0.0076 0.0020 -0.0159 854 TYR 55 O -0.0067 0.0013 -0.0161 855 TYR 55 CB -0.0056 0.0002 -0.0160 856 TYR 55 CG -0.0048 0.0003 -0.0169 857 TYR 55 CD1 -0.0061 0.0018 -0.0174 858 TYR 55 CD2 -0.0029 -0.0012 -0.0173 859 TYR 55 CE1 -0.0055 0.0019 -0.0182 860 TYR 55 CE2 -0.0023 -0.0011 -0.0181 861 TYR 55 CZ -0.0035 0.0004 -0.0185 862 TYR 55 OH -0.0029 0.0005 -0.0193 863 TYR 55 H -0.0037 0.0014 -0.0195 864 TYR 55 HA -0.0077 0.0032 -0.0173 865 TYR 55 HB3 -0.0066 -0.0003 -0.0143 866 TYR 55 HB2 -0.0043 -0.0010 -0.0160 867 TYR 55 HD1 -0.0076 0.0030 -0.0171 868 TYR 55 HD2 -0.0019 -0.0024 -0.0169 869 TYR 55 HE1 -0.0065 0.0031 -0.0185 870 TYR 55 HE2 -0.0008 -0.0023 -0.0184 871 TYR 55 HH -0.0041 0.0014 -0.0192 872 PRO 56 N -0.0096 0.0029 -0.0148 873 PRO 56 CA -0.0109 0.0030 -0.0135 874 PRO 56 C -0.0103 0.0011 -0.0118 875 PRO 56 O -0.0108 0.0009 -0.0111 876 PRO 56 CB -0.0130 0.0042 -0.0126 877 PRO 56 CG -0.0127 0.0039 -0.0126 878 PRO 56 CD -0.0108 0.0038 -0.0145 879 PRO 56 HA -0.0108 0.0038 -0.0146 880 PRO 56 HB3 -0.0137 0.0057 -0.0136 881 PRO 56 HB2 -0.0138 0.0036 -0.0110 882 PRO 56 HG3 -0.0140 0.0052 -0.0127 883 PRO 56 HG2 -0.0125 0.0026 -0.0112 884 PRO 56 HD2 -0.0100 0.0028 -0.0141 885 PRO 56 HD3 -0.0112 0.0052 -0.0158 886 HIS 57 N -0.0069 0.0048 -0.0069 887 HIS 57 CA -0.0063 0.0021 -0.0049 888 HIS 57 C -0.0046 0.0011 -0.0061 889 HIS 57 O -0.0048 -0.0001 -0.0046 890 HIS 57 CB -0.0051 -0.0002 -0.0041 891 HIS 57 CG -0.0045 -0.0030 -0.0020 892 HIS 57 ND1 -0.0023 -0.0050 -0.0028 893 HIS 57 CD2 -0.0058 -0.0041 0.0010 894 HIS 57 CE1 -0.0023 -0.0072 -0.0005 895 HIS 57 NE2 -0.0044 -0.0067 0.0018 896 HIS 57 H -0.0065 0.0049 -0.0075 897 HIS 57 HA -0.0080 0.0024 -0.0029 898 HIS 57 HB3 -0.0035 -0.0005 -0.0060 899 HIS 57 HB2 -0.0064 0.0006 -0.0032 900 HIS 57 HD2 -0.0076 -0.0028 0.0022 901 HIS 57 HE1 -0.0007 -0.0091 -0.0008 902 HIS 57 HE2 -0.0050 -0.0079 0.0039 903 THR 58 N -0.0029 0.0015 -0.0090 904 THR 58 CA -0.0011 0.0007 -0.0105 905 THR 58 C -0.0024 0.0020 -0.0101 906 THR 58 O -0.0018 0.0005 -0.0094 907 THR 58 CB 0.0005 0.0016 -0.0138 908 THR 58 OG1 0.0018 0.0004 -0.0142 909 THR 58 CG2 0.0024 0.0007 -0.0153 910 THR 58 H -0.0027 0.0024 -0.0101 911 THR 58 HA -0.0000 -0.0016 -0.0096 912 THR 58 HB -0.0006 0.0039 -0.0147 913 THR 58 HG1 0.0033 -0.0014 -0.0143 914 THR 58 HG21 0.0035 0.0013 -0.0176 915 THR 58 HG22 0.0015 0.0016 -0.0151 916 THR 58 HG23 0.0035 -0.0017 -0.0144 917 HIS 59 N -0.0031 -0.0044 -0.0072 918 HIS 59 CA -0.0044 -0.0030 -0.0069 919 HIS 59 C -0.0052 -0.0034 -0.0044 920 HIS 59 O -0.0056 -0.0032 -0.0039 921 HIS 59 CB -0.0058 -0.0008 -0.0077 922 HIS 59 CG -0.0072 0.0008 -0.0074 923 HIS 59 ND1 -0.0089 0.0020 -0.0059 924 HIS 59 CD2 -0.0069 0.0013 -0.0087 925 HIS 59 CE1 -0.0096 0.0032 -0.0063 926 HIS 59 NE2 -0.0084 0.0027 -0.0081 927 HIS 59 H -0.0033 -0.0039 -0.0077 928 HIS 59 HA -0.0038 -0.0031 -0.0081 929 HIS 59 HB3 -0.0063 -0.0006 -0.0067 930 HIS 59 HB2 -0.0052 -0.0004 -0.0096 931 HIS 59 HD2 -0.0058 0.0005 -0.0100 932 HIS 59 HE1 -0.0108 0.0042 -0.0054 933 HIS 59 HE2 -0.0084 0.0033 -0.0089 934 LEU 60 N -0.0055 -0.0041 -0.0027 935 LEU 60 CA -0.0063 -0.0045 -0.0002 936 LEU 60 C -0.0052 -0.0064 0.0007 937 LEU 60 O -0.0058 -0.0064 0.0022 938 LEU 60 CB -0.0068 -0.0048 0.0014 939 LEU 60 CG -0.0082 -0.0028 0.0010 940 LEU 60 CD1 -0.0083 -0.0032 0.0020 941 LEU 60 CD2 -0.0099 -0.0013 0.0022 942 LEU 60 H -0.0051 -0.0043 -0.0031 943 LEU 60 HA -0.0074 -0.0032 0.0001 944 LEU 60 HB3 -0.0072 -0.0053 0.0032 945 LEU 60 HB2 -0.0057 -0.0059 0.0009 946 LEU 60 HG -0.0079 -0.0020 -0.0009 947 LEU 60 HD11 -0.0093 -0.0017 0.0017 948 LEU 60 HD12 -0.0071 -0.0042 0.0010 949 LEU 60 HD13 -0.0086 -0.0039 0.0039 950 LEU 60 HD21 -0.0109 0.0001 0.0019 951 LEU 60 HD22 -0.0102 -0.0020 0.0041 952 LEU 60 HD23 -0.0098 -0.0010 0.0014 953 VAL 61 N -0.0052 -0.0025 -0.0025 954 VAL 61 CA -0.0032 -0.0049 -0.0012 955 VAL 61 C -0.0032 -0.0045 -0.0019 956 VAL 61 O -0.0032 -0.0057 0.0001 957 VAL 61 CB -0.0002 -0.0067 -0.0025 958 VAL 61 CG1 0.0019 -0.0089 -0.0016 959 VAL 61 CG2 -0.0002 -0.0074 -0.0012 960 VAL 61 H -0.0044 -0.0021 -0.0044 961 VAL 61 HA -0.0040 -0.0058 0.0014 962 VAL 61 HB 0.0004 -0.0056 -0.0051 963 VAL 61 HG11 0.0040 -0.0101 -0.0026 964 VAL 61 HG12 0.0019 -0.0083 -0.0026 965 VAL 61 HG13 0.0013 -0.0100 0.0010 966 VAL 61 HG21 0.0020 -0.0087 -0.0022 967 VAL 61 HG22 -0.0008 -0.0084 0.0013 968 VAL 61 HG23 -0.0016 -0.0058 -0.0020 969 GLN 62 N -0.0032 -0.0028 -0.0048 970 GLN 62 CA -0.0031 -0.0023 -0.0058 971 GLN 62 C -0.0057 -0.0015 -0.0036 972 GLN 62 O -0.0054 -0.0022 -0.0028 973 GLN 62 CB -0.0032 -0.0003 -0.0092 974 GLN 62 CG -0.0004 -0.0012 -0.0117 975 GLN 62 CD -0.0006 0.0010 -0.0151 976 GLN 62 OE1 -0.0021 0.0026 -0.0157 977 GLN 62 NE2 0.0010 0.0009 -0.0172 978 GLN 62 H -0.0032 -0.0019 -0.0064 979 GLN 62 HA -0.0012 -0.0040 -0.0057 980 GLN 62 HB3 -0.0038 0.0006 -0.0097 981 GLN 62 HB2 -0.0048 0.0013 -0.0095 982 GLN 62 HG3 0.0004 -0.0022 -0.0111 983 GLN 62 HG2 0.0012 -0.0025 -0.0117 984 GLN 62 HE22 0.0009 0.0023 -0.0194 985 GLN 62 HE21 0.0022 -0.0004 -0.0165 986 GLN 63 N -0.0121 0.0003 0.0014 987 GLN 63 CA -0.0124 0.0024 0.0025 988 GLN 63 C -0.0112 0.0040 0.0042 989 GLN 63 O -0.0121 0.0059 0.0048 990 GLN 63 CB -0.0118 0.0021 0.0027 991 GLN 63 CG -0.0134 0.0012 0.0012 992 GLN 63 CD -0.0132 0.0018 0.0017 993 GLN 63 OE1 -0.0114 0.0010 0.0022 994 GLN 63 NE2 -0.0150 0.0032 0.0015 995 GLN 63 H -0.0111 -0.0011 0.0012 996 GLN 63 HA -0.0142 0.0033 0.0020 997 GLN 63 HB3 -0.0116 0.0036 0.0038 998 GLN 63 HB2 -0.0101 0.0009 0.0030 999 GLN 63 HG3 -0.0131 -0.0006 0.0003 1000 GLN 63 HG2 -0.0151 0.0020 0.0007 1001 GLN 63 HE22 -0.0149 0.0036 0.0018 1002 GLN 63 HE21 -0.0164 0.0038 0.0011 1003 ALA 64 N -0.0090 0.0030 0.0049 1004 ALA 64 CA -0.0076 0.0043 0.0065 1005 ALA 64 C -0.0084 0.0050 0.0064 1006 ALA 64 O -0.0083 0.0068 0.0076 1007 ALA 64 CB -0.0051 0.0029 0.0070 1008 ALA 64 H -0.0083 0.0014 0.0043 1009 ALA 64 HA -0.0077 0.0058 0.0073 1010 ALA 64 HB1 -0.0041 0.0039 0.0082 1011 ALA 64 HB2 -0.0046 0.0024 0.0071 1012 ALA 64 HB3 -0.0050 0.0014 0.0062 1013 ASN 65 N -0.0051 0.0039 0.0038 1014 ASN 65 CA -0.0047 0.0035 0.0036 1015 ASN 65 C -0.0033 0.0033 0.0057 1016 ASN 65 O -0.0037 0.0042 0.0069 1017 ASN 65 CB -0.0065 0.0048 0.0032 1018 ASN 65 CG -0.0063 0.0043 0.0025 1019 ASN 65 OD1 -0.0077 0.0055 0.0023 1020 ASN 65 ND2 -0.0048 0.0030 0.0022 1021 ASN 65 H -0.0051 0.0034 0.0024 1022 ASN 65 HA -0.0041 0.0024 0.0022 1023 ASN 65 HB3 -0.0070 0.0059 0.0046 1024 ASN 65 HB2 -0.0076 0.0051 0.0019 1025 ASN 65 HD22 -0.0046 0.0027 0.0017 1026 ASN 65 HD21 -0.0037 0.0021 0.0023 1027 PRO 66 N -0.0015 0.0021 0.0063 1028 PRO 66 CA -0.0002 0.0019 0.0083 1029 PRO 66 C 0.0007 0.0011 0.0080 1030 PRO 66 O 0.0004 0.0004 0.0062 1031 PRO 66 CB 0.0013 0.0009 0.0087 1032 PRO 66 CG 0.0012 -0.0001 0.0064 1033 PRO 66 CD -0.0008 0.0010 0.0051 1034 PRO 66 HA -0.0008 0.0031 0.0097 1035 PRO 66 HB3 0.0009 0.0016 0.0096 1036 PRO 66 HB2 0.0027 0.0001 0.0094 1037 PRO 66 HG3 0.0017 -0.0004 0.0065 1038 PRO 66 HG2 0.0021 -0.0011 0.0057 1039 PRO 66 HD2 -0.0008 0.0003 0.0034 1040 PRO 66 HD3 -0.0015 0.0016 0.0052 1041 ARG 67 N 0.0033 0.0188 0.0123 1042 ARG 67 CA 0.0014 0.0113 0.0051 1043 ARG 67 C -0.0008 0.0023 0.0052 1044 ARG 67 O -0.0019 -0.0021 0.0131 1045 ARG 67 CB 0.0006 0.0081 0.0075 1046 ARG 67 CG -0.0018 -0.0017 0.0030 1047 ARG 67 CD -0.0017 -0.0015 -0.0085 1048 ARG 67 NE 0.0008 0.0084 -0.0125 1049 ARG 67 CZ 0.0014 0.0108 -0.0222 1050 ARG 67 NH1 -0.0002 0.0039 -0.0290 1051 ARG 67 NH2 0.0037 0.0200 -0.0252 1052 ARG 67 H 0.0037 0.0206 0.0180 1053 ARG 67 HA 0.0022 0.0144 -0.0025 1054 ARG 67 HB3 0.0005 0.0080 0.0157 1055 ARG 67 HB2 0.0021 0.0138 0.0049 1056 ARG 67 HG3 -0.0032 -0.0073 0.0051 1057 ARG 67 HG2 -0.0024 -0.0041 0.0064 1058 ARG 67 HD3 -0.0025 -0.0047 -0.0120 1059 ARG 67 HD2 -0.0029 -0.0062 -0.0107 1060 ARG 67 HE 0.0021 0.0136 -0.0073 1061 ARG 67 HH12 0.0002 0.0058 -0.0364 1062 ARG 67 HH11 -0.0020 -0.0031 -0.0268 1063 ARG 67 HH22 0.0042 0.0218 -0.0326 1064 ARG 67 HH21 0.0050 0.0252 -0.0200 1065 GLY 68 N -0.0014 -0.0004 -0.0038 1066 GLY 68 CA -0.0036 -0.0091 -0.0052 1067 GLY 68 C -0.0031 -0.0069 -0.0033 1068 GLY 68 O -0.0047 -0.0135 -0.0033 1069 GLY 68 H -0.0004 0.0037 -0.0100 1070 GLY 68 HA3 -0.0051 -0.0148 -0.0000 1071 GLY 68 HA2 -0.0043 -0.0118 -0.0129 1072 SER 69 N 0.0056 -0.0055 0.0029 1073 SER 69 CA 0.0052 -0.0026 0.0006 1074 SER 69 C 0.0072 -0.0016 -0.0019 1075 SER 69 O 0.0068 -0.0012 -0.0019 1076 SER 69 CB 0.0017 -0.0006 0.0012 1077 SER 69 OG 0.0009 -0.0002 0.0015 1078 SER 69 H 0.0042 -0.0058 0.0043 1079 SER 69 HA 0.0058 -0.0026 0.0001 1080 SER 69 HB3 0.0003 -0.0014 0.0031 1081 SER 69 HB2 0.0013 0.0015 -0.0004 1082 SER 69 HG 0.0003 -0.0017 0.0033 1083 ALA 70 N 0.0094 -0.0012 -0.0039 1084 ALA 70 CA 0.0116 -0.0003 -0.0064 1085 ALA 70 C 0.0100 0.0029 -0.0082 1086 ALA 70 O 0.0078 0.0042 -0.0078 1087 ALA 70 CB 0.0147 -0.0013 -0.0077 1088 ALA 70 H 0.0097 -0.0016 -0.0038 1089 ALA 70 HA 0.0120 -0.0012 -0.0058 1090 ALA 70 HB1 0.0162 -0.0005 -0.0096 1091 ALA 70 HB2 0.0157 -0.0036 -0.0063 1092 ALA 70 HB3 0.0143 -0.0004 -0.0083 1093 GLY 71 N 0.0097 -0.0033 -0.0190 1094 GLY 71 CA 0.0096 -0.0044 -0.0190 1095 GLY 71 C 0.0095 -0.0020 -0.0200 1096 GLY 71 O 0.0096 0.0004 -0.0203 1097 GLY 71 H 0.0103 -0.0032 -0.0172 1098 GLY 71 HA3 0.0102 -0.0052 -0.0170 1099 GLY 71 HA2 0.0089 -0.0062 -0.0205 1100 PRO 72 N 0.0093 -0.0027 -0.0204 1101 PRO 72 CA 0.0092 -0.0004 -0.0213 1102 PRO 72 C 0.0101 0.0018 -0.0191 1103 PRO 72 O 0.0108 0.0011 -0.0167 1104 PRO 72 CB 0.0089 -0.0020 -0.0216 1105 PRO 72 CG 0.0086 -0.0052 -0.0217 1106 PRO 72 CD 0.0092 -0.0055 -0.0199 1107 PRO 72 HA 0.0086 0.0005 -0.0232 1108 PRO 72 HB3 0.0083 -0.0014 -0.0236 1109 PRO 72 HB2 0.0096 -0.0016 -0.0198 1110 PRO 72 HG3 0.0079 -0.0057 -0.0238 1111 PRO 72 HG2 0.0088 -0.0064 -0.0207 1112 PRO 72 HD2 0.0099 -0.0057 -0.0178 1113 PRO 72 HD3 0.0088 -0.0072 -0.0207 1114 CYS 73 N 0.0063 0.0113 -0.0129 1115 CYS 73 CA 0.0050 0.0123 -0.0113 1116 CYS 73 C 0.0049 0.0115 -0.0102 1117 CYS 73 O 0.0056 0.0108 -0.0109 1118 CYS 73 CB 0.0043 0.0145 -0.0121 1119 CYS 73 SG 0.0048 0.0152 -0.0138 1120 CYS 73 H 0.0067 0.0115 -0.0141 1121 CYS 73 HA 0.0047 0.0121 -0.0103 1122 CYS 73 HB3 0.0043 0.0151 -0.0126 1123 CYS 73 HB2 0.0034 0.0152 -0.0108 1124 CYS 74 N 0.0040 0.0116 -0.0083 1125 CYS 74 CA 0.0037 0.0110 -0.0071 1126 CYS 74 C 0.0032 0.0126 -0.0075 1127 CYS 74 O 0.0022 0.0141 -0.0070 1128 CYS 74 CB 0.0029 0.0106 -0.0049 1129 CYS 74 SG 0.0027 0.0096 -0.0033 1130 CYS 74 H 0.0035 0.0121 -0.0077 1131 CYS 74 HA 0.0046 0.0097 -0.0074 1132 CYS 74 HB3 0.0021 0.0120 -0.0045 1133 CYS 74 HB2 0.0033 0.0097 -0.0047 1134 THR 75 N 0.0010 0.0111 -0.0086 1135 THR 75 CA -0.0000 0.0102 -0.0079 1136 THR 75 C 0.0001 0.0098 -0.0060 1137 THR 75 O 0.0012 0.0103 -0.0053 1138 THR 75 CB 0.0001 0.0104 -0.0082 1139 THR 75 OG1 -0.0012 0.0096 -0.0080 1140 THR 75 CG2 0.0014 0.0109 -0.0070 1141 THR 75 H 0.0020 0.0115 -0.0079 1142 THR 75 HA -0.0011 0.0097 -0.0085 1143 THR 75 HB 0.0004 0.0109 -0.0094 1144 THR 75 HG1 -0.0013 0.0097 -0.0089 1145 THR 75 HG21 0.0015 0.0110 -0.0072 1146 THR 75 HG22 0.0024 0.0116 -0.0072 1147 THR 75 HG23 0.0012 0.0104 -0.0057 1148 PRO 76 N -0.0011 0.0089 -0.0053 1149 PRO 76 CA -0.0010 0.0085 -0.0035 1150 PRO 76 C 0.0001 0.0089 -0.0025 1151 PRO 76 O 0.0002 0.0090 -0.0028 1152 PRO 76 CB -0.0025 0.0074 -0.0031 1153 PRO 76 CG -0.0035 0.0072 -0.0047 1154 PRO 76 CD -0.0026 0.0081 -0.0060 1155 PRO 76 HA -0.0008 0.0086 -0.0033 1156 PRO 76 HB3 -0.0028 0.0070 -0.0023 1157 PRO 76 HB2 -0.0025 0.0073 -0.0028 1158 PRO 76 HG3 -0.0037 0.0071 -0.0049 1159 PRO 76 HG2 -0.0044 0.0067 -0.0048 1160 PRO 76 HD2 -0.0027 0.0081 -0.0062 1161 PRO 76 HD3 -0.0029 0.0083 -0.0071 1162 THR 77 N -0.0055 0.0094 -0.0107 1163 THR 77 CA -0.0063 0.0103 -0.0094 1164 THR 77 C -0.0087 0.0124 -0.0061 1165 THR 77 O -0.0100 0.0133 -0.0048 1166 THR 77 CB -0.0024 0.0113 -0.0091 1167 THR 77 OG1 0.0001 0.0132 -0.0076 1168 THR 77 CG2 -0.0003 0.0091 -0.0124 1169 THR 77 H -0.0037 0.0106 -0.0096 1170 THR 77 HA -0.0080 0.0087 -0.0109 1171 THR 77 HB -0.0031 0.0123 -0.0078 1172 THR 77 HG1 0.0007 0.0124 -0.0087 1173 THR 77 HG21 0.0024 0.0099 -0.0122 1174 THR 77 HG22 -0.0023 0.0077 -0.0136 1175 THR 77 HG23 0.0003 0.0082 -0.0137 1176 LYS 78 N -0.0092 0.0133 -0.0050 1177 LYS 78 CA -0.0117 0.0151 -0.0020 1178 LYS 78 C -0.0135 0.0147 -0.0021 1179 LYS 78 O -0.0114 0.0145 -0.0029 1180 LYS 78 CB -0.0094 0.0179 0.0007 1181 LYS 78 CG -0.0120 0.0200 0.0039 1182 LYS 78 CD -0.0095 0.0227 0.0066 1183 LYS 78 CE -0.0121 0.0248 0.0097 1184 LYS 78 NZ -0.0097 0.0274 0.0123 1185 LYS 78 H -0.0078 0.0127 -0.0061 1186 LYS 78 HA -0.0141 0.0148 -0.0018 1187 LYS 78 HB3 -0.0071 0.0183 0.0006 1188 LYS 78 HB2 -0.0078 0.0182 0.0006 1189 LYS 78 HG3 -0.0142 0.0197 0.0041 1190 LYS 78 HG2 -0.0136 0.0198 0.0041 1191 LYS 78 HD3 -0.0072 0.0230 0.0063 1192 LYS 78 HD2 -0.0082 0.0230 0.0066 1193 LYS 78 HE3 -0.0144 0.0245 0.0100 1194 LYS 78 HE2 -0.0135 0.0245 0.0097 1195 LYS 78 HZ1 -0.0076 0.0277 0.0121 1196 LYS 78 HZ2 -0.0115 0.0287 0.0144 1197 LYS 78 HZ3 -0.0084 0.0277 0.0124 1198 MET 79 N -0.0090 0.0063 0.0051 1199 MET 79 CA -0.0075 0.0036 0.0039 1200 MET 79 C -0.0075 0.0037 0.0038 1201 MET 79 O -0.0088 0.0050 0.0056 1202 MET 79 CB -0.0075 0.0005 0.0058 1203 MET 79 CG -0.0074 0.0001 0.0061 1204 MET 79 SD -0.0054 -0.0011 0.0028 1205 MET 79 CE -0.0043 -0.0051 0.0033 1206 MET 79 H -0.0101 0.0067 0.0071 1207 MET 79 HA -0.0064 0.0036 0.0017 1208 MET 79 HB3 -0.0063 -0.0015 0.0049 1209 MET 79 HB2 -0.0085 0.0004 0.0080 1210 MET 79 HG3 -0.0078 -0.0016 0.0080 1211 MET 79 HG2 -0.0084 0.0023 0.0064 1212 MET 79 HE1 -0.0030 -0.0062 0.0014 1213 MET 79 HE2 -0.0050 -0.0063 0.0053 1214 MET 79 HE3 -0.0043 -0.0053 0.0034 1215 SER 80 N -0.0060 0.0024 0.0017 1216 SER 80 CA -0.0058 0.0020 0.0015 1217 SER 80 C -0.0046 -0.0014 0.0015 1218 SER 80 O -0.0035 -0.0032 0.0005 1219 SER 80 CB -0.0051 0.0041 -0.0012 1220 SER 80 OG -0.0064 0.0072 -0.0006 1221 SER 80 H -0.0049 0.0016 0.0001 1222 SER 80 HA -0.0070 0.0028 0.0035 1223 SER 80 HB3 -0.0045 0.0032 -0.0017 1224 SER 80 HB2 -0.0041 0.0040 -0.0030 1225 SER 80 HG -0.0066 0.0083 -0.0008 1226 PRO 81 N -0.0028 -0.0014 0.0017 1227 PRO 81 CA -0.0005 -0.0043 0.0016 1228 PRO 81 C 0.0032 -0.0028 -0.0017 1229 PRO 81 O 0.0038 0.0008 -0.0038 1230 PRO 81 CB -0.0036 -0.0037 0.0034 1231 PRO 81 CG -0.0063 0.0009 0.0030 1232 PRO 81 CD -0.0064 0.0020 0.0025 1233 PRO 81 HA 0.0003 -0.0077 0.0027 1234 PRO 81 HB3 -0.0055 -0.0061 0.0059 1235 PRO 81 HB2 -0.0020 -0.0040 0.0025 1236 PRO 81 HG3 -0.0094 0.0011 0.0050 1237 PRO 81 HG2 -0.0048 0.0032 0.0009 1238 PRO 81 HD2 -0.0059 0.0053 0.0006 1239 PRO 81 HD3 -0.0092 0.0015 0.0047 1240 ILE 82 N 0.0059 -0.0056 -0.0022 1241 ILE 82 CA 0.0089 -0.0041 -0.0050 1242 ILE 82 C 0.0086 -0.0055 -0.0040 1243 ILE 82 O 0.0071 -0.0087 -0.0015 1244 ILE 82 CB 0.0133 -0.0059 -0.0071 1245 ILE 82 CG1 0.0144 -0.0110 -0.0053 1246 ILE 82 CG2 0.0139 -0.0040 -0.0085 1247 ILE 82 CD1 0.0189 -0.0131 -0.0074 1248 ILE 82 H 0.0058 -0.0088 -0.0005 1249 ILE 82 HA 0.0082 -0.0004 -0.0062 1250 ILE 82 HB 0.0154 -0.0049 -0.0090 1251 ILE 82 HG13 0.0133 -0.0123 -0.0040 1252 ILE 82 HG12 0.0128 -0.0121 -0.0037 1253 ILE 82 HG21 0.0171 -0.0053 -0.0100 1254 ILE 82 HG22 0.0133 -0.0004 -0.0098 1255 ILE 82 HG23 0.0118 -0.0049 -0.0066 1256 ILE 82 HD11 0.0195 -0.0167 -0.0061 1257 ILE 82 HD12 0.0205 -0.0121 -0.0090 1258 ILE 82 HD13 0.0200 -0.0119 -0.0088 1259 ASN 83 N 0.0109 0.0074 -0.0025 1260 ASN 83 CA 0.0091 0.0070 -0.0017 1261 ASN 83 C 0.0116 0.0043 -0.0029 1262 ASN 83 O 0.0150 0.0047 -0.0044 1263 ASN 83 CB 0.0086 0.0112 -0.0013 1264 ASN 83 CG 0.0061 0.0140 -0.0000 1265 ASN 83 OD1 0.0028 0.0130 0.0014 1266 ASN 83 ND2 0.0077 0.0175 -0.0005 1267 ASN 83 H 0.0125 0.0099 -0.0031 1268 ASN 83 HA 0.0064 0.0055 -0.0006 1269 ASN 83 HB3 0.0074 0.0108 -0.0008 1270 ASN 83 HB2 0.0114 0.0127 -0.0024 1271 ASN 83 HD22 0.0061 0.0194 0.0002 1272 ASN 83 HD21 0.0104 0.0181 -0.0017 1273 MET 84 N 0.0098 0.0015 -0.0023 1274 MET 84 CA 0.0119 -0.0014 -0.0034 1275 MET 84 C 0.0102 -0.0018 -0.0027 1276 MET 84 O 0.0068 -0.0014 -0.0011 1277 MET 84 CB 0.0120 -0.0056 -0.0036 1278 MET 84 CG 0.0139 -0.0055 -0.0045 1279 MET 84 SD 0.0145 -0.0105 -0.0050 1280 MET 84 CE 0.0184 -0.0124 -0.0068 1281 MET 84 H 0.0069 0.0013 -0.0010 1282 MET 84 HA 0.0148 -0.0002 -0.0046 1283 MET 84 HB3 0.0134 -0.0078 -0.0044 1284 MET 84 HB2 0.0091 -0.0068 -0.0024 1285 MET 84 HG3 0.0123 -0.0036 -0.0037 1286 MET 84 HG2 0.0167 -0.0040 -0.0056 1287 MET 84 HE1 0.0190 -0.0155 -0.0072 1288 MET 84 HE2 0.0176 -0.0125 -0.0065 1289 MET 84 HE3 0.0208 -0.0103 -0.0077 1290 LEU 85 N 0.0052 0.0031 0.0008 1291 LEU 85 CA 0.0039 0.0019 0.0013 1292 LEU 85 C 0.0030 0.0015 -0.0003 1293 LEU 85 O 0.0029 0.0016 -0.0017 1294 LEU 85 CB 0.0033 0.0013 0.0020 1295 LEU 85 CG 0.0021 0.0001 0.0032 1296 LEU 85 CD1 0.0026 0.0003 0.0049 1297 LEU 85 CD2 0.0016 -0.0005 0.0036 1298 LEU 85 H 0.0053 0.0034 -0.0001 1299 LEU 85 HA 0.0040 0.0018 0.0023 1300 LEU 85 HB3 0.0030 0.0012 0.0010 1301 LEU 85 HB2 0.0041 0.0019 0.0028 1302 LEU 85 HG 0.0014 -0.0004 0.0025 1303 LEU 85 HD11 0.0018 -0.0006 0.0057 1304 LEU 85 HD12 0.0030 0.0006 0.0046 1305 LEU 85 HD13 0.0034 0.0008 0.0056 1306 LEU 85 HD21 0.0007 -0.0013 0.0044 1307 LEU 85 HD22 0.0023 0.0001 0.0042 1308 LEU 85 HD23 0.0012 -0.0006 0.0023 1309 TYR 86 N 0.0025 0.0009 -0.0002 1310 TYR 86 CA 0.0018 0.0006 -0.0017 1311 TYR 86 C 0.0007 -0.0004 -0.0013 1312 TYR 86 O 0.0007 -0.0007 0.0002 1313 TYR 86 CB 0.0028 0.0017 -0.0027 1314 TYR 86 CG 0.0036 0.0021 -0.0016 1315 TYR 86 CD1 0.0047 0.0029 -0.0005 1316 TYR 86 CD2 0.0031 0.0017 -0.0017 1317 TYR 86 CE1 0.0054 0.0033 0.0005 1318 TYR 86 CE2 0.0037 0.0021 -0.0007 1319 TYR 86 CZ 0.0049 0.0029 0.0004 1320 TYR 86 OH 0.0055 0.0033 0.0014 1321 TYR 86 H 0.0025 0.0008 0.0010 1322 TYR 86 HA 0.0013 0.0004 -0.0026 1323 TYR 86 HB3 0.0036 0.0024 -0.0031 1324 TYR 86 HB2 0.0024 0.0015 -0.0039 1325 TYR 86 HD1 0.0051 0.0033 -0.0004 1326 TYR 86 HD2 0.0022 0.0011 -0.0025 1327 TYR 86 HE1 0.0063 0.0040 0.0013 1328 TYR 86 HE2 0.0033 0.0018 -0.0007 1329 TYR 86 HH 0.0063 0.0038 0.0021 1330 PHE 87 N -0.0058 0.0002 -0.0013 1331 PHE 87 CA -0.0056 -0.0008 -0.0005 1332 PHE 87 C -0.0045 0.0008 0.0001 1333 PHE 87 O -0.0046 0.0025 -0.0009 1334 PHE 87 CB -0.0070 -0.0017 -0.0019 1335 PHE 87 CG -0.0080 -0.0036 -0.0024 1336 PHE 87 CD1 -0.0079 -0.0056 -0.0013 1337 PHE 87 CD2 -0.0092 -0.0035 -0.0040 1338 PHE 87 CE1 -0.0089 -0.0074 -0.0017 1339 PHE 87 CE2 -0.0102 -0.0052 -0.0044 1340 PHE 87 CZ -0.0100 -0.0072 -0.0033 1341 PHE 87 H -0.0066 0.0009 -0.0026 1342 PHE 87 HA -0.0052 -0.0021 0.0006 1343 PHE 87 HB3 -0.0067 -0.0021 -0.0014 1344 PHE 87 HB2 -0.0075 -0.0005 -0.0031 1345 PHE 87 HD1 -0.0070 -0.0058 -0.0001 1346 PHE 87 HD2 -0.0093 -0.0019 -0.0049 1347 PHE 87 HE1 -0.0088 -0.0089 -0.0009 1348 PHE 87 HE2 -0.0111 -0.0051 -0.0057 1349 PHE 87 HZ -0.0108 -0.0086 -0.0036 1350 ASN 88 N -0.0033 0.0003 0.0018 1351 ASN 88 CA -0.0023 0.0017 0.0025 1352 ASN 88 C -0.0029 0.0013 0.0020 1353 ASN 88 O -0.0041 -0.0000 0.0010 1354 ASN 88 CB -0.0008 0.0015 0.0045 1355 ASN 88 CG -0.0008 -0.0007 0.0055 1356 ASN 88 OD1 -0.0019 -0.0021 0.0048 1357 ASN 88 ND2 0.0004 -0.0011 0.0073 1358 ASN 88 H -0.0032 -0.0010 0.0026 1359 ASN 88 HA -0.0022 0.0034 0.0018 1360 ASN 88 HB3 -0.0004 0.0019 0.0048 1361 ASN 88 HB2 -0.0001 0.0026 0.0049 1362 ASN 88 HD22 0.0005 -0.0025 0.0080 1363 ASN 88 HD21 0.0012 0.0001 0.0078 1364 ASP 89 N -0.0095 -0.0209 0.0235 1365 ASP 89 CA -0.0046 -0.0153 0.0279 1366 ASP 89 C 0.0022 -0.0054 0.0242 1367 ASP 89 O 0.0074 0.0003 0.0302 1368 ASP 89 CB -0.0073 -0.0183 0.0247 1369 ASP 89 CG -0.0092 -0.0185 0.0125 1370 ASP 89 OD1 -0.0108 -0.0195 0.0067 1371 ASP 89 OD2 -0.0092 -0.0177 0.0086 1372 ASP 89 H -0.0139 -0.0261 0.0196 1373 ASP 89 HA -0.0039 -0.0160 0.0367 1374 ASP 89 HB3 -0.0116 -0.0248 0.0287 1375 ASP 89 HB2 -0.0036 -0.0139 0.0278 1376 LYS 90 N 0.0023 -0.0035 0.0142 1377 LYS 90 CA 0.0085 0.0056 0.0100 1378 LYS 90 C 0.0113 0.0088 0.0132 1379 LYS 90 O 0.0162 0.0161 0.0095 1380 LYS 90 CB 0.0075 0.0067 -0.0024 1381 LYS 90 CG 0.0054 0.0048 -0.0067 1382 LYS 90 CD 0.0016 0.0019 -0.0182 1383 LYS 90 CE 0.0011 0.0024 -0.0241 1384 LYS 90 NZ -0.0004 0.0027 -0.0360 1385 LYS 90 H -0.0021 -0.0083 0.0094 1386 LYS 90 HA 0.0121 0.0098 0.0134 1387 LYS 90 HB3 0.0120 0.0134 -0.0054 1388 LYS 90 HB2 0.0038 0.0025 -0.0060 1389 LYS 90 HG3 0.0023 -0.0005 -0.0014 1390 LYS 90 HG2 0.0099 0.0107 -0.0069 1391 LYS 90 HD3 0.0041 0.0060 -0.0227 1392 LYS 90 HD2 -0.0034 -0.0049 -0.0178 1393 LYS 90 HE3 -0.0028 -0.0034 -0.0214 1394 LYS 90 HE2 0.0058 0.0083 -0.0221 1395 LYS 90 HZ1 0.0033 0.0080 -0.0385 1396 LYS 90 HZ2 -0.0007 0.0030 -0.0399 1397 LYS 90 HZ3 -0.0047 -0.0028 -0.0378 1398 GLN 91 N 0.0018 -0.0042 0.0095 1399 GLN 91 CA 0.0016 -0.0045 0.0079 1400 GLN 91 C 0.0017 -0.0050 0.0064 1401 GLN 91 O 0.0022 -0.0055 0.0051 1402 GLN 91 CB 0.0030 -0.0050 0.0080 1403 GLN 91 CG 0.0030 -0.0046 0.0095 1404 GLN 91 CD 0.0014 -0.0040 0.0096 1405 GLN 91 OE1 0.0005 -0.0040 0.0084 1406 GLN 91 NE2 0.0010 -0.0035 0.0112 1407 GLN 91 H 0.0009 -0.0037 0.0102 1408 GLN 91 HA 0.0005 -0.0041 0.0079 1409 GLN 91 HB3 0.0028 -0.0052 0.0069 1410 GLN 91 HB2 0.0041 -0.0054 0.0080 1411 GLN 91 HG3 0.0040 -0.0050 0.0095 1412 GLN 91 HG2 0.0033 -0.0044 0.0107 1413 GLN 91 HE22 -0.0000 -0.0031 0.0113 1414 GLN 91 HE21 0.0018 -0.0035 0.0122 1415 GLN 92 N 0.0011 -0.0047 0.0065 1416 GLN 92 CA 0.0009 -0.0050 0.0050 1417 GLN 92 C -0.0007 -0.0047 0.0040 1418 GLN 92 O -0.0019 -0.0041 0.0048 1419 GLN 92 CB 0.0010 -0.0049 0.0055 1420 GLN 92 CG 0.0026 -0.0053 0.0064 1421 GLN 92 CD 0.0025 -0.0051 0.0071 1422 GLN 92 OE1 0.0013 -0.0045 0.0078 1423 GLN 92 NE2 0.0038 -0.0056 0.0071 1424 GLN 92 H 0.0008 -0.0043 0.0076 1425 GLN 92 HA 0.0019 -0.0056 0.0042 1426 GLN 92 HB3 0.0008 -0.0051 0.0044 1427 GLN 92 HB2 0.0000 -0.0044 0.0063 1428 GLN 92 HG3 0.0030 -0.0052 0.0073 1429 GLN 92 HG2 0.0035 -0.0059 0.0055 1430 GLN 92 HE22 0.0038 -0.0054 0.0076 1431 GLN 92 HE21 0.0048 -0.0060 0.0065 1432 ILE 93 N -0.0039 -0.0091 0.0063 1433 ILE 93 CA -0.0034 -0.0082 0.0060 1434 ILE 93 C -0.0014 -0.0069 0.0075 1435 ILE 93 O -0.0008 -0.0077 0.0095 1436 ILE 93 CB -0.0042 -0.0097 0.0065 1437 ILE 93 CG1 -0.0062 -0.0110 0.0050 1438 ILE 93 CG2 -0.0035 -0.0087 0.0063 1439 ILE 93 CD1 -0.0072 -0.0128 0.0057 1440 ILE 93 H -0.0045 -0.0106 0.0071 1441 ILE 93 HA -0.0036 -0.0072 0.0043 1442 ILE 93 HB -0.0040 -0.0107 0.0082 1443 ILE 93 HG13 -0.0066 -0.0114 0.0048 1444 ILE 93 HG12 -0.0065 -0.0100 0.0033 1445 ILE 93 HG21 -0.0042 -0.0098 0.0067 1446 ILE 93 HG22 -0.0022 -0.0078 0.0075 1447 ILE 93 HG23 -0.0038 -0.0076 0.0047 1448 ILE 93 HD11 -0.0085 -0.0136 0.0045 1449 ILE 93 HD12 -0.0069 -0.0138 0.0073 1450 ILE 93 HD13 -0.0068 -0.0124 0.0057 1451 ILE 94 N -0.0005 -0.0049 0.0066 1452 ILE 94 CA 0.0014 -0.0035 0.0078 1453 ILE 94 C 0.0021 -0.0023 0.0075 1454 ILE 94 O 0.0016 -0.0014 0.0056 1455 ILE 94 CB 0.0022 -0.0021 0.0073 1456 ILE 94 CG1 0.0015 -0.0033 0.0077 1457 ILE 94 CG2 0.0041 -0.0006 0.0086 1458 ILE 94 CD1 0.0019 -0.0045 0.0100 1459 ILE 94 H -0.0010 -0.0043 0.0049 1460 ILE 94 HA 0.0017 -0.0044 0.0096 1461 ILE 94 HB 0.0018 -0.0012 0.0056 1462 ILE 94 HG13 0.0020 -0.0022 0.0071 1463 ILE 94 HG12 0.0001 -0.0042 0.0066 1464 ILE 94 HG21 0.0046 0.0004 0.0082 1465 ILE 94 HG22 0.0046 0.0003 0.0082 1466 ILE 94 HG23 0.0045 -0.0015 0.0103 1467 ILE 94 HD11 0.0014 -0.0053 0.0102 1468 ILE 94 HD12 0.0033 -0.0036 0.0110 1469 ILE 94 HD13 0.0014 -0.0056 0.0105 1470 TYR 95 N -0.0018 -0.0010 0.0047 1471 TYR 95 CA -0.0007 0.0021 0.0041 1472 TYR 95 C -0.0038 0.0011 0.0053 1473 TYR 95 O -0.0079 0.0005 0.0069 1474 TYR 95 CB -0.0011 0.0074 0.0040 1475 TYR 95 CG -0.0007 0.0108 0.0037 1476 TYR 95 CD1 0.0034 0.0123 0.0021 1477 TYR 95 CD2 -0.0046 0.0125 0.0051 1478 TYR 95 CE1 0.0037 0.0155 0.0018 1479 TYR 95 CE2 -0.0043 0.0157 0.0048 1480 TYR 95 CZ -0.0001 0.0171 0.0032 1481 TYR 95 OH 0.0002 0.0203 0.0029 1482 TYR 95 H -0.0044 0.0001 0.0056 1483 TYR 95 HA 0.0027 0.0013 0.0028 1484 TYR 95 HB3 -0.0042 0.0080 0.0052 1485 TYR 95 HB2 0.0015 0.0082 0.0030 1486 TYR 95 HD1 0.0064 0.0111 0.0010 1487 TYR 95 HD2 -0.0078 0.0114 0.0064 1488 TYR 95 HE1 0.0069 0.0166 0.0005 1489 TYR 95 HE2 -0.0073 0.0170 0.0059 1490 TYR 95 HH -0.0027 0.0211 0.0040 1491 GLY 96 N -0.0021 0.0008 0.0047 1492 GLY 96 CA -0.0049 -0.0002 0.0058 1493 GLY 96 C -0.0030 0.0012 0.0050 1494 GLY 96 O 0.0011 0.0011 0.0035 1495 GLY 96 H 0.0013 0.0012 0.0034 1496 GLY 96 HA3 -0.0057 -0.0039 0.0063 1497 GLY 96 HA2 -0.0081 0.0017 0.0070 1498 LYS 97 N -0.0080 -0.0003 0.0042 1499 LYS 97 CA -0.0068 0.0005 0.0038 1500 LYS 97 C -0.0072 -0.0056 0.0046 1501 LYS 97 O -0.0117 -0.0082 0.0063 1502 LYS 97 CB -0.0111 0.0051 0.0044 1503 LYS 97 CG -0.0096 0.0070 0.0038 1504 LYS 97 CD -0.0137 0.0121 0.0043 1505 LYS 97 CE -0.0109 0.0181 0.0028 1506 LYS 97 NZ -0.0091 0.0198 0.0020 1507 LYS 97 H -0.0122 0.0003 0.0054 1508 LYS 97 HA -0.0025 0.0021 0.0023 1509 LYS 97 HB3 -0.0154 0.0033 0.0059 1510 LYS 97 HB2 -0.0115 0.0090 0.0041 1511 LYS 97 HG3 -0.0052 0.0085 0.0023 1512 LYS 97 HG2 -0.0098 0.0032 0.0043 1513 LYS 97 HD3 -0.0151 0.0111 0.0048 1514 LYS 97 HD2 -0.0176 0.0122 0.0055 1515 LYS 97 HE3 -0.0072 0.0181 0.0017 1516 LYS 97 HE2 -0.0139 0.0215 0.0032 1517 LYS 97 HZ1 -0.0053 0.0176 0.0012 1518 LYS 97 HZ2 -0.0121 0.0186 0.0030 1519 LYS 97 HZ3 -0.0085 0.0242 0.0013 1520 ILE 98 N -0.0023 -0.0079 0.0035 1521 ILE 98 CA -0.0019 -0.0139 0.0041 1522 ILE 98 C -0.0020 -0.0138 0.0041 1523 ILE 98 O 0.0022 -0.0122 0.0027 1524 ILE 98 CB 0.0036 -0.0173 0.0029 1525 ILE 98 CG1 0.0043 -0.0170 0.0027 1526 ILE 98 CG2 0.0035 -0.0238 0.0038 1527 ILE 98 CD1 -0.0005 -0.0199 0.0045 1528 ILE 98 H 0.0013 -0.0054 0.0021 1529 ILE 98 HA -0.0057 -0.0163 0.0055 1530 ILE 98 HB 0.0073 -0.0152 0.0016 1531 ILE 98 HG13 0.0084 -0.0190 0.0017 1532 ILE 98 HG12 0.0045 -0.0123 0.0020 1533 ILE 98 HG21 0.0074 -0.0262 0.0029 1534 ILE 98 HG22 0.0033 -0.0238 0.0038 1535 ILE 98 HG23 -0.0002 -0.0259 0.0051 1536 ILE 98 HD11 0.0003 -0.0194 0.0042 1537 ILE 98 HD12 -0.0006 -0.0246 0.0051 1538 ILE 98 HD13 -0.0046 -0.0177 0.0054 1539 PRO 99 N -0.0062 -0.0146 0.0121 1540 PRO 99 CA -0.0067 -0.0114 0.0123 1541 PRO 99 C -0.0046 -0.0129 0.0098 1542 PRO 99 O -0.0035 -0.0173 0.0091 1543 PRO 99 CB -0.0101 -0.0119 0.0166 1544 PRO 99 CG -0.0114 -0.0140 0.0188 1545 PRO 99 CD -0.0088 -0.0172 0.0160 1546 PRO 99 HA -0.0065 -0.0076 0.0114 1547 PRO 99 HB3 -0.0113 -0.0083 0.0176 1548 PRO 99 HB2 -0.0100 -0.0145 0.0171 1549 PRO 99 HG3 -0.0123 -0.0110 0.0194 1550 PRO 99 HG2 -0.0132 -0.0163 0.0214 1551 PRO 99 HD2 -0.0085 -0.0208 0.0162 1552 PRO 99 HD3 -0.0092 -0.0171 0.0165 1553 GLY 100 N -0.0041 -0.0094 0.0086 1554 GLY 100 CA -0.0025 -0.0104 0.0067 1555 GLY 100 C 0.0009 -0.0124 0.0027 1556 GLY 100 O 0.0021 -0.0156 0.0017 1557 GLY 100 H -0.0049 -0.0058 0.0090 1558 GLY 100 HA3 -0.0036 -0.0130 0.0086 1559 GLY 100 HA2 -0.0027 -0.0071 0.0064 1560 MET 101 N 0.0040 -0.0110 0.0007 1561 MET 101 CA 0.0055 -0.0117 -0.0010 1562 MET 101 C 0.0051 -0.0102 -0.0027 1563 MET 101 O 0.0060 -0.0107 -0.0036 1564 MET 101 CB 0.0067 -0.0125 -0.0022 1565 MET 101 CG 0.0076 -0.0143 -0.0007 1566 MET 101 SD 0.0091 -0.0164 -0.0003 1567 MET 101 CE 0.0108 -0.0166 -0.0031 1568 MET 101 H 0.0034 -0.0101 0.0004 1569 MET 101 HA 0.0061 -0.0129 -0.0002 1570 MET 101 HB3 0.0077 -0.0126 -0.0037 1571 MET 101 HB2 0.0061 -0.0114 -0.0027 1572 MET 101 HG3 0.0083 -0.0146 -0.0015 1573 MET 101 HG2 0.0066 -0.0142 0.0009 1574 MET 101 HE1 0.0118 -0.0178 -0.0032 1575 MET 101 HE2 0.0112 -0.0168 -0.0036 1576 MET 101 HE3 0.0102 -0.0152 -0.0043 1577 VAL 102 N 0.0038 -0.0084 -0.0031 1578 VAL 102 CA 0.0033 -0.0068 -0.0048 1579 VAL 102 C 0.0015 -0.0054 -0.0037 1580 VAL 102 O 0.0003 -0.0049 -0.0023 1581 VAL 102 CB 0.0032 -0.0056 -0.0066 1582 VAL 102 CG1 0.0026 -0.0039 -0.0082 1583 VAL 102 CG2 0.0050 -0.0069 -0.0078 1584 VAL 102 H 0.0030 -0.0081 -0.0023 1585 VAL 102 HA 0.0042 -0.0074 -0.0056 1586 VAL 102 HB 0.0023 -0.0051 -0.0057 1587 VAL 102 HG11 0.0026 -0.0031 -0.0095 1588 VAL 102 HG12 0.0013 -0.0029 -0.0073 1589 VAL 102 HG13 0.0035 -0.0044 -0.0091 1590 VAL 102 HG21 0.0049 -0.0060 -0.0091 1591 VAL 102 HG22 0.0059 -0.0075 -0.0087 1592 VAL 102 HG23 0.0054 -0.0081 -0.0067 1593 VAL 103 N -0.0031 0.0016 -0.0022 1594 VAL 103 CA -0.0041 0.0032 -0.0017 1595 VAL 103 C -0.0042 0.0058 -0.0027 1596 VAL 103 O -0.0031 0.0063 -0.0047 1597 VAL 103 CB -0.0034 0.0026 -0.0023 1598 VAL 103 CG1 -0.0042 0.0046 -0.0021 1599 VAL 103 CG2 -0.0035 0.0002 -0.0010 1600 VAL 103 H -0.0019 0.0008 -0.0035 1601 VAL 103 HA -0.0052 0.0031 -0.0000 1602 VAL 103 HB -0.0022 0.0024 -0.0040 1603 VAL 103 HG11 -0.0038 0.0041 -0.0026 1604 VAL 103 HG12 -0.0041 0.0062 -0.0031 1605 VAL 103 HG13 -0.0055 0.0048 -0.0005 1606 VAL 103 HG21 -0.0030 -0.0002 -0.0015 1607 VAL 103 HG22 -0.0047 0.0004 0.0006 1608 VAL 103 HG23 -0.0028 -0.0012 -0.0012 1609 ASP 104 N -0.0057 0.0073 -0.0015 1610 ASP 104 CA -0.0060 0.0098 -0.0023 1611 ASP 104 C -0.0063 0.0114 -0.0026 1612 ASP 104 O -0.0060 0.0132 -0.0040 1613 ASP 104 CB -0.0074 0.0108 -0.0008 1614 ASP 104 CG -0.0072 0.0094 -0.0005 1615 ASP 104 OD1 -0.0058 0.0085 -0.0019 1616 ASP 104 OD2 -0.0083 0.0093 0.0013 1617 ASP 104 H -0.0066 0.0068 0.0001 1618 ASP 104 HA -0.0050 0.0100 -0.0038 1619 ASP 104 HB3 -0.0076 0.0127 -0.0015 1620 ASP 104 HB2 -0.0084 0.0108 0.0007 1621 ARG 105 N -0.0033 0.0103 0.0012 1622 ARG 105 CA -0.0017 0.0100 0.0007 1623 ARG 105 C -0.0017 0.0101 -0.0010 1624 ARG 105 O -0.0025 0.0103 -0.0020 1625 ARG 105 CB -0.0007 0.0097 0.0011 1626 ARG 105 CG 0.0010 0.0093 0.0008 1627 ARG 105 CD 0.0020 0.0091 0.0012 1628 ARG 105 NE 0.0015 0.0091 0.0027 1629 ARG 105 CZ 0.0017 0.0090 0.0030 1630 ARG 105 NH1 0.0022 0.0090 0.0020 1631 ARG 105 NH2 0.0013 0.0090 0.0045 1632 ARG 105 H -0.0040 0.0105 0.0004 1633 ARG 105 HA -0.0014 0.0098 0.0014 1634 ARG 105 HB3 -0.0010 0.0098 0.0004 1635 ARG 105 HB2 -0.0009 0.0096 0.0023 1636 ARG 105 HG3 0.0014 0.0092 0.0015 1637 ARG 105 HG2 0.0012 0.0094 -0.0004 1638 ARG 105 HD3 0.0032 0.0088 0.0012 1639 ARG 105 HD2 0.0018 0.0092 0.0002 1640 ARG 105 HE 0.0011 0.0091 0.0035 1641 ARG 105 HH12 0.0023 0.0089 0.0022 1642 ARG 105 HH11 0.0025 0.0090 0.0009 1643 ARG 105 HH22 0.0014 0.0089 0.0047 1644 ARG 105 HH21 0.0009 0.0090 0.0053 1645 CYS 106 N -0.0007 0.0099 -0.0014 1646 CYS 106 CA -0.0006 0.0100 -0.0030 1647 CYS 106 C 0.0011 0.0097 -0.0036 1648 CYS 106 O 0.0021 0.0094 -0.0027 1649 CYS 106 CB -0.0010 0.0101 -0.0032 1650 CYS 106 SG -0.0030 0.0105 -0.0027 1651 CYS 106 H -0.0001 0.0097 -0.0006 1652 CYS 106 HA -0.0014 0.0102 -0.0038 1653 CYS 106 HB3 -0.0007 0.0101 -0.0043 1654 CYS 106 HB2 -0.0003 0.0099 -0.0024 1655 GLY 107 N 0.0020 0.0103 -0.0100 1656 GLY 107 CA 0.0038 0.0078 -0.0116 1657 GLY 107 C 0.0038 0.0074 -0.0141 1658 GLY 107 O 0.0023 0.0091 -0.0148 1659 GLY 107 H 0.0008 0.0117 -0.0111 1660 GLY 107 HA3 0.0038 0.0076 -0.0128 1661 GLY 107 HA2 0.0052 0.0064 -0.0098 1662 CYS 108 N 0.0055 0.0050 -0.0154 1663 CYS 108 CA 0.0057 0.0043 -0.0178 1664 CYS 108 C 0.0052 0.0043 -0.0212 1665 CYS 108 O 0.0063 0.0027 -0.0221 1666 CYS 108 CB 0.0079 0.0017 -0.0172 1667 CYS 108 SG 0.0085 0.0017 -0.0134 1668 CYS 108 H 0.0067 0.0036 -0.0148 1669 CYS 108 HA 0.0046 0.0057 -0.0175 1670 CYS 108 HB3 0.0081 0.0011 -0.0192 1671 CYS 108 HB2 0.0090 0.0003 -0.0173 1672 SER 109 N 0.0039 0.0068 -0.0153 1673 SER 109 CA 0.0028 0.0064 -0.0151 1674 SER 109 C 0.0028 0.0051 -0.0143 1675 SER 109 O 0.0038 0.0046 -0.0139 1676 SER 109 CB 0.0030 0.0070 -0.0155 1677 SER 109 OG 0.0032 0.0081 -0.0162 1678 SER 109 OXT 0.0017 0.0046 -0.0141 1679 SER 109 H 0.0048 0.0066 -0.0151 1680 SER 109 HA 0.0019 0.0066 -0.0154 1681 SER 109 HB3 0.0022 0.0067 -0.0154 1682 SER 109 HB2 0.0039 0.0067 -0.0152 1683 SER 109 HG 0.0039 0.0083 -0.0163 1684 ASN 1 N -0.0090 -0.0049 0.0329 1685 ASN 1 CA 0.0058 -0.0010 0.0292 1686 ASN 1 C 0.0200 0.0017 0.0278 1687 ASN 1 O 0.0330 -0.0003 0.0349 1688 ASN 1 CB 0.0024 0.0059 0.0149 1689 ASN 1 CG 0.0171 0.0102 0.0105 1690 ASN 1 OD1 0.0182 0.0079 0.0152 1691 ASN 1 ND2 0.0271 0.0156 0.0026 1692 ASN 1 H1 -0.0182 -0.0065 0.0338 1693 ASN 1 H2 -0.0070 -0.0096 0.0426 1694 ASN 1 HA 0.0092 -0.0050 0.0379 1695 ASN 1 HB3 -0.0014 0.0100 0.0061 1696 ASN 1 HB2 -0.0079 0.0039 0.0161 1697 ASN 1 HD22 0.0368 0.0184 -0.0003 1698 ASN 1 HD21 0.0256 0.0172 -0.0009 1699 LEU 2 N 0.0170 0.0059 0.0187 1700 LEU 2 CA 0.0287 0.0081 0.0175 1701 LEU 2 C 0.0259 0.0019 0.0289 1702 LEU 2 O 0.0347 0.0024 0.0301 1703 LEU 2 CB 0.0272 0.0158 0.0021 1704 LEU 2 CG 0.0355 0.0229 -0.0094 1705 LEU 2 CD1 0.0282 0.0298 -0.0247 1706 LEU 2 CD2 0.0537 0.0247 -0.0082 1707 LEU 2 H 0.0065 0.0077 0.0125 1708 LEU 2 HA 0.0410 0.0088 0.0195 1709 LEU 2 HB3 0.0323 0.0163 0.0025 1710 LEU 2 HB2 0.0143 0.0159 -0.0013 1711 LEU 2 HG 0.0335 0.0215 -0.0073 1712 LEU 2 HD11 0.0343 0.0347 -0.0327 1713 LEU 2 HD12 0.0151 0.0284 -0.0253 1714 LEU 2 HD13 0.0299 0.0312 -0.0270 1715 LEU 2 HD21 0.0597 0.0298 -0.0164 1716 LEU 2 HD22 0.0559 0.0259 -0.0100 1717 LEU 2 HD23 0.0587 0.0198 0.0027 1718 GLY 3 N -0.0014 -0.0029 0.0228 1719 GLY 3 CA -0.0000 -0.0006 0.0190 1720 GLY 3 C -0.0004 -0.0017 0.0192 1721 GLY 3 O -0.0015 -0.0031 0.0230 1722 GLY 3 H -0.0017 -0.0025 0.0263 1723 GLY 3 HA3 0.0012 0.0032 0.0195 1724 GLY 3 HA2 0.0001 -0.0018 0.0154 1725 LEU 4 N 0.0004 -0.0010 0.0152 1726 LEU 4 CA 0.0002 -0.0020 0.0147 1727 LEU 4 C 0.0017 0.0026 0.0148 1728 LEU 4 O 0.0032 0.0059 0.0124 1729 LEU 4 CB -0.0001 -0.0049 0.0100 1730 LEU 4 CG -0.0007 -0.0070 0.0093 1731 LEU 4 CD1 -0.0024 -0.0103 0.0134 1732 LEU 4 CD2 -0.0008 -0.0096 0.0043 1733 LEU 4 H 0.0013 0.0003 0.0122 1734 LEU 4 HA -0.0010 -0.0040 0.0178 1735 LEU 4 HB3 0.0011 -0.0028 0.0068 1736 LEU 4 HB2 -0.0010 -0.0078 0.0096 1737 LEU 4 HG 0.0003 -0.0041 0.0094 1738 LEU 4 HD11 -0.0028 -0.0117 0.0128 1739 LEU 4 HD12 -0.0023 -0.0083 0.0169 1740 LEU 4 HD13 -0.0033 -0.0132 0.0133 1741 LEU 4 HD21 -0.0012 -0.0111 0.0038 1742 LEU 4 HD22 -0.0017 -0.0124 0.0040 1743 LEU 4 HD23 0.0005 -0.0071 0.0014 1744 ASP 5 N -0.0060 -0.0050 0.0152 1745 ASP 5 CA -0.0055 -0.0020 0.0158 1746 ASP 5 C -0.0057 -0.0009 0.0151 1747 ASP 5 O -0.0056 -0.0023 0.0156 1748 ASP 5 CB -0.0044 -0.0014 0.0188 1749 ASP 5 CG -0.0041 -0.0015 0.0195 1750 ASP 5 OD1 -0.0048 -0.0014 0.0176 1751 ASP 5 OD2 -0.0032 -0.0018 0.0219 1752 ASP 5 H -0.0056 -0.0064 0.0164 1753 ASP 5 HA -0.0059 -0.0008 0.0146 1754 ASP 5 HB3 -0.0040 0.0006 0.0193 1755 ASP 5 HB2 -0.0040 -0.0030 0.0200 1756 CYS 6 N -0.0060 0.0017 0.0138 1757 CYS 6 CA -0.0062 0.0030 0.0131 1758 CYS 6 C -0.0056 0.0061 0.0139 1759 CYS 6 O -0.0054 0.0074 0.0143 1760 CYS 6 CB -0.0073 0.0029 0.0101 1761 CYS 6 SG -0.0081 -0.0006 0.0087 1762 CYS 6 H -0.0061 0.0027 0.0133 1763 CYS 6 HA -0.0059 0.0018 0.0141 1764 CYS 6 HB3 -0.0074 0.0039 0.0096 1765 CYS 6 HB2 -0.0076 0.0043 0.0090 1766 ASP 7 N -0.0093 0.0094 0.0158 1767 ASP 7 CA -0.0045 0.0097 0.0131 1768 ASP 7 C -0.0041 0.0098 0.0083 1769 ASP 7 O -0.0072 0.0097 0.0077 1770 ASP 7 CB -0.0042 0.0098 0.0114 1771 ASP 7 CG -0.0087 0.0096 0.0079 1772 ASP 7 OD1 -0.0123 0.0094 0.0071 1773 ASP 7 OD2 -0.0085 0.0096 0.0060 1774 ASP 7 H -0.0126 0.0093 0.0137 1775 ASP 7 HA -0.0013 0.0098 0.0157 1776 ASP 7 HB3 -0.0041 0.0097 0.0148 1777 ASP 7 HB2 -0.0005 0.0100 0.0094 1778 GLU 8 N -0.0001 0.0101 0.0051 1779 GLU 8 CA 0.0007 0.0102 0.0005 1780 GLU 8 C -0.0039 0.0100 -0.0032 1781 GLU 8 O -0.0050 0.0100 -0.0061 1782 GLU 8 CB 0.0056 0.0105 -0.0023 1783 GLU 8 CG 0.0062 0.0105 -0.0028 1784 GLU 8 CD 0.0111 0.0108 -0.0056 1785 GLU 8 OE1 0.0140 0.0110 -0.0073 1786 GLU 8 OE2 0.0122 0.0108 -0.0060 1787 GLU 8 H 0.0024 0.0102 0.0059 1788 GLU 8 HA 0.0013 0.0102 0.0017 1789 GLU 8 HB3 0.0090 0.0106 -0.0003 1790 GLU 8 HB2 0.0058 0.0105 -0.0062 1791 GLU 8 HG3 0.0028 0.0104 -0.0050 1792 GLU 8 HG2 0.0060 0.0104 0.0010 1793 HIS 9 N -0.0088 0.0028 -0.0046 1794 HIS 9 CA -0.0121 0.0043 -0.0072 1795 HIS 9 C -0.0146 0.0087 -0.0042 1796 HIS 9 O -0.0184 0.0111 -0.0061 1797 HIS 9 CB -0.0153 0.0041 -0.0120 1798 HIS 9 CG -0.0132 0.0000 -0.0151 1799 HIS 9 ND1 -0.0139 -0.0003 -0.0167 1800 HIS 9 CD2 -0.0105 -0.0039 -0.0171 1801 HIS 9 CE1 -0.0117 -0.0043 -0.0194 1802 HIS 9 NE2 -0.0097 -0.0065 -0.0197 1803 HIS 9 H -0.0095 0.0032 -0.0050 1804 HIS 9 HA -0.0107 0.0022 -0.0082 1805 HIS 9 HB3 -0.0175 0.0049 -0.0142 1806 HIS 9 HB2 -0.0172 0.0066 -0.0111 1807 HIS 9 HD1 -0.0159 0.0022 -0.0157 1808 HIS 9 HD2 -0.0095 -0.0044 -0.0164 1809 HIS 9 HE1 -0.0119 -0.0052 -0.0209 1810 SER 10 N -0.0123 0.0098 0.0007 1811 SER 10 CA -0.0142 0.0139 0.0040 1812 SER 10 C -0.0120 0.0133 0.0064 1813 SER 10 O -0.0081 0.0104 0.0077 1814 SER 10 CB -0.0140 0.0163 0.0079 1815 SER 10 OG -0.0161 0.0169 0.0058 1816 SER 10 H -0.0093 0.0078 0.0021 1817 SER 10 HA -0.0176 0.0156 0.0018 1818 SER 10 HB3 -0.0154 0.0193 0.0103 1819 SER 10 HB2 -0.0107 0.0146 0.0102 1820 SER 10 HG -0.0190 0.0185 0.0039 1821 SER 11 N -0.0089 0.0195 0.0161 1822 SER 11 CA -0.0142 0.0204 0.0137 1823 SER 11 C -0.0146 0.0132 0.0074 1824 SER 11 O -0.0159 0.0117 0.0054 1825 SER 11 CB -0.0114 0.0238 0.0183 1826 SER 11 OG -0.0033 0.0201 0.0198 1827 SER 11 H -0.0030 0.0171 0.0174 1828 SER 11 HA -0.0202 0.0237 0.0132 1829 SER 11 HB3 -0.0120 0.0292 0.0225 1830 SER 11 HB2 -0.0150 0.0238 0.0162 1831 SER 11 HG -0.0027 0.0154 0.0161 1832 GLU 12 N -0.0135 0.0087 0.0042 1833 GLU 12 CA -0.0133 0.0015 -0.0018 1834 GLU 12 C -0.0214 0.0006 -0.0073 1835 GLU 12 O -0.0266 0.0025 -0.0086 1836 GLU 12 CB -0.0092 -0.0027 -0.0031 1837 GLU 12 CG -0.0089 -0.0103 -0.0093 1838 GLU 12 CD -0.0042 -0.0140 -0.0098 1839 GLU 12 OE1 0.0031 -0.0152 -0.0065 1840 GLU 12 OE2 -0.0079 -0.0157 -0.0133 1841 GLU 12 H -0.0127 0.0103 0.0060 1842 GLU 12 HA -0.0096 -0.0007 -0.0015 1843 GLU 12 HB3 -0.0123 -0.0003 -0.0028 1844 GLU 12 HB2 -0.0032 -0.0025 0.0006 1845 GLU 12 HG3 -0.0149 -0.0105 -0.0130 1846 GLU 12 HG2 -0.0061 -0.0129 -0.0100 1847 SER 13 N -0.0100 -0.0164 -0.0370 1848 SER 13 CA -0.0061 -0.0157 -0.0347 1849 SER 13 C -0.0059 -0.0134 -0.0278 1850 SER 13 O -0.0015 -0.0127 -0.0251 1851 SER 13 CB -0.0086 -0.0165 -0.0373 1852 SER 13 OG -0.0144 -0.0154 -0.0345 1853 SER 13 H -0.0147 -0.0166 -0.0380 1854 SER 13 HA -0.0012 -0.0164 -0.0363 1855 SER 13 HB3 -0.0093 -0.0181 -0.0422 1856 SER 13 HB2 -0.0050 -0.0164 -0.0365 1857 SER 13 HG -0.0137 -0.0140 -0.0301 1858 ARG 14 N -0.0108 -0.0123 -0.0248 1859 ARG 14 CA -0.0112 -0.0101 -0.0181 1860 ARG 14 C -0.0064 -0.0092 -0.0149 1861 ARG 14 O -0.0040 -0.0102 -0.0177 1862 ARG 14 CB -0.0180 -0.0091 -0.0158 1863 ARG 14 CG -0.0235 -0.0099 -0.0188 1864 ARG 14 CD -0.0280 -0.0082 -0.0141 1865 ARG 14 NE -0.0337 -0.0090 -0.0169 1866 ARG 14 CZ -0.0339 -0.0098 -0.0193 1867 ARG 14 NH1 -0.0287 -0.0099 -0.0193 1868 ARG 14 NH2 -0.0394 -0.0104 -0.0218 1869 ARG 14 H -0.0143 -0.0130 -0.0271 1870 ARG 14 HA -0.0102 -0.0097 -0.0168 1871 ARG 14 HB3 -0.0182 -0.0075 -0.0109 1872 ARG 14 HB2 -0.0189 -0.0093 -0.0165 1873 ARG 14 HG3 -0.0261 -0.0109 -0.0220 1874 ARG 14 HG2 -0.0215 -0.0109 -0.0215 1875 ARG 14 HD3 -0.0255 -0.0074 -0.0113 1876 ARG 14 HD2 -0.0295 -0.0072 -0.0110 1877 ARG 14 HE -0.0377 -0.0089 -0.0170 1878 ARG 14 HH12 -0.0289 -0.0105 -0.0211 1879 ARG 14 HH11 -0.0245 -0.0095 -0.0175 1880 ARG 14 HH22 -0.0395 -0.0110 -0.0236 1881 ARG 14 HH21 -0.0433 -0.0103 -0.0219 1882 CYS 15 N -0.0028 -0.0039 -0.0033 1883 CYS 15 CA -0.0019 -0.0014 -0.0015 1884 CYS 15 C -0.0035 -0.0013 0.0009 1885 CYS 15 O -0.0055 -0.0025 0.0023 1886 CYS 15 CB -0.0016 -0.0002 -0.0005 1887 CYS 15 SG -0.0006 0.0030 0.0018 1888 CYS 15 H -0.0029 -0.0045 -0.0038 1889 CYS 15 HA -0.0003 -0.0003 -0.0025 1890 CYS 15 HB3 -0.0032 -0.0013 0.0004 1891 CYS 15 HB2 -0.0004 -0.0002 -0.0022 1892 CYS 16 N -0.0026 0.0002 0.0013 1893 CYS 16 CA -0.0039 0.0001 0.0032 1894 CYS 16 C -0.0027 0.0026 0.0044 1895 CYS 16 O -0.0006 0.0041 0.0032 1896 CYS 16 CB -0.0046 -0.0020 0.0016 1897 CYS 16 SG -0.0069 -0.0030 0.0037 1898 CYS 16 H -0.0009 0.0014 0.0004 1899 CYS 16 HA -0.0054 -0.0004 0.0048 1900 CYS 16 HB3 -0.0032 -0.0014 0.0003 1901 CYS 16 HB2 -0.0051 -0.0036 0.0004 1902 ARG 17 N -0.0056 0.0009 0.0081 1903 ARG 17 CA -0.0054 0.0019 0.0086 1904 ARG 17 C -0.0054 0.0022 0.0089 1905 ARG 17 O -0.0056 0.0017 0.0095 1906 ARG 17 CB -0.0055 0.0019 0.0095 1907 ARG 17 CG -0.0054 0.0030 0.0100 1908 ARG 17 CD -0.0055 0.0030 0.0109 1909 ARG 17 NE -0.0057 0.0025 0.0118 1910 ARG 17 CZ -0.0057 0.0027 0.0127 1911 ARG 17 NH1 -0.0056 0.0036 0.0130 1912 ARG 17 NH2 -0.0059 0.0022 0.0135 1913 ARG 17 H -0.0057 0.0002 0.0086 1914 ARG 17 HA -0.0053 0.0024 0.0080 1915 ARG 17 HB3 -0.0057 0.0014 0.0101 1916 ARG 17 HB2 -0.0056 0.0016 0.0093 1917 ARG 17 HG3 -0.0052 0.0035 0.0094 1918 ARG 17 HG2 -0.0053 0.0033 0.0101 1919 ARG 17 HD3 -0.0055 0.0027 0.0107 1920 ARG 17 HD2 -0.0054 0.0038 0.0111 1921 ARG 17 HE -0.0057 0.0019 0.0116 1922 ARG 17 HH12 -0.0056 0.0038 0.0137 1923 ARG 17 HH11 -0.0055 0.0040 0.0124 1924 ARG 17 HH22 -0.0059 0.0024 0.0142 1925 ARG 17 HH21 -0.0060 0.0016 0.0133 1926 TYR 18 N -0.0052 0.0031 0.0085 1927 TYR 18 CA -0.0052 0.0035 0.0088 1928 TYR 18 C -0.0051 0.0045 0.0095 1929 TYR 18 O -0.0050 0.0050 0.0095 1930 TYR 18 CB -0.0050 0.0038 0.0078 1931 TYR 18 CG -0.0051 0.0029 0.0071 1932 TYR 18 CD1 -0.0051 0.0024 0.0065 1933 TYR 18 CD2 -0.0052 0.0025 0.0072 1934 TYR 18 CE1 -0.0052 0.0016 0.0059 1935 TYR 18 CE2 -0.0053 0.0017 0.0066 1936 TYR 18 CZ -0.0053 0.0012 0.0059 1937 TYR 18 OH -0.0054 0.0004 0.0054 1938 TYR 18 H -0.0051 0.0035 0.0081 1939 TYR 18 HA -0.0053 0.0029 0.0092 1940 TYR 18 HB3 -0.0050 0.0042 0.0080 1941 TYR 18 HB2 -0.0049 0.0043 0.0073 1942 TYR 18 HD1 -0.0051 0.0027 0.0064 1943 TYR 18 HD2 -0.0052 0.0029 0.0077 1944 TYR 18 HE1 -0.0052 0.0012 0.0054 1945 TYR 18 HE2 -0.0053 0.0014 0.0067 1946 TYR 18 HH -0.0054 0.0001 0.0049 1947 PRO 19 N -0.0034 -0.0004 0.0100 1948 PRO 19 CA -0.0045 -0.0002 0.0098 1949 PRO 19 C -0.0047 -0.0002 0.0098 1950 PRO 19 O -0.0043 -0.0007 0.0103 1951 PRO 19 CB -0.0050 -0.0007 0.0104 1952 PRO 19 CG -0.0044 -0.0014 0.0110 1953 PRO 19 CD -0.0033 -0.0011 0.0107 1954 PRO 19 HA -0.0046 0.0003 0.0093 1955 PRO 19 HB3 -0.0052 -0.0006 0.0102 1956 PRO 19 HB2 -0.0057 -0.0009 0.0105 1957 PRO 19 HG3 -0.0045 -0.0017 0.0113 1958 PRO 19 HG2 -0.0044 -0.0016 0.0113 1959 PRO 19 HD2 -0.0029 -0.0014 0.0110 1960 PRO 19 HD3 -0.0031 -0.0010 0.0106 1961 LEU 20 N -0.0054 0.0002 0.0094 1962 LEU 20 CA -0.0058 0.0002 0.0094 1963 LEU 20 C -0.0067 0.0005 0.0091 1964 LEU 20 O -0.0068 0.0012 0.0085 1965 LEU 20 CB -0.0050 0.0005 0.0091 1966 LEU 20 CG -0.0054 0.0006 0.0090 1967 LEU 20 CD1 -0.0055 -0.0001 0.0098 1968 LEU 20 CD2 -0.0048 0.0010 0.0086 1969 LEU 20 H -0.0057 0.0006 0.0090 1970 LEU 20 HA -0.0058 -0.0004 0.0100 1971 LEU 20 HB3 -0.0049 0.0010 0.0086 1972 LEU 20 HB2 -0.0044 0.0002 0.0094 1973 LEU 20 HG -0.0062 0.0008 0.0088 1974 LEU 20 HD11 -0.0058 -0.0001 0.0097 1975 LEU 20 HD12 -0.0060 -0.0004 0.0101 1976 LEU 20 HD13 -0.0048 -0.0004 0.0100 1977 LEU 20 HD21 -0.0051 0.0010 0.0086 1978 LEU 20 HD22 -0.0041 0.0008 0.0088 1979 LEU 20 HD23 -0.0048 0.0015 0.0081 1980 THR 21 N -0.0111 0.0012 0.0050 1981 THR 21 CA -0.0107 0.0016 0.0055 1982 THR 21 C -0.0095 0.0019 0.0056 1983 THR 21 O -0.0088 0.0016 0.0049 1984 THR 21 CB -0.0109 0.0012 0.0049 1985 THR 21 OG1 -0.0121 0.0009 0.0048 1986 THR 21 CG2 -0.0105 0.0016 0.0054 1987 THR 21 H -0.0110 0.0007 0.0043 1988 THR 21 HA -0.0112 0.0020 0.0062 1989 THR 21 HB -0.0105 0.0008 0.0042 1990 THR 21 HG1 -0.0123 0.0006 0.0045 1991 THR 21 HG21 -0.0107 0.0013 0.0050 1992 THR 21 HG22 -0.0096 0.0018 0.0055 1993 THR 21 HG23 -0.0110 0.0020 0.0061 1994 VAL 22 N -0.0092 0.0026 0.0064 1995 VAL 22 CA -0.0080 0.0030 0.0066 1996 VAL 22 C -0.0076 0.0031 0.0067 1997 VAL 22 O -0.0081 0.0034 0.0073 1998 VAL 22 CB -0.0079 0.0036 0.0075 1999 VAL 22 CG1 -0.0067 0.0041 0.0078 2000 VAL 22 CG2 -0.0080 0.0035 0.0074 2001 VAL 22 H -0.0098 0.0028 0.0070 2002 VAL 22 HA -0.0075 0.0027 0.0060 2003 VAL 22 HB -0.0085 0.0039 0.0081 2004 VAL 22 HG11 -0.0066 0.0046 0.0085 2005 VAL 22 HG12 -0.0066 0.0042 0.0080 2006 VAL 22 HG13 -0.0061 0.0038 0.0073 2007 VAL 22 HG21 -0.0079 0.0040 0.0080 2008 VAL 22 HG22 -0.0074 0.0032 0.0068 2009 VAL 22 HG23 -0.0088 0.0032 0.0072 2010 ASP 23 N -0.0035 0.0058 0.0029 2011 ASP 23 CA -0.0017 0.0044 0.0020 2012 ASP 23 C -0.0000 0.0033 0.0039 2013 ASP 23 O 0.0008 0.0027 0.0045 2014 ASP 23 CB -0.0011 0.0038 -0.0004 2015 ASP 23 CG 0.0007 0.0024 -0.0015 2016 ASP 23 OD1 0.0004 0.0024 -0.0035 2017 ASP 23 OD2 0.0023 0.0012 -0.0004 2018 ASP 23 H -0.0034 0.0058 0.0031 2019 ASP 23 HA -0.0021 0.0047 0.0016 2020 ASP 23 HB3 -0.0007 0.0035 0.0000 2021 ASP 23 HB2 -0.0023 0.0046 -0.0017 2022 PHE 24 N 0.0005 0.0030 0.0049 2023 PHE 24 CA 0.0020 0.0021 0.0069 2024 PHE 24 C 0.0040 0.0005 0.0061 2025 PHE 24 O 0.0052 -0.0003 0.0076 2026 PHE 24 CB 0.0020 0.0022 0.0080 2027 PHE 24 CG 0.0001 0.0037 0.0093 2028 PHE 24 CD1 -0.0005 0.0043 0.0112 2029 PHE 24 CD2 -0.0010 0.0045 0.0086 2030 PHE 24 CE1 -0.0022 0.0057 0.0124 2031 PHE 24 CE2 -0.0027 0.0058 0.0097 2032 PHE 24 CZ -0.0033 0.0064 0.0116 2033 PHE 24 H -0.0002 0.0035 0.0043 2034 PHE 24 HA 0.0016 0.0025 0.0084 2035 PHE 24 HB3 0.0032 0.0013 0.0093 2036 PHE 24 HB2 0.0022 0.0019 0.0066 2037 PHE 24 HD1 0.0003 0.0037 0.0118 2038 PHE 24 HD2 -0.0006 0.0040 0.0071 2039 PHE 24 HE1 -0.0027 0.0061 0.0139 2040 PHE 24 HE2 -0.0036 0.0064 0.0091 2041 PHE 24 HZ -0.0047 0.0075 0.0125 2042 GLU 25 N 0.0083 -0.0008 0.0050 2043 GLU 25 CA 0.0119 -0.0019 0.0033 2044 GLU 25 C 0.0119 -0.0019 0.0015 2045 GLU 25 O 0.0146 -0.0028 0.0017 2046 GLU 25 CB 0.0129 -0.0022 0.0001 2047 GLU 25 CG 0.0113 -0.0017 0.0008 2048 GLU 25 CD 0.0123 -0.0019 -0.0026 2049 GLU 25 OE1 0.0157 -0.0030 -0.0030 2050 GLU 25 OE2 0.0098 -0.0010 -0.0048 2051 GLU 25 H 0.0066 -0.0002 0.0038 2052 GLU 25 HA 0.0140 -0.0027 0.0056 2053 GLU 25 HB3 0.0160 -0.0032 -0.0001 2054 GLU 25 HB2 0.0121 -0.0018 -0.0027 2055 GLU 25 HG3 0.0083 -0.0007 0.0010 2056 GLU 25 HG2 0.0123 -0.0021 0.0035 2057 ALA 26 N 0.0088 -0.0008 -0.0004 2058 ALA 26 CA 0.0084 -0.0006 -0.0022 2059 ALA 26 C 0.0082 -0.0006 0.0009 2060 ALA 26 O 0.0082 -0.0006 -0.0001 2061 ALA 26 CB 0.0049 0.0006 -0.0048 2062 ALA 26 H 0.0066 -0.0001 -0.0005 2063 ALA 26 HA 0.0108 -0.0013 -0.0041 2064 ALA 26 HB1 0.0047 0.0008 -0.0061 2065 ALA 26 HB2 0.0052 0.0006 -0.0070 2066 ALA 26 HB3 0.0024 0.0014 -0.0030 2067 PHE 27 N 0.0073 0.0010 0.0027 2068 PHE 27 CA 0.0068 0.0003 0.0061 2069 PHE 27 C 0.0106 -0.0017 0.0075 2070 PHE 27 O 0.0110 -0.0025 0.0097 2071 PHE 27 CB 0.0041 0.0005 0.0093 2072 PHE 27 CG 0.0002 0.0025 0.0083 2073 PHE 27 CD1 -0.0008 0.0040 0.0047 2074 PHE 27 CD2 -0.0025 0.0029 0.0110 2075 PHE 27 CE1 -0.0045 0.0058 0.0038 2076 PHE 27 CE2 -0.0062 0.0047 0.0101 2077 PHE 27 CZ -0.0071 0.0062 0.0065 2078 PHE 27 H 0.0076 0.0008 0.0031 2079 PHE 27 HA 0.0056 0.0011 0.0052 2080 PHE 27 HB3 0.0041 -0.0002 0.0120 2081 PHE 27 HB2 0.0052 -0.0002 0.0102 2082 PHE 27 HD1 0.0012 0.0037 0.0025 2083 PHE 27 HD2 -0.0018 0.0018 0.0139 2084 PHE 27 HE1 -0.0052 0.0070 0.0010 2085 PHE 27 HE2 -0.0082 0.0050 0.0123 2086 PHE 27 HZ -0.0100 0.0076 0.0058 2087 GLY 28 N 0.0133 -0.0025 0.0062 2088 GLY 28 CA 0.0171 -0.0045 0.0072 2089 GLY 28 C 0.0179 -0.0058 0.0106 2090 GLY 28 O 0.0209 -0.0075 0.0119 2091 GLY 28 H 0.0128 -0.0018 0.0045 2092 GLY 28 HA3 0.0176 -0.0049 0.0078 2093 GLY 28 HA2 0.0191 -0.0046 0.0046 2094 TRP 29 N 0.0130 -0.0088 0.0084 2095 TRP 29 CA 0.0130 -0.0090 0.0113 2096 TRP 29 C 0.0145 -0.0102 0.0093 2097 TRP 29 O 0.0129 -0.0087 0.0076 2098 TRP 29 CB 0.0097 -0.0063 0.0129 2099 TRP 29 CG 0.0079 -0.0049 0.0150 2100 TRP 29 CD1 0.0089 -0.0058 0.0157 2101 TRP 29 CD2 0.0047 -0.0022 0.0165 2102 TRP 29 NE1 0.0066 -0.0039 0.0176 2103 TRP 29 CE2 0.0040 -0.0016 0.0182 2104 TRP 29 CE3 0.0025 -0.0002 0.0167 2105 TRP 29 CZ2 0.0010 0.0008 0.0200 2106 TRP 29 CZ3 -0.0005 0.0022 0.0185 2107 TRP 29 CH2 -0.0012 0.0027 0.0201 2108 TRP 29 H 0.0109 -0.0069 0.0072 2109 TRP 29 HA 0.0144 -0.0104 0.0140 2110 TRP 29 HB3 0.0098 -0.0065 0.0151 2111 TRP 29 HB2 0.0084 -0.0049 0.0104 2112 TRP 29 HD1 0.0113 -0.0078 0.0148 2113 TRP 29 HE1 0.0069 -0.0043 0.0184 2114 TRP 29 HE3 0.0030 -0.0006 0.0155 2115 TRP 29 HZ2 0.0005 0.0011 0.0213 2116 TRP 29 HZ3 -0.0022 0.0037 0.0186 2117 TRP 29 HH2 -0.0035 0.0046 0.0215 2118 ASP 30 N 0.0176 -0.0129 0.0093 2119 ASP 30 CA 0.0193 -0.0142 0.0072 2120 ASP 30 C 0.0189 -0.0140 0.0097 2121 ASP 30 O 0.0196 -0.0146 0.0082 2122 ASP 30 CB 0.0228 -0.0172 0.0064 2123 ASP 30 CG 0.0245 -0.0190 0.0104 2124 ASP 30 OD1 0.0270 -0.0213 0.0107 2125 ASP 30 OD2 0.0232 -0.0181 0.0132 2126 ASP 30 H 0.0188 -0.0141 0.0109 2127 ASP 30 HA 0.0182 -0.0131 0.0042 2128 ASP 30 HB3 0.0230 -0.0173 0.0045 2129 ASP 30 HB2 0.0239 -0.0180 0.0046 2130 TRP 31 N 0.0148 -0.0149 0.0154 2131 TRP 31 CA 0.0142 -0.0129 0.0166 2132 TRP 31 C 0.0115 -0.0092 0.0147 2133 TRP 31 O 0.0106 -0.0075 0.0148 2134 TRP 31 CB 0.0156 -0.0119 0.0213 2135 TRP 31 CG 0.0153 -0.0099 0.0234 2136 TRP 31 CD1 0.0167 -0.0116 0.0245 2137 TRP 31 CD2 0.0136 -0.0057 0.0245 2138 TRP 31 NE1 0.0160 -0.0087 0.0264 2139 TRP 31 CE2 0.0140 -0.0051 0.0264 2140 TRP 31 CE3 0.0117 -0.0025 0.0241 2141 TRP 31 CZ2 0.0127 -0.0014 0.0279 2142 TRP 31 CZ3 0.0104 0.0012 0.0256 2143 TRP 31 CH2 0.0108 0.0018 0.0275 2144 TRP 31 H 0.0155 -0.0147 0.0174 2145 TRP 31 HA 0.0148 -0.0149 0.0154 2146 TRP 31 HB3 0.0175 -0.0146 0.0225 2147 TRP 31 HB2 0.0150 -0.0101 0.0221 2148 TRP 31 HD1 0.0182 -0.0148 0.0240 2149 TRP 31 HE1 0.0168 -0.0095 0.0274 2150 TRP 31 HE3 0.0114 -0.0029 0.0227 2151 TRP 31 HZ2 0.0130 -0.0010 0.0293 2152 TRP 31 HZ3 0.0089 0.0038 0.0254 2153 TRP 31 HH2 0.0097 0.0047 0.0286 2154 ILE 32 N 0.0101 -0.0080 0.0128 2155 ILE 32 CA 0.0075 -0.0050 0.0103 2156 ILE 32 C 0.0067 -0.0070 0.0058 2157 ILE 32 O 0.0073 -0.0094 0.0041 2158 ILE 32 CB 0.0062 -0.0023 0.0107 2159 ILE 32 CG1 0.0065 0.0004 0.0149 2160 ILE 32 CG2 0.0035 0.0002 0.0072 2161 ILE 32 CD1 0.0062 0.0020 0.0162 2162 ILE 32 H 0.0109 -0.0093 0.0132 2163 ILE 32 HA 0.0069 -0.0032 0.0113 2164 ILE 32 HB 0.0071 -0.0041 0.0104 2165 ILE 32 HG13 0.0083 -0.0012 0.0172 2166 ILE 32 HG12 0.0051 0.0028 0.0148 2167 ILE 32 HG21 0.0026 0.0021 0.0076 2168 ILE 32 HG22 0.0033 -0.0018 0.0042 2169 ILE 32 HG23 0.0026 0.0020 0.0074 2170 ILE 32 HD11 0.0064 0.0039 0.0193 2171 ILE 32 HD12 0.0076 -0.0005 0.0164 2172 ILE 32 HD13 0.0044 0.0037 0.0140 2173 ILE 33 N 0.0033 -0.0041 0.0074 2174 ILE 33 CA 0.0016 -0.0054 0.0051 2175 ILE 33 C 0.0019 -0.0038 0.0043 2176 ILE 33 O 0.0011 -0.0053 0.0041 2177 ILE 33 CB 0.0003 -0.0052 0.0023 2178 ILE 33 CG1 -0.0001 -0.0069 0.0031 2179 ILE 33 CG2 -0.0015 -0.0065 -0.0000 2180 ILE 33 CD1 -0.0009 -0.0061 0.0008 2181 ILE 33 H 0.0037 -0.0024 0.0067 2182 ILE 33 HA 0.0010 -0.0078 0.0060 2183 ILE 33 HB 0.0009 -0.0029 0.0015 2184 ILE 33 HG13 0.0011 -0.0065 0.0052 2185 ILE 33 HG12 -0.0010 -0.0093 0.0035 2186 ILE 33 HG21 -0.0024 -0.0063 -0.0020 2187 ILE 33 HG22 -0.0012 -0.0052 -0.0006 2188 ILE 33 HG23 -0.0021 -0.0088 0.0008 2189 ILE 33 HD11 -0.0011 -0.0075 0.0015 2190 ILE 33 HD12 0.0000 -0.0037 0.0005 2191 ILE 33 HD13 -0.0022 -0.0067 -0.0013 2192 ALA 34 N 0.0029 -0.0008 0.0038 2193 ALA 34 CA 0.0033 0.0010 0.0030 2194 ALA 34 C 0.0051 0.0041 0.0038 2195 ALA 34 O 0.0056 0.0053 0.0036 2196 ALA 34 CB 0.0018 0.0013 -0.0003 2197 ALA 34 H 0.0035 0.0003 0.0039 2198 ALA 34 HA 0.0035 -0.0001 0.0042 2199 ALA 34 HB1 0.0022 0.0026 -0.0009 2200 ALA 34 HB2 0.0006 -0.0009 -0.0009 2201 ALA 34 HB3 0.0017 0.0024 -0.0016 2202 PRO 35 N 0.0005 0.0056 0.0059 2203 PRO 35 CA 0.0004 0.0055 0.0039 2204 PRO 35 C 0.0011 0.0041 0.0049 2205 PRO 35 O 0.0014 0.0037 0.0074 2206 PRO 35 CB -0.0009 0.0083 0.0035 2207 PRO 35 CG -0.0013 0.0095 0.0062 2208 PRO 35 CD -0.0006 0.0081 0.0073 2209 PRO 35 HA 0.0006 0.0046 0.0020 2210 PRO 35 HB3 -0.0014 0.0090 0.0019 2211 PRO 35 HB2 -0.0011 0.0085 0.0031 2212 PRO 35 HG3 -0.0022 0.0115 0.0059 2213 PRO 35 HG2 -0.0011 0.0093 0.0076 2214 PRO 35 HD2 -0.0004 0.0079 0.0095 2215 PRO 35 HD3 -0.0011 0.0090 0.0067 2216 LYS 36 N 0.0013 0.0034 0.0031 2217 LYS 36 CA 0.0019 0.0021 0.0038 2218 LYS 36 C 0.0011 0.0041 0.0049 2219 LYS 36 O 0.0015 0.0035 0.0065 2220 LYS 36 CB 0.0024 0.0006 0.0014 2221 LYS 36 CG 0.0033 -0.0014 0.0002 2222 LYS 36 CD 0.0044 -0.0035 0.0022 2223 LYS 36 CE 0.0052 -0.0055 0.0011 2224 LYS 36 NZ 0.0061 -0.0071 0.0033 2225 LYS 36 H 0.0010 0.0037 0.0010 2226 LYS 36 HA 0.0026 0.0008 0.0055 2227 LYS 36 HB3 0.0029 -0.0002 0.0020 2228 LYS 36 HB2 0.0017 0.0019 -0.0002 2229 LYS 36 HG3 0.0035 -0.0021 -0.0017 2230 LYS 36 HG2 0.0029 -0.0005 -0.0002 2231 LYS 36 HD3 0.0041 -0.0027 0.0042 2232 LYS 36 HD2 0.0048 -0.0043 0.0027 2233 LYS 36 HE3 0.0057 -0.0067 -0.0004 2234 LYS 36 HE2 0.0047 -0.0046 0.0000 2235 LYS 36 HZ1 0.0057 -0.0060 0.0047 2236 LYS 36 HZ2 0.0066 -0.0084 0.0025 2237 LYS 36 HZ3 0.0066 -0.0079 0.0043 2238 ARG 37 N -0.0034 0.0054 0.0049 2239 ARG 37 CA -0.0046 0.0049 0.0040 2240 ARG 37 C -0.0064 0.0051 0.0050 2241 ARG 37 O -0.0069 0.0054 0.0060 2242 ARG 37 CB -0.0050 0.0043 0.0022 2243 ARG 37 CG -0.0035 0.0040 0.0009 2244 ARG 37 CD -0.0041 0.0033 -0.0009 2245 ARG 37 NE -0.0050 0.0032 -0.0011 2246 ARG 37 CZ -0.0041 0.0031 -0.0015 2247 ARG 37 NH1 -0.0023 0.0032 -0.0017 2248 ARG 37 NH2 -0.0049 0.0030 -0.0017 2249 ARG 37 H -0.0040 0.0055 0.0056 2250 ARG 37 HA -0.0039 0.0050 0.0039 2251 ARG 37 HB3 -0.0061 0.0040 0.0017 2252 ARG 37 HB2 -0.0056 0.0042 0.0023 2253 ARG 37 HG3 -0.0025 0.0042 0.0012 2254 ARG 37 HG2 -0.0028 0.0041 0.0010 2255 ARG 37 HD3 -0.0030 0.0031 -0.0018 2256 ARG 37 HD2 -0.0051 0.0031 -0.0012 2257 ARG 37 HE -0.0063 0.0031 -0.0009 2258 ARG 37 HH12 -0.0016 0.0032 -0.0020 2259 ARG 37 HH11 -0.0016 0.0034 -0.0016 2260 ARG 37 HH22 -0.0043 0.0029 -0.0020 2261 ARG 37 HH21 -0.0063 0.0029 -0.0015 2262 TYR 38 N -0.0073 0.0049 0.0047 2263 TYR 38 CA -0.0091 0.0050 0.0055 2264 TYR 38 C -0.0100 0.0045 0.0046 2265 TYR 38 O -0.0092 0.0044 0.0038 2266 TYR 38 CB -0.0090 0.0056 0.0074 2267 TYR 38 CG -0.0086 0.0058 0.0079 2268 TYR 38 CD1 -0.0069 0.0059 0.0077 2269 TYR 38 CD2 -0.0100 0.0059 0.0085 2270 TYR 38 CE1 -0.0066 0.0061 0.0081 2271 TYR 38 CE2 -0.0097 0.0060 0.0089 2272 TYR 38 CZ -0.0080 0.0062 0.0087 2273 TYR 38 OH -0.0076 0.0063 0.0091 2274 TYR 38 H -0.0068 0.0047 0.0039 2275 TYR 38 HA -0.0099 0.0048 0.0054 2276 TYR 38 HB3 -0.0079 0.0059 0.0080 2277 TYR 38 HB2 -0.0102 0.0057 0.0081 2278 TYR 38 HD1 -0.0058 0.0059 0.0072 2279 TYR 38 HD2 -0.0114 0.0058 0.0087 2280 TYR 38 HE1 -0.0052 0.0062 0.0079 2281 TYR 38 HE2 -0.0108 0.0061 0.0094 2282 TYR 38 HH -0.0087 0.0064 0.0096 2283 LYS 39 N -0.0147 0.0025 0.0094 2284 LYS 39 CA -0.0137 0.0009 0.0086 2285 LYS 39 C -0.0122 0.0022 0.0081 2286 LYS 39 O -0.0129 0.0034 0.0086 2287 LYS 39 CB -0.0155 -0.0006 0.0093 2288 LYS 39 CG -0.0169 -0.0023 0.0097 2289 LYS 39 CD -0.0186 -0.0037 0.0103 2290 LYS 39 CE -0.0208 -0.0030 0.0115 2291 LYS 39 NZ -0.0211 -0.0005 0.0121 2292 LYS 39 H -0.0161 0.0031 0.0102 2293 LYS 39 HA -0.0128 -0.0003 0.0080 2294 LYS 39 HB3 -0.0148 -0.0016 0.0087 2295 LYS 39 HB2 -0.0165 0.0005 0.0100 2296 LYS 39 HG3 -0.0176 -0.0012 0.0102 2297 LYS 39 HG2 -0.0158 -0.0034 0.0090 2298 LYS 39 HD3 -0.0185 -0.0056 0.0100 2299 LYS 39 HD2 -0.0183 -0.0035 0.0102 2300 LYS 39 HE3 -0.0210 -0.0030 0.0116 2301 LYS 39 HE2 -0.0220 -0.0042 0.0119 2302 LYS 39 HZ1 -0.0198 0.0006 0.0116 2303 LYS 39 HZ2 -0.0212 -0.0006 0.0121 2304 LYS 39 HZ3 -0.0224 0.0001 0.0128 2305 ALA 40 N -0.0102 0.0020 0.0070 2306 ALA 40 CA -0.0085 0.0032 0.0064 2307 ALA 40 C -0.0079 0.0016 0.0058 2308 ALA 40 O -0.0074 0.0025 0.0057 2309 ALA 40 CB -0.0066 0.0039 0.0055 2310 ALA 40 H -0.0097 0.0010 0.0066 2311 ALA 40 HA -0.0092 0.0047 0.0070 2312 ALA 40 HB1 -0.0054 0.0048 0.0051 2313 ALA 40 HB2 -0.0070 0.0052 0.0059 2314 ALA 40 HB3 -0.0059 0.0024 0.0050 2315 ASN 41 N -0.0063 0.0025 0.0078 2316 ASN 41 CA -0.0052 0.0015 0.0077 2317 ASN 41 C -0.0041 0.0018 0.0068 2318 ASN 41 O -0.0042 0.0027 0.0062 2319 ASN 41 CB -0.0050 0.0013 0.0077 2320 ASN 41 CG -0.0061 0.0012 0.0086 2321 ASN 41 OD1 -0.0064 0.0004 0.0094 2322 ASN 41 ND2 -0.0066 0.0020 0.0083 2323 ASN 41 H -0.0070 0.0022 0.0084 2324 ASN 41 HA -0.0052 0.0007 0.0084 2325 ASN 41 HB3 -0.0042 0.0005 0.0078 2326 ASN 41 HB2 -0.0047 0.0020 0.0070 2327 ASN 41 HD22 -0.0073 0.0020 0.0088 2328 ASN 41 HD21 -0.0062 0.0027 0.0076 2329 TYR 42 N -0.0030 0.0009 0.0067 2330 TYR 42 CA -0.0019 0.0011 0.0058 2331 TYR 42 C -0.0008 0.0002 0.0058 2332 TYR 42 O -0.0008 -0.0007 0.0065 2333 TYR 42 CB -0.0019 0.0011 0.0058 2334 TYR 42 CG -0.0016 -0.0001 0.0066 2335 TYR 42 CD1 -0.0026 -0.0006 0.0076 2336 TYR 42 CD2 -0.0005 -0.0008 0.0063 2337 TYR 42 CE1 -0.0024 -0.0017 0.0083 2338 TYR 42 CE2 -0.0003 -0.0019 0.0070 2339 TYR 42 CZ -0.0012 -0.0024 0.0080 2340 TYR 42 OH -0.0010 -0.0035 0.0087 2341 TYR 42 H -0.0029 0.0001 0.0073 2342 TYR 42 HA -0.0019 0.0020 0.0052 2343 TYR 42 HB3 -0.0027 0.0017 0.0059 2344 TYR 42 HB2 -0.0011 0.0014 0.0051 2345 TYR 42 HD1 -0.0035 -0.0001 0.0078 2346 TYR 42 HD2 0.0002 -0.0004 0.0055 2347 TYR 42 HE1 -0.0031 -0.0021 0.0091 2348 TYR 42 HE2 0.0006 -0.0024 0.0068 2349 TYR 42 HH -0.0003 -0.0036 0.0083 2350 CYS 43 N 0.0005 0.0044 0.0039 2351 CYS 43 CA 0.0002 0.0035 0.0034 2352 CYS 43 C 0.0013 0.0024 0.0021 2353 CYS 43 O 0.0028 0.0029 0.0016 2354 CYS 43 CB 0.0004 0.0046 0.0041 2355 CYS 43 SG -0.0008 0.0060 0.0057 2356 CYS 43 H 0.0015 0.0054 0.0040 2357 CYS 43 HA -0.0012 0.0028 0.0037 2358 CYS 43 HB3 0.0002 0.0039 0.0037 2359 CYS 43 HB2 0.0018 0.0053 0.0038 2360 SER 44 N 0.0006 0.0010 0.0015 2361 SER 44 CA 0.0016 -0.0001 0.0002 2362 SER 44 C 0.0007 -0.0014 -0.0002 2363 SER 44 O -0.0009 -0.0020 0.0002 2364 SER 44 CB 0.0019 -0.0009 -0.0005 2365 SER 44 OG 0.0028 -0.0021 -0.0018 2366 SER 44 H -0.0007 0.0006 0.0019 2367 SER 44 HA 0.0028 0.0005 -0.0001 2368 SER 44 HB3 0.0007 -0.0015 -0.0003 2369 SER 44 HB2 0.0026 0.0000 -0.0003 2370 SER 44 HG 0.0040 -0.0016 -0.0021 2371 GLY 45 N 0.0094 -0.0048 -0.0081 2372 GLY 45 CA 0.0047 -0.0085 -0.0102 2373 GLY 45 C 0.0097 -0.0052 -0.0085 2374 GLY 45 O 0.0164 0.0008 -0.0049 2375 GLY 45 H 0.0171 -0.0033 -0.0080 2376 GLY 45 HA3 -0.0036 -0.0075 -0.0084 2377 GLY 45 HA2 0.0050 -0.0153 -0.0153 2378 GLN 46 N 0.0065 -0.0093 -0.0111 2379 GLN 46 CA 0.0107 -0.0073 -0.0101 2380 GLN 46 C 0.0056 0.0001 -0.0039 2381 GLN 46 O -0.0035 0.0013 -0.0018 2382 GLN 46 CB 0.0092 -0.0149 -0.0156 2383 GLN 46 CG 0.0135 -0.0229 -0.0221 2384 GLN 46 CD 0.0251 -0.0218 -0.0229 2385 GLN 46 OE1 0.0282 -0.0230 -0.0242 2386 GLN 46 NE2 0.0313 -0.0200 -0.0224 2387 GLN 46 H 0.0009 -0.0141 -0.0139 2388 GLN 46 HA 0.0191 -0.0055 -0.0099 2389 GLN 46 HB3 0.0126 -0.0133 -0.0148 2390 GLN 46 HB2 0.0009 -0.0162 -0.0154 2391 GLN 46 HG3 0.0118 -0.0279 -0.0257 2392 GLN 46 HG2 0.0095 -0.0249 -0.0231 2393 GLN 46 HE22 0.0390 -0.0193 -0.0229 2394 GLN 46 HE21 0.0287 -0.0191 -0.0214 2395 CYS 47 N 0.0034 -0.0027 0.0052 2396 CYS 47 CA 0.0012 0.0019 0.0079 2397 CYS 47 C 0.0012 0.0042 0.0105 2398 CYS 47 O 0.0040 0.0050 0.0144 2399 CYS 47 CB 0.0034 0.0027 0.0112 2400 CYS 47 SG 0.0026 0.0011 0.0085 2401 CYS 47 H 0.0064 -0.0042 0.0067 2402 CYS 47 HA -0.0021 0.0031 0.0057 2403 CYS 47 HB3 0.0022 0.0060 0.0136 2404 CYS 47 HB2 0.0069 0.0010 0.0130 2405 GLU 48 N -0.0020 0.0053 0.0083 2406 GLU 48 CA -0.0023 0.0075 0.0104 2407 GLU 48 C -0.0063 0.0120 0.0112 2408 GLU 48 O -0.0094 0.0129 0.0089 2409 GLU 48 CB -0.0024 0.0050 0.0076 2410 GLU 48 CG 0.0019 0.0007 0.0074 2411 GLU 48 CD 0.0015 -0.0027 0.0032 2412 GLU 48 OE1 -0.0020 -0.0016 0.0006 2413 GLU 48 OE2 0.0047 -0.0064 0.0025 2414 GLU 48 H -0.0043 0.0047 0.0052 2415 GLU 48 HA 0.0005 0.0077 0.0137 2416 GLU 48 HB3 -0.0030 0.0068 0.0089 2417 GLU 48 HB2 -0.0050 0.0044 0.0042 2418 GLU 48 HG3 0.0034 -0.0004 0.0077 2419 GLU 48 HG2 0.0042 0.0011 0.0103 2420 TYR 49 N -0.0215 0.0159 0.0232 2421 TYR 49 CA -0.0189 0.0175 0.0212 2422 TYR 49 C -0.0140 0.0095 0.0157 2423 TYR 49 O -0.0165 0.0006 0.0162 2424 TYR 49 CB -0.0144 0.0279 0.0194 2425 TYR 49 CG -0.0192 0.0360 0.0248 2426 TYR 49 CD1 -0.0249 0.0389 0.0301 2427 TYR 49 CD2 -0.0182 0.0406 0.0248 2428 TYR 49 CE1 -0.0294 0.0463 0.0351 2429 TYR 49 CE2 -0.0226 0.0480 0.0298 2430 TYR 49 CZ -0.0282 0.0508 0.0349 2431 TYR 49 OH -0.0326 0.0581 0.0399 2432 TYR 49 H -0.0273 0.0160 0.0280 2433 TYR 49 HA -0.0240 0.0172 0.0255 2434 TYR 49 HB3 -0.0126 0.0290 0.0180 2435 TYR 49 HB2 -0.0092 0.0283 0.0151 2436 TYR 49 HD1 -0.0260 0.0354 0.0303 2437 TYR 49 HD2 -0.0138 0.0385 0.0207 2438 TYR 49 HE1 -0.0338 0.0485 0.0392 2439 TYR 49 HE2 -0.0217 0.0516 0.0296 2440 TYR 49 HH -0.0362 0.0591 0.0431 2441 MET 50 N -0.0071 0.0124 0.0105 2442 MET 50 CA -0.0024 0.0051 0.0053 2443 MET 50 C 0.0048 0.0043 -0.0009 2444 MET 50 O 0.0098 -0.0007 -0.0060 2445 MET 50 CB -0.0000 0.0077 0.0037 2446 MET 50 CG -0.0067 0.0094 0.0096 2447 MET 50 SD -0.0035 0.0126 0.0075 2448 MET 50 CE -0.0002 0.0011 0.0027 2449 MET 50 H -0.0051 0.0197 0.0102 2450 MET 50 HA -0.0059 -0.0021 0.0069 2451 MET 50 HB3 0.0031 0.0019 0.0001 2452 MET 50 HB2 0.0042 0.0144 0.0014 2453 MET 50 HG3 -0.0098 0.0153 0.0133 2454 MET 50 HG2 -0.0108 0.0026 0.0118 2455 MET 50 HE1 0.0020 0.0017 0.0009 2456 MET 50 HE2 0.0044 -0.0005 -0.0014 2457 MET 50 HE3 -0.0050 -0.0048 0.0057 2458 PHE 51 N -0.0182 0.0121 0.0112 2459 PHE 51 CA -0.0165 0.0112 0.0070 2460 PHE 51 C -0.0136 0.0079 0.0074 2461 PHE 51 O -0.0119 0.0056 0.0100 2462 PHE 51 CB -0.0159 0.0110 0.0040 2463 PHE 51 CG -0.0187 0.0142 0.0031 2464 PHE 51 CD1 -0.0212 0.0171 0.0018 2465 PHE 51 CD2 -0.0189 0.0144 0.0036 2466 PHE 51 CE1 -0.0238 0.0201 0.0010 2467 PHE 51 CE2 -0.0216 0.0174 0.0028 2468 PHE 51 CZ -0.0240 0.0202 0.0015 2469 PHE 51 H -0.0185 0.0123 0.0117 2470 PHE 51 HA -0.0180 0.0130 0.0055 2471 PHE 51 HB3 -0.0146 0.0103 0.0009 2472 PHE 51 HB2 -0.0144 0.0092 0.0054 2473 PHE 51 HD1 -0.0210 0.0170 0.0015 2474 PHE 51 HD2 -0.0171 0.0122 0.0046 2475 PHE 51 HE1 -0.0257 0.0223 0.0001 2476 PHE 51 HE2 -0.0217 0.0174 0.0031 2477 PHE 51 HZ -0.0260 0.0225 0.0009 2478 MET 52 N -0.0130 0.0078 0.0047 2479 MET 52 CA -0.0100 0.0048 0.0041 2480 MET 52 C -0.0093 0.0031 0.0084 2481 MET 52 O -0.0066 0.0002 0.0090 2482 MET 52 CB -0.0074 0.0023 0.0022 2483 MET 52 CG -0.0082 0.0039 -0.0015 2484 MET 52 SD -0.0093 0.0059 -0.0060 2485 MET 52 CE -0.0056 0.0025 -0.0086 2486 MET 52 H -0.0145 0.0098 0.0029 2487 MET 52 HA -0.0102 0.0054 0.0018 2488 MET 52 HB3 -0.0054 0.0004 0.0010 2489 MET 52 HB2 -0.0067 0.0011 0.0048 2490 MET 52 HG3 -0.0063 0.0021 -0.0026 2491 MET 52 HG2 -0.0101 0.0057 -0.0002 2492 MET 52 HE1 -0.0059 0.0034 -0.0115 2493 MET 52 HE2 -0.0041 0.0011 -0.0096 2494 MET 52 HE3 -0.0046 0.0010 -0.0063 2495 GLN 53 N -0.0029 0.0021 0.0105 2496 GLN 53 CA -0.0032 0.0017 0.0102 2497 GLN 53 C -0.0028 0.0011 0.0103 2498 GLN 53 O -0.0023 0.0007 0.0106 2499 GLN 53 CB -0.0037 0.0014 0.0097 2500 GLN 53 CG -0.0043 0.0020 0.0094 2501 GLN 53 CD -0.0048 0.0016 0.0089 2502 GLN 53 OE1 -0.0048 0.0010 0.0087 2503 GLN 53 NE2 -0.0052 0.0021 0.0087 2504 GLN 53 H -0.0028 0.0019 0.0106 2505 GLN 53 HA -0.0035 0.0020 0.0101 2506 GLN 53 HB3 -0.0039 0.0009 0.0094 2507 GLN 53 HB2 -0.0035 0.0011 0.0097 2508 GLN 53 HG3 -0.0042 0.0024 0.0096 2509 GLN 53 HG2 -0.0045 0.0022 0.0093 2510 GLN 53 HE22 -0.0055 0.0019 0.0084 2511 GLN 53 HE21 -0.0051 0.0027 0.0089 2512 LYS 54 N -0.0029 0.0009 0.0102 2513 LYS 54 CA -0.0024 0.0004 0.0104 2514 LYS 54 C -0.0027 -0.0003 0.0099 2515 LYS 54 O -0.0024 -0.0010 0.0100 2516 LYS 54 CB -0.0023 0.0007 0.0106 2517 LYS 54 CG -0.0020 0.0002 0.0106 2518 LYS 54 CD -0.0020 0.0006 0.0108 2519 LYS 54 CE -0.0016 0.0001 0.0110 2520 LYS 54 NZ -0.0016 0.0005 0.0111 2521 LYS 54 H -0.0032 0.0012 0.0100 2522 LYS 54 HA -0.0020 0.0002 0.0107 2523 LYS 54 HB3 -0.0027 0.0011 0.0103 2524 LYS 54 HB2 -0.0020 0.0011 0.0109 2525 LYS 54 HG3 -0.0016 -0.0001 0.0109 2526 LYS 54 HG2 -0.0023 -0.0002 0.0103 2527 LYS 54 HD3 -0.0024 0.0008 0.0105 2528 LYS 54 HD2 -0.0018 0.0011 0.0112 2529 LYS 54 HE3 -0.0011 0.0001 0.0114 2530 LYS 54 HE2 -0.0017 -0.0004 0.0107 2531 LYS 54 HZ1 -0.0016 0.0010 0.0112 2532 LYS 54 HZ2 -0.0020 0.0004 0.0107 2533 LYS 54 HZ3 -0.0012 0.0003 0.0113 2534 TYR 55 N -0.0008 -0.0068 0.0138 2535 TYR 55 CA -0.0006 -0.0076 0.0108 2536 TYR 55 C 0.0000 -0.0095 0.0082 2537 TYR 55 O -0.0003 -0.0088 0.0076 2538 TYR 55 CB -0.0019 -0.0047 0.0093 2539 TYR 55 CG -0.0024 -0.0032 0.0115 2540 TYR 55 CD1 -0.0016 -0.0049 0.0130 2541 TYR 55 CD2 -0.0037 -0.0000 0.0120 2542 TYR 55 CE1 -0.0021 -0.0035 0.0150 2543 TYR 55 CE2 -0.0042 0.0014 0.0140 2544 TYR 55 CZ -0.0034 -0.0003 0.0154 2545 TYR 55 OH -0.0039 0.0011 0.0174 2546 TYR 55 H -0.0015 -0.0051 0.0136 2547 TYR 55 HA 0.0001 -0.0090 0.0116 2548 TYR 55 HB3 -0.0018 -0.0053 0.0069 2549 TYR 55 HB2 -0.0026 -0.0031 0.0088 2550 TYR 55 HD1 -0.0006 -0.0073 0.0126 2551 TYR 55 HD2 -0.0044 0.0014 0.0109 2552 TYR 55 HE1 -0.0015 -0.0048 0.0161 2553 TYR 55 HE2 -0.0052 0.0039 0.0143 2554 TYR 55 HH -0.0033 -0.0003 0.0177 2555 PRO 56 N 0.0009 -0.0118 0.0067 2556 PRO 56 CA 0.0017 -0.0139 0.0042 2557 PRO 56 C 0.0008 -0.0122 0.0011 2558 PRO 56 O 0.0012 -0.0134 -0.0007 2559 PRO 56 CB 0.0026 -0.0162 0.0035 2560 PRO 56 CG 0.0020 -0.0147 0.0044 2561 PRO 56 CD 0.0013 -0.0126 0.0073 2562 PRO 56 HA 0.0022 -0.0150 0.0053 2563 PRO 56 HB3 0.0036 -0.0182 0.0051 2564 PRO 56 HB2 0.0027 -0.0168 0.0008 2565 PRO 56 HG3 0.0028 -0.0164 0.0052 2566 PRO 56 HG2 0.0013 -0.0133 0.0024 2567 PRO 56 HD2 0.0004 -0.0106 0.0072 2568 PRO 56 HD3 0.0020 -0.0139 0.0096 2569 HIS 57 N 0.0025 -0.0086 0.0023 2570 HIS 57 CA 0.0011 -0.0078 0.0008 2571 HIS 57 C 0.0004 -0.0063 0.0006 2572 HIS 57 O -0.0007 -0.0063 -0.0008 2573 HIS 57 CB 0.0006 -0.0069 0.0007 2574 HIS 57 CG -0.0008 -0.0061 -0.0009 2575 HIS 57 ND1 -0.0017 -0.0043 -0.0010 2576 HIS 57 CD2 -0.0016 -0.0070 -0.0024 2577 HIS 57 CE1 -0.0029 -0.0040 -0.0025 2578 HIS 57 NE2 -0.0029 -0.0056 -0.0034 2579 HIS 57 H 0.0031 -0.0084 0.0031 2580 HIS 57 HA 0.0008 -0.0091 -0.0003 2581 HIS 57 HB3 0.0010 -0.0057 0.0018 2582 HIS 57 HB2 0.0011 -0.0080 0.0007 2583 HIS 57 HD2 -0.0012 -0.0085 -0.0027 2584 HIS 57 HE1 -0.0037 -0.0026 -0.0028 2585 HIS 57 HE2 -0.0037 -0.0059 -0.0046 2586 THR 58 N 0.0009 -0.0051 0.0021 2587 THR 58 CA 0.0003 -0.0035 0.0021 2588 THR 58 C 0.0002 -0.0044 0.0014 2589 THR 58 O -0.0009 -0.0037 0.0003 2590 THR 58 CB 0.0012 -0.0024 0.0040 2591 THR 58 OG1 0.0014 -0.0015 0.0047 2592 THR 58 CG2 0.0006 -0.0007 0.0041 2593 THR 58 H 0.0017 -0.0051 0.0032 2594 THR 58 HA -0.0006 -0.0025 0.0014 2595 THR 58 HB 0.0022 -0.0033 0.0048 2596 THR 58 HG1 0.0007 -0.0002 0.0044 2597 THR 58 HG21 0.0013 0.0001 0.0054 2598 THR 58 HG22 0.0005 -0.0013 0.0036 2599 THR 58 HG23 -0.0004 0.0003 0.0033 2600 HIS 59 N 0.0018 -0.0078 -0.0025 2601 HIS 59 CA 0.0025 -0.0078 -0.0022 2602 HIS 59 C 0.0019 -0.0083 -0.0032 2603 HIS 59 O 0.0017 -0.0080 -0.0028 2604 HIS 59 CB 0.0043 -0.0081 -0.0021 2605 HIS 59 CG 0.0051 -0.0081 -0.0019 2606 HIS 59 ND1 0.0051 -0.0073 -0.0006 2607 HIS 59 CD2 0.0059 -0.0088 -0.0026 2608 HIS 59 CE1 0.0059 -0.0075 -0.0007 2609 HIS 59 NE2 0.0064 -0.0084 -0.0019 2610 HIS 59 H 0.0025 -0.0081 -0.0028 2611 HIS 59 HA 0.0022 -0.0070 -0.0012 2612 HIS 59 HB3 0.0046 -0.0088 -0.0031 2613 HIS 59 HB2 0.0047 -0.0077 -0.0014 2614 HIS 59 HD2 0.0061 -0.0094 -0.0036 2615 HIS 59 HE1 0.0060 -0.0070 0.0002 2616 HIS 59 HE2 0.0071 -0.0088 -0.0023 2617 LEU 60 N 0.0016 -0.0090 -0.0044 2618 LEU 60 CA 0.0011 -0.0096 -0.0055 2619 LEU 60 C -0.0006 -0.0092 -0.0054 2620 LEU 60 O -0.0010 -0.0093 -0.0056 2621 LEU 60 CB 0.0012 -0.0105 -0.0069 2622 LEU 60 CG 0.0029 -0.0111 -0.0071 2623 LEU 60 CD1 0.0030 -0.0119 -0.0083 2624 LEU 60 CD2 0.0038 -0.0114 -0.0073 2625 LEU 60 H 0.0018 -0.0093 -0.0047 2626 LEU 60 HA 0.0019 -0.0097 -0.0054 2627 LEU 60 HB3 0.0007 -0.0109 -0.0076 2628 LEU 60 HB2 0.0006 -0.0105 -0.0070 2629 LEU 60 HG 0.0035 -0.0106 -0.0062 2630 LEU 60 HD11 0.0042 -0.0122 -0.0085 2631 LEU 60 HD12 0.0024 -0.0116 -0.0081 2632 LEU 60 HD13 0.0023 -0.0123 -0.0092 2633 LEU 60 HD21 0.0050 -0.0117 -0.0075 2634 LEU 60 HD22 0.0032 -0.0118 -0.0082 2635 LEU 60 HD23 0.0038 -0.0108 -0.0064 2636 VAL 61 N -0.0019 -0.0071 0.0003 2637 VAL 61 CA -0.0037 -0.0056 -0.0003 2638 VAL 61 C -0.0040 -0.0047 0.0003 2639 VAL 61 O -0.0052 -0.0044 -0.0008 2640 VAL 61 CB -0.0044 -0.0041 0.0004 2641 VAL 61 CG1 -0.0061 -0.0023 0.0000 2642 VAL 61 CG2 -0.0045 -0.0049 -0.0005 2643 VAL 61 H -0.0012 -0.0069 0.0013 2644 VAL 61 HA -0.0045 -0.0063 -0.0018 2645 VAL 61 HB -0.0034 -0.0036 0.0019 2646 VAL 61 HG11 -0.0065 -0.0012 0.0006 2647 VAL 61 HG12 -0.0060 -0.0017 0.0008 2648 VAL 61 HG13 -0.0071 -0.0028 -0.0014 2649 VAL 61 HG21 -0.0050 -0.0038 -0.0000 2650 VAL 61 HG22 -0.0055 -0.0054 -0.0020 2651 VAL 61 HG23 -0.0033 -0.0061 -0.0002 2652 GLN 62 N -0.0027 -0.0043 0.0020 2653 GLN 62 CA -0.0028 -0.0034 0.0026 2654 GLN 62 C -0.0029 -0.0047 0.0014 2655 GLN 62 O -0.0038 -0.0040 0.0010 2656 GLN 62 CB -0.0012 -0.0031 0.0046 2657 GLN 62 CG -0.0014 -0.0013 0.0061 2658 GLN 62 CD 0.0003 -0.0012 0.0080 2659 GLN 62 OE1 0.0016 -0.0024 0.0084 2660 GLN 62 NE2 0.0002 0.0003 0.0092 2661 GLN 62 H -0.0017 -0.0046 0.0028 2662 GLN 62 HA -0.0040 -0.0020 0.0026 2663 GLN 62 HB3 -0.0010 -0.0030 0.0050 2664 GLN 62 HB2 -0.0000 -0.0044 0.0048 2665 GLN 62 HG3 -0.0018 -0.0014 0.0056 2666 GLN 62 HG2 -0.0025 -0.0000 0.0060 2667 GLN 62 HE22 0.0013 0.0004 0.0105 2668 GLN 62 HE21 -0.0009 0.0012 0.0089 2669 GLN 63 N 0.0018 -0.0105 -0.0024 2670 GLN 63 CA 0.0028 -0.0099 -0.0021 2671 GLN 63 C 0.0029 -0.0099 -0.0019 2672 GLN 63 O 0.0035 -0.0099 -0.0011 2673 GLN 63 CB 0.0031 -0.0091 -0.0029 2674 GLN 63 CG 0.0032 -0.0090 -0.0030 2675 GLN 63 CD 0.0038 -0.0082 -0.0035 2676 GLN 63 OE1 0.0037 -0.0078 -0.0043 2677 GLN 63 NE2 0.0045 -0.0080 -0.0030 2678 GLN 63 H 0.0015 -0.0103 -0.0031 2679 GLN 63 HA 0.0031 -0.0101 -0.0015 2680 GLN 63 HB3 0.0038 -0.0087 -0.0028 2681 GLN 63 HB2 0.0027 -0.0091 -0.0036 2682 GLN 63 HG3 0.0025 -0.0093 -0.0034 2683 GLN 63 HG2 0.0034 -0.0093 -0.0023 2684 GLN 63 HE22 0.0050 -0.0074 -0.0033 2685 GLN 63 HE21 0.0046 -0.0083 -0.0023 2686 ALA 64 N 0.0024 -0.0100 -0.0025 2687 ALA 64 CA 0.0025 -0.0100 -0.0023 2688 ALA 64 C 0.0023 -0.0107 -0.0015 2689 ALA 64 O 0.0027 -0.0107 -0.0009 2690 ALA 64 CB 0.0020 -0.0099 -0.0032 2691 ALA 64 H 0.0020 -0.0099 -0.0031 2692 ALA 64 HA 0.0032 -0.0095 -0.0022 2693 ALA 64 HB1 0.0021 -0.0099 -0.0031 2694 ALA 64 HB2 0.0022 -0.0093 -0.0038 2695 ALA 64 HB3 0.0013 -0.0103 -0.0034 2696 ASN 65 N -0.0030 -0.0047 0.0003 2697 ASN 65 CA -0.0027 -0.0044 -0.0001 2698 ASN 65 C -0.0024 -0.0040 -0.0004 2699 ASN 65 O -0.0022 -0.0040 -0.0010 2700 ASN 65 CB -0.0028 -0.0049 -0.0007 2701 ASN 65 CG -0.0025 -0.0046 -0.0011 2702 ASN 65 OD1 -0.0025 -0.0049 -0.0017 2703 ASN 65 ND2 -0.0023 -0.0042 -0.0008 2704 ASN 65 H -0.0032 -0.0048 0.0008 2705 ASN 65 HA -0.0027 -0.0042 0.0002 2706 ASN 65 HB3 -0.0028 -0.0051 -0.0010 2707 ASN 65 HB2 -0.0031 -0.0053 -0.0004 2708 ASN 65 HD22 -0.0022 -0.0040 -0.0011 2709 ASN 65 HD21 -0.0024 -0.0040 -0.0004 2710 PRO 66 N -0.0022 -0.0035 -0.0000 2711 PRO 66 CA -0.0019 -0.0031 -0.0003 2712 PRO 66 C -0.0015 -0.0026 -0.0006 2713 PRO 66 O -0.0016 -0.0026 -0.0005 2714 PRO 66 CB -0.0019 -0.0027 0.0003 2715 PRO 66 CG -0.0021 -0.0027 0.0009 2716 PRO 66 CD -0.0024 -0.0033 0.0007 2717 PRO 66 HA -0.0019 -0.0033 -0.0006 2718 PRO 66 HB3 -0.0020 -0.0029 0.0005 2719 PRO 66 HB2 -0.0016 -0.0022 0.0003 2720 PRO 66 HG3 -0.0022 -0.0027 0.0013 2721 PRO 66 HG2 -0.0019 -0.0024 0.0009 2722 PRO 66 HD2 -0.0024 -0.0033 0.0008 2723 PRO 66 HD3 -0.0026 -0.0037 0.0010 2724 ARG 67 N 0.0063 -0.0006 0.0072 2725 ARG 67 CA 0.0065 -0.0042 0.0086 2726 ARG 67 C 0.0045 -0.0066 0.0063 2727 ARG 67 O 0.0037 -0.0059 0.0048 2728 ARG 67 CB 0.0082 -0.0043 0.0112 2729 ARG 67 CG 0.0100 -0.0054 0.0142 2730 ARG 67 CD 0.0117 -0.0052 0.0167 2731 ARG 67 NE 0.0110 -0.0070 0.0161 2732 ARG 67 CZ 0.0115 -0.0056 0.0165 2733 ARG 67 NH1 0.0127 -0.0025 0.0174 2734 ARG 67 NH2 0.0108 -0.0074 0.0159 2735 ARG 67 H 0.0072 0.0012 0.0080 2736 ARG 67 HA 0.0069 -0.0051 0.0094 2737 ARG 67 HB3 0.0077 -0.0061 0.0109 2738 ARG 67 HB2 0.0088 -0.0018 0.0113 2739 ARG 67 HG3 0.0105 -0.0037 0.0145 2740 ARG 67 HG2 0.0095 -0.0081 0.0142 2741 ARG 67 HD3 0.0124 -0.0025 0.0170 2742 ARG 67 HD2 0.0129 -0.0064 0.0187 2743 ARG 67 HE 0.0101 -0.0094 0.0154 2744 ARG 67 HH12 0.0131 -0.0014 0.0177 2745 ARG 67 HH11 0.0133 -0.0011 0.0178 2746 ARG 67 HH22 0.0112 -0.0063 0.0162 2747 ARG 67 HH21 0.0098 -0.0098 0.0152 2748 GLY 68 N 0.0038 -0.0094 0.0061 2749 GLY 68 CA 0.0020 -0.0120 0.0042 2750 GLY 68 C 0.0001 -0.0114 0.0011 2751 GLY 68 O -0.0016 -0.0133 -0.0008 2752 GLY 68 H 0.0045 -0.0098 0.0073 2753 GLY 68 HA3 0.0019 -0.0122 0.0041 2754 GLY 68 HA2 0.0022 -0.0146 0.0052 2755 SER 69 N -0.0040 0.0005 -0.0007 2756 SER 69 CA -0.0014 0.0002 0.0011 2757 SER 69 C -0.0007 0.0034 0.0008 2758 SER 69 O -0.0024 0.0041 -0.0006 2759 SER 69 CB -0.0019 -0.0030 0.0017 2760 SER 69 OG -0.0035 -0.0025 0.0005 2761 SER 69 H -0.0060 -0.0005 -0.0018 2762 SER 69 HA 0.0004 0.0000 0.0024 2763 SER 69 HB3 -0.0031 -0.0051 0.0014 2764 SER 69 HB2 0.0002 -0.0037 0.0033 2765 SER 69 HG -0.0055 -0.0031 -0.0008 2766 ALA 70 N 0.0018 0.0053 0.0019 2767 ALA 70 CA 0.0027 0.0086 0.0016 2768 ALA 70 C 0.0041 0.0083 0.0027 2769 ALA 70 O 0.0046 0.0108 0.0023 2770 ALA 70 CB 0.0048 0.0109 0.0024 2771 ALA 70 H 0.0032 0.0046 0.0031 2772 ALA 70 HA 0.0007 0.0098 -0.0000 2773 ALA 70 HB1 0.0054 0.0134 0.0022 2774 ALA 70 HB2 0.0037 0.0114 0.0016 2775 ALA 70 HB3 0.0067 0.0098 0.0041 2776 GLY 71 N 0.0017 0.0077 0.0031 2777 GLY 71 CA 0.0007 0.0069 0.0034 2778 GLY 71 C 0.0018 0.0073 0.0050 2779 GLY 71 O 0.0033 0.0081 0.0057 2780 GLY 71 H 0.0017 0.0074 0.0040 2781 GLY 71 HA3 0.0005 0.0071 0.0020 2782 GLY 71 HA2 -0.0005 0.0060 0.0039 2783 PRO 72 N 0.0010 0.0066 0.0058 2784 PRO 72 CA 0.0020 0.0069 0.0074 2785 PRO 72 C 0.0035 0.0081 0.0066 2786 PRO 72 O 0.0034 0.0084 0.0049 2787 PRO 72 CB 0.0007 0.0059 0.0079 2788 PRO 72 CG -0.0010 0.0049 0.0069 2789 PRO 72 CD -0.0007 0.0056 0.0051 2790 PRO 72 HA 0.0024 0.0069 0.0087 2791 PRO 72 HB3 0.0007 0.0055 0.0095 2792 PRO 72 HB2 0.0009 0.0062 0.0072 2793 PRO 72 HG3 -0.0016 0.0043 0.0080 2794 PRO 72 HG2 -0.0019 0.0045 0.0065 2795 PRO 72 HD2 -0.0006 0.0059 0.0039 2796 PRO 72 HD3 -0.0016 0.0050 0.0049 2797 CYS 73 N 0.0080 0.0063 0.0002 2798 CYS 73 CA 0.0081 0.0063 0.0002 2799 CYS 73 C 0.0071 0.0061 0.0009 2800 CYS 73 O 0.0065 0.0064 0.0016 2801 CYS 73 CB 0.0089 0.0072 0.0002 2802 CYS 73 SG 0.0088 0.0085 0.0012 2803 CYS 73 H 0.0079 0.0069 0.0008 2804 CYS 73 HA 0.0083 0.0056 -0.0005 2805 CYS 73 HB3 0.0097 0.0073 -0.0004 2806 CYS 73 HB2 0.0090 0.0072 0.0001 2807 CYS 74 N 0.0069 0.0056 0.0006 2808 CYS 74 CA 0.0061 0.0055 0.0012 2809 CYS 74 C 0.0063 0.0065 0.0018 2810 CYS 74 O 0.0069 0.0069 0.0016 2811 CYS 74 CB 0.0059 0.0046 0.0008 2812 CYS 74 SG 0.0047 0.0043 0.0015 2813 CYS 74 H 0.0074 0.0053 0.0000 2814 CYS 74 HA 0.0054 0.0053 0.0016 2815 CYS 74 HB3 0.0065 0.0048 0.0004 2816 CYS 74 HB2 0.0059 0.0039 0.0003 2817 THR 75 N 0.0043 0.0057 0.0016 2818 THR 75 CA 0.0036 0.0064 0.0012 2819 THR 75 C 0.0028 0.0068 0.0010 2820 THR 75 O 0.0029 0.0067 0.0010 2821 THR 75 CB 0.0043 0.0071 0.0007 2822 THR 75 OG1 0.0038 0.0075 0.0005 2823 THR 75 CG2 0.0046 0.0078 0.0003 2824 THR 75 H 0.0045 0.0058 0.0015 2825 THR 75 HA 0.0032 0.0060 0.0014 2826 THR 75 HB 0.0051 0.0068 0.0009 2827 THR 75 HG1 0.0043 0.0077 0.0004 2828 THR 75 HG21 0.0051 0.0084 -0.0001 2829 THR 75 HG22 0.0050 0.0075 0.0005 2830 THR 75 HG23 0.0038 0.0081 0.0001 2831 PRO 76 N 0.0019 0.0071 0.0008 2832 PRO 76 CA 0.0010 0.0075 0.0006 2833 PRO 76 C 0.0014 0.0083 0.0001 2834 PRO 76 O 0.0020 0.0089 -0.0003 2835 PRO 76 CB 0.0002 0.0078 0.0004 2836 PRO 76 CG 0.0003 0.0071 0.0008 2837 PRO 76 CD 0.0015 0.0070 0.0009 2838 PRO 76 HA 0.0007 0.0070 0.0009 2839 PRO 76 HB3 -0.0006 0.0077 0.0005 2840 PRO 76 HB2 0.0003 0.0085 0.0000 2841 PRO 76 HG3 -0.0001 0.0065 0.0012 2842 PRO 76 HG2 0.0000 0.0075 0.0006 2843 PRO 76 HD2 0.0018 0.0075 0.0005 2844 PRO 76 HD3 0.0017 0.0063 0.0013 2845 THR 77 N 0.0003 0.0075 0.0052 2846 THR 77 CA 0.0002 0.0099 0.0050 2847 THR 77 C -0.0012 0.0103 0.0033 2848 THR 77 O -0.0014 0.0122 0.0029 2849 THR 77 CB 0.0003 0.0115 0.0050 2850 THR 77 OG1 -0.0008 0.0107 0.0038 2851 THR 77 CG2 0.0018 0.0114 0.0069 2852 THR 77 H -0.0004 0.0068 0.0044 2853 THR 77 HA 0.0011 0.0104 0.0061 2854 THR 77 HB 0.0001 0.0132 0.0047 2855 THR 77 HG1 -0.0006 0.0092 0.0040 2856 THR 77 HG21 0.0018 0.0125 0.0069 2857 THR 77 HG22 0.0026 0.0120 0.0078 2858 THR 77 HG23 0.0021 0.0097 0.0072 2859 LYS 78 N -0.0022 0.0086 0.0022 2860 LYS 78 CA -0.0035 0.0087 0.0006 2861 LYS 78 C -0.0040 0.0063 0.0001 2862 LYS 78 O -0.0041 0.0047 0.0000 2863 LYS 78 CB -0.0047 0.0098 -0.0009 2864 LYS 78 CG -0.0061 0.0101 -0.0025 2865 LYS 78 CD -0.0074 0.0111 -0.0041 2866 LYS 78 CE -0.0087 0.0113 -0.0057 2867 LYS 78 NZ -0.0100 0.0122 -0.0072 2868 LYS 78 H -0.0020 0.0072 0.0025 2869 LYS 78 HA -0.0033 0.0097 0.0008 2870 LYS 78 HB3 -0.0050 0.0087 -0.0012 2871 LYS 78 HB2 -0.0044 0.0114 -0.0005 2872 LYS 78 HG3 -0.0058 0.0113 -0.0022 2873 LYS 78 HG2 -0.0065 0.0085 -0.0029 2874 LYS 78 HD3 -0.0076 0.0101 -0.0043 2875 LYS 78 HD2 -0.0070 0.0128 -0.0037 2876 LYS 78 HE3 -0.0085 0.0124 -0.0055 2877 LYS 78 HE2 -0.0091 0.0096 -0.0061 2878 LYS 78 HZ1 -0.0102 0.0112 -0.0074 2879 LYS 78 HZ2 -0.0109 0.0123 -0.0083 2880 LYS 78 HZ3 -0.0097 0.0138 -0.0069 2881 MET 79 N -0.0033 0.0010 -0.0043 2882 MET 79 CA -0.0038 0.0014 -0.0040 2883 MET 79 C -0.0039 0.0014 -0.0039 2884 MET 79 O -0.0037 0.0013 -0.0042 2885 MET 79 CB -0.0042 0.0016 -0.0045 2886 MET 79 CG -0.0041 0.0015 -0.0047 2887 MET 79 SD -0.0043 0.0017 -0.0041 2888 MET 79 CE -0.0050 0.0021 -0.0042 2889 MET 79 H -0.0032 0.0009 -0.0046 2890 MET 79 HA -0.0038 0.0014 -0.0036 2891 MET 79 HB3 -0.0045 0.0018 -0.0043 2892 MET 79 HB2 -0.0042 0.0015 -0.0049 2893 MET 79 HG3 -0.0043 0.0016 -0.0051 2894 MET 79 HG2 -0.0037 0.0013 -0.0047 2895 MET 79 HE1 -0.0051 0.0023 -0.0039 2896 MET 79 HE2 -0.0050 0.0021 -0.0047 2897 MET 79 HE3 -0.0051 0.0022 -0.0042 2898 SER 80 N -0.0042 0.0017 -0.0035 2899 SER 80 CA -0.0044 0.0018 -0.0034 2900 SER 80 C -0.0049 0.0022 -0.0035 2901 SER 80 O -0.0052 0.0023 -0.0034 2902 SER 80 CB -0.0042 0.0017 -0.0028 2903 SER 80 OG -0.0037 0.0014 -0.0027 2904 SER 80 H -0.0043 0.0018 -0.0033 2905 SER 80 HA -0.0042 0.0017 -0.0037 2906 SER 80 HB3 -0.0044 0.0019 -0.0026 2907 SER 80 HB2 -0.0042 0.0018 -0.0024 2908 SER 80 HG -0.0035 0.0013 -0.0028 2909 PRO 81 N 0.0011 -0.0018 -0.0021 2910 PRO 81 CA -0.0009 -0.0005 -0.0022 2911 PRO 81 C 0.0003 0.0019 0.0003 2912 PRO 81 O 0.0028 0.0023 0.0020 2913 PRO 81 CB -0.0003 -0.0030 -0.0038 2914 PRO 81 CG 0.0031 -0.0048 -0.0034 2915 PRO 81 CD 0.0037 -0.0044 -0.0028 2916 PRO 81 HA -0.0034 0.0002 -0.0029 2917 PRO 81 HB3 -0.0019 -0.0043 -0.0057 2918 PRO 81 HB2 -0.0004 -0.0022 -0.0032 2919 PRO 81 HG3 0.0034 -0.0070 -0.0050 2920 PRO 81 HG2 0.0048 -0.0040 -0.0018 2921 PRO 81 HD2 0.0060 -0.0040 -0.0012 2922 PRO 81 HD3 0.0034 -0.0062 -0.0044 2923 ILE 82 N -0.0016 0.0035 0.0006 2924 ILE 82 CA -0.0004 0.0053 0.0027 2925 ILE 82 C -0.0013 0.0048 0.0018 2926 ILE 82 O -0.0036 0.0039 -0.0002 2927 ILE 82 CB -0.0017 0.0085 0.0045 2928 ILE 82 CG1 -0.0054 0.0095 0.0034 2929 ILE 82 CG2 -0.0004 0.0092 0.0057 2930 ILE 82 CD1 -0.0067 0.0128 0.0052 2931 ILE 82 H -0.0040 0.0036 -0.0006 2932 ILE 82 HA 0.0022 0.0047 0.0036 2933 ILE 82 HB -0.0008 0.0097 0.0059 2934 ILE 82 HG13 -0.0062 0.0086 0.0022 2935 ILE 82 HG12 -0.0063 0.0087 0.0022 2936 ILE 82 HG21 -0.0014 0.0115 0.0070 2937 ILE 82 HG22 0.0022 0.0086 0.0067 2938 ILE 82 HG23 -0.0012 0.0080 0.0044 2939 ILE 82 HD11 -0.0093 0.0134 0.0042 2940 ILE 82 HD12 -0.0058 0.0136 0.0063 2941 ILE 82 HD13 -0.0059 0.0137 0.0063 2942 ASN 83 N 0.0106 0.0062 0.0029 2943 ASN 83 CA 0.0100 0.0051 0.0021 2944 ASN 83 C 0.0078 0.0068 0.0031 2945 ASN 83 O 0.0080 0.0092 0.0047 2946 ASN 83 CB 0.0131 0.0045 0.0020 2947 ASN 83 CG 0.0153 0.0026 0.0010 2948 ASN 83 OD1 0.0180 0.0035 0.0019 2949 ASN 83 ND2 0.0146 0.0004 -0.0006 2950 ASN 83 H 0.0126 0.0072 0.0038 2951 ASN 83 HA 0.0090 0.0032 0.0007 2952 ASN 83 HB3 0.0125 0.0038 0.0015 2953 ASN 83 HB2 0.0142 0.0063 0.0034 2954 ASN 83 HD22 0.0161 -0.0008 -0.0013 2955 ASN 83 HD21 0.0125 -0.0002 -0.0012 2956 MET 84 N 0.0055 0.0058 0.0021 2957 MET 84 CA 0.0032 0.0073 0.0029 2958 MET 84 C 0.0025 0.0062 0.0021 2959 MET 84 O 0.0026 0.0039 0.0005 2960 MET 84 CB 0.0001 0.0077 0.0028 2961 MET 84 CG 0.0005 0.0090 0.0038 2962 MET 84 SD -0.0032 0.0098 0.0039 2963 MET 84 CE -0.0046 0.0126 0.0056 2964 MET 84 H 0.0053 0.0038 0.0007 2965 MET 84 HA 0.0041 0.0092 0.0043 2966 MET 84 HB3 -0.0016 0.0088 0.0034 2967 MET 84 HB2 -0.0008 0.0058 0.0014 2968 MET 84 HG3 0.0020 0.0078 0.0031 2969 MET 84 HG2 0.0016 0.0108 0.0051 2970 MET 84 HE1 -0.0069 0.0133 0.0059 2971 MET 84 HE2 -0.0049 0.0121 0.0053 2972 MET 84 HE3 -0.0030 0.0141 0.0069 2973 LEU 85 N 0.0062 0.0042 -0.0000 2974 LEU 85 CA 0.0042 0.0036 -0.0010 2975 LEU 85 C 0.0040 0.0024 0.0006 2976 LEU 85 O 0.0042 0.0012 0.0024 2977 LEU 85 CB 0.0023 0.0028 -0.0015 2978 LEU 85 CG 0.0002 0.0026 -0.0030 2979 LEU 85 CD1 0.0004 0.0043 -0.0051 2980 LEU 85 CD2 -0.0016 0.0016 -0.0031 2981 LEU 85 H 0.0064 0.0034 0.0013 2982 LEU 85 HA 0.0042 0.0047 -0.0024 2983 LEU 85 HB3 0.0020 0.0016 -0.0001 2984 LEU 85 HB2 0.0028 0.0036 -0.0021 2985 LEU 85 HG -0.0003 0.0019 -0.0024 2986 LEU 85 HD11 -0.0011 0.0041 -0.0062 2987 LEU 85 HD12 0.0016 0.0050 -0.0050 2988 LEU 85 HD13 0.0009 0.0050 -0.0057 2989 LEU 85 HD21 -0.0031 0.0014 -0.0042 2990 LEU 85 HD22 -0.0011 0.0023 -0.0037 2991 LEU 85 HD23 -0.0018 0.0004 -0.0016 2992 TYR 86 N 0.0038 0.0027 -0.0000 2993 TYR 86 CA 0.0039 0.0018 0.0014 2994 TYR 86 C 0.0026 0.0017 0.0004 2995 TYR 86 O 0.0019 0.0026 -0.0015 2996 TYR 86 CB 0.0063 0.0025 0.0024 2997 TYR 86 CG 0.0074 0.0043 0.0008 2998 TYR 86 CD1 0.0084 0.0056 -0.0001 2999 TYR 86 CD2 0.0073 0.0048 0.0002 3000 TYR 86 CE1 0.0093 0.0073 -0.0015 3001 TYR 86 CE2 0.0082 0.0064 -0.0012 3002 TYR 86 CZ 0.0093 0.0077 -0.0021 3003 TYR 86 OH 0.0102 0.0093 -0.0035 3004 TYR 86 H 0.0034 0.0036 -0.0016 3005 TYR 86 HA 0.0033 0.0005 0.0026 3006 TYR 86 HB3 0.0072 0.0024 0.0033 3007 TYR 86 HB2 0.0064 0.0018 0.0035 3008 TYR 86 HD1 0.0084 0.0054 0.0004 3009 TYR 86 HD2 0.0065 0.0038 0.0009 3010 TYR 86 HE1 0.0101 0.0083 -0.0022 3011 TYR 86 HE2 0.0082 0.0067 -0.0017 3012 TYR 86 HH 0.0102 0.0100 -0.0044 3013 PHE 87 N 0.0038 -0.0028 0.0014 3014 PHE 87 CA 0.0027 -0.0027 0.0006 3015 PHE 87 C 0.0049 -0.0013 0.0006 3016 PHE 87 O 0.0068 -0.0016 0.0023 3017 PHE 87 CB 0.0013 -0.0049 0.0022 3018 PHE 87 CG -0.0012 -0.0064 0.0020 3019 PHE 87 CD1 -0.0034 -0.0062 0.0002 3020 PHE 87 CD2 -0.0012 -0.0079 0.0037 3021 PHE 87 CE1 -0.0057 -0.0075 -0.0000 3022 PHE 87 CE2 -0.0035 -0.0092 0.0036 3023 PHE 87 CZ -0.0058 -0.0090 0.0017 3024 PHE 87 H 0.0044 -0.0039 0.0032 3025 PHE 87 HA 0.0013 -0.0021 -0.0012 3026 PHE 87 HB3 0.0009 -0.0049 0.0018 3027 PHE 87 HB2 0.0027 -0.0057 0.0040 3028 PHE 87 HD1 -0.0034 -0.0051 -0.0012 3029 PHE 87 HD2 0.0005 -0.0080 0.0052 3030 PHE 87 HE1 -0.0075 -0.0074 -0.0015 3031 PHE 87 HE2 -0.0035 -0.0103 0.0049 3032 PHE 87 HZ -0.0076 -0.0100 0.0016 3033 ASN 88 N 0.0046 0.0002 -0.0015 3034 ASN 88 CA 0.0064 0.0014 -0.0015 3035 ASN 88 C 0.0057 0.0002 -0.0006 3036 ASN 88 O 0.0039 -0.0016 0.0002 3037 ASN 88 CB 0.0065 0.0036 -0.0040 3038 ASN 88 CG 0.0040 0.0035 -0.0058 3039 ASN 88 OD1 0.0021 0.0018 -0.0053 3040 ASN 88 ND2 0.0038 0.0053 -0.0081 3041 ASN 88 H 0.0031 0.0005 -0.0029 3042 ASN 88 HA 0.0084 0.0016 -0.0003 3043 ASN 88 HB3 0.0071 0.0044 -0.0046 3044 ASN 88 HB2 0.0081 0.0045 -0.0040 3045 ASN 88 HD22 0.0022 0.0054 -0.0094 3046 ASN 88 HD21 0.0054 0.0066 -0.0085 3047 ASP 89 N -0.0139 -0.0020 -0.0170 3048 ASP 89 CA -0.0100 0.0009 -0.0191 3049 ASP 89 C -0.0021 0.0034 -0.0155 3050 ASP 89 O 0.0024 0.0070 -0.0187 3051 ASP 89 CB -0.0139 -0.0017 -0.0175 3052 ASP 89 CG -0.0207 -0.0029 -0.0230 3053 ASP 89 OD1 -0.0216 -0.0009 -0.0290 3054 ASP 89 OD2 -0.0252 -0.0059 -0.0214 3055 ASP 89 H -0.0184 -0.0051 -0.0148 3056 ASP 89 HA -0.0102 0.0032 -0.0252 3057 ASP 89 HB3 -0.0103 0.0001 -0.0177 3058 ASP 89 HB2 -0.0151 -0.0047 -0.0119 3059 LYS 90 N -0.0004 0.0014 -0.0087 3060 LYS 90 CA 0.0070 0.0036 -0.0048 3061 LYS 90 C 0.0110 0.0067 -0.0073 3062 LYS 90 O 0.0173 0.0085 -0.0043 3063 LYS 90 CB 0.0072 0.0003 0.0036 3064 LYS 90 CG 0.0037 -0.0029 0.0069 3065 LYS 90 CD 0.0012 -0.0070 0.0140 3066 LYS 90 CE -0.0004 -0.0098 0.0187 3067 LYS 90 NZ -0.0002 -0.0129 0.0266 3068 LYS 90 H -0.0043 -0.0015 -0.0063 3069 LYS 90 HA 0.0096 0.0054 -0.0061 3070 LYS 90 HB3 0.0128 0.0019 0.0063 3071 LYS 90 HB2 0.0048 -0.0015 0.0049 3072 LYS 90 HG3 -0.0009 -0.0036 0.0029 3073 LYS 90 HG2 0.0075 -0.0015 0.0082 3074 LYS 90 HD3 0.0053 -0.0063 0.0171 3075 LYS 90 HD2 -0.0036 -0.0089 0.0125 3076 LYS 90 HE3 -0.0057 -0.0116 0.0165 3077 LYS 90 HE2 0.0036 -0.0077 0.0186 3078 LYS 90 HZ1 0.0047 -0.0113 0.0287 3079 LYS 90 HZ2 -0.0012 -0.0147 0.0297 3080 LYS 90 HZ3 -0.0039 -0.0149 0.0268 3081 GLN 91 N -0.0002 0.0026 -0.0076 3082 GLN 91 CA 0.0001 0.0031 -0.0074 3083 GLN 91 C 0.0007 0.0029 -0.0073 3084 GLN 91 O 0.0010 0.0031 -0.0072 3085 GLN 91 CB -0.0001 0.0034 -0.0073 3086 GLN 91 CG -0.0007 0.0036 -0.0073 3087 GLN 91 CD -0.0008 0.0040 -0.0072 3088 GLN 91 OE1 -0.0004 0.0042 -0.0071 3089 GLN 91 NE2 -0.0013 0.0040 -0.0073 3090 GLN 91 H -0.0004 0.0026 -0.0076 3091 GLN 91 HA 0.0001 0.0033 -0.0073 3092 GLN 91 HB3 0.0002 0.0038 -0.0071 3093 GLN 91 HB2 -0.0001 0.0032 -0.0074 3094 GLN 91 HG3 -0.0009 0.0039 -0.0073 3095 GLN 91 HG2 -0.0010 0.0033 -0.0075 3096 GLN 91 HE22 -0.0014 0.0042 -0.0073 3097 GLN 91 HE21 -0.0016 0.0038 -0.0075 3098 GLN 92 N 0.0009 0.0024 -0.0074 3099 GLN 92 CA 0.0015 0.0022 -0.0074 3100 GLN 92 C 0.0018 0.0024 -0.0073 3101 GLN 92 O 0.0016 0.0025 -0.0073 3102 GLN 92 CB 0.0015 0.0016 -0.0076 3103 GLN 92 CG 0.0012 0.0013 -0.0078 3104 GLN 92 CD 0.0011 0.0007 -0.0080 3105 GLN 92 OE1 0.0011 0.0005 -0.0080 3106 GLN 92 NE2 0.0012 0.0003 -0.0081 3107 GLN 92 H 0.0006 0.0022 -0.0076 3108 GLN 92 HA 0.0016 0.0023 -0.0073 3109 GLN 92 HB3 0.0019 0.0014 -0.0076 3110 GLN 92 HB2 0.0014 0.0014 -0.0077 3111 GLN 92 HG3 0.0008 0.0015 -0.0078 3112 GLN 92 HG2 0.0014 0.0013 -0.0077 3113 GLN 92 HE22 0.0012 -0.0001 -0.0082 3114 GLN 92 HE21 0.0013 0.0005 -0.0080 3115 ILE 93 N -0.0074 0.0008 -0.0100 3116 ILE 93 CA -0.0065 0.0010 -0.0095 3117 ILE 93 C -0.0045 0.0044 -0.0111 3118 ILE 93 O -0.0058 0.0063 -0.0138 3119 ILE 93 CB -0.0097 -0.0004 -0.0106 3120 ILE 93 CG1 -0.0118 -0.0038 -0.0091 3121 ILE 93 CG2 -0.0087 -0.0002 -0.0101 3122 ILE 93 CD1 -0.0154 -0.0052 -0.0106 3123 ILE 93 H -0.0097 0.0005 -0.0115 3124 ILE 93 HA -0.0050 -0.0003 -0.0072 3125 ILE 93 HB -0.0112 0.0009 -0.0130 3126 ILE 93 HG13 -0.0120 -0.0040 -0.0090 3127 ILE 93 HG12 -0.0105 -0.0053 -0.0068 3128 ILE 93 HG21 -0.0110 -0.0012 -0.0109 3129 ILE 93 HG22 -0.0074 0.0023 -0.0113 3130 ILE 93 HG23 -0.0071 -0.0015 -0.0078 3131 ILE 93 HD11 -0.0167 -0.0076 -0.0094 3132 ILE 93 HD12 -0.0167 -0.0038 -0.0128 3133 ILE 93 HD13 -0.0152 -0.0051 -0.0105 3134 ILE 94 N -0.0013 0.0052 -0.0094 3135 ILE 94 CA 0.0009 0.0084 -0.0107 3136 ILE 94 C 0.0022 0.0087 -0.0100 3137 ILE 94 O 0.0034 0.0069 -0.0074 3138 ILE 94 CB 0.0040 0.0096 -0.0095 3139 ILE 94 CG1 0.0028 0.0094 -0.0102 3140 ILE 94 CG2 0.0064 0.0130 -0.0108 3141 ILE 94 CD1 0.0009 0.0114 -0.0135 3142 ILE 94 H -0.0004 0.0035 -0.0072 3143 ILE 94 HA -0.0005 0.0098 -0.0131 3144 ILE 94 HB 0.0054 0.0082 -0.0071 3145 ILE 94 HG13 0.0050 0.0101 -0.0091 3146 ILE 94 HG12 0.0013 0.0070 -0.0091 3147 ILE 94 HG21 0.0085 0.0138 -0.0099 3148 ILE 94 HG22 0.0073 0.0130 -0.0101 3149 ILE 94 HG23 0.0050 0.0145 -0.0132 3150 ILE 94 HD11 0.0002 0.0111 -0.0138 3151 ILE 94 HD12 0.0025 0.0139 -0.0145 3152 ILE 94 HD13 -0.0014 0.0107 -0.0145 3153 TYR 95 N 0.0013 0.0038 -0.0061 3154 TYR 95 CA 0.0038 0.0036 -0.0051 3155 TYR 95 C 0.0041 0.0017 -0.0069 3156 TYR 95 O 0.0038 -0.0000 -0.0088 3157 TYR 95 CB 0.0064 0.0031 -0.0042 3158 TYR 95 CG 0.0092 0.0025 -0.0035 3159 TYR 95 CD1 0.0102 0.0041 -0.0013 3160 TYR 95 CD2 0.0107 0.0003 -0.0049 3161 TYR 95 CE1 0.0126 0.0036 -0.0006 3162 TYR 95 CE2 0.0133 -0.0002 -0.0042 3163 TYR 95 CZ 0.0142 0.0014 -0.0020 3164 TYR 95 OH 0.0167 0.0009 -0.0013 3165 TYR 95 H 0.0015 0.0028 -0.0071 3166 TYR 95 HA 0.0035 0.0051 -0.0037 3167 TYR 95 HB3 0.0065 0.0018 -0.0055 3168 TYR 95 HB2 0.0063 0.0045 -0.0028 3169 TYR 95 HD1 0.0090 0.0058 -0.0001 3170 TYR 95 HD2 0.0100 -0.0010 -0.0066 3171 TYR 95 HE1 0.0134 0.0048 0.0011 3172 TYR 95 HE2 0.0145 -0.0019 -0.0054 3173 TYR 95 HH 0.0170 0.0022 0.0002 3174 GLY 96 N 0.0048 0.0020 -0.0062 3175 GLY 96 CA 0.0051 0.0003 -0.0078 3176 GLY 96 C 0.0067 0.0006 -0.0067 3177 GLY 96 O 0.0065 0.0025 -0.0049 3178 GLY 96 H 0.0050 0.0035 -0.0046 3179 GLY 96 HA3 0.0031 0.0003 -0.0089 3180 GLY 96 HA2 0.0062 -0.0013 -0.0089 3181 LYS 97 N 0.0037 -0.0060 -0.0050 3182 LYS 97 CA 0.0042 -0.0053 -0.0045 3183 LYS 97 C -0.0005 -0.0051 -0.0062 3184 LYS 97 O -0.0027 -0.0083 -0.0083 3185 LYS 97 CB 0.0076 -0.0091 -0.0047 3186 LYS 97 CG 0.0105 -0.0075 -0.0030 3187 LYS 97 CD 0.0127 -0.0115 -0.0037 3188 LYS 97 CE 0.0092 -0.0146 -0.0062 3189 LYS 97 NZ 0.0115 -0.0190 -0.0071 3190 LYS 97 H 0.0042 -0.0092 -0.0060 3191 LYS 97 HA 0.0055 -0.0020 -0.0028 3192 LYS 97 HB3 0.0057 -0.0118 -0.0065 3193 LYS 97 HB2 0.0098 -0.0107 -0.0045 3194 LYS 97 HG3 0.0131 -0.0057 -0.0013 3195 LYS 97 HG2 0.0083 -0.0051 -0.0029 3196 LYS 97 HD3 0.0155 -0.0134 -0.0034 3197 LYS 97 HD2 0.0142 -0.0102 -0.0026 3198 LYS 97 HE3 0.0069 -0.0129 -0.0065 3199 LYS 97 HE2 0.0072 -0.0154 -0.0073 3200 LYS 97 HZ1 0.0137 -0.0207 -0.0069 3201 LYS 97 HZ2 0.0091 -0.0211 -0.0088 3202 LYS 97 HZ3 0.0134 -0.0184 -0.0061 3203 ILE 98 N -0.0021 -0.0012 -0.0053 3204 ILE 98 CA -0.0067 -0.0005 -0.0068 3205 ILE 98 C -0.0067 -0.0009 -0.0069 3206 ILE 98 O -0.0053 0.0020 -0.0053 3207 ILE 98 CB -0.0091 0.0043 -0.0058 3208 ILE 98 CG1 -0.0087 0.0051 -0.0054 3209 ILE 98 CG2 -0.0140 0.0049 -0.0074 3210 ILE 98 CD1 -0.0112 0.0019 -0.0076 3211 ILE 98 H -0.0000 0.0013 -0.0036 3212 ILE 98 HA -0.0087 -0.0030 -0.0085 3213 ILE 98 HB -0.0073 0.0068 -0.0042 3214 ILE 98 HG13 -0.0100 0.0086 -0.0045 3215 ILE 98 HG12 -0.0051 0.0047 -0.0042 3216 ILE 98 HG21 -0.0156 0.0084 -0.0067 3217 ILE 98 HG22 -0.0141 0.0046 -0.0076 3218 ILE 98 HG23 -0.0159 0.0024 -0.0091 3219 ILE 98 HD11 -0.0108 0.0026 -0.0071 3220 ILE 98 HD12 -0.0148 0.0023 -0.0088 3221 ILE 98 HD13 -0.0097 -0.0017 -0.0084 3222 PRO 99 N -0.0107 -0.0027 -0.0129 3223 PRO 99 CA -0.0087 -0.0033 -0.0129 3224 PRO 99 C -0.0104 -0.0013 -0.0112 3225 PRO 99 O -0.0137 -0.0001 -0.0109 3226 PRO 99 CB -0.0092 -0.0059 -0.0162 3227 PRO 99 CG -0.0103 -0.0069 -0.0179 3228 PRO 99 CD -0.0125 -0.0047 -0.0160 3229 PRO 99 HA -0.0058 -0.0034 -0.0119 3230 PRO 99 HB3 -0.0065 -0.0071 -0.0167 3231 PRO 99 HB2 -0.0114 -0.0056 -0.0167 3232 PRO 99 HG3 -0.0078 -0.0079 -0.0181 3233 PRO 99 HG2 -0.0121 -0.0081 -0.0200 3234 PRO 99 HD2 -0.0153 -0.0042 -0.0164 3235 PRO 99 HD3 -0.0120 -0.0051 -0.0163 3236 GLY 100 N -0.0081 -0.0011 -0.0100 3237 GLY 100 CA -0.0093 0.0004 -0.0086 3238 GLY 100 C -0.0108 0.0033 -0.0058 3239 GLY 100 O -0.0134 0.0045 -0.0052 3240 GLY 100 H -0.0053 -0.0019 -0.0100 3241 GLY 100 HA3 -0.0115 -0.0003 -0.0103 3242 GLY 100 HA2 -0.0071 0.0001 -0.0082 3243 MET 101 N -0.0089 0.0045 -0.0001 3244 MET 101 CA -0.0092 0.0052 0.0007 3245 MET 101 C -0.0087 0.0049 0.0015 3246 MET 101 O -0.0089 0.0053 0.0019 3247 MET 101 CB -0.0095 0.0058 0.0014 3248 MET 101 CG -0.0102 0.0064 0.0007 3249 MET 101 SD -0.0111 0.0074 0.0004 3250 MET 101 CE -0.0112 0.0081 0.0017 3251 MET 101 H -0.0085 0.0041 0.0002 3252 MET 101 HA -0.0097 0.0056 0.0002 3253 MET 101 HB3 -0.0096 0.0062 0.0021 3254 MET 101 HB2 -0.0090 0.0054 0.0017 3255 MET 101 HG3 -0.0103 0.0067 0.0012 3256 MET 101 HG2 -0.0101 0.0060 -0.0001 3257 MET 101 HE1 -0.0117 0.0086 0.0017 3258 MET 101 HE2 -0.0113 0.0083 0.0021 3259 MET 101 HE3 -0.0107 0.0077 0.0023 3260 VAL 102 N -0.0079 0.0041 0.0018 3261 VAL 102 CA -0.0073 0.0037 0.0026 3262 VAL 102 C -0.0068 0.0028 0.0020 3263 VAL 102 O -0.0065 0.0022 0.0014 3264 VAL 102 CB -0.0069 0.0035 0.0036 3265 VAL 102 CG1 -0.0062 0.0030 0.0044 3266 VAL 102 CG2 -0.0074 0.0044 0.0042 3267 VAL 102 H -0.0077 0.0037 0.0015 3268 VAL 102 HA -0.0076 0.0041 0.0029 3269 VAL 102 HB -0.0066 0.0030 0.0033 3270 VAL 102 HG11 -0.0059 0.0029 0.0051 3271 VAL 102 HG12 -0.0058 0.0024 0.0039 3272 VAL 102 HG13 -0.0065 0.0034 0.0047 3273 VAL 102 HG21 -0.0071 0.0042 0.0049 3274 VAL 102 HG22 -0.0077 0.0048 0.0046 3275 VAL 102 HG23 -0.0078 0.0047 0.0037 3276 VAL 103 N -0.0074 0.0039 0.0029 3277 VAL 103 CA -0.0060 0.0042 0.0029 3278 VAL 103 C -0.0062 0.0041 0.0030 3279 VAL 103 O -0.0067 0.0033 0.0036 3280 VAL 103 CB -0.0050 0.0035 0.0038 3281 VAL 103 CG1 -0.0037 0.0036 0.0040 3282 VAL 103 CG2 -0.0047 0.0037 0.0037 3283 VAL 103 H -0.0077 0.0032 0.0034 3284 VAL 103 HA -0.0056 0.0050 0.0023 3285 VAL 103 HB -0.0055 0.0026 0.0044 3286 VAL 103 HG11 -0.0030 0.0031 0.0046 3287 VAL 103 HG12 -0.0040 0.0034 0.0041 3288 VAL 103 HG13 -0.0032 0.0045 0.0034 3289 VAL 103 HG21 -0.0040 0.0032 0.0043 3290 VAL 103 HG22 -0.0042 0.0045 0.0031 3291 VAL 103 HG23 -0.0056 0.0035 0.0036 3292 ASP 104 N -0.0058 0.0050 0.0023 3293 ASP 104 CA -0.0059 0.0051 0.0022 3294 ASP 104 C -0.0045 0.0048 0.0028 3295 ASP 104 O -0.0045 0.0044 0.0031 3296 ASP 104 CB -0.0062 0.0062 0.0012 3297 ASP 104 CG -0.0075 0.0064 0.0007 3298 ASP 104 OD1 -0.0085 0.0057 0.0011 3299 ASP 104 OD2 -0.0076 0.0074 -0.0001 3300 ASP 104 H -0.0054 0.0057 0.0018 3301 ASP 104 HA -0.0067 0.0044 0.0026 3302 ASP 104 HB3 -0.0062 0.0062 0.0012 3303 ASP 104 HB2 -0.0053 0.0068 0.0009 3304 ARG 105 N -0.0068 0.0086 0.0054 3305 ARG 105 CA -0.0042 0.0082 0.0060 3306 ARG 105 C -0.0028 0.0081 0.0062 3307 ARG 105 O -0.0032 0.0089 0.0051 3308 ARG 105 CB -0.0030 0.0094 0.0045 3309 ARG 105 CG -0.0003 0.0092 0.0048 3310 ARG 105 CD 0.0006 0.0105 0.0032 3311 ARG 105 NE -0.0013 0.0110 0.0025 3312 ARG 105 CZ -0.0016 0.0125 0.0006 3313 ARG 105 NH1 0.0001 0.0136 -0.0007 3314 ARG 105 NH2 -0.0034 0.0128 0.0001 3315 ARG 105 H -0.0073 0.0091 0.0047 3316 ARG 105 HA -0.0042 0.0071 0.0075 3317 ARG 105 HB3 -0.0034 0.0105 0.0030 3318 ARG 105 HB2 -0.0041 0.0094 0.0045 3319 ARG 105 HG3 0.0000 0.0081 0.0062 3320 ARG 105 HG2 0.0008 0.0093 0.0048 3321 ARG 105 HD3 0.0023 0.0102 0.0037 3322 ARG 105 HD2 0.0013 0.0115 0.0019 3323 ARG 105 HE -0.0026 0.0102 0.0035 3324 ARG 105 HH12 -0.0001 0.0146 -0.0022 3325 ARG 105 HH11 0.0015 0.0133 -0.0004 3326 ARG 105 HH22 -0.0035 0.0139 -0.0013 3327 ARG 105 HH21 -0.0046 0.0120 0.0011 3328 CYS 106 N -0.0010 0.0070 0.0077 3329 CYS 106 CA 0.0005 0.0067 0.0081 3330 CYS 106 C 0.0033 0.0070 0.0078 3331 CYS 106 O 0.0040 0.0068 0.0082 3332 CYS 106 CB 0.0001 0.0051 0.0102 3333 CYS 106 SG -0.0030 0.0047 0.0106 3334 CYS 106 H -0.0008 0.0063 0.0085 3335 CYS 106 HA 0.0000 0.0075 0.0070 3336 CYS 106 HB3 0.0015 0.0049 0.0105 3337 CYS 106 HB2 0.0006 0.0043 0.0112 3338 GLY 107 N 0.0019 0.0058 0.0064 3339 GLY 107 CA 0.0009 0.0058 0.0066 3340 GLY 107 C 0.0012 0.0058 0.0065 3341 GLY 107 O 0.0022 0.0058 0.0065 3342 GLY 107 H 0.0026 0.0058 0.0066 3343 GLY 107 HA3 0.0006 0.0059 0.0074 3344 GLY 107 HA2 0.0003 0.0057 0.0060 3345 CYS 108 N 0.0004 0.0058 0.0066 3346 CYS 108 CA 0.0006 0.0058 0.0066 3347 CYS 108 C 0.0005 0.0059 0.0077 3348 CYS 108 O -0.0003 0.0059 0.0082 3349 CYS 108 CB -0.0003 0.0056 0.0058 3350 CYS 108 SG -0.0001 0.0055 0.0044 3351 CYS 108 H -0.0004 0.0057 0.0066 3352 CYS 108 HA 0.0014 0.0057 0.0062 3353 CYS 108 HB3 -0.0002 0.0057 0.0059 3354 CYS 108 HB2 -0.0011 0.0056 0.0061 3355 SER 109 N 0.0013 0.0066 0.0047 3356 SER 109 CA 0.0013 0.0066 0.0042 3357 SER 109 C 0.0012 0.0067 0.0031 3358 SER 109 O 0.0011 0.0074 0.0028 3359 SER 109 CB 0.0012 0.0074 0.0046 3360 SER 109 OG 0.0013 0.0074 0.0057 3361 SER 109 OXT 0.0012 0.0062 0.0025 3362 SER 109 H 0.0012 0.0073 0.0047 3363 SER 109 HA 0.0014 0.0059 0.0043 3364 SER 109 HB3 0.0012 0.0073 0.0043 3365 SER 109 HB2 0.0011 0.0081 0.0044 3366 SER 109 HG 0.0013 0.0074 0.0059