1 ASN 1 N 0.0094 0.0067 0.0068 2 ASN 1 CA 0.0117 0.0070 0.0071 3 ASN 1 C 0.0125 0.0060 0.0047 4 ASN 1 O 0.0148 0.0058 0.0039 5 ASN 1 CB 0.0113 0.0078 0.0092 6 ASN 1 CG 0.0137 0.0080 0.0094 7 ASN 1 OD1 0.0132 0.0084 0.0103 8 ASN 1 ND2 0.0160 0.0079 0.0088 9 ASN 1 H1 0.0089 0.0073 0.0084 10 ASN 1 H2 0.0097 0.0062 0.0055 11 ASN 1 HA 0.0134 0.0072 0.0076 12 ASN 1 HB3 0.0096 0.0075 0.0088 13 ASN 1 HB2 0.0109 0.0085 0.0109 14 ASN 1 HD22 0.0175 0.0081 0.0090 15 ASN 1 HD21 0.0162 0.0077 0.0082 16 LEU 2 N 0.0106 0.0054 0.0036 17 LEU 2 CA 0.0110 0.0045 0.0012 18 LEU 2 C 0.0107 0.0036 -0.0008 19 LEU 2 O 0.0110 0.0027 -0.0030 20 LEU 2 CB 0.0090 0.0042 0.0009 21 LEU 2 CG 0.0096 0.0048 0.0021 22 LEU 2 CD1 0.0070 0.0047 0.0025 23 LEU 2 CD2 0.0116 0.0043 0.0006 24 LEU 2 H 0.0087 0.0057 0.0044 25 LEU 2 HA 0.0130 0.0046 0.0011 26 LEU 2 HB3 0.0088 0.0034 -0.0011 27 LEU 2 HB2 0.0070 0.0043 0.0014 28 LEU 2 HG 0.0104 0.0056 0.0039 29 LEU 2 HD11 0.0075 0.0051 0.0033 30 LEU 2 HD12 0.0056 0.0051 0.0036 31 LEU 2 HD13 0.0062 0.0040 0.0007 32 LEU 2 HD21 0.0120 0.0047 0.0015 33 LEU 2 HD22 0.0108 0.0035 -0.0012 34 LEU 2 HD23 0.0134 0.0043 0.0005 35 GLY 3 N 0.0104 0.0046 0.0021 36 GLY 3 CA 0.0094 0.0042 0.0000 37 GLY 3 C 0.0100 0.0044 -0.0002 38 GLY 3 O 0.0108 0.0047 0.0015 39 GLY 3 H 0.0101 0.0046 0.0037 40 GLY 3 HA3 0.0075 0.0036 0.0001 41 GLY 3 HA2 0.0100 0.0043 -0.0016 42 LEU 4 N 0.0097 0.0041 -0.0024 43 LEU 4 CA 0.0102 0.0043 -0.0030 44 LEU 4 C 0.0080 0.0036 -0.0034 45 LEU 4 O 0.0065 0.0030 -0.0046 46 LEU 4 CB 0.0118 0.0046 -0.0052 47 LEU 4 CG 0.0130 0.0049 -0.0058 48 LEU 4 CD1 0.0146 0.0055 -0.0038 49 LEU 4 CD2 0.0144 0.0052 -0.0081 50 LEU 4 H 0.0091 0.0039 -0.0037 51 LEU 4 HA 0.0111 0.0046 -0.0014 52 LEU 4 HB3 0.0109 0.0042 -0.0067 53 LEU 4 HB2 0.0131 0.0050 -0.0050 54 LEU 4 HG 0.0118 0.0045 -0.0061 55 LEU 4 HD11 0.0155 0.0058 -0.0043 56 LEU 4 HD12 0.0136 0.0053 -0.0022 57 LEU 4 HD13 0.0159 0.0059 -0.0035 58 LEU 4 HD21 0.0153 0.0055 -0.0086 59 LEU 4 HD22 0.0157 0.0056 -0.0078 60 LEU 4 HD23 0.0133 0.0048 -0.0095 61 ASP 5 N 0.0072 0.0011 -0.0023 62 ASP 5 CA 0.0047 0.0006 -0.0025 63 ASP 5 C 0.0047 0.0008 -0.0037 64 ASP 5 O 0.0062 0.0010 -0.0031 65 ASP 5 CB 0.0036 -0.0001 0.0001 66 ASP 5 CG 0.0027 -0.0004 0.0009 67 ASP 5 OD1 0.0025 -0.0001 -0.0006 68 ASP 5 OD2 0.0022 -0.0009 0.0032 69 ASP 5 H 0.0085 0.0011 -0.0012 70 ASP 5 HA 0.0036 0.0006 -0.0037 71 ASP 5 HB3 0.0020 -0.0003 -0.0000 72 ASP 5 HB2 0.0049 -0.0000 0.0014 73 CYS 6 N 0.0029 0.0008 -0.0054 74 CYS 6 CA 0.0026 0.0010 -0.0066 75 CYS 6 C -0.0001 0.0005 -0.0066 76 CYS 6 O -0.0018 0.0001 -0.0062 77 CYS 6 CB 0.0034 0.0016 -0.0093 78 CYS 6 SG 0.0065 0.0023 -0.0097 79 CYS 6 H 0.0016 0.0007 -0.0058 80 CYS 6 HA 0.0038 0.0010 -0.0056 81 CYS 6 HB3 0.0032 0.0018 -0.0101 82 CYS 6 HB2 0.0021 0.0016 -0.0104 83 ASP 7 N -0.0032 -0.0017 -0.0065 84 ASP 7 CA -0.0080 -0.0024 -0.0074 85 ASP 7 C -0.0095 -0.0002 -0.0114 86 ASP 7 O -0.0067 0.0019 -0.0135 87 ASP 7 CB -0.0103 -0.0050 -0.0045 88 ASP 7 CG -0.0089 -0.0048 -0.0043 89 ASP 7 OD1 -0.0104 -0.0034 -0.0069 90 ASP 7 OD2 -0.0062 -0.0060 -0.0014 91 ASP 7 H -0.0016 -0.0012 -0.0067 92 ASP 7 HA -0.0090 -0.0028 -0.0073 93 ASP 7 HB3 -0.0095 -0.0067 -0.0016 94 ASP 7 HB2 -0.0140 -0.0054 -0.0053 95 GLU 8 N -0.0139 -0.0006 -0.0126 96 GLU 8 CA -0.0157 0.0015 -0.0165 97 GLU 8 C -0.0145 0.0023 -0.0172 98 GLU 8 O -0.0141 0.0046 -0.0205 99 GLU 8 CB -0.0208 0.0007 -0.0173 100 GLU 8 CG -0.0234 -0.0022 -0.0140 101 GLU 8 CD -0.0226 -0.0041 -0.0107 102 GLU 8 OE1 -0.0227 -0.0036 -0.0116 103 GLU 8 OE2 -0.0217 -0.0062 -0.0073 104 GLU 8 H -0.0160 -0.0024 -0.0107 105 GLU 8 HA -0.0141 0.0033 -0.0185 106 GLU 8 HB3 -0.0215 0.0012 -0.0183 107 GLU 8 HB2 -0.0222 0.0020 -0.0199 108 GLU 8 HG3 -0.0270 -0.0024 -0.0151 109 GLU 8 HG2 -0.0225 -0.0027 -0.0129 110 HIS 9 N -0.0164 -0.0007 -0.0140 111 HIS 9 CA -0.0142 0.0006 -0.0160 112 HIS 9 C -0.0070 0.0011 -0.0140 113 HIS 9 O -0.0047 0.0001 -0.0107 114 HIS 9 CB -0.0182 -0.0011 -0.0140 115 HIS 9 CG -0.0251 -0.0015 -0.0162 116 HIS 9 ND1 -0.0272 0.0008 -0.0219 117 HIS 9 CD2 -0.0302 -0.0038 -0.0131 118 HIS 9 CE1 -0.0335 -0.0002 -0.0224 119 HIS 9 NE2 -0.0354 -0.0030 -0.0171 120 HIS 9 H -0.0171 -0.0027 -0.0099 121 HIS 9 HA -0.0146 0.0027 -0.0208 122 HIS 9 HB3 -0.0162 -0.0001 -0.0153 123 HIS 9 HB2 -0.0178 -0.0032 -0.0092 124 HIS 9 HD1 -0.0240 0.0028 -0.0250 125 HIS 9 HD2 -0.0297 -0.0059 -0.0084 126 HIS 9 HE1 -0.0360 0.0012 -0.0267 127 SER 10 N -0.0037 0.0027 -0.0161 128 SER 10 CA 0.0032 0.0038 -0.0155 129 SER 10 C 0.0054 0.0070 -0.0216 130 SER 10 O 0.0021 0.0083 -0.0258 131 SER 10 CB 0.0052 0.0029 -0.0126 132 SER 10 OG 0.0109 0.0050 -0.0147 133 SER 10 H -0.0059 0.0033 -0.0183 134 SER 10 HA 0.0054 0.0030 -0.0128 135 SER 10 HB3 0.0014 0.0026 -0.0135 136 SER 10 HB2 0.0059 0.0008 -0.0078 137 SER 10 HG 0.0120 0.0044 -0.0128 138 SER 11 N 0.0199 0.0053 -0.0264 139 SER 11 CA 0.0218 0.0050 -0.0303 140 SER 11 C 0.0220 0.0061 -0.0283 141 SER 11 O 0.0247 0.0073 -0.0303 142 SER 11 CB 0.0260 0.0072 -0.0329 143 SER 11 OG 0.0284 0.0106 -0.0297 144 SER 11 H 0.0215 0.0076 -0.0241 145 SER 11 HA 0.0199 0.0023 -0.0328 146 SER 11 HB3 0.0258 0.0061 -0.0348 147 SER 11 HB2 0.0275 0.0072 -0.0355 148 SER 11 HG 0.0287 0.0115 -0.0280 149 GLU 12 N 0.0191 0.0056 -0.0244 150 GLU 12 CA 0.0188 0.0065 -0.0220 151 GLU 12 C 0.0171 0.0038 -0.0247 152 GLU 12 O 0.0136 0.0008 -0.0253 153 GLU 12 CB 0.0161 0.0066 -0.0169 154 GLU 12 CG 0.0153 0.0073 -0.0141 155 GLU 12 CD 0.0192 0.0107 -0.0135 156 GLU 12 OE1 0.0210 0.0133 -0.0108 157 GLU 12 OE2 0.0204 0.0107 -0.0156 158 GLU 12 H 0.0170 0.0046 -0.0229 159 GLU 12 HA 0.0219 0.0090 -0.0218 160 GLU 12 HB3 0.0131 0.0042 -0.0170 161 GLU 12 HB2 0.0174 0.0086 -0.0149 162 GLU 12 HG3 0.0138 0.0052 -0.0160 163 GLU 12 HG2 0.0132 0.0071 -0.0107 164 SER 13 N 0.0196 0.0046 -0.0220 165 SER 13 CA 0.0186 0.0029 -0.0239 166 SER 13 C 0.0168 0.0026 -0.0221 167 SER 13 O 0.0151 0.0008 -0.0231 168 SER 13 CB 0.0211 0.0035 -0.0262 169 SER 13 OG 0.0225 0.0053 -0.0248 170 SER 13 H 0.0215 0.0062 -0.0216 171 SER 13 HA 0.0174 0.0014 -0.0252 172 SER 13 HB3 0.0226 0.0040 -0.0274 173 SER 13 HB2 0.0204 0.0021 -0.0279 174 SER 13 HG 0.0213 0.0049 -0.0238 175 ARG 14 N 0.0171 0.0043 -0.0194 176 ARG 14 CA 0.0156 0.0042 -0.0175 177 ARG 14 C 0.0126 0.0028 -0.0160 178 ARG 14 O 0.0118 0.0024 -0.0157 179 ARG 14 CB 0.0170 0.0065 -0.0150 180 ARG 14 CG 0.0201 0.0080 -0.0163 181 ARG 14 CD 0.0208 0.0092 -0.0149 182 ARG 14 NE 0.0237 0.0109 -0.0159 183 ARG 14 CZ 0.0250 0.0104 -0.0185 184 ARG 14 NH1 0.0236 0.0083 -0.0204 185 ARG 14 NH2 0.0277 0.0120 -0.0192 186 ARG 14 H 0.0185 0.0057 -0.0186 187 ARG 14 HA 0.0156 0.0034 -0.0189 188 ARG 14 HB3 0.0159 0.0064 -0.0137 189 ARG 14 HB2 0.0168 0.0072 -0.0134 190 ARG 14 HG3 0.0213 0.0092 -0.0158 191 ARG 14 HG2 0.0205 0.0070 -0.0188 192 ARG 14 HD3 0.0196 0.0081 -0.0156 193 ARG 14 HD2 0.0201 0.0100 -0.0125 194 ARG 14 HE 0.0248 0.0124 -0.0144 195 ARG 14 HH12 0.0246 0.0080 -0.0224 196 ARG 14 HH11 0.0215 0.0071 -0.0199 197 ARG 14 HH22 0.0287 0.0116 -0.0212 198 ARG 14 HH21 0.0288 0.0135 -0.0178 199 CYS 15 N 0.0097 0.0024 -0.0139 200 CYS 15 CA 0.0077 0.0015 -0.0128 201 CYS 15 C 0.0073 0.0020 -0.0108 202 CYS 15 O 0.0082 0.0032 -0.0094 203 CYS 15 CB 0.0070 0.0013 -0.0120 204 CYS 15 SG 0.0045 0.0003 -0.0105 205 CYS 15 H 0.0104 0.0027 -0.0142 206 CYS 15 HA 0.0068 0.0005 -0.0139 207 CYS 15 HB3 0.0080 0.0024 -0.0110 208 CYS 15 HB2 0.0072 0.0009 -0.0134 209 CYS 16 N 0.0060 0.0011 -0.0109 210 CYS 16 CA 0.0057 0.0015 -0.0094 211 CYS 16 C 0.0036 0.0004 -0.0089 212 CYS 16 O 0.0025 -0.0008 -0.0102 213 CYS 16 CB 0.0071 0.0021 -0.0103 214 CYS 16 SG 0.0074 0.0030 -0.0084 215 CYS 16 H 0.0051 0.0001 -0.0120 216 CYS 16 HA 0.0061 0.0024 -0.0079 217 CYS 16 HB3 0.0066 0.0012 -0.0117 218 CYS 16 HB2 0.0086 0.0027 -0.0110 219 ARG 17 N 0.0011 0.0014 -0.0090 220 ARG 17 CA -0.0008 0.0009 -0.0085 221 ARG 17 C -0.0021 0.0006 -0.0082 222 ARG 17 O -0.0015 0.0004 -0.0071 223 ARG 17 CB -0.0008 0.0004 -0.0066 224 ARG 17 CG -0.0028 -0.0000 -0.0062 225 ARG 17 CD -0.0028 -0.0005 -0.0043 226 ARG 17 NE -0.0022 -0.0008 -0.0026 227 ARG 17 CZ -0.0029 -0.0014 -0.0008 228 ARG 17 NH1 -0.0041 -0.0017 -0.0005 229 ARG 17 NH2 -0.0023 -0.0016 0.0006 230 ARG 17 H 0.0022 0.0013 -0.0080 231 ARG 17 HA -0.0016 0.0011 -0.0096 232 ARG 17 HB3 -0.0002 0.0002 -0.0054 233 ARG 17 HB2 0.0002 0.0007 -0.0068 234 ARG 17 HG3 -0.0034 0.0002 -0.0074 235 ARG 17 HG2 -0.0039 -0.0002 -0.0060 236 ARG 17 HD3 -0.0018 -0.0003 -0.0044 237 ARG 17 HD2 -0.0043 -0.0008 -0.0041 238 ARG 17 HE -0.0013 -0.0006 -0.0028 239 ARG 17 HH12 -0.0046 -0.0021 0.0008 240 ARG 17 HH11 -0.0046 -0.0015 -0.0016 241 ARG 17 HH22 -0.0027 -0.0021 0.0020 242 ARG 17 HH21 -0.0013 -0.0014 0.0004 243 TYR 18 N -0.0038 0.0006 -0.0092 244 TYR 18 CA -0.0051 0.0003 -0.0091 245 TYR 18 C -0.0070 -0.0003 -0.0081 246 TYR 18 O -0.0075 -0.0003 -0.0082 247 TYR 18 CB -0.0056 0.0008 -0.0111 248 TYR 18 CG -0.0039 0.0013 -0.0121 249 TYR 18 CD1 -0.0026 0.0018 -0.0131 250 TYR 18 CD2 -0.0037 0.0013 -0.0120 251 TYR 18 CE1 -0.0010 0.0023 -0.0139 252 TYR 18 CE2 -0.0021 0.0018 -0.0129 253 TYR 18 CZ -0.0008 0.0023 -0.0138 254 TYR 18 OH 0.0008 0.0028 -0.0147 255 TYR 18 H -0.0042 0.0008 -0.0101 256 TYR 18 HA -0.0044 0.0002 -0.0082 257 TYR 18 HB3 -0.0069 0.0005 -0.0110 258 TYR 18 HB2 -0.0062 0.0009 -0.0121 259 TYR 18 HD1 -0.0027 0.0018 -0.0131 260 TYR 18 HD2 -0.0047 0.0009 -0.0112 261 TYR 18 HE1 0.0000 0.0026 -0.0147 262 TYR 18 HE2 -0.0020 0.0018 -0.0128 263 TYR 18 HH 0.0015 0.0031 -0.0153 264 PRO 19 N -0.0100 -0.0017 -0.0074 265 PRO 19 CA -0.0105 -0.0017 -0.0072 266 PRO 19 C -0.0112 -0.0008 -0.0076 267 PRO 19 O -0.0116 -0.0002 -0.0078 268 PRO 19 CB -0.0112 -0.0024 -0.0064 269 PRO 19 CG -0.0114 -0.0023 -0.0063 270 PRO 19 CD -0.0105 -0.0022 -0.0069 271 PRO 19 HA -0.0099 -0.0020 -0.0072 272 PRO 19 HB3 -0.0107 -0.0031 -0.0061 273 PRO 19 HB2 -0.0119 -0.0022 -0.0062 274 PRO 19 HG3 -0.0116 -0.0030 -0.0058 275 PRO 19 HG2 -0.0121 -0.0018 -0.0065 276 PRO 19 HD2 -0.0107 -0.0017 -0.0072 277 PRO 19 HD3 -0.0099 -0.0028 -0.0067 278 LEU 20 N -0.0112 -0.0006 -0.0077 279 LEU 20 CA -0.0119 0.0002 -0.0080 280 LEU 20 C -0.0121 0.0000 -0.0078 281 LEU 20 O -0.0114 -0.0002 -0.0079 282 LEU 20 CB -0.0114 0.0010 -0.0088 283 LEU 20 CG -0.0120 0.0019 -0.0091 284 LEU 20 CD1 -0.0131 0.0023 -0.0090 285 LEU 20 CD2 -0.0114 0.0026 -0.0100 286 LEU 20 H -0.0108 -0.0011 -0.0075 287 LEU 20 HA -0.0126 0.0004 -0.0078 288 LEU 20 HB3 -0.0106 0.0008 -0.0090 289 LEU 20 HB2 -0.0113 0.0012 -0.0090 290 LEU 20 HG -0.0122 0.0017 -0.0089 291 LEU 20 HD11 -0.0135 0.0029 -0.0092 292 LEU 20 HD12 -0.0135 0.0017 -0.0084 293 LEU 20 HD13 -0.0129 0.0025 -0.0092 294 LEU 20 HD21 -0.0119 0.0032 -0.0102 295 LEU 20 HD22 -0.0112 0.0029 -0.0102 296 LEU 20 HD23 -0.0107 0.0024 -0.0101 297 THR 21 N -0.0116 0.0016 -0.0074 298 THR 21 CA -0.0113 0.0020 -0.0077 299 THR 21 C -0.0111 0.0026 -0.0076 300 THR 21 O -0.0112 0.0028 -0.0072 301 THR 21 CB -0.0114 0.0021 -0.0074 302 THR 21 OG1 -0.0116 0.0016 -0.0075 303 THR 21 CG2 -0.0112 0.0025 -0.0076 304 THR 21 H -0.0118 0.0016 -0.0070 305 THR 21 HA -0.0112 0.0019 -0.0081 306 THR 21 HB -0.0115 0.0022 -0.0069 307 THR 21 HG1 -0.0115 0.0014 -0.0079 308 THR 21 HG21 -0.0112 0.0026 -0.0074 309 THR 21 HG22 -0.0110 0.0030 -0.0076 310 THR 21 HG23 -0.0110 0.0024 -0.0081 311 VAL 22 N -0.0109 0.0029 -0.0081 312 VAL 22 CA -0.0106 0.0034 -0.0081 313 VAL 22 C -0.0105 0.0038 -0.0082 314 VAL 22 O -0.0104 0.0038 -0.0085 315 VAL 22 CB -0.0104 0.0035 -0.0087 316 VAL 22 CG1 -0.0102 0.0041 -0.0088 317 VAL 22 CG2 -0.0106 0.0032 -0.0086 318 VAL 22 H -0.0108 0.0026 -0.0085 319 VAL 22 HA -0.0107 0.0036 -0.0077 320 VAL 22 HB -0.0104 0.0033 -0.0091 321 VAL 22 HG11 -0.0100 0.0041 -0.0091 322 VAL 22 HG12 -0.0100 0.0043 -0.0088 323 VAL 22 HG13 -0.0102 0.0043 -0.0084 324 VAL 22 HG21 -0.0104 0.0032 -0.0090 325 VAL 22 HG22 -0.0106 0.0033 -0.0082 326 VAL 22 HG23 -0.0108 0.0027 -0.0086 327 ASP 23 N -0.0104 0.0060 -0.0077 328 ASP 23 CA -0.0101 0.0064 -0.0077 329 ASP 23 C -0.0098 0.0067 -0.0078 330 ASP 23 O -0.0097 0.0067 -0.0074 331 ASP 23 CB -0.0100 0.0064 -0.0073 332 ASP 23 CG -0.0097 0.0068 -0.0074 333 ASP 23 OD1 -0.0094 0.0071 -0.0074 334 ASP 23 OD2 -0.0097 0.0068 -0.0075 335 ASP 23 H -0.0104 0.0059 -0.0073 336 ASP 23 HA -0.0101 0.0064 -0.0081 337 ASP 23 HB3 -0.0099 0.0064 -0.0070 338 ASP 23 HB2 -0.0102 0.0062 -0.0073 339 PHE 24 N -0.0097 0.0068 -0.0082 340 PHE 24 CA -0.0095 0.0071 -0.0083 341 PHE 24 C -0.0092 0.0075 -0.0080 342 PHE 24 O -0.0090 0.0076 -0.0079 343 PHE 24 CB -0.0095 0.0072 -0.0089 344 PHE 24 CG -0.0098 0.0069 -0.0092 345 PHE 24 CD1 -0.0099 0.0067 -0.0090 346 PHE 24 CD2 -0.0099 0.0068 -0.0095 347 PHE 24 CE1 -0.0102 0.0064 -0.0093 348 PHE 24 CE2 -0.0102 0.0065 -0.0098 349 PHE 24 CZ -0.0104 0.0063 -0.0097 350 PHE 24 H -0.0098 0.0068 -0.0085 351 PHE 24 HA -0.0096 0.0070 -0.0082 352 PHE 24 HB3 -0.0093 0.0075 -0.0089 353 PHE 24 HB2 -0.0094 0.0074 -0.0090 354 PHE 24 HD1 -0.0098 0.0068 -0.0087 355 PHE 24 HD2 -0.0098 0.0069 -0.0096 356 PHE 24 HE1 -0.0103 0.0063 -0.0092 357 PHE 24 HE2 -0.0103 0.0064 -0.0101 358 PHE 24 HZ -0.0106 0.0061 -0.0099 359 GLU 25 N -0.0092 0.0079 -0.0086 360 GLU 25 CA -0.0087 0.0083 -0.0081 361 GLU 25 C -0.0087 0.0081 -0.0074 362 GLU 25 O -0.0083 0.0084 -0.0070 363 GLU 25 CB -0.0085 0.0087 -0.0082 364 GLU 25 CG -0.0086 0.0088 -0.0089 365 GLU 25 CD -0.0083 0.0091 -0.0089 366 GLU 25 OE1 -0.0084 0.0089 -0.0085 367 GLU 25 OE2 -0.0080 0.0096 -0.0092 368 GLU 25 H -0.0094 0.0078 -0.0088 369 GLU 25 HA -0.0085 0.0087 -0.0083 370 GLU 25 HB3 -0.0081 0.0091 -0.0080 371 GLU 25 HB2 -0.0085 0.0084 -0.0078 372 GLU 25 HG3 -0.0090 0.0084 -0.0091 373 GLU 25 HG2 -0.0085 0.0091 -0.0093 374 ALA 26 N -0.0090 0.0076 -0.0071 375 ALA 26 CA -0.0090 0.0073 -0.0064 376 ALA 26 C -0.0091 0.0071 -0.0063 377 ALA 26 O -0.0091 0.0069 -0.0057 378 ALA 26 CB -0.0094 0.0068 -0.0062 379 ALA 26 H -0.0093 0.0074 -0.0074 380 ALA 26 HA -0.0086 0.0076 -0.0061 381 ALA 26 HB1 -0.0093 0.0066 -0.0057 382 ALA 26 HB2 -0.0093 0.0069 -0.0063 383 ALA 26 HB3 -0.0097 0.0065 -0.0065 384 PHE 27 N -0.0094 0.0066 -0.0068 385 PHE 27 CA -0.0093 0.0068 -0.0070 386 PHE 27 C -0.0090 0.0076 -0.0071 387 PHE 27 O -0.0089 0.0080 -0.0072 388 PHE 27 CB -0.0093 0.0064 -0.0077 389 PHE 27 CG -0.0095 0.0056 -0.0076 390 PHE 27 CD1 -0.0098 0.0053 -0.0070 391 PHE 27 CD2 -0.0096 0.0052 -0.0082 392 PHE 27 CE1 -0.0100 0.0046 -0.0069 393 PHE 27 CE2 -0.0098 0.0045 -0.0082 394 PHE 27 CZ -0.0100 0.0042 -0.0075 395 PHE 27 H -0.0094 0.0065 -0.0071 396 PHE 27 HA -0.0094 0.0067 -0.0066 397 PHE 27 HB3 -0.0092 0.0066 -0.0079 398 PHE 27 HB2 -0.0092 0.0065 -0.0081 399 PHE 27 HD1 -0.0097 0.0057 -0.0065 400 PHE 27 HD2 -0.0094 0.0054 -0.0087 401 PHE 27 HE1 -0.0102 0.0044 -0.0064 402 PHE 27 HE2 -0.0098 0.0041 -0.0086 403 PHE 27 HZ -0.0102 0.0036 -0.0074 404 GLY 28 N -0.0089 0.0079 -0.0072 405 GLY 28 CA -0.0087 0.0086 -0.0073 406 GLY 28 C -0.0085 0.0088 -0.0081 407 GLY 28 O -0.0083 0.0094 -0.0082 408 GLY 28 H -0.0090 0.0076 -0.0072 409 GLY 28 HA3 -0.0087 0.0089 -0.0071 410 GLY 28 HA2 -0.0087 0.0088 -0.0070 411 TRP 29 N -0.0076 0.0076 -0.0080 412 TRP 29 CA -0.0075 0.0077 -0.0083 413 TRP 29 C -0.0073 0.0078 -0.0088 414 TRP 29 O -0.0075 0.0077 -0.0092 415 TRP 29 CB -0.0079 0.0075 -0.0085 416 TRP 29 CG -0.0082 0.0073 -0.0080 417 TRP 29 CD1 -0.0081 0.0074 -0.0075 418 TRP 29 CD2 -0.0086 0.0071 -0.0080 419 TRP 29 NE1 -0.0084 0.0072 -0.0072 420 TRP 29 CE2 -0.0088 0.0070 -0.0075 421 TRP 29 CE3 -0.0089 0.0069 -0.0084 422 TRP 29 CZ2 -0.0092 0.0068 -0.0074 423 TRP 29 CZ3 -0.0093 0.0067 -0.0083 424 TRP 29 CH2 -0.0095 0.0067 -0.0078 425 TRP 29 H -0.0079 0.0075 -0.0080 426 TRP 29 HA -0.0073 0.0078 -0.0081 427 TRP 29 HB3 -0.0079 0.0075 -0.0087 428 TRP 29 HB2 -0.0082 0.0073 -0.0087 429 TRP 29 HD1 -0.0077 0.0075 -0.0074 430 TRP 29 HE1 -0.0084 0.0072 -0.0068 431 TRP 29 HE3 -0.0089 0.0070 -0.0088 432 TRP 29 HZ2 -0.0092 0.0068 -0.0070 433 TRP 29 HZ3 -0.0096 0.0066 -0.0086 434 TRP 29 HH2 -0.0098 0.0065 -0.0077 435 ASP 30 N -0.0068 0.0080 -0.0088 436 ASP 30 CA -0.0065 0.0082 -0.0092 437 ASP 30 C -0.0066 0.0082 -0.0096 438 ASP 30 O -0.0064 0.0082 -0.0101 439 ASP 30 CB -0.0060 0.0084 -0.0091 440 ASP 30 CG -0.0058 0.0085 -0.0089 441 ASP 30 OD1 -0.0060 0.0084 -0.0086 442 ASP 30 OD2 -0.0054 0.0087 -0.0090 443 ASP 30 H -0.0067 0.0081 -0.0085 444 ASP 30 HA -0.0067 0.0081 -0.0094 445 ASP 30 HB3 -0.0060 0.0084 -0.0088 446 ASP 30 HB2 -0.0059 0.0085 -0.0094 447 TRP 31 N -0.0058 0.0077 -0.0086 448 TRP 31 CA -0.0059 0.0078 -0.0086 449 TRP 31 C -0.0068 0.0081 -0.0092 450 TRP 31 O -0.0069 0.0082 -0.0094 451 TRP 31 CB -0.0061 0.0077 -0.0075 452 TRP 31 CG -0.0068 0.0079 -0.0069 453 TRP 31 CD1 -0.0067 0.0078 -0.0064 454 TRP 31 CD2 -0.0078 0.0082 -0.0068 455 TRP 31 NE1 -0.0076 0.0080 -0.0059 456 TRP 31 CE2 -0.0083 0.0082 -0.0061 457 TRP 31 CE3 -0.0083 0.0084 -0.0071 458 TRP 31 CZ2 -0.0092 0.0085 -0.0059 459 TRP 31 CZ3 -0.0093 0.0087 -0.0069 460 TRP 31 CH2 -0.0097 0.0087 -0.0062 461 TRP 31 H -0.0060 0.0077 -0.0080 462 TRP 31 HA -0.0053 0.0076 -0.0089 463 TRP 31 HB3 -0.0054 0.0074 -0.0071 464 TRP 31 HB2 -0.0062 0.0077 -0.0075 465 TRP 31 HD1 -0.0061 0.0075 -0.0063 466 TRP 31 HE1 -0.0077 0.0080 -0.0055 467 TRP 31 HE3 -0.0080 0.0083 -0.0076 468 TRP 31 HZ2 -0.0096 0.0086 -0.0054 469 TRP 31 HZ3 -0.0097 0.0088 -0.0071 470 TRP 31 HH2 -0.0105 0.0090 -0.0060 471 ILE 32 N -0.0073 0.0083 -0.0095 472 ILE 32 CA -0.0081 0.0087 -0.0102 473 ILE 32 C -0.0077 0.0087 -0.0113 474 ILE 32 O -0.0074 0.0086 -0.0115 475 ILE 32 CB -0.0090 0.0089 -0.0100 476 ILE 32 CG1 -0.0095 0.0090 -0.0091 477 ILE 32 CG2 -0.0096 0.0092 -0.0109 478 ILE 32 CD1 -0.0102 0.0092 -0.0087 479 ILE 32 H -0.0073 0.0083 -0.0092 480 ILE 32 HA -0.0082 0.0087 -0.0102 481 ILE 32 HB -0.0088 0.0089 -0.0099 482 ILE 32 HG13 -0.0090 0.0088 -0.0086 483 ILE 32 HG12 -0.0099 0.0092 -0.0094 484 ILE 32 HG21 -0.0102 0.0094 -0.0108 485 ILE 32 HG22 -0.0092 0.0092 -0.0116 486 ILE 32 HG23 -0.0098 0.0093 -0.0111 487 ILE 32 HD11 -0.0106 0.0092 -0.0081 488 ILE 32 HD12 -0.0099 0.0090 -0.0084 489 ILE 32 HD13 -0.0107 0.0094 -0.0092 490 ILE 33 N -0.0065 0.0088 -0.0131 491 ILE 33 CA -0.0058 0.0089 -0.0147 492 ILE 33 C -0.0070 0.0095 -0.0158 493 ILE 33 O -0.0066 0.0096 -0.0168 494 ILE 33 CB -0.0052 0.0088 -0.0153 495 ILE 33 CG1 -0.0040 0.0082 -0.0142 496 ILE 33 CG2 -0.0046 0.0089 -0.0170 497 ILE 33 CD1 -0.0037 0.0081 -0.0144 498 ILE 33 H -0.0069 0.0089 -0.0127 499 ILE 33 HA -0.0048 0.0086 -0.0147 500 ILE 33 HB -0.0062 0.0091 -0.0152 501 ILE 33 HG13 -0.0043 0.0080 -0.0130 502 ILE 33 HG12 -0.0029 0.0078 -0.0145 503 ILE 33 HG21 -0.0042 0.0089 -0.0174 504 ILE 33 HG22 -0.0055 0.0094 -0.0178 505 ILE 33 HG23 -0.0037 0.0086 -0.0172 506 ILE 33 HD11 -0.0028 0.0076 -0.0136 507 ILE 33 HD12 -0.0047 0.0084 -0.0141 508 ILE 33 HD13 -0.0033 0.0082 -0.0156 509 ALA 34 N -0.0084 0.0100 -0.0157 510 ALA 34 CA -0.0096 0.0107 -0.0167 511 ALA 34 C -0.0112 0.0110 -0.0158 512 ALA 34 O -0.0113 0.0109 -0.0150 513 ALA 34 CB -0.0094 0.0109 -0.0183 514 ALA 34 H -0.0086 0.0099 -0.0149 515 ALA 34 HA -0.0095 0.0107 -0.0168 516 ALA 34 HB1 -0.0104 0.0114 -0.0190 517 ALA 34 HB2 -0.0083 0.0106 -0.0189 518 ALA 34 HB3 -0.0095 0.0109 -0.0182 519 PRO 35 N -0.0104 0.0090 -0.0126 520 PRO 35 CA -0.0103 0.0090 -0.0125 521 PRO 35 C -0.0100 0.0089 -0.0118 522 PRO 35 O -0.0099 0.0088 -0.0114 523 PRO 35 CB -0.0110 0.0089 -0.0126 524 PRO 35 CG -0.0114 0.0087 -0.0123 525 PRO 35 CD -0.0111 0.0088 -0.0125 526 PRO 35 HA -0.0100 0.0092 -0.0129 527 PRO 35 HB3 -0.0111 0.0090 -0.0131 528 PRO 35 HB2 -0.0110 0.0088 -0.0123 529 PRO 35 HG3 -0.0119 0.0086 -0.0125 530 PRO 35 HG2 -0.0114 0.0085 -0.0118 531 PRO 35 HD2 -0.0111 0.0087 -0.0121 532 PRO 35 HD3 -0.0113 0.0089 -0.0130 533 LYS 36 N -0.0097 0.0090 -0.0118 534 LYS 36 CA -0.0094 0.0089 -0.0112 535 LYS 36 C -0.0099 0.0086 -0.0107 536 LYS 36 O -0.0098 0.0085 -0.0101 537 LYS 36 CB -0.0089 0.0091 -0.0113 538 LYS 36 CG -0.0084 0.0093 -0.0117 539 LYS 36 CD -0.0079 0.0094 -0.0114 540 LYS 36 CE -0.0074 0.0096 -0.0118 541 LYS 36 NZ -0.0070 0.0097 -0.0115 542 LYS 36 H -0.0097 0.0091 -0.0122 543 LYS 36 HA -0.0091 0.0089 -0.0109 544 LYS 36 HB3 -0.0087 0.0090 -0.0108 545 LYS 36 HB2 -0.0092 0.0090 -0.0115 546 LYS 36 HG3 -0.0082 0.0094 -0.0118 547 LYS 36 HG2 -0.0086 0.0094 -0.0122 548 LYS 36 HD3 -0.0081 0.0093 -0.0112 549 LYS 36 HD2 -0.0077 0.0093 -0.0109 550 LYS 36 HE3 -0.0070 0.0097 -0.0118 551 LYS 36 HE2 -0.0076 0.0097 -0.0123 552 LYS 36 HZ1 -0.0073 0.0096 -0.0115 553 LYS 36 HZ2 -0.0066 0.0099 -0.0118 554 LYS 36 HZ3 -0.0068 0.0096 -0.0111 555 ARG 37 N -0.0098 0.0055 -0.0087 556 ARG 37 CA -0.0099 0.0053 -0.0085 557 ARG 37 C -0.0100 0.0049 -0.0088 558 ARG 37 O -0.0100 0.0048 -0.0090 559 ARG 37 CB -0.0101 0.0052 -0.0081 560 ARG 37 CG -0.0103 0.0049 -0.0081 561 ARG 37 CD -0.0104 0.0049 -0.0077 562 ARG 37 NE -0.0104 0.0052 -0.0074 563 ARG 37 CZ -0.0102 0.0055 -0.0074 564 ARG 37 NH1 -0.0102 0.0054 -0.0077 565 ARG 37 NH2 -0.0102 0.0058 -0.0072 566 ARG 37 H -0.0097 0.0054 -0.0089 567 ARG 37 HA -0.0099 0.0054 -0.0085 568 ARG 37 HB3 -0.0101 0.0055 -0.0079 569 ARG 37 HB2 -0.0102 0.0051 -0.0079 570 ARG 37 HG3 -0.0103 0.0047 -0.0083 571 ARG 37 HG2 -0.0102 0.0050 -0.0083 572 ARG 37 HD3 -0.0106 0.0047 -0.0076 573 ARG 37 HD2 -0.0105 0.0047 -0.0077 574 ARG 37 HE -0.0104 0.0053 -0.0072 575 ARG 37 HH12 -0.0101 0.0056 -0.0077 576 ARG 37 HH11 -0.0102 0.0052 -0.0079 577 ARG 37 HH22 -0.0101 0.0060 -0.0072 578 ARG 37 HH21 -0.0102 0.0059 -0.0070 579 TYR 38 N -0.0102 0.0047 -0.0087 580 TYR 38 CA -0.0102 0.0043 -0.0089 581 TYR 38 C -0.0104 0.0040 -0.0088 582 TYR 38 O -0.0105 0.0042 -0.0085 583 TYR 38 CB -0.0101 0.0044 -0.0093 584 TYR 38 CG -0.0100 0.0044 -0.0094 585 TYR 38 CD1 -0.0099 0.0048 -0.0092 586 TYR 38 CD2 -0.0101 0.0041 -0.0095 587 TYR 38 CE1 -0.0099 0.0048 -0.0092 588 TYR 38 CE2 -0.0101 0.0042 -0.0096 589 TYR 38 CZ -0.0100 0.0045 -0.0094 590 TYR 38 OH -0.0100 0.0045 -0.0094 591 TYR 38 H -0.0102 0.0047 -0.0085 592 TYR 38 HA -0.0103 0.0042 -0.0090 593 TYR 38 HB3 -0.0099 0.0046 -0.0094 594 TYR 38 HB2 -0.0101 0.0041 -0.0096 595 TYR 38 HD1 -0.0099 0.0050 -0.0091 596 TYR 38 HD2 -0.0102 0.0038 -0.0097 597 TYR 38 HE1 -0.0098 0.0051 -0.0091 598 TYR 38 HE2 -0.0101 0.0039 -0.0097 599 TYR 38 HH -0.0100 0.0043 -0.0096 600 LYS 39 N -0.0103 0.0012 -0.0074 601 LYS 39 CA -0.0103 0.0011 -0.0074 602 LYS 39 C -0.0101 0.0012 -0.0077 603 LYS 39 O -0.0098 0.0010 -0.0078 604 LYS 39 CB -0.0103 0.0007 -0.0073 605 LYS 39 CG -0.0106 0.0006 -0.0070 606 LYS 39 CD -0.0106 0.0002 -0.0069 607 LYS 39 CE -0.0106 -0.0000 -0.0068 608 LYS 39 NZ -0.0103 -0.0000 -0.0071 609 LYS 39 H -0.0103 0.0010 -0.0074 610 LYS 39 HA -0.0105 0.0012 -0.0073 611 LYS 39 HB3 -0.0103 0.0006 -0.0073 612 LYS 39 HB2 -0.0101 0.0005 -0.0074 613 LYS 39 HG3 -0.0106 0.0007 -0.0070 614 LYS 39 HG2 -0.0107 0.0007 -0.0069 615 LYS 39 HD3 -0.0107 0.0001 -0.0067 616 LYS 39 HD2 -0.0104 0.0000 -0.0070 617 LYS 39 HE3 -0.0107 0.0001 -0.0067 618 LYS 39 HE2 -0.0106 -0.0003 -0.0067 619 LYS 39 HZ1 -0.0102 0.0002 -0.0072 620 LYS 39 HZ2 -0.0101 -0.0002 -0.0072 621 LYS 39 HZ3 -0.0103 -0.0001 -0.0070 622 ALA 40 N -0.0101 0.0015 -0.0077 623 ALA 40 CA -0.0099 0.0016 -0.0080 624 ALA 40 C -0.0098 0.0014 -0.0080 625 ALA 40 O -0.0096 0.0013 -0.0082 626 ALA 40 CB -0.0099 0.0020 -0.0080 627 ALA 40 H -0.0103 0.0016 -0.0076 628 ALA 40 HA -0.0097 0.0015 -0.0081 629 ALA 40 HB1 -0.0098 0.0021 -0.0082 630 ALA 40 HB2 -0.0100 0.0021 -0.0081 631 ALA 40 HB3 -0.0101 0.0021 -0.0079 632 ASN 41 N -0.0099 -0.0004 -0.0071 633 ASN 41 CA -0.0092 0.0001 -0.0075 634 ASN 41 C -0.0088 0.0008 -0.0084 635 ASN 41 O -0.0091 0.0009 -0.0086 636 ASN 41 CB -0.0081 -0.0001 -0.0067 637 ASN 41 CG -0.0084 -0.0008 -0.0058 638 ASN 41 OD1 -0.0090 -0.0010 -0.0057 639 ASN 41 ND2 -0.0081 -0.0012 -0.0050 640 ASN 41 H -0.0107 -0.0006 -0.0070 641 ASN 41 HA -0.0096 0.0001 -0.0077 642 ASN 41 HB3 -0.0076 0.0002 -0.0070 643 ASN 41 HB2 -0.0076 -0.0000 -0.0066 644 ASN 41 HD22 -0.0083 -0.0017 -0.0044 645 ASN 41 HD21 -0.0077 -0.0010 -0.0051 646 TYR 42 N -0.0082 0.0013 -0.0089 647 TYR 42 CA -0.0078 0.0020 -0.0097 648 TYR 42 C -0.0068 0.0024 -0.0099 649 TYR 42 O -0.0066 0.0022 -0.0095 650 TYR 42 CB -0.0087 0.0023 -0.0106 651 TYR 42 CG -0.0091 0.0024 -0.0109 652 TYR 42 CD1 -0.0098 0.0019 -0.0104 653 TYR 42 CD2 -0.0088 0.0031 -0.0117 654 TYR 42 CE1 -0.0101 0.0020 -0.0107 655 TYR 42 CE2 -0.0091 0.0032 -0.0120 656 TYR 42 CZ -0.0098 0.0027 -0.0115 657 TYR 42 OH -0.0101 0.0028 -0.0119 658 TYR 42 H -0.0080 0.0012 -0.0086 659 TYR 42 HA -0.0075 0.0020 -0.0096 660 TYR 42 HB3 -0.0094 0.0020 -0.0104 661 TYR 42 HB2 -0.0084 0.0028 -0.0111 662 TYR 42 HD1 -0.0100 0.0014 -0.0098 663 TYR 42 HD2 -0.0082 0.0035 -0.0121 664 TYR 42 HE1 -0.0106 0.0016 -0.0103 665 TYR 42 HE2 -0.0089 0.0037 -0.0127 666 TYR 42 HH -0.0101 0.0032 -0.0125 667 CYS 43 N -0.0046 -0.0005 -0.0102 668 CYS 43 CA -0.0025 0.0001 -0.0107 669 CYS 43 C -0.0026 0.0009 -0.0126 670 CYS 43 O -0.0038 0.0013 -0.0141 671 CYS 43 CB -0.0010 0.0004 -0.0109 672 CYS 43 SG -0.0007 -0.0005 -0.0087 673 CYS 43 H -0.0052 -0.0003 -0.0109 674 CYS 43 HA -0.0018 -0.0003 -0.0095 675 CYS 43 HB3 0.0006 0.0009 -0.0113 676 CYS 43 HB2 -0.0016 0.0009 -0.0121 677 SER 44 N -0.0014 0.0011 -0.0127 678 SER 44 CA -0.0013 0.0019 -0.0145 679 SER 44 C 0.0008 0.0022 -0.0144 680 SER 44 O 0.0014 0.0017 -0.0128 681 SER 44 CB -0.0032 0.0017 -0.0147 682 SER 44 OG -0.0030 0.0024 -0.0164 683 SER 44 H -0.0005 0.0008 -0.0114 684 SER 44 HA -0.0013 0.0024 -0.0158 685 SER 44 HB3 -0.0033 0.0011 -0.0134 686 SER 44 HB2 -0.0047 0.0015 -0.0149 687 SER 44 HG -0.0039 0.0027 -0.0175 688 GLY 45 N 0.0051 -0.0025 -0.0173 689 GLY 45 CA 0.0084 -0.0014 -0.0177 690 GLY 45 C 0.0087 -0.0022 -0.0191 691 GLY 45 O 0.0063 -0.0035 -0.0196 692 GLY 45 H 0.0039 -0.0041 -0.0190 693 GLY 45 HA3 0.0090 0.0003 -0.0155 694 GLY 45 HA2 0.0102 -0.0015 -0.0190 695 GLN 46 N 0.0117 -0.0014 -0.0199 696 GLN 46 CA 0.0124 -0.0022 -0.0215 697 GLN 46 C 0.0116 -0.0011 -0.0194 698 GLN 46 O 0.0119 0.0007 -0.0168 699 GLN 46 CB 0.0159 -0.0018 -0.0232 700 GLN 46 CG 0.0169 -0.0028 -0.0254 701 GLN 46 CD 0.0149 -0.0053 -0.0277 702 GLN 46 OE1 0.0148 -0.0064 -0.0294 703 GLN 46 NE2 0.0131 -0.0061 -0.0277 704 GLN 46 H 0.0136 -0.0003 -0.0194 705 GLN 46 HA 0.0108 -0.0039 -0.0230 706 GLN 46 HB3 0.0164 -0.0024 -0.0243 707 GLN 46 HB2 0.0175 -0.0001 -0.0216 708 GLN 46 HG3 0.0195 -0.0025 -0.0265 709 GLN 46 HG2 0.0167 -0.0021 -0.0242 710 GLN 46 HE22 0.0117 -0.0077 -0.0292 711 GLN 46 HE21 0.0132 -0.0051 -0.0263 712 CYS 47 N 0.0119 -0.0040 -0.0163 713 CYS 47 CA 0.0110 -0.0026 -0.0139 714 CYS 47 C 0.0124 -0.0021 -0.0150 715 CYS 47 O 0.0114 -0.0039 -0.0157 716 CYS 47 CB 0.0081 -0.0043 -0.0122 717 CYS 47 SG 0.0064 -0.0043 -0.0102 718 CYS 47 H 0.0116 -0.0058 -0.0179 719 CYS 47 HA 0.0117 -0.0006 -0.0126 720 CYS 47 HB3 0.0076 -0.0035 -0.0107 721 CYS 47 HB2 0.0074 -0.0065 -0.0136 722 GLU 48 N 0.0147 0.0002 -0.0153 723 GLU 48 CA 0.0161 0.0009 -0.0163 724 GLU 48 C 0.0162 0.0033 -0.0140 725 GLU 48 O 0.0158 0.0049 -0.0118 726 GLU 48 CB 0.0189 0.0017 -0.0188 727 GLU 48 CG 0.0191 -0.0007 -0.0216 728 GLU 48 CD 0.0216 0.0003 -0.0234 729 GLU 48 OE1 0.0233 0.0029 -0.0228 730 GLU 48 OE2 0.0218 -0.0014 -0.0254 731 GLU 48 H 0.0154 0.0016 -0.0147 732 GLU 48 HA 0.0151 -0.0009 -0.0171 733 GLU 48 HB3 0.0201 0.0026 -0.0192 734 GLU 48 HB2 0.0198 0.0034 -0.0182 735 GLU 48 HG3 0.0174 -0.0022 -0.0211 736 GLU 48 HG2 0.0191 -0.0019 -0.0228 737 TYR 49 N 0.0161 0.0000 -0.0142 738 TYR 49 CA 0.0162 0.0025 -0.0123 739 TYR 49 C 0.0142 0.0025 -0.0094 740 TYR 49 O 0.0125 0.0004 -0.0087 741 TYR 49 CB 0.0182 0.0052 -0.0130 742 TYR 49 CG 0.0188 0.0080 -0.0115 743 TYR 49 CD1 0.0192 0.0084 -0.0117 744 TYR 49 CD2 0.0190 0.0103 -0.0100 745 TYR 49 CE1 0.0197 0.0110 -0.0104 746 TYR 49 CE2 0.0196 0.0128 -0.0087 747 TYR 49 CZ 0.0199 0.0132 -0.0089 748 TYR 49 OH 0.0205 0.0157 -0.0076 749 TYR 49 H 0.0162 -0.0013 -0.0154 750 TYR 49 HA 0.0164 0.0025 -0.0126 751 TYR 49 HB3 0.0181 0.0054 -0.0126 752 TYR 49 HB2 0.0195 0.0049 -0.0151 753 TYR 49 HD1 0.0190 0.0067 -0.0129 754 TYR 49 HD2 0.0188 0.0100 -0.0098 755 TYR 49 HE1 0.0200 0.0112 -0.0106 756 TYR 49 HE2 0.0197 0.0145 -0.0075 757 TYR 49 HH 0.0206 0.0156 -0.0080 758 MET 50 N 0.0145 0.0049 -0.0079 759 MET 50 CA 0.0127 0.0052 -0.0051 760 MET 50 C 0.0127 0.0056 -0.0047 761 MET 50 O 0.0115 0.0063 -0.0024 762 MET 50 CB 0.0129 0.0078 -0.0033 763 MET 50 CG 0.0131 0.0077 -0.0036 764 MET 50 SD 0.0134 0.0109 -0.0015 765 MET 50 CE 0.0110 0.0105 0.0017 766 MET 50 H 0.0159 0.0065 -0.0086 767 MET 50 HA 0.0113 0.0033 -0.0046 768 MET 50 HB3 0.0115 0.0079 -0.0012 769 MET 50 HB2 0.0142 0.0097 -0.0036 770 MET 50 HG3 0.0144 0.0075 -0.0057 771 MET 50 HG2 0.0117 0.0059 -0.0031 772 MET 50 HE1 0.0109 0.0123 0.0033 773 MET 50 HE2 0.0107 0.0104 0.0019 774 MET 50 HE3 0.0097 0.0085 0.0019 775 PHE 51 N 0.0150 0.0070 -0.0083 776 PHE 51 CA 0.0151 0.0075 -0.0080 777 PHE 51 C 0.0128 0.0057 -0.0066 778 PHE 51 O 0.0115 0.0033 -0.0071 779 PHE 51 CB 0.0168 0.0071 -0.0107 780 PHE 51 CG 0.0191 0.0090 -0.0122 781 PHE 51 CD1 0.0201 0.0118 -0.0108 782 PHE 51 CD2 0.0204 0.0079 -0.0149 783 PHE 51 CE1 0.0222 0.0135 -0.0121 784 PHE 51 CE2 0.0225 0.0096 -0.0162 785 PHE 51 CZ 0.0234 0.0124 -0.0148 786 PHE 51 H 0.0159 0.0063 -0.0102 787 PHE 51 HA 0.0157 0.0097 -0.0067 788 PHE 51 HB3 0.0169 0.0075 -0.0105 789 PHE 51 HB2 0.0163 0.0050 -0.0120 790 PHE 51 HD1 0.0192 0.0126 -0.0087 791 PHE 51 HD2 0.0197 0.0058 -0.0160 792 PHE 51 HE1 0.0229 0.0156 -0.0110 793 PHE 51 HE2 0.0234 0.0088 -0.0183 794 PHE 51 HZ 0.0251 0.0137 -0.0158 795 MET 52 N 0.0124 0.0070 -0.0048 796 MET 52 CA 0.0105 0.0055 -0.0036 797 MET 52 C 0.0083 0.0039 -0.0020 798 MET 52 O 0.0067 0.0017 -0.0019 799 MET 52 CB 0.0107 0.0034 -0.0058 800 MET 52 CG 0.0130 0.0046 -0.0079 801 MET 52 SD 0.0138 0.0074 -0.0063 802 MET 52 CE 0.0120 0.0056 -0.0056 803 MET 52 H 0.0135 0.0090 -0.0043 804 MET 52 HA 0.0105 0.0070 -0.0022 805 MET 52 HB3 0.0094 0.0027 -0.0048 806 MET 52 HB2 0.0101 0.0016 -0.0068 807 MET 52 HG3 0.0129 0.0029 -0.0094 808 MET 52 HG2 0.0142 0.0052 -0.0089 809 MET 52 HE1 0.0124 0.0071 -0.0046 810 MET 52 HE2 0.0124 0.0042 -0.0074 811 MET 52 HE3 0.0103 0.0045 -0.0042 812 GLN 53 N 0.0079 0.0000 -0.0017 813 GLN 53 CA 0.0073 -0.0005 -0.0011 814 GLN 53 C 0.0068 0.0001 -0.0004 815 GLN 53 O 0.0068 0.0010 -0.0003 816 GLN 53 CB 0.0072 -0.0006 -0.0010 817 GLN 53 CG 0.0076 -0.0014 -0.0016 818 GLN 53 CD 0.0075 -0.0015 -0.0015 819 GLN 53 OE1 0.0070 -0.0013 -0.0009 820 GLN 53 NE2 0.0079 -0.0019 -0.0021 821 GLN 53 H 0.0081 0.0006 -0.0018 822 GLN 53 HA 0.0072 -0.0012 -0.0012 823 GLN 53 HB3 0.0067 -0.0008 -0.0005 824 GLN 53 HB2 0.0073 0.0000 -0.0010 825 GLN 53 HG3 0.0081 -0.0012 -0.0021 826 GLN 53 HG2 0.0074 -0.0021 -0.0015 827 GLN 53 HE22 0.0079 -0.0020 -0.0021 828 GLN 53 HE21 0.0083 -0.0021 -0.0026 829 LYS 54 N 0.0062 -0.0005 0.0001 830 LYS 54 CA 0.0057 -0.0000 0.0007 831 LYS 54 C 0.0051 -0.0001 0.0014 832 LYS 54 O 0.0049 0.0006 0.0018 833 LYS 54 CB 0.0056 -0.0005 0.0008 834 LYS 54 CG 0.0050 -0.0003 0.0015 835 LYS 54 CD 0.0049 -0.0009 0.0015 836 LYS 54 CE 0.0044 -0.0006 0.0021 837 LYS 54 NZ 0.0042 -0.0013 0.0022 838 LYS 54 H 0.0062 -0.0012 -0.0000 839 LYS 54 HA 0.0059 0.0007 0.0006 840 LYS 54 HB3 0.0056 -0.0013 0.0007 841 LYS 54 HB2 0.0060 -0.0004 0.0003 842 LYS 54 HG3 0.0050 0.0004 0.0016 843 LYS 54 HG2 0.0046 -0.0006 0.0019 844 LYS 54 HD3 0.0048 -0.0017 0.0015 845 LYS 54 HD2 0.0054 -0.0009 0.0010 846 LYS 54 HE3 0.0046 0.0001 0.0021 847 LYS 54 HE2 0.0040 -0.0005 0.0026 848 LYS 54 HZ1 0.0046 -0.0016 0.0017 849 LYS 54 HZ2 0.0039 -0.0019 0.0025 850 LYS 54 HZ3 0.0040 -0.0010 0.0025 851 TYR 55 N 0.0032 -0.0059 0.0067 852 TYR 55 CA 0.0031 -0.0060 0.0066 853 TYR 55 C 0.0031 -0.0061 0.0065 854 TYR 55 O 0.0032 -0.0062 0.0065 855 TYR 55 CB 0.0029 -0.0060 0.0066 856 TYR 55 CG 0.0028 -0.0059 0.0066 857 TYR 55 CD1 0.0028 -0.0058 0.0067 858 TYR 55 CD2 0.0027 -0.0058 0.0067 859 TYR 55 CE1 0.0027 -0.0056 0.0068 860 TYR 55 CE2 0.0026 -0.0057 0.0067 861 TYR 55 CZ 0.0026 -0.0056 0.0068 862 TYR 55 OH 0.0025 -0.0055 0.0068 863 TYR 55 H 0.0032 -0.0059 0.0067 864 TYR 55 HA 0.0030 -0.0059 0.0067 865 TYR 55 HB3 0.0028 -0.0061 0.0065 866 TYR 55 HB2 0.0029 -0.0060 0.0065 867 TYR 55 HD1 0.0028 -0.0058 0.0067 868 TYR 55 HD2 0.0028 -0.0059 0.0066 869 TYR 55 HE1 0.0026 -0.0056 0.0068 870 TYR 55 HE2 0.0026 -0.0057 0.0067 871 TYR 55 HH 0.0025 -0.0054 0.0069 872 PRO 56 N 0.0031 -0.0062 0.0065 873 PRO 56 CA 0.0032 -0.0063 0.0064 874 PRO 56 C 0.0031 -0.0064 0.0063 875 PRO 56 O 0.0032 -0.0065 0.0063 876 PRO 56 CB 0.0031 -0.0063 0.0064 877 PRO 56 CG 0.0030 -0.0062 0.0064 878 PRO 56 CD 0.0030 -0.0061 0.0065 879 PRO 56 HA 0.0033 -0.0063 0.0065 880 PRO 56 HB3 0.0032 -0.0063 0.0065 881 PRO 56 HB2 0.0031 -0.0064 0.0063 882 PRO 56 HG3 0.0030 -0.0061 0.0065 883 PRO 56 HG2 0.0029 -0.0062 0.0064 884 PRO 56 HD2 0.0029 -0.0060 0.0065 885 PRO 56 HD3 0.0031 -0.0060 0.0066 886 HIS 57 N 0.0031 -0.0056 0.0063 887 HIS 57 CA 0.0030 -0.0063 0.0065 888 HIS 57 C 0.0034 -0.0066 0.0057 889 HIS 57 O 0.0034 -0.0068 0.0057 890 HIS 57 CB 0.0030 -0.0072 0.0069 891 HIS 57 CG 0.0030 -0.0080 0.0071 892 HIS 57 ND1 0.0033 -0.0087 0.0065 893 HIS 57 CD2 0.0027 -0.0083 0.0078 894 HIS 57 CE1 0.0032 -0.0093 0.0068 895 HIS 57 NE2 0.0028 -0.0091 0.0077 896 HIS 57 H 0.0030 -0.0057 0.0064 897 HIS 57 HA 0.0028 -0.0061 0.0070 898 HIS 57 HB3 0.0032 -0.0075 0.0064 899 HIS 57 HB2 0.0027 -0.0071 0.0074 900 HIS 57 HD2 0.0024 -0.0079 0.0084 901 HIS 57 HE1 0.0034 -0.0099 0.0064 902 HIS 57 HE2 0.0026 -0.0094 0.0081 903 THR 58 N 0.0037 -0.0066 0.0049 904 THR 58 CA 0.0041 -0.0068 0.0041 905 THR 58 C 0.0041 -0.0061 0.0039 906 THR 58 O 0.0043 -0.0064 0.0036 907 THR 58 CB 0.0044 -0.0066 0.0033 908 THR 58 OG1 0.0044 -0.0072 0.0035 909 THR 58 CG2 0.0048 -0.0068 0.0024 910 THR 58 H 0.0037 -0.0064 0.0049 911 THR 58 HA 0.0042 -0.0075 0.0041 912 THR 58 HB 0.0044 -0.0059 0.0033 913 THR 58 HG1 0.0046 -0.0078 0.0032 914 THR 58 HG21 0.0050 -0.0067 0.0019 915 THR 58 HG22 0.0048 -0.0064 0.0023 916 THR 58 HG23 0.0049 -0.0076 0.0025 917 HIS 59 N 0.0049 -0.0080 0.0048 918 HIS 59 CA 0.0046 -0.0075 0.0048 919 HIS 59 C 0.0042 -0.0079 0.0057 920 HIS 59 O 0.0042 -0.0079 0.0057 921 HIS 59 CB 0.0042 -0.0064 0.0047 922 HIS 59 CG 0.0039 -0.0058 0.0047 923 HIS 59 ND1 0.0032 -0.0054 0.0053 924 HIS 59 CD2 0.0043 -0.0057 0.0041 925 HIS 59 CE1 0.0032 -0.0050 0.0050 926 HIS 59 NE2 0.0039 -0.0052 0.0043 927 HIS 59 H 0.0048 -0.0076 0.0047 928 HIS 59 HA 0.0051 -0.0076 0.0043 929 HIS 59 HB3 0.0038 -0.0063 0.0051 930 HIS 59 HB2 0.0045 -0.0061 0.0041 931 HIS 59 HD2 0.0048 -0.0060 0.0036 932 HIS 59 HE1 0.0028 -0.0046 0.0054 933 HIS 59 HE2 0.0041 -0.0050 0.0039 934 LEU 60 N 0.0038 -0.0081 0.0064 935 LEU 60 CA 0.0034 -0.0085 0.0072 936 LEU 60 C 0.0038 -0.0094 0.0074 937 LEU 60 O 0.0036 -0.0096 0.0078 938 LEU 60 CB 0.0029 -0.0085 0.0079 939 LEU 60 CG 0.0024 -0.0075 0.0079 940 LEU 60 CD1 0.0020 -0.0076 0.0084 941 LEU 60 CD2 0.0018 -0.0070 0.0083 942 LEU 60 H 0.0038 -0.0081 0.0063 943 LEU 60 HA 0.0031 -0.0080 0.0073 944 LEU 60 HB3 0.0026 -0.0089 0.0085 945 LEU 60 HB2 0.0032 -0.0089 0.0078 946 LEU 60 HG 0.0026 -0.0071 0.0073 947 LEU 60 HD11 0.0017 -0.0069 0.0084 948 LEU 60 HD12 0.0024 -0.0079 0.0081 949 LEU 60 HD13 0.0018 -0.0080 0.0091 950 LEU 60 HD21 0.0015 -0.0063 0.0083 951 LEU 60 HD22 0.0016 -0.0074 0.0090 952 LEU 60 HD23 0.0021 -0.0070 0.0079 953 VAL 61 N 0.0023 -0.0085 0.0077 954 VAL 61 CA 0.0034 -0.0102 0.0083 955 VAL 61 C 0.0040 -0.0102 0.0078 956 VAL 61 O 0.0040 -0.0112 0.0088 957 VAL 61 CB 0.0050 -0.0110 0.0076 958 VAL 61 CG1 0.0064 -0.0127 0.0080 959 VAL 61 CG2 0.0046 -0.0114 0.0084 960 VAL 61 H 0.0027 -0.0079 0.0068 961 VAL 61 HA 0.0027 -0.0109 0.0096 962 VAL 61 HB 0.0056 -0.0102 0.0063 963 VAL 61 HG11 0.0075 -0.0133 0.0075 964 VAL 61 HG12 0.0067 -0.0124 0.0074 965 VAL 61 HG13 0.0058 -0.0135 0.0093 966 VAL 61 HG21 0.0057 -0.0120 0.0079 967 VAL 61 HG22 0.0040 -0.0122 0.0097 968 VAL 61 HG23 0.0037 -0.0102 0.0081 969 GLN 62 N 0.0043 -0.0089 0.0063 970 GLN 62 CA 0.0048 -0.0088 0.0057 971 GLN 62 C 0.0035 -0.0086 0.0068 972 GLN 62 O 0.0039 -0.0093 0.0071 973 GLN 62 CB 0.0051 -0.0073 0.0039 974 GLN 62 CG 0.0068 -0.0075 0.0026 975 GLN 62 CD 0.0070 -0.0059 0.0009 976 GLN 62 OE1 0.0060 -0.0047 0.0007 977 GLN 62 NE2 0.0082 -0.0059 -0.0003 978 GLN 62 H 0.0042 -0.0081 0.0056 979 GLN 62 HA 0.0060 -0.0099 0.0057 980 GLN 62 HB3 0.0051 -0.0069 0.0036 981 GLN 62 HB2 0.0041 -0.0062 0.0039 982 GLN 62 HG3 0.0069 -0.0080 0.0030 983 GLN 62 HG2 0.0079 -0.0085 0.0025 984 GLN 62 HE22 0.0084 -0.0049 -0.0014 985 GLN 62 HE21 0.0090 -0.0070 -0.0000 986 GLN 63 N 0.0042 -0.0108 0.0083 987 GLN 63 CA 0.0035 -0.0111 0.0086 988 GLN 63 C 0.0033 -0.0120 0.0092 989 GLN 63 O 0.0033 -0.0125 0.0096 990 GLN 63 CB 0.0026 -0.0105 0.0085 991 GLN 63 CG 0.0026 -0.0098 0.0080 992 GLN 63 CD 0.0017 -0.0094 0.0080 993 GLN 63 OE1 0.0011 -0.0092 0.0080 994 GLN 63 NE2 0.0015 -0.0094 0.0081 995 GLN 63 H 0.0040 -0.0103 0.0080 996 GLN 63 HA 0.0038 -0.0112 0.0086 997 GLN 63 HB3 0.0020 -0.0109 0.0088 998 GLN 63 HB2 0.0024 -0.0104 0.0084 999 GLN 63 HG3 0.0029 -0.0093 0.0077 1000 GLN 63 HG2 0.0031 -0.0099 0.0080 1001 GLN 63 HE22 0.0009 -0.0092 0.0081 1002 GLN 63 HE21 0.0021 -0.0096 0.0081 1003 ALA 64 N 0.0031 -0.0120 0.0093 1004 ALA 64 CA 0.0029 -0.0128 0.0098 1005 ALA 64 C 0.0038 -0.0135 0.0101 1006 ALA 64 O 0.0036 -0.0142 0.0105 1007 ALA 64 CB 0.0026 -0.0127 0.0099 1008 ALA 64 H 0.0031 -0.0116 0.0090 1009 ALA 64 HA 0.0023 -0.0130 0.0101 1010 ALA 64 HB1 0.0024 -0.0133 0.0103 1011 ALA 64 HB2 0.0020 -0.0123 0.0097 1012 ALA 64 HB3 0.0032 -0.0125 0.0096 1013 ASN 65 N 0.0038 -0.0140 0.0117 1014 ASN 65 CA 0.0055 -0.0146 0.0124 1015 ASN 65 C 0.0054 -0.0158 0.0130 1016 ASN 65 O 0.0056 -0.0172 0.0138 1017 ASN 65 CB 0.0061 -0.0154 0.0129 1018 ASN 65 CG 0.0081 -0.0159 0.0135 1019 ASN 65 OD1 0.0086 -0.0167 0.0140 1020 ASN 65 ND2 0.0090 -0.0155 0.0134 1021 ASN 65 H 0.0039 -0.0128 0.0110 1022 ASN 65 HA 0.0065 -0.0137 0.0120 1023 ASN 65 HB3 0.0053 -0.0165 0.0134 1024 ASN 65 HB2 0.0060 -0.0147 0.0124 1025 ASN 65 HD22 0.0103 -0.0158 0.0138 1026 ASN 65 HD21 0.0085 -0.0148 0.0129 1027 PRO 66 N 0.0049 -0.0153 0.0126 1028 PRO 66 CA 0.0047 -0.0163 0.0132 1029 PRO 66 C 0.0065 -0.0168 0.0137 1030 PRO 66 O 0.0079 -0.0160 0.0135 1031 PRO 66 CB 0.0037 -0.0154 0.0125 1032 PRO 66 CG 0.0043 -0.0137 0.0116 1033 PRO 66 CD 0.0046 -0.0136 0.0116 1034 PRO 66 HA 0.0039 -0.0174 0.0137 1035 PRO 66 HB3 0.0022 -0.0156 0.0124 1036 PRO 66 HB2 0.0041 -0.0157 0.0127 1037 PRO 66 HG3 0.0032 -0.0130 0.0110 1038 PRO 66 HG2 0.0055 -0.0134 0.0117 1039 PRO 66 HD2 0.0058 -0.0129 0.0114 1040 PRO 66 HD3 0.0034 -0.0133 0.0113 1041 ARG 67 N 0.0047 -0.0223 0.0148 1042 ARG 67 CA 0.0074 -0.0227 0.0162 1043 ARG 67 C 0.0086 -0.0188 0.0160 1044 ARG 67 O 0.0065 -0.0167 0.0145 1045 ARG 67 CB 0.0059 -0.0256 0.0161 1046 ARG 67 CG 0.0079 -0.0253 0.0170 1047 ARG 67 CD 0.0116 -0.0267 0.0192 1048 ARG 67 NE 0.0121 -0.0293 0.0199 1049 ARG 67 CZ 0.0152 -0.0303 0.0217 1050 ARG 67 NH1 0.0182 -0.0289 0.0229 1051 ARG 67 NH2 0.0154 -0.0327 0.0223 1052 ARG 67 H 0.0023 -0.0237 0.0139 1053 ARG 67 HA 0.0097 -0.0238 0.0176 1054 ARG 67 HB3 0.0031 -0.0253 0.0146 1055 ARG 67 HB2 0.0059 -0.0286 0.0167 1056 ARG 67 HG3 0.0081 -0.0223 0.0165 1057 ARG 67 HG2 0.0063 -0.0270 0.0166 1058 ARG 67 HD3 0.0136 -0.0242 0.0196 1059 ARG 67 HD2 0.0122 -0.0282 0.0198 1060 ARG 67 HE 0.0098 -0.0304 0.0190 1061 ARG 67 HH12 0.0206 -0.0296 0.0242 1062 ARG 67 HH11 0.0181 -0.0271 0.0224 1063 ARG 67 HH22 0.0178 -0.0334 0.0236 1064 ARG 67 HH21 0.0131 -0.0337 0.0214 1065 GLY 68 N 0.0121 -0.0179 0.0176 1066 GLY 68 CA 0.0138 -0.0144 0.0176 1067 GLY 68 C 0.0139 -0.0109 0.0170 1068 GLY 68 O 0.0149 -0.0076 0.0168 1069 GLY 68 H 0.0138 -0.0196 0.0187 1070 GLY 68 HA3 0.0123 -0.0138 0.0168 1071 GLY 68 HA2 0.0165 -0.0148 0.0191 1072 SER 69 N 0.0093 -0.0111 0.0136 1073 SER 69 CA 0.0091 -0.0109 0.0128 1074 SER 69 C 0.0092 -0.0109 0.0128 1075 SER 69 O 0.0087 -0.0112 0.0132 1076 SER 69 CB 0.0081 -0.0111 0.0125 1077 SER 69 OG 0.0075 -0.0114 0.0129 1078 SER 69 H 0.0088 -0.0114 0.0140 1079 SER 69 HA 0.0095 -0.0106 0.0123 1080 SER 69 HB3 0.0080 -0.0111 0.0125 1081 SER 69 HB2 0.0080 -0.0109 0.0118 1082 SER 69 HG 0.0074 -0.0116 0.0134 1083 ALA 70 N 0.0098 -0.0106 0.0124 1084 ALA 70 CA 0.0100 -0.0105 0.0123 1085 ALA 70 C 0.0094 -0.0104 0.0116 1086 ALA 70 O 0.0090 -0.0104 0.0111 1087 ALA 70 CB 0.0110 -0.0101 0.0122 1088 ALA 70 H 0.0102 -0.0103 0.0120 1089 ALA 70 HA 0.0099 -0.0107 0.0129 1090 ALA 70 HB1 0.0111 -0.0101 0.0122 1091 ALA 70 HB2 0.0114 -0.0102 0.0127 1092 ALA 70 HB3 0.0111 -0.0099 0.0116 1093 GLY 71 N 0.0067 -0.0136 -0.0019 1094 GLY 71 CA 0.0063 -0.0123 -0.0024 1095 GLY 71 C 0.0064 -0.0116 -0.0028 1096 GLY 71 O 0.0068 -0.0121 -0.0027 1097 GLY 71 H 0.0074 -0.0142 -0.0020 1098 GLY 71 HA3 0.0070 -0.0121 -0.0029 1099 GLY 71 HA2 0.0054 -0.0121 -0.0021 1100 PRO 72 N 0.0060 -0.0104 -0.0033 1101 PRO 72 CA 0.0060 -0.0097 -0.0037 1102 PRO 72 C 0.0073 -0.0098 -0.0043 1103 PRO 72 O 0.0082 -0.0099 -0.0046 1104 PRO 72 CB 0.0055 -0.0083 -0.0041 1105 PRO 72 CG 0.0049 -0.0084 -0.0037 1106 PRO 72 CD 0.0056 -0.0096 -0.0035 1107 PRO 72 HA 0.0054 -0.0099 -0.0032 1108 PRO 72 HB3 0.0048 -0.0079 -0.0039 1109 PRO 72 HB2 0.0062 -0.0078 -0.0047 1110 PRO 72 HG3 0.0039 -0.0085 -0.0032 1111 PRO 72 HG2 0.0049 -0.0077 -0.0041 1112 PRO 72 HD2 0.0064 -0.0094 -0.0040 1113 PRO 72 HD3 0.0049 -0.0100 -0.0029 1114 CYS 73 N 0.0006 -0.0017 -0.0032 1115 CYS 73 CA 0.0014 -0.0026 -0.0045 1116 CYS 73 C 0.0015 -0.0023 -0.0055 1117 CYS 73 O 0.0011 -0.0019 -0.0050 1118 CYS 73 CB 0.0022 -0.0043 -0.0038 1119 CYS 73 SG 0.0023 -0.0049 -0.0024 1120 CYS 73 H 0.0005 -0.0019 -0.0022 1121 CYS 73 HA 0.0015 -0.0024 -0.0053 1122 CYS 73 HB3 0.0022 -0.0045 -0.0033 1123 CYS 73 HB2 0.0028 -0.0049 -0.0049 1124 CYS 74 N 0.0020 -0.0025 -0.0071 1125 CYS 74 CA 0.0022 -0.0024 -0.0082 1126 CYS 74 C 0.0028 -0.0038 -0.0079 1127 CYS 74 O 0.0036 -0.0050 -0.0082 1128 CYS 74 CB 0.0024 -0.0022 -0.0100 1129 CYS 74 SG 0.0026 -0.0018 -0.0114 1130 CYS 74 H 0.0022 -0.0028 -0.0076 1131 CYS 74 HA 0.0016 -0.0014 -0.0079 1132 CYS 74 HB3 0.0031 -0.0031 -0.0103 1133 CYS 74 HB2 0.0020 -0.0013 -0.0102 1134 THR 75 N -0.0021 -0.0018 -0.0049 1135 THR 75 CA -0.0024 -0.0017 -0.0049 1136 THR 75 C -0.0026 -0.0011 -0.0049 1137 THR 75 O -0.0027 -0.0008 -0.0049 1138 THR 75 CB -0.0029 -0.0022 -0.0047 1139 THR 75 OG1 -0.0031 -0.0023 -0.0047 1140 THR 75 CG2 -0.0035 -0.0020 -0.0047 1141 THR 75 H -0.0023 -0.0015 -0.0049 1142 THR 75 HA -0.0021 -0.0019 -0.0049 1143 THR 75 HB -0.0028 -0.0026 -0.0047 1144 THR 75 HG1 -0.0031 -0.0028 -0.0047 1145 THR 75 HG21 -0.0038 -0.0023 -0.0046 1146 THR 75 HG22 -0.0034 -0.0019 -0.0047 1147 THR 75 HG23 -0.0036 -0.0016 -0.0047 1148 PRO 76 N -0.0027 -0.0010 -0.0049 1149 PRO 76 CA -0.0029 -0.0004 -0.0049 1150 PRO 76 C -0.0036 -0.0002 -0.0048 1151 PRO 76 O -0.0039 -0.0006 -0.0047 1152 PRO 76 CB -0.0030 -0.0003 -0.0049 1153 PRO 76 CG -0.0025 -0.0008 -0.0049 1154 PRO 76 CD -0.0025 -0.0013 -0.0049 1155 PRO 76 HA -0.0026 -0.0000 -0.0050 1156 PRO 76 HB3 -0.0028 0.0001 -0.0049 1157 PRO 76 HB2 -0.0034 -0.0005 -0.0048 1158 PRO 76 HG3 -0.0021 -0.0006 -0.0050 1159 PRO 76 HG2 -0.0026 -0.0010 -0.0049 1160 PRO 76 HD2 -0.0029 -0.0016 -0.0048 1161 PRO 76 HD3 -0.0021 -0.0015 -0.0049 1162 THR 77 N -0.0004 -0.0015 -0.0042 1163 THR 77 CA -0.0008 -0.0013 -0.0040 1164 THR 77 C -0.0013 -0.0007 -0.0034 1165 THR 77 O -0.0017 -0.0005 -0.0032 1166 THR 77 CB -0.0000 -0.0011 -0.0039 1167 THR 77 OG1 0.0006 -0.0007 -0.0036 1168 THR 77 CG2 0.0004 -0.0018 -0.0045 1169 THR 77 H 0.0000 -0.0012 -0.0040 1170 THR 77 HA -0.0012 -0.0017 -0.0043 1171 THR 77 HB -0.0003 -0.0009 -0.0037 1172 THR 77 HG1 0.0008 -0.0009 -0.0038 1173 THR 77 HG21 0.0010 -0.0017 -0.0045 1174 THR 77 HG22 -0.0001 -0.0022 -0.0048 1175 THR 77 HG23 0.0007 -0.0020 -0.0047 1176 LYS 78 N -0.0013 -0.0004 -0.0032 1177 LYS 78 CA -0.0018 0.0002 -0.0027 1178 LYS 78 C -0.0021 0.0002 -0.0026 1179 LYS 78 O -0.0015 0.0001 -0.0027 1180 LYS 78 CB -0.0014 0.0008 -0.0021 1181 LYS 78 CG -0.0019 0.0014 -0.0016 1182 LYS 78 CD -0.0015 0.0021 -0.0011 1183 LYS 78 CE -0.0020 0.0027 -0.0005 1184 LYS 78 NZ -0.0015 0.0034 0.0000 1185 LYS 78 H -0.0009 -0.0005 -0.0033 1186 LYS 78 HA -0.0024 0.0001 -0.0027 1187 LYS 78 HB3 -0.0008 0.0009 -0.0021 1188 LYS 78 HB2 -0.0011 0.0008 -0.0022 1189 LYS 78 HG3 -0.0025 0.0014 -0.0016 1190 LYS 78 HG2 -0.0022 0.0015 -0.0015 1191 LYS 78 HD3 -0.0008 0.0022 -0.0011 1192 LYS 78 HD2 -0.0013 0.0021 -0.0011 1193 LYS 78 HE3 -0.0026 0.0027 -0.0005 1194 LYS 78 HE2 -0.0022 0.0027 -0.0005 1195 LYS 78 HZ1 -0.0010 0.0034 -0.0000 1196 LYS 78 HZ2 -0.0019 0.0037 0.0004 1197 LYS 78 HZ3 -0.0013 0.0034 -0.0000 1198 MET 79 N -0.0059 0.0013 -0.0068 1199 MET 79 CA -0.0063 0.0016 -0.0066 1200 MET 79 C -0.0066 0.0020 -0.0062 1201 MET 79 O -0.0067 0.0020 -0.0063 1202 MET 79 CB -0.0067 0.0015 -0.0071 1203 MET 79 CG -0.0065 0.0012 -0.0075 1204 MET 79 SD -0.0062 0.0012 -0.0073 1205 MET 79 CE -0.0069 0.0014 -0.0075 1206 MET 79 H -0.0061 0.0013 -0.0069 1207 MET 79 HA -0.0061 0.0016 -0.0064 1208 MET 79 HB3 -0.0069 0.0017 -0.0070 1209 MET 79 HB2 -0.0069 0.0016 -0.0073 1210 MET 79 HG3 -0.0067 0.0011 -0.0079 1211 MET 79 HG2 -0.0061 0.0010 -0.0075 1212 MET 79 HE1 -0.0068 0.0014 -0.0074 1213 MET 79 HE2 -0.0070 0.0013 -0.0079 1214 MET 79 HE3 -0.0071 0.0017 -0.0072 1215 SER 80 N -0.0067 0.0022 -0.0059 1216 SER 80 CA -0.0070 0.0026 -0.0056 1217 SER 80 C -0.0075 0.0028 -0.0056 1218 SER 80 O -0.0075 0.0027 -0.0058 1219 SER 80 CB -0.0067 0.0027 -0.0050 1220 SER 80 OG -0.0064 0.0026 -0.0049 1221 SER 80 H -0.0066 0.0022 -0.0059 1222 SER 80 HA -0.0071 0.0026 -0.0057 1223 SER 80 HB3 -0.0070 0.0030 -0.0048 1224 SER 80 HB2 -0.0065 0.0026 -0.0050 1225 SER 80 HG -0.0061 0.0024 -0.0050 1226 PRO 81 N -0.0111 0.0066 -0.0092 1227 PRO 81 CA -0.0115 0.0067 -0.0092 1228 PRO 81 C -0.0111 0.0073 -0.0087 1229 PRO 81 O -0.0104 0.0077 -0.0083 1230 PRO 81 CB -0.0125 0.0071 -0.0092 1231 PRO 81 CG -0.0124 0.0075 -0.0088 1232 PRO 81 CD -0.0115 0.0070 -0.0090 1233 PRO 81 HA -0.0116 0.0061 -0.0096 1234 PRO 81 HB3 -0.0130 0.0066 -0.0096 1235 PRO 81 HB2 -0.0128 0.0075 -0.0089 1236 PRO 81 HG3 -0.0130 0.0075 -0.0090 1237 PRO 81 HG2 -0.0122 0.0081 -0.0084 1238 PRO 81 HD2 -0.0111 0.0075 -0.0086 1239 PRO 81 HD3 -0.0118 0.0066 -0.0093 1240 ILE 82 N -0.0114 0.0074 -0.0087 1241 ILE 82 CA -0.0112 0.0081 -0.0082 1242 ILE 82 C -0.0121 0.0085 -0.0082 1243 ILE 82 O -0.0128 0.0081 -0.0086 1244 ILE 82 CB -0.0105 0.0079 -0.0082 1245 ILE 82 CG1 -0.0108 0.0072 -0.0087 1246 ILE 82 CG2 -0.0095 0.0076 -0.0081 1247 ILE 82 CD1 -0.0102 0.0071 -0.0086 1248 ILE 82 H -0.0117 0.0070 -0.0091 1249 ILE 82 HA -0.0109 0.0086 -0.0079 1250 ILE 82 HB -0.0104 0.0084 -0.0078 1251 ILE 82 HG13 -0.0115 0.0074 -0.0088 1252 ILE 82 HG12 -0.0107 0.0066 -0.0090 1253 ILE 82 HG21 -0.0090 0.0075 -0.0081 1254 ILE 82 HG22 -0.0092 0.0081 -0.0078 1255 ILE 82 HG23 -0.0095 0.0071 -0.0085 1256 ILE 82 HD11 -0.0105 0.0067 -0.0090 1257 ILE 82 HD12 -0.0103 0.0077 -0.0083 1258 ILE 82 HD13 -0.0095 0.0070 -0.0086 1259 ASN 83 N -0.0135 0.0126 -0.0103 1260 ASN 83 CA -0.0140 0.0132 -0.0104 1261 ASN 83 C -0.0132 0.0130 -0.0102 1262 ASN 83 O -0.0121 0.0130 -0.0100 1263 ASN 83 CB -0.0142 0.0146 -0.0104 1264 ASN 83 CG -0.0150 0.0149 -0.0105 1265 ASN 83 OD1 -0.0160 0.0145 -0.0107 1266 ASN 83 ND2 -0.0145 0.0155 -0.0104 1267 ASN 83 H -0.0130 0.0131 -0.0102 1268 ASN 83 HA -0.0149 0.0128 -0.0105 1269 ASN 83 HB3 -0.0145 0.0150 -0.0104 1270 ASN 83 HB2 -0.0133 0.0150 -0.0102 1271 ASN 83 HD22 -0.0150 0.0157 -0.0105 1272 ASN 83 HD21 -0.0137 0.0157 -0.0103 1273 MET 84 N -0.0137 0.0126 -0.0103 1274 MET 84 CA -0.0130 0.0123 -0.0102 1275 MET 84 C -0.0135 0.0129 -0.0103 1276 MET 84 O -0.0146 0.0132 -0.0105 1277 MET 84 CB -0.0130 0.0109 -0.0102 1278 MET 84 CG -0.0124 0.0103 -0.0101 1279 MET 84 SD -0.0122 0.0087 -0.0101 1280 MET 84 CE -0.0110 0.0087 -0.0099 1281 MET 84 H -0.0146 0.0126 -0.0105 1282 MET 84 HA -0.0121 0.0126 -0.0100 1283 MET 84 HB3 -0.0125 0.0107 -0.0101 1284 MET 84 HB2 -0.0139 0.0106 -0.0104 1285 MET 84 HG3 -0.0129 0.0104 -0.0102 1286 MET 84 HG2 -0.0115 0.0107 -0.0100 1287 MET 84 HE1 -0.0107 0.0077 -0.0099 1288 MET 84 HE2 -0.0112 0.0092 -0.0099 1289 MET 84 HE3 -0.0102 0.0091 -0.0097 1290 LEU 85 N -0.0139 0.0130 -0.0141 1291 LEU 85 CA -0.0118 0.0121 -0.0142 1292 LEU 85 C -0.0103 0.0109 -0.0126 1293 LEU 85 O -0.0100 0.0109 -0.0129 1294 LEU 85 CB -0.0107 0.0122 -0.0168 1295 LEU 85 CG -0.0089 0.0115 -0.0174 1296 LEU 85 CD1 -0.0099 0.0119 -0.0171 1297 LEU 85 CD2 -0.0078 0.0117 -0.0200 1298 LEU 85 H -0.0139 0.0132 -0.0147 1299 LEU 85 HA -0.0121 0.0120 -0.0135 1300 LEU 85 HB3 -0.0100 0.0120 -0.0174 1301 LEU 85 HB2 -0.0120 0.0132 -0.0180 1302 LEU 85 HG -0.0077 0.0106 -0.0162 1303 LEU 85 HD11 -0.0086 0.0114 -0.0175 1304 LEU 85 HD12 -0.0107 0.0118 -0.0152 1305 LEU 85 HD13 -0.0112 0.0129 -0.0183 1306 LEU 85 HD21 -0.0065 0.0112 -0.0204 1307 LEU 85 HD22 -0.0091 0.0126 -0.0212 1308 LEU 85 HD23 -0.0070 0.0113 -0.0201 1309 TYR 86 N -0.0095 0.0101 -0.0109 1310 TYR 86 CA -0.0084 0.0091 -0.0090 1311 TYR 86 C -0.0067 0.0080 -0.0079 1312 TYR 86 O -0.0068 0.0081 -0.0082 1313 TYR 86 CB -0.0101 0.0094 -0.0070 1314 TYR 86 CG -0.0115 0.0097 -0.0057 1315 TYR 86 CD1 -0.0135 0.0109 -0.0066 1316 TYR 86 CD2 -0.0109 0.0089 -0.0037 1317 TYR 86 CE1 -0.0148 0.0112 -0.0054 1318 TYR 86 CE2 -0.0121 0.0092 -0.0025 1319 TYR 86 CZ -0.0141 0.0103 -0.0033 1320 TYR 86 OH -0.0153 0.0106 -0.0022 1321 TYR 86 H -0.0097 0.0102 -0.0108 1322 TYR 86 HA -0.0075 0.0089 -0.0099 1323 TYR 86 HB3 -0.0112 0.0101 -0.0078 1324 TYR 86 HB2 -0.0093 0.0087 -0.0057 1325 TYR 86 HD1 -0.0141 0.0116 -0.0082 1326 TYR 86 HD2 -0.0093 0.0080 -0.0030 1327 TYR 86 HE1 -0.0163 0.0121 -0.0061 1328 TYR 86 HE2 -0.0116 0.0085 -0.0009 1329 TYR 86 HH -0.0166 0.0114 -0.0030 1330 PHE 87 N -0.0056 0.0071 -0.0060 1331 PHE 87 CA -0.0028 0.0047 -0.0032 1332 PHE 87 C -0.0039 0.0055 0.0015 1333 PHE 87 O -0.0053 0.0066 0.0031 1334 PHE 87 CB 0.0000 0.0024 -0.0039 1335 PHE 87 CG 0.0018 0.0011 -0.0082 1336 PHE 87 CD1 0.0042 -0.0008 -0.0089 1337 PHE 87 CD2 0.0012 0.0018 -0.0114 1338 PHE 87 CE1 0.0058 -0.0020 -0.0128 1339 PHE 87 CE2 0.0028 0.0005 -0.0154 1340 PHE 87 CZ 0.0052 -0.0013 -0.0161 1341 PHE 87 H -0.0060 0.0074 -0.0067 1342 PHE 87 HA -0.0019 0.0040 -0.0040 1343 PHE 87 HB3 0.0018 0.0009 -0.0013 1344 PHE 87 HB2 -0.0009 0.0032 -0.0035 1345 PHE 87 HD1 0.0047 -0.0013 -0.0064 1346 PHE 87 HD2 -0.0006 0.0032 -0.0109 1347 PHE 87 HE1 0.0077 -0.0035 -0.0134 1348 PHE 87 HE2 0.0023 0.0011 -0.0179 1349 PHE 87 HZ 0.0064 -0.0023 -0.0192 1350 ASN 88 N -0.0033 0.0049 0.0038 1351 ASN 88 CA -0.0040 0.0053 0.0084 1352 ASN 88 C -0.0012 0.0029 0.0109 1353 ASN 88 O 0.0012 0.0010 0.0090 1354 ASN 88 CB -0.0047 0.0058 0.0100 1355 ASN 88 CG -0.0017 0.0034 0.0094 1356 ASN 88 OD1 0.0010 0.0012 0.0083 1357 ASN 88 ND2 -0.0023 0.0039 0.0102 1358 ASN 88 H -0.0024 0.0042 0.0023 1359 ASN 88 HA -0.0062 0.0071 0.0091 1360 ASN 88 HB3 -0.0068 0.0076 0.0083 1361 ASN 88 HB2 -0.0055 0.0063 0.0134 1362 ASN 88 HD22 -0.0005 0.0023 0.0098 1363 ASN 88 HD21 -0.0046 0.0057 0.0111 1364 ASP 89 N 0.0004 0.0059 0.0208 1365 ASP 89 CA 0.0040 0.0022 0.0249 1366 ASP 89 C 0.0089 -0.0033 0.0236 1367 ASP 89 O 0.0122 -0.0068 0.0239 1368 ASP 89 CB 0.0031 0.0036 0.0325 1369 ASP 89 CG 0.0028 0.0040 0.0349 1370 ASP 89 OD1 0.0017 0.0050 0.0306 1371 ASP 89 OD2 0.0037 0.0034 0.0411 1372 ASP 89 H -0.0022 0.0089 0.0234 1373 ASP 89 HA 0.0037 0.0025 0.0235 1374 ASP 89 HB3 -0.0002 0.0072 0.0336 1375 ASP 89 HB2 0.0058 0.0008 0.0355 1376 LYS 90 N 0.0095 -0.0040 0.0221 1377 LYS 90 CA 0.0141 -0.0090 0.0205 1378 LYS 90 C 0.0151 -0.0105 0.0130 1379 LYS 90 O 0.0186 -0.0145 0.0107 1380 LYS 90 CB 0.0145 -0.0093 0.0226 1381 LYS 90 CG 0.0141 -0.0085 0.0302 1382 LYS 90 CD 0.0123 -0.0065 0.0312 1383 LYS 90 CE 0.0132 -0.0070 0.0385 1384 LYS 90 NZ 0.0130 -0.0068 0.0388 1385 LYS 90 H 0.0068 -0.0010 0.0221 1386 LYS 90 HA 0.0167 -0.0117 0.0235 1387 LYS 90 HB3 0.0178 -0.0130 0.0209 1388 LYS 90 HB2 0.0118 -0.0066 0.0197 1389 LYS 90 HG3 0.0117 -0.0058 0.0323 1390 LYS 90 HG2 0.0175 -0.0121 0.0327 1391 LYS 90 HD3 0.0141 -0.0086 0.0278 1392 LYS 90 HD2 0.0086 -0.0026 0.0299 1393 LYS 90 HE3 0.0105 -0.0040 0.0417 1394 LYS 90 HE2 0.0166 -0.0106 0.0404 1395 LYS 90 HZ1 0.0155 -0.0097 0.0359 1396 LYS 90 HZ2 0.0136 -0.0072 0.0437 1397 LYS 90 HZ3 0.0099 -0.0035 0.0371 1398 GLN 91 N 0.0102 -0.0052 0.0096 1399 GLN 91 CA 0.0107 -0.0058 0.0035 1400 GLN 91 C 0.0105 -0.0057 -0.0006 1401 GLN 91 O 0.0126 -0.0074 -0.0053 1402 GLN 91 CB 0.0152 -0.0093 0.0025 1403 GLN 91 CG 0.0156 -0.0096 0.0064 1404 GLN 91 CD 0.0117 -0.0065 0.0053 1405 GLN 91 OE1 0.0097 -0.0050 0.0006 1406 GLN 91 NE2 0.0105 -0.0054 0.0099 1407 GLN 91 H 0.0075 -0.0030 0.0118 1408 GLN 91 HA 0.0078 -0.0035 0.0023 1409 GLN 91 HB3 0.0154 -0.0096 -0.0021 1410 GLN 91 HB2 0.0181 -0.0117 0.0034 1411 GLN 91 HG3 0.0188 -0.0122 0.0056 1412 GLN 91 HG2 0.0157 -0.0095 0.0110 1413 GLN 91 HE22 0.0079 -0.0034 0.0094 1414 GLN 91 HE21 0.0122 -0.0067 0.0137 1415 GLN 92 N 0.0081 -0.0037 0.0012 1416 GLN 92 CA 0.0072 -0.0031 -0.0026 1417 GLN 92 C 0.0031 0.0001 -0.0066 1418 GLN 92 O -0.0000 0.0026 -0.0050 1419 GLN 92 CB 0.0062 -0.0022 0.0011 1420 GLN 92 CG 0.0102 -0.0053 0.0051 1421 GLN 92 CD 0.0088 -0.0041 0.0095 1422 GLN 92 OE1 0.0050 -0.0010 0.0118 1423 GLN 92 NE2 0.0119 -0.0065 0.0107 1424 GLN 92 H 0.0068 -0.0026 0.0053 1425 GLN 92 HA 0.0102 -0.0055 -0.0053 1426 GLN 92 HB3 0.0053 -0.0016 -0.0018 1427 GLN 92 HB2 0.0032 0.0003 0.0037 1428 GLN 92 HG3 0.0115 -0.0063 0.0074 1429 GLN 92 HG2 0.0130 -0.0076 0.0024 1430 GLN 92 HE22 0.0111 -0.0059 0.0136 1431 GLN 92 HE21 0.0150 -0.0090 0.0086 1432 ILE 93 N 0.0019 0.0031 -0.0091 1433 ILE 93 CA -0.0005 0.0051 -0.0116 1434 ILE 93 C -0.0040 0.0067 -0.0107 1435 ILE 93 O -0.0043 0.0071 -0.0114 1436 ILE 93 CB 0.0009 0.0055 -0.0158 1437 ILE 93 CG1 0.0043 0.0038 -0.0166 1438 ILE 93 CG2 -0.0017 0.0075 -0.0182 1439 ILE 93 CD1 0.0062 0.0038 -0.0204 1440 ILE 93 H 0.0037 0.0024 -0.0102 1441 ILE 93 HA -0.0008 0.0051 -0.0109 1442 ILE 93 HB 0.0013 0.0054 -0.0164 1443 ILE 93 HG13 0.0060 0.0024 -0.0145 1444 ILE 93 HG12 0.0039 0.0040 -0.0165 1445 ILE 93 HG21 -0.0007 0.0078 -0.0212 1446 ILE 93 HG22 -0.0041 0.0087 -0.0177 1447 ILE 93 HG23 -0.0021 0.0076 -0.0176 1448 ILE 93 HD11 0.0087 0.0026 -0.0209 1449 ILE 93 HD12 0.0068 0.0036 -0.0205 1450 ILE 93 HD13 0.0047 0.0053 -0.0226 1451 ILE 94 N -0.0066 0.0077 -0.0092 1452 ILE 94 CA -0.0099 0.0092 -0.0081 1453 ILE 94 C -0.0126 0.0112 -0.0102 1454 ILE 94 O -0.0128 0.0114 -0.0105 1455 ILE 94 CB -0.0111 0.0087 -0.0038 1456 ILE 94 CG1 -0.0084 0.0066 -0.0015 1457 ILE 94 CG2 -0.0147 0.0103 -0.0027 1458 ILE 94 CD1 -0.0081 0.0066 -0.0021 1459 ILE 94 H -0.0062 0.0074 -0.0088 1460 ILE 94 HA -0.0098 0.0093 -0.0088 1461 ILE 94 HB -0.0112 0.0085 -0.0031 1462 ILE 94 HG13 -0.0092 0.0062 0.0015 1463 ILE 94 HG12 -0.0059 0.0055 -0.0023 1464 ILE 94 HG21 -0.0154 0.0099 0.0003 1465 ILE 94 HG22 -0.0165 0.0117 -0.0042 1466 ILE 94 HG23 -0.0146 0.0105 -0.0034 1467 ILE 94 HD11 -0.0062 0.0051 -0.0004 1468 ILE 94 HD12 -0.0106 0.0077 -0.0013 1469 ILE 94 HD13 -0.0073 0.0070 -0.0051 1470 TYR 95 N -0.0151 0.0135 -0.0106 1471 TYR 95 CA -0.0154 0.0145 -0.0110 1472 TYR 95 C -0.0171 0.0140 -0.0102 1473 TYR 95 O -0.0184 0.0139 -0.0097 1474 TYR 95 CB -0.0156 0.0164 -0.0118 1475 TYR 95 CG -0.0162 0.0175 -0.0122 1476 TYR 95 CD1 -0.0150 0.0180 -0.0128 1477 TYR 95 CD2 -0.0181 0.0181 -0.0119 1478 TYR 95 CE1 -0.0156 0.0191 -0.0131 1479 TYR 95 CE2 -0.0186 0.0191 -0.0122 1480 TYR 95 CZ -0.0174 0.0196 -0.0128 1481 TYR 95 OH -0.0180 0.0207 -0.0131 1482 TYR 95 H -0.0158 0.0139 -0.0106 1483 TYR 95 HA -0.0142 0.0142 -0.0112 1484 TYR 95 HB3 -0.0165 0.0167 -0.0117 1485 TYR 95 HB2 -0.0143 0.0167 -0.0124 1486 TYR 95 HD1 -0.0136 0.0176 -0.0131 1487 TYR 95 HD2 -0.0191 0.0177 -0.0114 1488 TYR 95 HE1 -0.0146 0.0195 -0.0136 1489 TYR 95 HE2 -0.0201 0.0196 -0.0119 1490 TYR 95 HH -0.0192 0.0209 -0.0129 1491 GLY 96 N -0.0170 0.0138 -0.0102 1492 GLY 96 CA -0.0185 0.0134 -0.0095 1493 GLY 96 C -0.0186 0.0138 -0.0097 1494 GLY 96 O -0.0172 0.0137 -0.0101 1495 GLY 96 H -0.0158 0.0140 -0.0106 1496 GLY 96 HA3 -0.0187 0.0121 -0.0088 1497 GLY 96 HA2 -0.0198 0.0141 -0.0094 1498 LYS 97 N -0.0167 0.0133 -0.0100 1499 LYS 97 CA -0.0163 0.0125 -0.0098 1500 LYS 97 C -0.0164 0.0107 -0.0097 1501 LYS 97 O -0.0176 0.0100 -0.0101 1502 LYS 97 CB -0.0174 0.0130 -0.0103 1503 LYS 97 CG -0.0169 0.0125 -0.0100 1504 LYS 97 CD -0.0180 0.0132 -0.0105 1505 LYS 97 CE -0.0172 0.0147 -0.0103 1506 LYS 97 NZ -0.0168 0.0161 -0.0103 1507 LYS 97 H -0.0179 0.0136 -0.0104 1508 LYS 97 HA -0.0151 0.0129 -0.0094 1509 LYS 97 HB3 -0.0186 0.0125 -0.0106 1510 LYS 97 HB2 -0.0175 0.0144 -0.0104 1511 LYS 97 HG3 -0.0157 0.0129 -0.0097 1512 LYS 97 HG2 -0.0170 0.0111 -0.0100 1513 LYS 97 HD3 -0.0183 0.0123 -0.0105 1514 LYS 97 HD2 -0.0191 0.0136 -0.0109 1515 LYS 97 HE3 -0.0162 0.0143 -0.0099 1516 LYS 97 HE2 -0.0180 0.0151 -0.0106 1517 LYS 97 HZ1 -0.0158 0.0158 -0.0099 1518 LYS 97 HZ2 -0.0176 0.0162 -0.0106 1519 LYS 97 HZ3 -0.0166 0.0171 -0.0103 1520 ILE 98 N -0.0150 0.0099 -0.0092 1521 ILE 98 CA -0.0149 0.0081 -0.0090 1522 ILE 98 C -0.0149 0.0070 -0.0089 1523 ILE 98 O -0.0137 0.0070 -0.0085 1524 ILE 98 CB -0.0135 0.0078 -0.0085 1525 ILE 98 CG1 -0.0134 0.0089 -0.0086 1526 ILE 98 CG2 -0.0135 0.0059 -0.0084 1527 ILE 98 CD1 -0.0147 0.0087 -0.0090 1528 ILE 98 H -0.0141 0.0105 -0.0089 1529 ILE 98 HA -0.0160 0.0077 -0.0094 1530 ILE 98 HB -0.0124 0.0080 -0.0082 1531 ILE 98 HG13 -0.0123 0.0088 -0.0082 1532 ILE 98 HG12 -0.0133 0.0102 -0.0086 1533 ILE 98 HG21 -0.0125 0.0057 -0.0080 1534 ILE 98 HG22 -0.0135 0.0052 -0.0083 1535 ILE 98 HG23 -0.0145 0.0057 -0.0087 1536 ILE 98 HD11 -0.0146 0.0096 -0.0090 1537 ILE 98 HD12 -0.0148 0.0075 -0.0089 1538 ILE 98 HD13 -0.0158 0.0090 -0.0094 1539 PRO 99 N -0.0121 0.0065 -0.0086 1540 PRO 99 CA -0.0113 0.0053 -0.0089 1541 PRO 99 C -0.0103 0.0043 -0.0089 1542 PRO 99 O -0.0106 0.0042 -0.0091 1543 PRO 99 CB -0.0122 0.0048 -0.0101 1544 PRO 99 CG -0.0134 0.0059 -0.0103 1545 PRO 99 CD -0.0134 0.0067 -0.0096 1546 PRO 99 HA -0.0108 0.0055 -0.0082 1547 PRO 99 HB3 -0.0119 0.0044 -0.0101 1548 PRO 99 HB2 -0.0122 0.0040 -0.0107 1549 PRO 99 HG3 -0.0135 0.0065 -0.0099 1550 PRO 99 HG2 -0.0142 0.0055 -0.0112 1551 PRO 99 HD2 -0.0137 0.0063 -0.0102 1552 PRO 99 HD3 -0.0140 0.0077 -0.0093 1553 GLY 100 N -0.0093 0.0034 -0.0086 1554 GLY 100 CA -0.0084 0.0023 -0.0087 1555 GLY 100 C -0.0077 0.0026 -0.0079 1556 GLY 100 O -0.0075 0.0020 -0.0082 1557 GLY 100 H -0.0091 0.0036 -0.0083 1558 GLY 100 HA3 -0.0089 0.0017 -0.0096 1559 GLY 100 HA2 -0.0077 0.0017 -0.0086 1560 MET 101 N -0.0086 0.0029 -0.0089 1561 MET 101 CA -0.0087 0.0032 -0.0083 1562 MET 101 C -0.0082 0.0028 -0.0078 1563 MET 101 O -0.0081 0.0028 -0.0074 1564 MET 101 CB -0.0090 0.0038 -0.0080 1565 MET 101 CG -0.0095 0.0043 -0.0084 1566 MET 101 SD -0.0097 0.0045 -0.0085 1567 MET 101 CE -0.0098 0.0049 -0.0076 1568 MET 101 H -0.0086 0.0029 -0.0088 1569 MET 101 HA -0.0088 0.0033 -0.0086 1570 MET 101 HB3 -0.0090 0.0039 -0.0074 1571 MET 101 HB2 -0.0090 0.0037 -0.0078 1572 MET 101 HG3 -0.0098 0.0047 -0.0082 1573 MET 101 HG2 -0.0096 0.0041 -0.0090 1574 MET 101 HE1 -0.0099 0.0051 -0.0076 1575 MET 101 HE2 -0.0100 0.0053 -0.0075 1576 MET 101 HE3 -0.0094 0.0046 -0.0072 1577 VAL 102 N -0.0079 0.0024 -0.0076 1578 VAL 102 CA -0.0075 0.0020 -0.0071 1579 VAL 102 C -0.0070 0.0014 -0.0074 1580 VAL 102 O -0.0070 0.0012 -0.0079 1581 VAL 102 CB -0.0074 0.0021 -0.0065 1582 VAL 102 CG1 -0.0069 0.0017 -0.0060 1583 VAL 102 CG2 -0.0078 0.0028 -0.0061 1584 VAL 102 H -0.0080 0.0024 -0.0079 1585 VAL 102 HA -0.0074 0.0021 -0.0068 1586 VAL 102 HB -0.0075 0.0021 -0.0068 1587 VAL 102 HG11 -0.0069 0.0018 -0.0056 1588 VAL 102 HG12 -0.0067 0.0012 -0.0063 1589 VAL 102 HG13 -0.0069 0.0017 -0.0057 1590 VAL 102 HG21 -0.0077 0.0029 -0.0058 1591 VAL 102 HG22 -0.0078 0.0028 -0.0058 1592 VAL 102 HG23 -0.0081 0.0031 -0.0065 1593 VAL 103 N -0.0061 0.0004 -0.0053 1594 VAL 103 CA -0.0050 0.0004 -0.0056 1595 VAL 103 C -0.0043 0.0002 -0.0046 1596 VAL 103 O -0.0044 0.0002 -0.0042 1597 VAL 103 CB -0.0047 0.0004 -0.0065 1598 VAL 103 CG1 -0.0035 0.0003 -0.0067 1599 VAL 103 CG2 -0.0053 0.0005 -0.0075 1600 VAL 103 H -0.0065 0.0005 -0.0053 1601 VAL 103 HA -0.0049 0.0004 -0.0059 1602 VAL 103 HB -0.0050 0.0004 -0.0063 1603 VAL 103 HG11 -0.0033 0.0003 -0.0073 1604 VAL 103 HG12 -0.0031 0.0002 -0.0059 1605 VAL 103 HG13 -0.0033 0.0003 -0.0069 1606 VAL 103 HG21 -0.0051 0.0005 -0.0081 1607 VAL 103 HG22 -0.0050 0.0005 -0.0078 1608 VAL 103 HG23 -0.0061 0.0005 -0.0074 1609 ASP 104 N -0.0037 0.0002 -0.0044 1610 ASP 104 CA -0.0030 0.0000 -0.0035 1611 ASP 104 C -0.0019 -0.0000 -0.0038 1612 ASP 104 O -0.0013 -0.0001 -0.0032 1613 ASP 104 CB -0.0028 0.0000 -0.0029 1614 ASP 104 CG -0.0039 0.0001 -0.0025 1615 ASP 104 OD1 -0.0046 0.0001 -0.0022 1616 ASP 104 OD2 -0.0040 0.0001 -0.0025 1617 ASP 104 H -0.0037 0.0002 -0.0048 1618 ASP 104 HA -0.0033 0.0000 -0.0029 1619 ASP 104 HB3 -0.0023 -0.0001 -0.0023 1620 ASP 104 HB2 -0.0025 0.0000 -0.0035 1621 ARG 105 N -0.0008 0.0008 -0.0028 1622 ARG 105 CA 0.0006 0.0011 -0.0033 1623 ARG 105 C 0.0006 0.0008 -0.0048 1624 ARG 105 O -0.0002 0.0005 -0.0052 1625 ARG 105 CB 0.0011 0.0014 -0.0025 1626 ARG 105 CG 0.0025 0.0018 -0.0027 1627 ARG 105 CD 0.0030 0.0021 -0.0018 1628 ARG 105 NE 0.0026 0.0023 -0.0004 1629 ARG 105 CZ 0.0024 0.0024 0.0005 1630 ARG 105 NH1 0.0025 0.0024 0.0001 1631 ARG 105 NH2 0.0020 0.0025 0.0017 1632 ARG 105 H -0.0015 0.0005 -0.0033 1633 ARG 105 HA 0.0011 0.0013 -0.0032 1634 ARG 105 HB3 0.0006 0.0012 -0.0026 1635 ARG 105 HB2 0.0009 0.0016 -0.0014 1636 ARG 105 HG3 0.0031 0.0020 -0.0026 1637 ARG 105 HG2 0.0027 0.0016 -0.0038 1638 ARG 105 HD3 0.0041 0.0024 -0.0019 1639 ARG 105 HD2 0.0027 0.0019 -0.0021 1640 ARG 105 HE 0.0025 0.0023 -0.0001 1641 ARG 105 HH12 0.0024 0.0024 0.0008 1642 ARG 105 HH11 0.0028 0.0023 -0.0008 1643 ARG 105 HH22 0.0018 0.0026 0.0024 1644 ARG 105 HH21 0.0019 0.0026 0.0020 1645 CYS 106 N 0.0016 0.0009 -0.0055 1646 CYS 106 CA 0.0018 0.0007 -0.0069 1647 CYS 106 C 0.0030 0.0010 -0.0072 1648 CYS 106 O 0.0039 0.0015 -0.0065 1649 CYS 106 CB 0.0018 0.0006 -0.0077 1650 CYS 106 SG 0.0003 0.0001 -0.0076 1651 CYS 106 H 0.0023 0.0012 -0.0051 1652 CYS 106 HA 0.0010 0.0004 -0.0072 1653 CYS 106 HB3 0.0021 0.0004 -0.0088 1654 CYS 106 HB2 0.0026 0.0009 -0.0074 1655 GLY 107 N 0.0035 -0.0008 -0.0037 1656 GLY 107 CA 0.0038 -0.0002 -0.0036 1657 GLY 107 C 0.0037 -0.0016 -0.0043 1658 GLY 107 O 0.0032 -0.0031 -0.0048 1659 GLY 107 H 0.0029 -0.0020 -0.0039 1660 GLY 107 HA3 0.0030 0.0003 -0.0026 1661 GLY 107 HA2 0.0048 0.0007 -0.0039 1662 CYS 108 N 0.0041 -0.0012 -0.0044 1663 CYS 108 CA 0.0041 -0.0024 -0.0052 1664 CYS 108 C 0.0027 -0.0029 -0.0043 1665 CYS 108 O 0.0024 -0.0019 -0.0034 1666 CYS 108 CB 0.0054 -0.0018 -0.0059 1667 CYS 108 SG 0.0071 -0.0015 -0.0072 1668 CYS 108 H 0.0044 -0.0000 -0.0040 1669 CYS 108 HA 0.0041 -0.0035 -0.0059 1670 CYS 108 HB3 0.0053 -0.0026 -0.0064 1671 CYS 108 HB2 0.0054 -0.0006 -0.0052 1672 SER 109 N 0.0013 -0.0032 -0.0008 1673 SER 109 CA 0.0004 -0.0036 0.0001 1674 SER 109 C 0.0004 -0.0046 0.0003 1675 SER 109 O 0.0010 -0.0054 -0.0001 1676 SER 109 CB 0.0002 -0.0040 0.0003 1677 SER 109 OG 0.0003 -0.0031 0.0001 1678 SER 109 OXT -0.0003 -0.0045 0.0009 1679 SER 109 H 0.0018 -0.0038 -0.0012 1680 SER 109 HA -0.0001 -0.0028 0.0004 1681 SER 109 HB3 -0.0004 -0.0042 0.0010 1682 SER 109 HB2 0.0007 -0.0048 0.0001 1683 SER 109 HG 0.0009 -0.0030 -0.0005 1684 ASN 1 N 0.0111 0.0091 -0.0015 1685 ASN 1 CA 0.0118 0.0105 -0.0017 1686 ASN 1 C 0.0106 0.0110 -0.0002 1687 ASN 1 O 0.0106 0.0128 0.0006 1688 ASN 1 CB 0.0128 0.0096 -0.0034 1689 ASN 1 CG 0.0136 0.0110 -0.0039 1690 ASN 1 OD1 0.0149 0.0123 -0.0049 1691 ASN 1 ND2 0.0131 0.0108 -0.0033 1692 ASN 1 H1 0.0118 0.0088 -0.0025 1693 ASN 1 H2 0.0104 0.0098 -0.0004 1694 ASN 1 HA 0.0124 0.0121 -0.0019 1695 ASN 1 HB3 0.0122 0.0080 -0.0033 1696 ASN 1 HB2 0.0136 0.0092 -0.0045 1697 ASN 1 HD22 0.0137 0.0118 -0.0036 1698 ASN 1 HD21 0.0121 0.0098 -0.0025 1699 LEU 2 N 0.0096 0.0092 0.0003 1700 LEU 2 CA 0.0084 0.0094 0.0019 1701 LEU 2 C 0.0071 0.0094 0.0035 1702 LEU 2 O 0.0060 0.0096 0.0050 1703 LEU 2 CB 0.0079 0.0075 0.0017 1704 LEU 2 CG 0.0089 0.0078 0.0007 1705 LEU 2 CD1 0.0088 0.0056 -0.0001 1706 LEU 2 CD2 0.0084 0.0093 0.0018 1707 LEU 2 H 0.0097 0.0077 -0.0004 1708 LEU 2 HA 0.0087 0.0109 0.0022 1709 LEU 2 HB3 0.0068 0.0073 0.0031 1710 LEU 2 HB2 0.0079 0.0060 0.0011 1711 LEU 2 HG 0.0100 0.0085 -0.0004 1712 LEU 2 HD11 0.0095 0.0059 -0.0008 1713 LEU 2 HD12 0.0091 0.0046 -0.0009 1714 LEU 2 HD13 0.0076 0.0049 0.0010 1715 LEU 2 HD21 0.0091 0.0095 0.0011 1716 LEU 2 HD22 0.0073 0.0086 0.0030 1717 LEU 2 HD23 0.0086 0.0108 0.0023 1718 GLY 3 N 0.0081 0.0104 0.0008 1719 GLY 3 CA 0.0071 0.0095 0.0028 1720 GLY 3 C 0.0075 0.0106 0.0026 1721 GLY 3 O 0.0085 0.0114 0.0006 1722 GLY 3 H 0.0086 0.0101 -0.0011 1723 GLY 3 HA3 0.0065 0.0073 0.0025 1724 GLY 3 HA2 0.0066 0.0101 0.0047 1725 LEU 4 N 0.0067 0.0106 0.0048 1726 LEU 4 CA 0.0070 0.0116 0.0050 1727 LEU 4 C 0.0063 0.0094 0.0049 1728 LEU 4 O 0.0052 0.0075 0.0062 1729 LEU 4 CB 0.0067 0.0135 0.0075 1730 LEU 4 CG 0.0071 0.0151 0.0078 1731 LEU 4 CD1 0.0084 0.0169 0.0057 1732 LEU 4 CD2 0.0067 0.0168 0.0105 1733 LEU 4 H 0.0059 0.0098 0.0063 1734 LEU 4 HA 0.0079 0.0128 0.0033 1735 LEU 4 HB3 0.0057 0.0124 0.0092 1736 LEU 4 HB2 0.0070 0.0148 0.0077 1737 LEU 4 HG 0.0067 0.0138 0.0077 1738 LEU 4 HD11 0.0087 0.0181 0.0059 1739 LEU 4 HD12 0.0087 0.0157 0.0038 1740 LEU 4 HD13 0.0088 0.0182 0.0057 1741 LEU 4 HD21 0.0070 0.0179 0.0107 1742 LEU 4 HD22 0.0070 0.0181 0.0106 1743 LEU 4 HD23 0.0057 0.0154 0.0120 1744 ASP 5 N 0.0020 0.0092 0.0033 1745 ASP 5 CA 0.0016 0.0066 0.0028 1746 ASP 5 C 0.0017 0.0066 0.0037 1747 ASP 5 O 0.0019 0.0086 0.0032 1748 ASP 5 CB 0.0015 0.0058 -0.0004 1749 ASP 5 CG 0.0014 0.0048 -0.0012 1750 ASP 5 OD1 0.0013 0.0041 0.0006 1751 ASP 5 OD2 0.0014 0.0047 -0.0038 1752 ASP 5 H 0.0022 0.0109 0.0021 1753 ASP 5 HA 0.0014 0.0049 0.0040 1754 ASP 5 HB3 0.0013 0.0042 -0.0008 1755 ASP 5 HB2 0.0017 0.0076 -0.0016 1756 CYS 6 N 0.0014 0.0043 0.0050 1757 CYS 6 CA 0.0014 0.0041 0.0059 1758 CYS 6 C 0.0010 0.0013 0.0051 1759 CYS 6 O 0.0007 -0.0007 0.0046 1760 CYS 6 CB 0.0014 0.0044 0.0091 1761 CYS 6 SG 0.0018 0.0076 0.0105 1762 CYS 6 H 0.0012 0.0028 0.0055 1763 CYS 6 HA 0.0015 0.0057 0.0049 1764 CYS 6 HB3 0.0014 0.0042 0.0097 1765 CYS 6 HB2 0.0012 0.0027 0.0102 1766 ASP 7 N -0.0047 -0.0016 0.0017 1767 ASP 7 CA -0.0046 -0.0116 -0.0005 1768 ASP 7 C -0.0010 -0.0166 0.0044 1769 ASP 7 O 0.0017 -0.0123 0.0099 1770 ASP 7 CB -0.0097 -0.0138 -0.0096 1771 ASP 7 CG -0.0120 -0.0102 -0.0126 1772 ASP 7 OD1 -0.0099 -0.0052 -0.0078 1773 ASP 7 OD2 -0.0161 -0.0122 -0.0197 1774 ASP 7 H -0.0053 0.0015 0.0014 1775 ASP 7 HA -0.0033 -0.0142 0.0011 1776 ASP 7 HB3 -0.0122 -0.0109 -0.0129 1777 ASP 7 HB2 -0.0095 -0.0214 -0.0110 1778 GLU 8 N -0.0008 -0.0257 0.0025 1779 GLU 8 CA 0.0024 -0.0312 0.0067 1780 GLU 8 C 0.0014 -0.0275 0.0058 1781 GLU 8 O 0.0047 -0.0283 0.0111 1782 GLU 8 CB 0.0019 -0.0415 0.0034 1783 GLU 8 CG -0.0034 -0.0429 -0.0058 1784 GLU 8 CD -0.0037 -0.0531 -0.0087 1785 GLU 8 OE1 0.0002 -0.0591 -0.0036 1786 GLU 8 OE2 -0.0079 -0.0552 -0.0161 1787 GLU 8 H -0.0031 -0.0289 -0.0020 1788 GLU 8 HA 0.0062 -0.0308 0.0131 1789 GLU 8 HB3 0.0040 -0.0448 0.0060 1790 GLU 8 HB2 0.0038 -0.0452 0.0056 1791 GLU 8 HG3 -0.0054 -0.0398 -0.0083 1792 GLU 8 HG2 -0.0052 -0.0392 -0.0080 1793 HIS 9 N -0.0049 -0.0252 -0.0022 1794 HIS 9 CA -0.0052 -0.0194 -0.0032 1795 HIS 9 C -0.0033 -0.0079 0.0006 1796 HIS 9 O -0.0049 -0.0006 -0.0033 1797 HIS 9 CB -0.0100 -0.0192 -0.0140 1798 HIS 9 CG -0.0124 -0.0300 -0.0188 1799 HIS 9 ND1 -0.0162 -0.0320 -0.0274 1800 HIS 9 CD2 -0.0114 -0.0393 -0.0163 1801 HIS 9 CE1 -0.0176 -0.0421 -0.0300 1802 HIS 9 NE2 -0.0147 -0.0468 -0.0234 1803 HIS 9 H -0.0074 -0.0251 -0.0080 1804 HIS 9 HA -0.0034 -0.0237 0.0011 1805 HIS 9 HB3 -0.0101 -0.0156 -0.0145 1806 HIS 9 HB2 -0.0117 -0.0137 -0.0182 1807 HIS 9 HD1 -0.0175 -0.0260 -0.0307 1808 HIS 9 HD2 -0.0086 -0.0398 -0.0098 1809 HIS 9 HE1 -0.0206 -0.0452 -0.0366 1810 SER 10 N 0.0001 -0.0063 0.0082 1811 SER 10 CA 0.0024 0.0043 0.0129 1812 SER 10 C 0.0071 0.0035 0.0236 1813 SER 10 O 0.0092 -0.0046 0.0286 1814 SER 10 CB 0.0023 0.0085 0.0124 1815 SER 10 OG -0.0021 0.0094 0.0025 1816 SER 10 H 0.0012 -0.0124 0.0110 1817 SER 10 HA 0.0008 0.0099 0.0090 1818 SER 10 HB3 0.0040 0.0163 0.0159 1819 SER 10 HB2 0.0040 0.0031 0.0166 1820 SER 10 HG -0.0036 0.0143 -0.0011 1821 SER 11 N 0.0050 0.0203 0.0326 1822 SER 11 CA 0.0039 0.0215 0.0377 1823 SER 11 C 0.0052 0.0218 0.0358 1824 SER 11 O 0.0064 0.0243 0.0389 1825 SER 11 CB 0.0065 0.0257 0.0421 1826 SER 11 OG 0.0114 0.0290 0.0394 1827 SER 11 H 0.0084 0.0225 0.0305 1828 SER 11 HA 0.0001 0.0190 0.0398 1829 SER 11 HB3 0.0052 0.0252 0.0439 1830 SER 11 HB2 0.0060 0.0268 0.0457 1831 SER 11 HG 0.0126 0.0294 0.0378 1832 GLU 12 N 0.0048 0.0193 0.0304 1833 GLU 12 CA 0.0061 0.0193 0.0276 1834 GLU 12 C 0.0025 0.0170 0.0299 1835 GLU 12 O -0.0015 0.0131 0.0294 1836 GLU 12 CB 0.0068 0.0172 0.0210 1837 GLU 12 CG 0.0080 0.0169 0.0178 1838 GLU 12 CD 0.0125 0.0213 0.0186 1839 GLU 12 OE1 0.0163 0.0238 0.0164 1840 GLU 12 OE2 0.0123 0.0223 0.0216 1841 GLU 12 H 0.0036 0.0172 0.0281 1842 GLU 12 HA 0.0094 0.0226 0.0284 1843 GLU 12 HB3 0.0037 0.0140 0.0202 1844 GLU 12 HB2 0.0096 0.0190 0.0194 1845 GLU 12 HG3 0.0052 0.0150 0.0193 1846 GLU 12 HG2 0.0084 0.0153 0.0131 1847 SER 13 N 0.0040 0.0206 0.0272 1848 SER 13 CA 0.0015 0.0192 0.0287 1849 SER 13 C 0.0014 0.0172 0.0263 1850 SER 13 O -0.0009 0.0152 0.0269 1851 SER 13 CB 0.0016 0.0216 0.0316 1852 SER 13 OG 0.0039 0.0230 0.0306 1853 SER 13 H 0.0059 0.0226 0.0272 1854 SER 13 HA -0.0004 0.0179 0.0296 1855 SER 13 HB3 0.0021 0.0232 0.0332 1856 SER 13 HB2 -0.0005 0.0206 0.0331 1857 SER 13 HG 0.0035 0.0216 0.0292 1858 ARG 14 N 0.0039 0.0177 0.0237 1859 ARG 14 CA 0.0040 0.0160 0.0213 1860 ARG 14 C 0.0026 0.0128 0.0191 1861 ARG 14 O 0.0023 0.0122 0.0188 1862 ARG 14 CB 0.0071 0.0174 0.0191 1863 ARG 14 CG 0.0089 0.0207 0.0209 1864 ARG 14 CD 0.0104 0.0212 0.0196 1865 ARG 14 NE 0.0124 0.0244 0.0210 1866 ARG 14 CZ 0.0116 0.0259 0.0239 1867 ARG 14 NH1 0.0088 0.0245 0.0259 1868 ARG 14 NH2 0.0136 0.0287 0.0250 1869 ARG 14 H 0.0057 0.0193 0.0232 1870 ARG 14 HA 0.0027 0.0158 0.0227 1871 ARG 14 HB3 0.0070 0.0162 0.0175 1872 ARG 14 HB2 0.0082 0.0173 0.0174 1873 ARG 14 HG3 0.0105 0.0221 0.0206 1874 ARG 14 HG2 0.0074 0.0212 0.0235 1875 ARG 14 HD3 0.0088 0.0200 0.0201 1876 ARG 14 HD2 0.0116 0.0204 0.0169 1877 ARG 14 HE 0.0145 0.0254 0.0195 1878 ARG 14 HH12 0.0082 0.0256 0.0281 1879 ARG 14 HH11 0.0073 0.0223 0.0251 1880 ARG 14 HH22 0.0130 0.0299 0.0272 1881 ARG 14 HH21 0.0157 0.0298 0.0235 1882 CYS 15 N 0.0021 0.0096 0.0162 1883 CYS 15 CA 0.0013 0.0075 0.0146 1884 CYS 15 C 0.0024 0.0074 0.0126 1885 CYS 15 O 0.0040 0.0085 0.0114 1886 CYS 15 CB 0.0011 0.0067 0.0138 1887 CYS 15 SG 0.0002 0.0042 0.0119 1888 CYS 15 H 0.0023 0.0101 0.0167 1889 CYS 15 HA -0.0000 0.0066 0.0156 1890 CYS 15 HB3 0.0024 0.0077 0.0131 1891 CYS 15 HB2 0.0002 0.0068 0.0153 1892 CYS 16 N 0.0015 0.0062 0.0123 1893 CYS 16 CA 0.0025 0.0062 0.0107 1894 CYS 16 C 0.0014 0.0042 0.0097 1895 CYS 16 O -0.0002 0.0029 0.0107 1896 CYS 16 CB 0.0031 0.0078 0.0120 1897 CYS 16 SG 0.0047 0.0086 0.0103 1898 CYS 16 H 0.0002 0.0051 0.0131 1899 CYS 16 HA 0.0037 0.0067 0.0094 1900 CYS 16 HB3 0.0019 0.0072 0.0132 1901 CYS 16 HB2 0.0035 0.0091 0.0131 1902 ARG 17 N 0.0025 0.0012 0.0099 1903 ARG 17 CA 0.0022 -0.0009 0.0089 1904 ARG 17 C 0.0020 -0.0021 0.0080 1905 ARG 17 O 0.0018 -0.0012 0.0067 1906 ARG 17 CB 0.0019 -0.0005 0.0071 1907 ARG 17 CG 0.0017 -0.0027 0.0063 1908 ARG 17 CD 0.0014 -0.0023 0.0045 1909 ARG 17 NE 0.0012 -0.0013 0.0025 1910 ARG 17 CZ 0.0009 -0.0017 0.0005 1911 ARG 17 NH1 0.0007 -0.0031 0.0002 1912 ARG 17 NH2 0.0007 -0.0007 -0.0011 1913 ARG 17 H 0.0024 0.0025 0.0090 1914 ARG 17 HA 0.0023 -0.0019 0.0102 1915 ARG 17 HB3 0.0018 0.0004 0.0058 1916 ARG 17 HB2 0.0021 0.0005 0.0077 1917 ARG 17 HG3 0.0018 -0.0036 0.0076 1918 ARG 17 HG2 0.0015 -0.0037 0.0057 1919 ARG 17 HD3 0.0016 -0.0014 0.0051 1920 ARG 17 HD2 0.0013 -0.0039 0.0040 1921 ARG 17 HE 0.0013 -0.0002 0.0028 1922 ARG 17 HH12 0.0005 -0.0034 -0.0014 1923 ARG 17 HH11 0.0009 -0.0039 0.0014 1924 ARG 17 HH22 0.0005 -0.0010 -0.0027 1925 ARG 17 HH21 0.0008 0.0004 -0.0009 1926 TYR 18 N 0.0019 -0.0042 0.0087 1927 TYR 18 CA 0.0017 -0.0056 0.0080 1928 TYR 18 C 0.0014 -0.0074 0.0066 1929 TYR 18 O 0.0014 -0.0081 0.0068 1930 TYR 18 CB 0.0020 -0.0065 0.0100 1931 TYR 18 CG 0.0023 -0.0048 0.0113 1932 TYR 18 CD1 0.0026 -0.0035 0.0128 1933 TYR 18 CD2 0.0022 -0.0045 0.0109 1934 TYR 18 CE1 0.0029 -0.0020 0.0140 1935 TYR 18 CE2 0.0025 -0.0030 0.0121 1936 TYR 18 CZ 0.0028 -0.0017 0.0136 1937 TYR 18 OH 0.0031 -0.0002 0.0147 1938 TYR 18 H 0.0021 -0.0048 0.0098 1939 TYR 18 HA 0.0017 -0.0046 0.0071 1940 TYR 18 HB3 0.0018 -0.0078 0.0095 1941 TYR 18 HB2 0.0021 -0.0073 0.0111 1942 TYR 18 HD1 0.0026 -0.0037 0.0131 1943 TYR 18 HD2 0.0020 -0.0055 0.0097 1944 TYR 18 HE1 0.0031 -0.0010 0.0152 1945 TYR 18 HE2 0.0025 -0.0028 0.0118 1946 TYR 18 HH 0.0033 0.0005 0.0157 1947 PRO 19 N -0.0001 -0.0096 0.0060 1948 PRO 19 CA -0.0001 -0.0103 0.0055 1949 PRO 19 C 0.0006 -0.0112 0.0060 1950 PRO 19 O 0.0011 -0.0116 0.0064 1951 PRO 19 CB -0.0007 -0.0108 0.0045 1952 PRO 19 CG -0.0006 -0.0109 0.0045 1953 PRO 19 CD -0.0004 -0.0099 0.0053 1954 PRO 19 HA -0.0004 -0.0097 0.0055 1955 PRO 19 HB3 -0.0012 -0.0102 0.0040 1956 PRO 19 HB2 -0.0005 -0.0116 0.0042 1957 PRO 19 HG3 -0.0011 -0.0108 0.0039 1958 PRO 19 HG2 -0.0001 -0.0116 0.0048 1959 PRO 19 HD2 -0.0000 -0.0101 0.0058 1960 PRO 19 HD3 -0.0009 -0.0092 0.0050 1961 LEU 20 N 0.0007 -0.0115 0.0061 1962 LEU 20 CA 0.0014 -0.0124 0.0065 1963 LEU 20 C 0.0013 -0.0128 0.0060 1964 LEU 20 O 0.0012 -0.0122 0.0062 1965 LEU 20 CB 0.0021 -0.0121 0.0076 1966 LEU 20 CG 0.0028 -0.0130 0.0080 1967 LEU 20 CD1 0.0031 -0.0140 0.0078 1968 LEU 20 CD2 0.0033 -0.0126 0.0091 1969 LEU 20 H 0.0004 -0.0110 0.0058 1970 LEU 20 HA 0.0015 -0.0131 0.0062 1971 LEU 20 HB3 0.0019 -0.0113 0.0078 1972 LEU 20 HB2 0.0022 -0.0119 0.0079 1973 LEU 20 HG 0.0026 -0.0132 0.0077 1974 LEU 20 HD11 0.0035 -0.0146 0.0082 1975 LEU 20 HD12 0.0026 -0.0143 0.0071 1976 LEU 20 HD13 0.0032 -0.0138 0.0082 1977 LEU 20 HD21 0.0038 -0.0132 0.0094 1978 LEU 20 HD22 0.0035 -0.0123 0.0095 1979 LEU 20 HD23 0.0031 -0.0119 0.0092 1980 THR 21 N 0.0019 -0.0125 0.0075 1981 THR 21 CA 0.0019 -0.0123 0.0077 1982 THR 21 C 0.0025 -0.0121 0.0077 1983 THR 21 O 0.0028 -0.0123 0.0074 1984 THR 21 CB 0.0018 -0.0125 0.0074 1985 THR 21 OG1 0.0013 -0.0127 0.0074 1986 THR 21 CG2 0.0019 -0.0123 0.0077 1987 THR 21 H 0.0019 -0.0128 0.0072 1988 THR 21 HA 0.0017 -0.0121 0.0079 1989 THR 21 HB 0.0020 -0.0128 0.0072 1990 THR 21 HG1 0.0012 -0.0128 0.0073 1991 THR 21 HG21 0.0018 -0.0125 0.0075 1992 THR 21 HG22 0.0023 -0.0122 0.0077 1993 THR 21 HG23 0.0017 -0.0121 0.0079 1994 VAL 22 N 0.0026 -0.0118 0.0080 1995 VAL 22 CA 0.0031 -0.0116 0.0081 1996 VAL 22 C 0.0032 -0.0115 0.0082 1997 VAL 22 O 0.0029 -0.0113 0.0084 1998 VAL 22 CB 0.0032 -0.0112 0.0085 1999 VAL 22 CG1 0.0037 -0.0110 0.0086 2000 VAL 22 CG2 0.0032 -0.0113 0.0084 2001 VAL 22 H 0.0023 -0.0116 0.0083 2002 VAL 22 HA 0.0034 -0.0118 0.0079 2003 VAL 22 HB 0.0029 -0.0111 0.0087 2004 VAL 22 HG11 0.0038 -0.0107 0.0088 2005 VAL 22 HG12 0.0037 -0.0109 0.0086 2006 VAL 22 HG13 0.0040 -0.0111 0.0084 2007 VAL 22 HG21 0.0033 -0.0110 0.0086 2008 VAL 22 HG22 0.0036 -0.0114 0.0081 2009 VAL 22 HG23 0.0029 -0.0114 0.0083 2010 ASP 23 N 0.0045 -0.0120 0.0086 2011 ASP 23 CA 0.0045 -0.0119 0.0087 2012 ASP 23 C 0.0047 -0.0116 0.0086 2013 ASP 23 O 0.0049 -0.0116 0.0085 2014 ASP 23 CB 0.0045 -0.0121 0.0086 2015 ASP 23 CG 0.0044 -0.0119 0.0087 2016 ASP 23 OD1 0.0042 -0.0120 0.0088 2017 ASP 23 OD2 0.0046 -0.0117 0.0087 2018 ASP 23 H 0.0047 -0.0121 0.0084 2019 ASP 23 HA 0.0043 -0.0118 0.0088 2020 ASP 23 HB3 0.0047 -0.0121 0.0084 2021 ASP 23 HB2 0.0043 -0.0123 0.0086 2022 PHE 24 N 0.0046 -0.0113 0.0088 2023 PHE 24 CA 0.0048 -0.0110 0.0088 2024 PHE 24 C 0.0049 -0.0109 0.0087 2025 PHE 24 O 0.0052 -0.0108 0.0086 2026 PHE 24 CB 0.0047 -0.0107 0.0090 2027 PHE 24 CG 0.0046 -0.0108 0.0091 2028 PHE 24 CD1 0.0048 -0.0108 0.0089 2029 PHE 24 CD2 0.0043 -0.0108 0.0092 2030 PHE 24 CE1 0.0047 -0.0108 0.0090 2031 PHE 24 CE2 0.0042 -0.0108 0.0093 2032 PHE 24 CZ 0.0044 -0.0108 0.0092 2033 PHE 24 H 0.0044 -0.0113 0.0089 2034 PHE 24 HA 0.0050 -0.0110 0.0087 2035 PHE 24 HB3 0.0048 -0.0105 0.0090 2036 PHE 24 HB2 0.0045 -0.0107 0.0091 2037 PHE 24 HD1 0.0050 -0.0107 0.0088 2038 PHE 24 HD2 0.0041 -0.0108 0.0094 2039 PHE 24 HE1 0.0048 -0.0108 0.0089 2040 PHE 24 HE2 0.0040 -0.0108 0.0094 2041 PHE 24 HZ 0.0043 -0.0108 0.0092 2042 GLU 25 N 0.0048 -0.0114 0.0094 2043 GLU 25 CA 0.0050 -0.0111 0.0093 2044 GLU 25 C 0.0051 -0.0112 0.0089 2045 GLU 25 O 0.0053 -0.0110 0.0087 2046 GLU 25 CB 0.0050 -0.0111 0.0095 2047 GLU 25 CG 0.0048 -0.0112 0.0098 2048 GLU 25 CD 0.0047 -0.0112 0.0100 2049 GLU 25 OE1 0.0048 -0.0109 0.0101 2050 GLU 25 OE2 0.0045 -0.0114 0.0101 2051 GLU 25 H 0.0047 -0.0115 0.0095 2052 GLU 25 HA 0.0051 -0.0109 0.0093 2053 GLU 25 HB3 0.0051 -0.0109 0.0095 2054 GLU 25 HB2 0.0049 -0.0113 0.0093 2055 GLU 25 HG3 0.0046 -0.0114 0.0098 2056 GLU 25 HG2 0.0048 -0.0110 0.0100 2057 ALA 26 N 0.0050 -0.0115 0.0087 2058 ALA 26 CA 0.0051 -0.0116 0.0084 2059 ALA 26 C 0.0052 -0.0116 0.0081 2060 ALA 26 O 0.0053 -0.0116 0.0078 2061 ALA 26 CB 0.0049 -0.0120 0.0083 2062 ALA 26 H 0.0048 -0.0117 0.0089 2063 ALA 26 HA 0.0052 -0.0115 0.0083 2064 ALA 26 HB1 0.0049 -0.0121 0.0080 2065 ALA 26 HB2 0.0048 -0.0120 0.0084 2066 ALA 26 HB3 0.0047 -0.0121 0.0084 2067 PHE 27 N 0.0047 -0.0114 0.0080 2068 PHE 27 CA 0.0051 -0.0112 0.0082 2069 PHE 27 C 0.0055 -0.0110 0.0083 2070 PHE 27 O 0.0059 -0.0109 0.0084 2071 PHE 27 CB 0.0048 -0.0109 0.0085 2072 PHE 27 CG 0.0044 -0.0111 0.0084 2073 PHE 27 CD1 0.0043 -0.0114 0.0080 2074 PHE 27 CD2 0.0042 -0.0108 0.0087 2075 PHE 27 CE1 0.0039 -0.0116 0.0079 2076 PHE 27 CE2 0.0038 -0.0109 0.0086 2077 PHE 27 CZ 0.0037 -0.0113 0.0082 2078 PHE 27 H 0.0044 -0.0113 0.0082 2079 PHE 27 HA 0.0052 -0.0114 0.0080 2080 PHE 27 HB3 0.0051 -0.0107 0.0087 2081 PHE 27 HB2 0.0046 -0.0107 0.0087 2082 PHE 27 HD1 0.0045 -0.0116 0.0078 2083 PHE 27 HD2 0.0042 -0.0105 0.0090 2084 PHE 27 HE1 0.0038 -0.0118 0.0076 2085 PHE 27 HE2 0.0036 -0.0107 0.0088 2086 PHE 27 HZ 0.0034 -0.0114 0.0081 2087 GLY 28 N 0.0054 -0.0110 0.0083 2088 GLY 28 CA 0.0058 -0.0109 0.0085 2089 GLY 28 C 0.0057 -0.0105 0.0089 2090 GLY 28 O 0.0060 -0.0103 0.0090 2091 GLY 28 H 0.0050 -0.0111 0.0083 2092 GLY 28 HA3 0.0062 -0.0109 0.0084 2093 GLY 28 HA2 0.0057 -0.0110 0.0083 2094 TRP 29 N 0.0050 -0.0096 0.0086 2095 TRP 29 CA 0.0050 -0.0093 0.0087 2096 TRP 29 C 0.0048 -0.0091 0.0090 2097 TRP 29 O 0.0045 -0.0093 0.0091 2098 TRP 29 CB 0.0049 -0.0094 0.0087 2099 TRP 29 CG 0.0051 -0.0096 0.0085 2100 TRP 29 CD1 0.0053 -0.0096 0.0082 2101 TRP 29 CD2 0.0051 -0.0098 0.0084 2102 TRP 29 NE1 0.0054 -0.0098 0.0081 2103 TRP 29 CE2 0.0053 -0.0099 0.0082 2104 TRP 29 CE3 0.0049 -0.0098 0.0086 2105 TRP 29 CZ2 0.0053 -0.0101 0.0081 2106 TRP 29 CZ3 0.0049 -0.0100 0.0085 2107 TRP 29 CH2 0.0051 -0.0101 0.0082 2108 TRP 29 H 0.0049 -0.0098 0.0085 2109 TRP 29 HA 0.0051 -0.0091 0.0086 2110 TRP 29 HB3 0.0049 -0.0092 0.0088 2111 TRP 29 HB2 0.0047 -0.0096 0.0088 2112 TRP 29 HD1 0.0054 -0.0095 0.0082 2113 TRP 29 HE1 0.0056 -0.0098 0.0079 2114 TRP 29 HE3 0.0047 -0.0097 0.0088 2115 TRP 29 HZ2 0.0055 -0.0101 0.0079 2116 TRP 29 HZ3 0.0048 -0.0100 0.0086 2117 TRP 29 HH2 0.0052 -0.0102 0.0082 2118 ASP 30 N 0.0048 -0.0089 0.0090 2119 ASP 30 CA 0.0046 -0.0087 0.0092 2120 ASP 30 C 0.0045 -0.0085 0.0094 2121 ASP 30 O 0.0043 -0.0084 0.0096 2122 ASP 30 CB 0.0047 -0.0085 0.0092 2123 ASP 30 CG 0.0049 -0.0083 0.0091 2124 ASP 30 OD1 0.0049 -0.0080 0.0092 2125 ASP 30 OD2 0.0051 -0.0083 0.0089 2126 ASP 30 H 0.0050 -0.0088 0.0088 2127 ASP 30 HA 0.0045 -0.0089 0.0093 2128 ASP 30 HB3 0.0048 -0.0087 0.0091 2129 ASP 30 HB2 0.0046 -0.0085 0.0094 2130 TRP 31 N 0.0045 -0.0078 0.0089 2131 TRP 31 CA 0.0045 -0.0076 0.0087 2132 TRP 31 C 0.0046 -0.0082 0.0090 2133 TRP 31 O 0.0046 -0.0080 0.0090 2134 TRP 31 CB 0.0048 -0.0074 0.0078 2135 TRP 31 CG 0.0052 -0.0080 0.0075 2136 TRP 31 CD1 0.0053 -0.0081 0.0072 2137 TRP 31 CD2 0.0056 -0.0086 0.0072 2138 TRP 31 NE1 0.0058 -0.0087 0.0069 2139 TRP 31 CE2 0.0059 -0.0090 0.0069 2140 TRP 31 CE3 0.0057 -0.0088 0.0073 2141 TRP 31 CZ2 0.0064 -0.0096 0.0066 2142 TRP 31 CZ3 0.0061 -0.0094 0.0071 2143 TRP 31 CH2 0.0064 -0.0098 0.0067 2144 TRP 31 H 0.0048 -0.0080 0.0085 2145 TRP 31 HA 0.0041 -0.0071 0.0089 2146 TRP 31 HB3 0.0046 -0.0069 0.0076 2147 TRP 31 HB2 0.0048 -0.0073 0.0077 2148 TRP 31 HD1 0.0051 -0.0077 0.0073 2149 TRP 31 HE1 0.0059 -0.0088 0.0067 2150 TRP 31 HE3 0.0054 -0.0085 0.0076 2151 TRP 31 HZ2 0.0066 -0.0099 0.0064 2152 TRP 31 HZ3 0.0062 -0.0096 0.0071 2153 TRP 31 HH2 0.0068 -0.0103 0.0065 2154 ILE 32 N 0.0048 -0.0088 0.0093 2155 ILE 32 CA 0.0049 -0.0093 0.0098 2156 ILE 32 C 0.0045 -0.0092 0.0106 2157 ILE 32 O 0.0044 -0.0092 0.0109 2158 ILE 32 CB 0.0053 -0.0101 0.0097 2159 ILE 32 CG1 0.0057 -0.0102 0.0090 2160 ILE 32 CG2 0.0053 -0.0106 0.0104 2161 ILE 32 CD1 0.0061 -0.0108 0.0087 2162 ILE 32 H 0.0049 -0.0089 0.0093 2163 ILE 32 HA 0.0049 -0.0092 0.0096 2164 ILE 32 HB 0.0053 -0.0101 0.0098 2165 ILE 32 HG13 0.0056 -0.0097 0.0086 2166 ILE 32 HG12 0.0058 -0.0103 0.0090 2167 ILE 32 HG21 0.0057 -0.0112 0.0103 2168 ILE 32 HG22 0.0051 -0.0105 0.0109 2169 ILE 32 HG23 0.0053 -0.0106 0.0103 2170 ILE 32 HD11 0.0064 -0.0109 0.0082 2171 ILE 32 HD12 0.0061 -0.0107 0.0087 2172 ILE 32 HD13 0.0062 -0.0113 0.0091 2173 ILE 33 N 0.0042 -0.0083 0.0121 2174 ILE 33 CA 0.0038 -0.0080 0.0134 2175 ILE 33 C 0.0042 -0.0091 0.0143 2176 ILE 33 O 0.0040 -0.0091 0.0152 2177 ILE 33 CB 0.0035 -0.0074 0.0137 2178 ILE 33 CG1 0.0031 -0.0063 0.0128 2179 ILE 33 CG2 0.0031 -0.0072 0.0150 2180 ILE 33 CD1 0.0029 -0.0058 0.0127 2181 ILE 33 H 0.0044 -0.0085 0.0117 2182 ILE 33 HA 0.0035 -0.0075 0.0136 2183 ILE 33 HB 0.0038 -0.0080 0.0134 2184 ILE 33 HG13 0.0033 -0.0065 0.0119 2185 ILE 33 HG12 0.0027 -0.0057 0.0132 2186 ILE 33 HG21 0.0028 -0.0067 0.0152 2187 ILE 33 HG22 0.0034 -0.0080 0.0156 2188 ILE 33 HG23 0.0028 -0.0066 0.0153 2189 ILE 33 HD11 0.0026 -0.0050 0.0120 2190 ILE 33 HD12 0.0033 -0.0064 0.0123 2191 ILE 33 HD13 0.0026 -0.0056 0.0136 2192 ALA 34 N 0.0047 -0.0100 0.0141 2193 ALA 34 CA 0.0050 -0.0111 0.0148 2194 ALA 34 C 0.0057 -0.0120 0.0141 2195 ALA 34 O 0.0058 -0.0119 0.0132 2196 ALA 34 CB 0.0048 -0.0110 0.0160 2197 ALA 34 H 0.0048 -0.0099 0.0133 2198 ALA 34 HA 0.0051 -0.0112 0.0152 2199 ALA 34 HB1 0.0051 -0.0118 0.0165 2200 ALA 34 HB2 0.0043 -0.0103 0.0165 2201 ALA 34 HB3 0.0048 -0.0108 0.0156 2202 PRO 35 N 0.0047 -0.0112 0.0114 2203 PRO 35 CA 0.0047 -0.0114 0.0116 2204 PRO 35 C 0.0048 -0.0113 0.0114 2205 PRO 35 O 0.0049 -0.0112 0.0110 2206 PRO 35 CB 0.0047 -0.0119 0.0117 2207 PRO 35 CG 0.0049 -0.0119 0.0113 2208 PRO 35 CD 0.0049 -0.0115 0.0112 2209 PRO 35 HA 0.0045 -0.0112 0.0119 2210 PRO 35 HB3 0.0046 -0.0120 0.0120 2211 PRO 35 HB2 0.0048 -0.0121 0.0116 2212 PRO 35 HG3 0.0049 -0.0122 0.0114 2213 PRO 35 HG2 0.0050 -0.0120 0.0110 2214 PRO 35 HD2 0.0050 -0.0114 0.0109 2215 PRO 35 HD3 0.0048 -0.0115 0.0114 2216 LYS 36 N 0.0047 -0.0114 0.0116 2217 LYS 36 CA 0.0048 -0.0113 0.0113 2218 LYS 36 C 0.0050 -0.0117 0.0111 2219 LYS 36 O 0.0051 -0.0117 0.0108 2220 LYS 36 CB 0.0046 -0.0112 0.0117 2221 LYS 36 CG 0.0045 -0.0108 0.0119 2222 LYS 36 CD 0.0045 -0.0104 0.0116 2223 LYS 36 CE 0.0043 -0.0099 0.0119 2224 LYS 36 NZ 0.0044 -0.0095 0.0116 2225 LYS 36 H 0.0046 -0.0114 0.0119 2226 LYS 36 HA 0.0048 -0.0110 0.0111 2227 LYS 36 HB3 0.0047 -0.0112 0.0115 2228 LYS 36 HB2 0.0046 -0.0115 0.0119 2229 LYS 36 HG3 0.0043 -0.0108 0.0122 2230 LYS 36 HG2 0.0044 -0.0108 0.0121 2231 LYS 36 HD3 0.0046 -0.0104 0.0114 2232 LYS 36 HD2 0.0046 -0.0104 0.0115 2233 LYS 36 HE3 0.0042 -0.0099 0.0120 2234 LYS 36 HE2 0.0042 -0.0100 0.0121 2235 LYS 36 HZ1 0.0045 -0.0096 0.0114 2236 LYS 36 HZ2 0.0043 -0.0093 0.0117 2237 LYS 36 HZ3 0.0045 -0.0095 0.0114 2238 ARG 37 N 0.0029 -0.0111 0.0087 2239 ARG 37 CA 0.0030 -0.0113 0.0087 2240 ARG 37 C 0.0029 -0.0111 0.0087 2241 ARG 37 O 0.0026 -0.0109 0.0088 2242 ARG 37 CB 0.0029 -0.0117 0.0087 2243 ARG 37 CG 0.0031 -0.0119 0.0087 2244 ARG 37 CD 0.0030 -0.0124 0.0086 2245 ARG 37 NE 0.0026 -0.0125 0.0086 2246 ARG 37 CZ 0.0024 -0.0125 0.0086 2247 ARG 37 NH1 0.0025 -0.0126 0.0086 2248 ARG 37 NH2 0.0020 -0.0126 0.0087 2249 ARG 37 H 0.0026 -0.0109 0.0088 2250 ARG 37 HA 0.0033 -0.0112 0.0087 2251 ARG 37 HB3 0.0030 -0.0118 0.0087 2252 ARG 37 HB2 0.0026 -0.0117 0.0087 2253 ARG 37 HG3 0.0029 -0.0119 0.0087 2254 ARG 37 HG2 0.0034 -0.0119 0.0086 2255 ARG 37 HD3 0.0031 -0.0125 0.0086 2256 ARG 37 HD2 0.0031 -0.0124 0.0086 2257 ARG 37 HE 0.0025 -0.0124 0.0087 2258 ARG 37 HH12 0.0024 -0.0126 0.0086 2259 ARG 37 HH11 0.0028 -0.0125 0.0086 2260 ARG 37 HH22 0.0019 -0.0127 0.0087 2261 ARG 37 HH21 0.0019 -0.0126 0.0087 2262 TYR 38 N 0.0031 -0.0111 0.0087 2263 TYR 38 CA 0.0030 -0.0110 0.0087 2264 TYR 38 C 0.0032 -0.0112 0.0087 2265 TYR 38 O 0.0035 -0.0113 0.0087 2266 TYR 38 CB 0.0030 -0.0106 0.0088 2267 TYR 38 CG 0.0034 -0.0104 0.0088 2268 TYR 38 CD1 0.0037 -0.0104 0.0087 2269 TYR 38 CD2 0.0035 -0.0103 0.0088 2270 TYR 38 CE1 0.0041 -0.0103 0.0087 2271 TYR 38 CE2 0.0039 -0.0102 0.0087 2272 TYR 38 CZ 0.0042 -0.0102 0.0087 2273 TYR 38 OH 0.0045 -0.0100 0.0087 2274 TYR 38 H 0.0033 -0.0113 0.0087 2275 TYR 38 HA 0.0027 -0.0111 0.0088 2276 TYR 38 HB3 0.0029 -0.0104 0.0088 2277 TYR 38 HB2 0.0028 -0.0104 0.0088 2278 TYR 38 HD1 0.0037 -0.0105 0.0087 2279 TYR 38 HD2 0.0033 -0.0103 0.0088 2280 TYR 38 HE1 0.0043 -0.0103 0.0087 2281 TYR 38 HE2 0.0039 -0.0101 0.0088 2282 TYR 38 HH 0.0045 -0.0099 0.0087 2283 LYS 39 N 0.0013 -0.0104 0.0068 2284 LYS 39 CA 0.0014 -0.0104 0.0068 2285 LYS 39 C 0.0017 -0.0101 0.0070 2286 LYS 39 O 0.0015 -0.0098 0.0071 2287 LYS 39 CB 0.0011 -0.0104 0.0067 2288 LYS 39 CG 0.0009 -0.0107 0.0064 2289 LYS 39 CD 0.0005 -0.0107 0.0063 2290 LYS 39 CE 0.0002 -0.0106 0.0062 2291 LYS 39 NZ 0.0001 -0.0103 0.0063 2292 LYS 39 H 0.0011 -0.0103 0.0067 2293 LYS 39 HA 0.0016 -0.0107 0.0068 2294 LYS 39 HB3 0.0011 -0.0103 0.0067 2295 LYS 39 HB2 0.0009 -0.0101 0.0067 2296 LYS 39 HG3 0.0008 -0.0108 0.0064 2297 LYS 39 HG2 0.0011 -0.0110 0.0064 2298 LYS 39 HD3 0.0005 -0.0109 0.0062 2299 LYS 39 HD2 0.0005 -0.0105 0.0064 2300 LYS 39 HE3 0.0002 -0.0109 0.0061 2301 LYS 39 HE2 -0.0001 -0.0107 0.0061 2302 LYS 39 HZ1 0.0004 -0.0102 0.0064 2303 LYS 39 HZ2 0.0000 -0.0101 0.0064 2304 LYS 39 HZ3 -0.0001 -0.0103 0.0062 2305 ALA 40 N 0.0020 -0.0102 0.0071 2306 ALA 40 CA 0.0023 -0.0099 0.0073 2307 ALA 40 C 0.0023 -0.0098 0.0074 2308 ALA 40 O 0.0023 -0.0095 0.0075 2309 ALA 40 CB 0.0027 -0.0100 0.0075 2310 ALA 40 H 0.0021 -0.0105 0.0071 2311 ALA 40 HA 0.0022 -0.0096 0.0074 2312 ALA 40 HB1 0.0028 -0.0098 0.0076 2313 ALA 40 HB2 0.0027 -0.0101 0.0074 2314 ALA 40 HB3 0.0028 -0.0103 0.0074 2315 ASN 41 N 0.0010 -0.0100 0.0060 2316 ASN 41 CA 0.0014 -0.0093 0.0066 2317 ASN 41 C 0.0020 -0.0092 0.0077 2318 ASN 41 O 0.0021 -0.0096 0.0080 2319 ASN 41 CB 0.0012 -0.0081 0.0060 2320 ASN 41 CG 0.0006 -0.0082 0.0049 2321 ASN 41 OD1 0.0004 -0.0086 0.0046 2322 ASN 41 ND2 0.0003 -0.0077 0.0043 2323 ASN 41 H 0.0008 -0.0107 0.0057 2324 ASN 41 HA 0.0013 -0.0097 0.0066 2325 ASN 41 HB3 0.0014 -0.0076 0.0064 2326 ASN 41 HB2 0.0013 -0.0076 0.0062 2327 ASN 41 HD22 -0.0001 -0.0077 0.0036 2328 ASN 41 HD21 0.0005 -0.0074 0.0046 2329 TYR 42 N 0.0023 -0.0086 0.0082 2330 TYR 42 CA 0.0029 -0.0084 0.0093 2331 TYR 42 C 0.0032 -0.0075 0.0097 2332 TYR 42 O 0.0029 -0.0072 0.0092 2333 TYR 42 CB 0.0032 -0.0095 0.0100 2334 TYR 42 CG 0.0032 -0.0099 0.0102 2335 TYR 42 CD1 0.0028 -0.0105 0.0094 2336 TYR 42 CD2 0.0037 -0.0098 0.0111 2337 TYR 42 CE1 0.0028 -0.0109 0.0096 2338 TYR 42 CE2 0.0038 -0.0101 0.0113 2339 TYR 42 CZ 0.0033 -0.0107 0.0105 2340 TYR 42 OH 0.0034 -0.0111 0.0107 2341 TYR 42 H 0.0022 -0.0084 0.0080 2342 TYR 42 HA 0.0029 -0.0081 0.0093 2343 TYR 42 HB3 0.0029 -0.0102 0.0097 2344 TYR 42 HB2 0.0035 -0.0093 0.0107 2345 TYR 42 HD1 0.0024 -0.0106 0.0087 2346 TYR 42 HD2 0.0041 -0.0093 0.0117 2347 TYR 42 HE1 0.0025 -0.0113 0.0090 2348 TYR 42 HE2 0.0042 -0.0100 0.0120 2349 TYR 42 HH 0.0038 -0.0111 0.0114 2350 CYS 43 N 0.0002 -0.0049 0.0097 2351 CYS 43 CA 0.0008 -0.0028 0.0107 2352 CYS 43 C 0.0012 -0.0032 0.0127 2353 CYS 43 O 0.0013 -0.0048 0.0141 2354 CYS 43 CB 0.0011 -0.0016 0.0113 2355 CYS 43 SG 0.0007 -0.0010 0.0090 2356 CYS 43 H 0.0003 -0.0058 0.0104 2357 CYS 43 HA 0.0007 -0.0018 0.0095 2358 CYS 43 HB3 0.0016 0.0000 0.0120 2359 CYS 43 HB2 0.0013 -0.0025 0.0126 2360 SER 44 N 0.0015 -0.0018 0.0130 2361 SER 44 CA 0.0019 -0.0020 0.0150 2362 SER 44 C 0.0023 0.0003 0.0153 2363 SER 44 O 0.0021 0.0014 0.0137 2364 SER 44 CB 0.0016 -0.0038 0.0148 2365 SER 44 OG 0.0020 -0.0039 0.0167 2366 SER 44 H 0.0014 -0.0006 0.0119 2367 SER 44 HA 0.0022 -0.0023 0.0164 2368 SER 44 HB3 0.0013 -0.0036 0.0133 2369 SER 44 HB2 0.0013 -0.0054 0.0147 2370 SER 44 HG 0.0020 -0.0051 0.0177 2371 GLY 45 N -0.0037 0.0046 0.0183 2372 GLY 45 CA -0.0024 0.0082 0.0195 2373 GLY 45 C -0.0044 0.0081 0.0211 2374 GLY 45 O -0.0066 0.0050 0.0211 2375 GLY 45 H -0.0063 0.0030 0.0197 2376 GLY 45 HA3 0.0003 0.0089 0.0174 2377 GLY 45 HA2 -0.0025 0.0107 0.0211 2378 GLN 46 N -0.0036 0.0115 0.0225 2379 GLN 46 CA -0.0053 0.0119 0.0243 2380 GLN 46 C -0.0037 0.0106 0.0221 2381 GLN 46 O -0.0006 0.0110 0.0196 2382 GLN 46 CB -0.0050 0.0163 0.0267 2383 GLN 46 CG -0.0064 0.0180 0.0290 2384 GLN 46 CD -0.0101 0.0158 0.0310 2385 GLN 46 OE1 -0.0109 0.0142 0.0307 2386 GLN 46 NE2 -0.0124 0.0155 0.0329 2387 GLN 46 H -0.0017 0.0139 0.0223 2388 GLN 46 HA -0.0080 0.0101 0.0256 2389 GLN 46 HB3 -0.0063 0.0165 0.0281 2390 GLN 46 HB2 -0.0023 0.0181 0.0254 2391 GLN 46 HG3 -0.0060 0.0211 0.0306 2392 GLN 46 HG2 -0.0048 0.0181 0.0277 2393 GLN 46 HE22 -0.0149 0.0140 0.0342 2394 GLN 46 HE21 -0.0117 0.0168 0.0331 2395 CYS 47 N -0.0063 0.0115 0.0182 2396 CYS 47 CA -0.0045 0.0104 0.0157 2397 CYS 47 C -0.0044 0.0117 0.0171 2398 CYS 47 O -0.0067 0.0103 0.0171 2399 CYS 47 CB -0.0063 0.0071 0.0132 2400 CYS 47 SG -0.0057 0.0054 0.0108 2401 CYS 47 H -0.0089 0.0113 0.0197 2402 CYS 47 HA -0.0017 0.0111 0.0146 2403 CYS 47 HB3 -0.0053 0.0064 0.0116 2404 CYS 47 HB2 -0.0092 0.0064 0.0143 2405 GLU 48 N -0.0017 0.0142 0.0182 2406 GLU 48 CA -0.0013 0.0156 0.0196 2407 GLU 48 C 0.0021 0.0158 0.0176 2408 GLU 48 O 0.0046 0.0157 0.0157 2409 GLU 48 CB -0.0013 0.0186 0.0230 2410 GLU 48 CG -0.0049 0.0184 0.0252 2411 GLU 48 CD -0.0046 0.0210 0.0279 2412 GLU 48 OE1 -0.0016 0.0231 0.0285 2413 GLU 48 OE2 -0.0073 0.0208 0.0296 2414 GLU 48 H 0.0002 0.0152 0.0180 2415 GLU 48 HA -0.0037 0.0144 0.0198 2416 GLU 48 HB3 -0.0007 0.0198 0.0240 2417 GLU 48 HB2 0.0009 0.0198 0.0229 2418 GLU 48 HG3 -0.0062 0.0164 0.0238 2419 GLU 48 HG2 -0.0068 0.0181 0.0262 2420 TYR 49 N -0.0023 0.0157 0.0175 2421 TYR 49 CA 0.0006 0.0157 0.0157 2422 TYR 49 C 0.0017 0.0134 0.0124 2423 TYR 49 O -0.0006 0.0111 0.0110 2424 TYR 49 CB 0.0038 0.0183 0.0170 2425 TYR 49 CG 0.0028 0.0206 0.0203 2426 TYR 49 CD1 0.0025 0.0212 0.0212 2427 TYR 49 CD2 0.0023 0.0222 0.0226 2428 TYR 49 CE1 0.0016 0.0233 0.0242 2429 TYR 49 CE2 0.0014 0.0243 0.0256 2430 TYR 49 CZ 0.0011 0.0248 0.0264 2431 TYR 49 OH 0.0002 0.0269 0.0294 2432 TYR 49 H -0.0044 0.0158 0.0189 2433 TYR 49 HA -0.0003 0.0154 0.0160 2434 TYR 49 HB3 0.0059 0.0183 0.0157 2435 TYR 49 HB2 0.0048 0.0186 0.0167 2436 TYR 49 HD1 0.0029 0.0200 0.0195 2437 TYR 49 HD2 0.0025 0.0219 0.0220 2438 TYR 49 HE1 0.0014 0.0237 0.0248 2439 TYR 49 HE2 0.0009 0.0256 0.0273 2440 TYR 49 HH 0.0001 0.0270 0.0295 2441 MET 50 N 0.0051 0.0139 0.0110 2442 MET 50 CA 0.0063 0.0118 0.0078 2443 MET 50 C 0.0074 0.0118 0.0071 2444 MET 50 O 0.0089 0.0103 0.0045 2445 MET 50 CB 0.0094 0.0120 0.0062 2446 MET 50 CG 0.0086 0.0122 0.0069 2447 MET 50 SD 0.0123 0.0125 0.0051 2448 MET 50 CE 0.0123 0.0093 0.0012 2449 MET 50 H 0.0068 0.0158 0.0123 2450 MET 50 HA 0.0041 0.0099 0.0068 2451 MET 50 HB3 0.0101 0.0103 0.0038 2452 MET 50 HB2 0.0117 0.0137 0.0069 2453 MET 50 HG3 0.0079 0.0139 0.0094 2454 MET 50 HG2 0.0063 0.0104 0.0062 2455 MET 50 HE1 0.0145 0.0091 -0.0003 2456 MET 50 HE2 0.0127 0.0090 0.0007 2457 MET 50 HE3 0.0098 0.0078 0.0009 2458 PHE 51 N 0.0079 0.0146 0.0120 2459 PHE 51 CA 0.0088 0.0149 0.0118 2460 PHE 51 C 0.0070 0.0126 0.0097 2461 PHE 51 O 0.0039 0.0112 0.0097 2462 PHE 51 CB 0.0079 0.0168 0.0151 2463 PHE 51 CG 0.0098 0.0192 0.0173 2464 PHE 51 CD1 0.0133 0.0202 0.0163 2465 PHE 51 CD2 0.0080 0.0204 0.0202 2466 PHE 51 CE1 0.0151 0.0223 0.0183 2467 PHE 51 CE2 0.0098 0.0226 0.0222 2468 PHE 51 CZ 0.0133 0.0236 0.0212 2469 PHE 51 H 0.0067 0.0155 0.0141 2470 PHE 51 HA 0.0115 0.0155 0.0109 2471 PHE 51 HB3 0.0085 0.0170 0.0149 2472 PHE 51 HB2 0.0051 0.0162 0.0161 2473 PHE 51 HD1 0.0147 0.0192 0.0140 2474 PHE 51 HD2 0.0053 0.0197 0.0209 2475 PHE 51 HE1 0.0178 0.0231 0.0175 2476 PHE 51 HE2 0.0084 0.0236 0.0244 2477 PHE 51 HZ 0.0147 0.0253 0.0227 2478 MET 52 N 0.0089 0.0123 0.0080 2479 MET 52 CA 0.0075 0.0104 0.0062 2480 MET 52 C 0.0059 0.0079 0.0038 2481 MET 52 O 0.0036 0.0063 0.0029 2482 MET 52 CB 0.0049 0.0106 0.0083 2483 MET 52 CG 0.0060 0.0132 0.0112 2484 MET 52 SD 0.0099 0.0145 0.0104 2485 MET 52 CE 0.0086 0.0130 0.0093 2486 MET 52 H 0.0114 0.0134 0.0079 2487 MET 52 HA 0.0097 0.0105 0.0050 2488 MET 52 HB3 0.0044 0.0095 0.0070 2489 MET 52 HB2 0.0024 0.0100 0.0090 2490 MET 52 HG3 0.0039 0.0133 0.0127 2491 MET 52 HG2 0.0062 0.0143 0.0126 2492 MET 52 HE1 0.0108 0.0136 0.0087 2493 MET 52 HE2 0.0066 0.0135 0.0112 2494 MET 52 HE3 0.0075 0.0111 0.0073 2495 GLN 53 N 0.0009 0.0068 0.0030 2496 GLN 53 CA 0.0004 0.0060 0.0022 2497 GLN 53 C 0.0012 0.0053 0.0016 2498 GLN 53 O 0.0023 0.0053 0.0016 2499 GLN 53 CB 0.0001 0.0059 0.0020 2500 GLN 53 CG -0.0010 0.0064 0.0024 2501 GLN 53 CD -0.0013 0.0063 0.0022 2502 GLN 53 OE1 -0.0011 0.0056 0.0016 2503 GLN 53 NE2 -0.0019 0.0069 0.0028 2504 GLN 53 H 0.0015 0.0069 0.0032 2505 GLN 53 HA -0.0003 0.0061 0.0021 2506 GLN 53 HB3 -0.0001 0.0053 0.0013 2507 GLN 53 HB2 0.0008 0.0059 0.0021 2508 GLN 53 HG3 -0.0008 0.0070 0.0031 2509 GLN 53 HG2 -0.0017 0.0063 0.0023 2510 GLN 53 HE22 -0.0022 0.0068 0.0027 2511 GLN 53 HE21 -0.0021 0.0074 0.0033 2512 LYS 54 N 0.0007 0.0048 0.0009 2513 LYS 54 CA 0.0014 0.0041 0.0003 2514 LYS 54 C 0.0012 0.0034 -0.0005 2515 LYS 54 O 0.0021 0.0029 -0.0009 2516 LYS 54 CB 0.0010 0.0041 0.0002 2517 LYS 54 CG 0.0013 0.0033 -0.0006 2518 LYS 54 CD 0.0008 0.0033 -0.0006 2519 LYS 54 CE 0.0013 0.0026 -0.0013 2520 LYS 54 NZ 0.0006 0.0025 -0.0015 2521 LYS 54 H -0.0001 0.0048 0.0009 2522 LYS 54 HA 0.0023 0.0042 0.0005 2523 LYS 54 HB3 0.0000 0.0042 0.0002 2524 LYS 54 HB2 0.0013 0.0046 0.0007 2525 LYS 54 HG3 0.0022 0.0032 -0.0006 2526 LYS 54 HG2 0.0010 0.0028 -0.0011 2527 LYS 54 HD3 -0.0001 0.0033 -0.0008 2528 LYS 54 HD2 0.0010 0.0039 -0.0000 2529 LYS 54 HE3 0.0022 0.0027 -0.0011 2530 LYS 54 HE2 0.0014 0.0021 -0.0019 2531 LYS 54 HZ1 0.0003 0.0031 -0.0009 2532 LYS 54 HZ2 -0.0001 0.0022 -0.0019 2533 LYS 54 HZ3 0.0011 0.0022 -0.0017 2534 TYR 55 N -0.0058 0.0020 -0.0076 2535 TYR 55 CA -0.0060 0.0018 -0.0074 2536 TYR 55 C -0.0063 0.0019 -0.0073 2537 TYR 55 O -0.0063 0.0021 -0.0073 2538 TYR 55 CB -0.0059 0.0015 -0.0073 2539 TYR 55 CG -0.0056 0.0014 -0.0073 2540 TYR 55 CD1 -0.0055 0.0013 -0.0074 2541 TYR 55 CD2 -0.0054 0.0012 -0.0074 2542 TYR 55 CE1 -0.0053 0.0012 -0.0074 2543 TYR 55 CE2 -0.0052 0.0011 -0.0074 2544 TYR 55 CZ -0.0051 0.0010 -0.0075 2545 TYR 55 OH -0.0049 0.0009 -0.0075 2546 TYR 55 H -0.0058 0.0020 -0.0076 2547 TYR 55 HA -0.0059 0.0018 -0.0074 2548 TYR 55 HB3 -0.0060 0.0014 -0.0071 2549 TYR 55 HB2 -0.0059 0.0016 -0.0073 2550 TYR 55 HD1 -0.0057 0.0014 -0.0073 2551 TYR 55 HD2 -0.0055 0.0013 -0.0073 2552 TYR 55 HE1 -0.0052 0.0011 -0.0074 2553 TYR 55 HE2 -0.0050 0.0010 -0.0075 2554 TYR 55 HH -0.0049 0.0008 -0.0075 2555 PRO 56 N -0.0064 0.0019 -0.0071 2556 PRO 56 CA -0.0067 0.0020 -0.0070 2557 PRO 56 C -0.0068 0.0019 -0.0069 2558 PRO 56 O -0.0070 0.0021 -0.0068 2559 PRO 56 CB -0.0068 0.0020 -0.0069 2560 PRO 56 CG -0.0066 0.0017 -0.0069 2561 PRO 56 CD -0.0063 0.0017 -0.0071 2562 PRO 56 HA -0.0068 0.0022 -0.0071 2563 PRO 56 HB3 -0.0068 0.0021 -0.0070 2564 PRO 56 HB2 -0.0070 0.0019 -0.0068 2565 PRO 56 HG3 -0.0066 0.0017 -0.0069 2566 PRO 56 HG2 -0.0066 0.0015 -0.0068 2567 PRO 56 HD2 -0.0062 0.0016 -0.0071 2568 PRO 56 HD3 -0.0063 0.0019 -0.0072 2569 HIS 57 N -0.0058 0.0016 -0.0066 2570 HIS 57 CA -0.0065 0.0017 -0.0069 2571 HIS 57 C -0.0069 0.0020 -0.0061 2572 HIS 57 O -0.0071 0.0020 -0.0061 2573 HIS 57 CB -0.0073 0.0016 -0.0073 2574 HIS 57 CG -0.0081 0.0017 -0.0076 2575 HIS 57 ND1 -0.0088 0.0020 -0.0070 2576 HIS 57 CD2 -0.0083 0.0014 -0.0083 2577 HIS 57 CE1 -0.0094 0.0019 -0.0074 2578 HIS 57 NE2 -0.0091 0.0016 -0.0082 2579 HIS 57 H -0.0058 0.0016 -0.0068 2580 HIS 57 HA -0.0063 0.0015 -0.0073 2581 HIS 57 HB3 -0.0075 0.0018 -0.0069 2582 HIS 57 HB2 -0.0071 0.0014 -0.0079 2583 HIS 57 HD2 -0.0079 0.0012 -0.0089 2584 HIS 57 HE1 -0.0100 0.0021 -0.0071 2585 HIS 57 HE2 -0.0094 0.0015 -0.0087 2586 THR 58 N -0.0069 0.0023 -0.0054 2587 THR 58 CA -0.0072 0.0026 -0.0045 2588 THR 58 C -0.0067 0.0026 -0.0043 2589 THR 58 O -0.0070 0.0027 -0.0041 2590 THR 58 CB -0.0071 0.0028 -0.0038 2591 THR 58 OG1 -0.0076 0.0028 -0.0041 2592 THR 58 CG2 -0.0075 0.0032 -0.0030 2593 THR 58 H -0.0067 0.0022 -0.0054 2594 THR 58 HA -0.0079 0.0027 -0.0046 2595 THR 58 HB -0.0064 0.0028 -0.0037 2596 THR 58 HG1 -0.0083 0.0030 -0.0039 2597 THR 58 HG21 -0.0074 0.0033 -0.0025 2598 THR 58 HG22 -0.0071 0.0032 -0.0028 2599 THR 58 HG23 -0.0082 0.0032 -0.0031 2600 HIS 59 N -0.0083 0.0033 -0.0052 2601 HIS 59 CA -0.0078 0.0032 -0.0051 2602 HIS 59 C -0.0080 0.0029 -0.0059 2603 HIS 59 O -0.0080 0.0030 -0.0058 2604 HIS 59 CB -0.0069 0.0028 -0.0050 2605 HIS 59 CG -0.0063 0.0026 -0.0049 2606 HIS 59 ND1 -0.0063 0.0029 -0.0042 2607 HIS 59 CD2 -0.0058 0.0022 -0.0054 2608 HIS 59 CE1 -0.0057 0.0026 -0.0043 2609 HIS 59 NE2 -0.0054 0.0022 -0.0050 2610 HIS 59 H -0.0081 0.0032 -0.0053 2611 HIS 59 HA -0.0080 0.0034 -0.0046 2612 HIS 59 HB3 -0.0068 0.0025 -0.0055 2613 HIS 59 HB2 -0.0068 0.0030 -0.0044 2614 HIS 59 HD2 -0.0057 0.0019 -0.0060 2615 HIS 59 HE1 -0.0056 0.0027 -0.0039 2616 HIS 59 HE2 -0.0050 0.0019 -0.0053 2617 LEU 60 N -0.0082 0.0027 -0.0066 2618 LEU 60 CA -0.0083 0.0024 -0.0074 2619 LEU 60 C -0.0091 0.0027 -0.0075 2620 LEU 60 O -0.0092 0.0026 -0.0078 2621 LEU 60 CB -0.0083 0.0021 -0.0082 2622 LEU 60 CG -0.0074 0.0017 -0.0082 2623 LEU 60 CD1 -0.0075 0.0014 -0.0088 2624 LEU 60 CD2 -0.0068 0.0014 -0.0084 2625 LEU 60 H -0.0082 0.0027 -0.0067 2626 LEU 60 HA -0.0078 0.0022 -0.0074 2627 LEU 60 HB3 -0.0085 0.0019 -0.0087 2628 LEU 60 HB2 -0.0087 0.0023 -0.0082 2629 LEU 60 HG -0.0072 0.0018 -0.0076 2630 LEU 60 HD11 -0.0068 0.0012 -0.0089 2631 LEU 60 HD12 -0.0079 0.0017 -0.0086 2632 LEU 60 HD13 -0.0077 0.0013 -0.0095 2633 LEU 60 HD21 -0.0062 0.0011 -0.0084 2634 LEU 60 HD22 -0.0070 0.0012 -0.0090 2635 LEU 60 HD23 -0.0068 0.0015 -0.0079 2636 VAL 61 N -0.0084 0.0010 -0.0080 2637 VAL 61 CA -0.0100 0.0023 -0.0086 2638 VAL 61 C -0.0101 0.0030 -0.0080 2639 VAL 61 O -0.0111 0.0033 -0.0091 2640 VAL 61 CB -0.0109 0.0039 -0.0079 2641 VAL 61 CG1 -0.0124 0.0055 -0.0082 2642 VAL 61 CG2 -0.0111 0.0034 -0.0089 2643 VAL 61 H -0.0079 0.0012 -0.0070 2644 VAL 61 HA -0.0107 0.0018 -0.0102 2645 VAL 61 HB -0.0101 0.0042 -0.0064 2646 VAL 61 HG11 -0.0130 0.0065 -0.0077 2647 VAL 61 HG12 -0.0122 0.0059 -0.0074 2648 VAL 61 HG13 -0.0132 0.0051 -0.0097 2649 VAL 61 HG21 -0.0117 0.0045 -0.0084 2650 VAL 61 HG22 -0.0119 0.0030 -0.0104 2651 VAL 61 HG23 -0.0100 0.0023 -0.0086 2652 GLN 62 N -0.0090 0.0032 -0.0062 2653 GLN 62 CA -0.0090 0.0038 -0.0055 2654 GLN 62 C -0.0088 0.0025 -0.0067 2655 GLN 62 O -0.0095 0.0031 -0.0070 2656 GLN 62 CB -0.0077 0.0039 -0.0035 2657 GLN 62 CG -0.0081 0.0056 -0.0020 2658 GLN 62 CD -0.0066 0.0055 -0.0001 2659 GLN 62 OE1 -0.0055 0.0045 0.0002 2660 GLN 62 NE2 -0.0067 0.0067 0.0012 2661 GLN 62 H -0.0082 0.0030 -0.0054 2662 GLN 62 HA -0.0101 0.0051 -0.0055 2663 GLN 62 HB3 -0.0074 0.0039 -0.0031 2664 GLN 62 HB2 -0.0066 0.0028 -0.0033 2665 GLN 62 HG3 -0.0085 0.0057 -0.0025 2666 GLN 62 HG2 -0.0090 0.0067 -0.0020 2667 GLN 62 HE22 -0.0058 0.0068 0.0025 2668 GLN 62 HE21 -0.0077 0.0076 0.0009 2669 GLN 63 N -0.0099 0.0033 -0.0083 2670 GLN 63 CA -0.0101 0.0027 -0.0088 2671 GLN 63 C -0.0108 0.0027 -0.0095 2672 GLN 63 O -0.0112 0.0028 -0.0099 2673 GLN 63 CB -0.0096 0.0019 -0.0087 2674 GLN 63 CG -0.0089 0.0018 -0.0080 2675 GLN 63 CD -0.0085 0.0009 -0.0081 2676 GLN 63 OE1 -0.0083 0.0004 -0.0081 2677 GLN 63 NE2 -0.0084 0.0007 -0.0080 2678 GLN 63 H -0.0096 0.0031 -0.0081 2679 GLN 63 HA -0.0101 0.0030 -0.0086 2680 GLN 63 HB3 -0.0098 0.0014 -0.0091 2681 GLN 63 HB2 -0.0095 0.0017 -0.0087 2682 GLN 63 HG3 -0.0087 0.0021 -0.0076 2683 GLN 63 HG2 -0.0090 0.0022 -0.0079 2684 GLN 63 HE22 -0.0081 0.0001 -0.0081 2685 GLN 63 HE21 -0.0086 0.0011 -0.0080 2686 ALA 64 N -0.0109 0.0026 -0.0097 2687 ALA 64 CA -0.0116 0.0026 -0.0103 2688 ALA 64 C -0.0121 0.0034 -0.0105 2689 ALA 64 O -0.0127 0.0035 -0.0110 2690 ALA 64 CB -0.0116 0.0024 -0.0105 2691 ALA 64 H -0.0106 0.0026 -0.0093 2692 ALA 64 HA -0.0117 0.0021 -0.0107 2693 ALA 64 HB1 -0.0121 0.0024 -0.0110 2694 ALA 64 HB2 -0.0112 0.0018 -0.0104 2695 ALA 64 HB3 -0.0114 0.0029 -0.0101 2696 ASN 65 N -0.0123 0.0030 -0.0127 2697 ASN 65 CA -0.0127 0.0046 -0.0132 2698 ASN 65 C -0.0136 0.0048 -0.0140 2699 ASN 65 O -0.0146 0.0051 -0.0149 2700 ASN 65 CB -0.0133 0.0052 -0.0137 2701 ASN 65 CG -0.0135 0.0069 -0.0141 2702 ASN 65 OD1 -0.0143 0.0074 -0.0149 2703 ASN 65 ND2 -0.0129 0.0079 -0.0136 2704 ASN 65 H -0.0114 0.0029 -0.0119 2705 ASN 65 HA -0.0119 0.0054 -0.0125 2706 ASN 65 HB3 -0.0141 0.0045 -0.0144 2707 ASN 65 HB2 -0.0127 0.0049 -0.0132 2708 ASN 65 HD22 -0.0130 0.0091 -0.0139 2709 ASN 65 HD21 -0.0123 0.0075 -0.0130 2710 PRO 66 N -0.0132 0.0045 -0.0136 2711 PRO 66 CA -0.0140 0.0045 -0.0143 2712 PRO 66 C -0.0142 0.0062 -0.0147 2713 PRO 66 O -0.0136 0.0074 -0.0142 2714 PRO 66 CB -0.0133 0.0037 -0.0137 2715 PRO 66 CG -0.0120 0.0040 -0.0125 2716 PRO 66 CD -0.0119 0.0041 -0.0125 2717 PRO 66 HA -0.0148 0.0039 -0.0150 2718 PRO 66 HB3 -0.0135 0.0024 -0.0137 2719 PRO 66 HB2 -0.0135 0.0042 -0.0139 2720 PRO 66 HG3 -0.0115 0.0031 -0.0120 2721 PRO 66 HG2 -0.0117 0.0052 -0.0124 2722 PRO 66 HD2 -0.0113 0.0051 -0.0120 2723 PRO 66 HD3 -0.0117 0.0029 -0.0122 2724 ARG 67 N -0.0168 0.0048 -0.0192 2725 ARG 67 CA -0.0172 0.0079 -0.0202 2726 ARG 67 C -0.0150 0.0097 -0.0185 2727 ARG 67 O -0.0140 0.0085 -0.0173 2728 ARG 67 CB -0.0193 0.0077 -0.0222 2729 ARG 67 CG -0.0214 0.0091 -0.0245 2730 ARG 67 CD -0.0236 0.0085 -0.0264 2731 ARG 67 NE -0.0229 0.0094 -0.0259 2732 ARG 67 CZ -0.0235 0.0076 -0.0261 2733 ARG 67 NH1 -0.0248 0.0047 -0.0268 2734 ARG 67 NH2 -0.0228 0.0085 -0.0257 2735 ARG 67 H -0.0178 0.0028 -0.0197 2736 ARG 67 HA -0.0176 0.0093 -0.0209 2737 ARG 67 HB3 -0.0188 0.0088 -0.0219 2738 ARG 67 HB2 -0.0199 0.0052 -0.0222 2739 ARG 67 HG3 -0.0219 0.0080 -0.0248 2740 ARG 67 HG2 -0.0209 0.0117 -0.0246 2741 ARG 67 HD3 -0.0243 0.0060 -0.0266 2742 ARG 67 HD2 -0.0249 0.0099 -0.0280 2743 ARG 67 HE -0.0218 0.0115 -0.0254 2744 ARG 67 HH12 -0.0253 0.0033 -0.0269 2745 ARG 67 HH11 -0.0254 0.0040 -0.0271 2746 ARG 67 HH22 -0.0233 0.0072 -0.0258 2747 ARG 67 HH21 -0.0217 0.0107 -0.0252 2748 GLY 68 N -0.0142 0.0127 -0.0184 2749 GLY 68 CA -0.0122 0.0147 -0.0170 2750 GLY 68 C -0.0098 0.0143 -0.0146 2751 GLY 68 O -0.0079 0.0157 -0.0131 2752 GLY 68 H -0.0150 0.0135 -0.0194 2753 GLY 68 HA3 -0.0122 0.0143 -0.0169 2754 GLY 68 HA2 -0.0124 0.0172 -0.0178 2755 SER 69 N -0.0094 0.0090 -0.0132 2756 SER 69 CA -0.0092 0.0089 -0.0126 2757 SER 69 C -0.0091 0.0093 -0.0129 2758 SER 69 O -0.0094 0.0092 -0.0134 2759 SER 69 CB -0.0095 0.0081 -0.0124 2760 SER 69 OG -0.0099 0.0079 -0.0129 2761 SER 69 H -0.0098 0.0087 -0.0135 2762 SER 69 HA -0.0088 0.0090 -0.0122 2763 SER 69 HB3 -0.0097 0.0078 -0.0123 2764 SER 69 HB2 -0.0093 0.0080 -0.0119 2765 SER 69 HG -0.0102 0.0078 -0.0132 2766 ALA 70 N -0.0086 0.0098 -0.0126 2767 ALA 70 CA -0.0084 0.0102 -0.0128 2768 ALA 70 C -0.0085 0.0099 -0.0126 2769 ALA 70 O -0.0084 0.0102 -0.0128 2770 ALA 70 CB -0.0079 0.0109 -0.0126 2771 ALA 70 H -0.0083 0.0098 -0.0121 2772 ALA 70 HA -0.0087 0.0104 -0.0134 2773 ALA 70 HB1 -0.0077 0.0112 -0.0128 2774 ALA 70 HB2 -0.0078 0.0111 -0.0128 2775 ALA 70 HB3 -0.0076 0.0107 -0.0120 2776 GLY 71 N -0.0145 0.0063 -0.0020 2777 GLY 71 CA -0.0134 0.0056 -0.0009 2778 GLY 71 C -0.0127 0.0059 0.0003 2779 GLY 71 O -0.0132 0.0067 0.0002 2780 GLY 71 H -0.0147 0.0057 -0.0028 2781 GLY 71 HA3 -0.0133 0.0062 -0.0004 2782 GLY 71 HA2 -0.0130 0.0044 -0.0013 2783 PRO 72 N -0.0116 0.0052 0.0013 2784 PRO 72 CA -0.0109 0.0053 0.0024 2785 PRO 72 C -0.0112 0.0070 0.0034 2786 PRO 72 O -0.0114 0.0078 0.0037 2787 PRO 72 CB -0.0097 0.0042 0.0033 2788 PRO 72 CG -0.0098 0.0032 0.0024 2789 PRO 72 CD -0.0109 0.0042 0.0016 2790 PRO 72 HA -0.0111 0.0050 0.0019 2791 PRO 72 HB3 -0.0092 0.0035 0.0035 2792 PRO 72 HB2 -0.0094 0.0049 0.0043 2793 PRO 72 HG3 -0.0097 0.0022 0.0017 2794 PRO 72 HG2 -0.0091 0.0029 0.0032 2795 PRO 72 HD2 -0.0108 0.0049 0.0022 2796 PRO 72 HD3 -0.0112 0.0034 0.0005 2797 CYS 73 N -0.0027 -0.0002 0.0024 2798 CYS 73 CA -0.0036 0.0009 0.0038 2799 CYS 73 C -0.0029 0.0008 0.0052 2800 CYS 73 O -0.0022 0.0001 0.0047 2801 CYS 73 CB -0.0053 0.0020 0.0029 2802 CYS 73 SG -0.0055 0.0018 0.0015 2803 CYS 73 H -0.0026 -0.0005 0.0014 2804 CYS 73 HA -0.0036 0.0012 0.0045 2805 CYS 73 HB3 -0.0058 0.0022 0.0021 2806 CYS 73 HB2 -0.0059 0.0029 0.0041 2807 CYS 74 N -0.0032 0.0015 0.0069 2808 CYS 74 CA -0.0027 0.0016 0.0084 2809 CYS 74 C -0.0039 0.0024 0.0080 2810 CYS 74 O -0.0052 0.0035 0.0082 2811 CYS 74 CB -0.0027 0.0021 0.0103 2812 CYS 74 SG -0.0019 0.0020 0.0122 2813 CYS 74 H -0.0037 0.0020 0.0073 2814 CYS 74 HA -0.0016 0.0006 0.0083 2815 CYS 74 HB3 -0.0038 0.0030 0.0105 2816 CYS 74 HB2 -0.0020 0.0016 0.0104 2817 THR 75 N -0.0013 -0.0017 0.0045 2818 THR 75 CA -0.0011 -0.0022 0.0045 2819 THR 75 C -0.0002 -0.0026 0.0047 2820 THR 75 O 0.0002 -0.0028 0.0047 2821 THR 75 CB -0.0018 -0.0030 0.0043 2822 THR 75 OG1 -0.0019 -0.0032 0.0043 2823 THR 75 CG2 -0.0016 -0.0038 0.0043 2824 THR 75 H -0.0010 -0.0020 0.0046 2825 THR 75 HA -0.0012 -0.0017 0.0045 2826 THR 75 HB -0.0025 -0.0027 0.0042 2827 THR 75 HG1 -0.0025 -0.0033 0.0041 2828 THR 75 HG21 -0.0021 -0.0044 0.0041 2829 THR 75 HG22 -0.0016 -0.0037 0.0043 2830 THR 75 HG23 -0.0010 -0.0041 0.0044 2831 PRO 76 N 0.0002 -0.0028 0.0047 2832 PRO 76 CA 0.0011 -0.0032 0.0049 2833 PRO 76 C 0.0012 -0.0042 0.0048 2834 PRO 76 O 0.0006 -0.0048 0.0046 2835 PRO 76 CB 0.0013 -0.0033 0.0049 2836 PRO 76 CG 0.0008 -0.0025 0.0049 2837 PRO 76 CD -0.0001 -0.0025 0.0047 2838 PRO 76 HA 0.0016 -0.0028 0.0050 2839 PRO 76 HB3 0.0021 -0.0032 0.0051 2840 PRO 76 HB2 0.0011 -0.0040 0.0048 2841 PRO 76 HG3 0.0011 -0.0019 0.0050 2842 PRO 76 HG2 0.0006 -0.0027 0.0048 2843 PRO 76 HD2 -0.0006 -0.0030 0.0046 2844 PRO 76 HD3 -0.0003 -0.0018 0.0047 2845 THR 77 N -0.0001 -0.0008 0.0040 2846 THR 77 CA 0.0001 -0.0015 0.0038 2847 THR 77 C 0.0010 -0.0021 0.0034 2848 THR 77 O 0.0012 -0.0028 0.0033 2849 THR 77 CB 0.0002 -0.0008 0.0039 2850 THR 77 OG1 0.0010 -0.0000 0.0037 2851 THR 77 CG2 -0.0008 -0.0003 0.0043 2852 THR 77 H 0.0004 -0.0002 0.0039 2853 THR 77 HA -0.0006 -0.0020 0.0040 2854 THR 77 HB 0.0004 -0.0013 0.0037 2855 THR 77 HG1 0.0008 0.0004 0.0038 2856 THR 77 HG21 -0.0006 0.0001 0.0043 2857 THR 77 HG22 -0.0013 -0.0009 0.0044 2858 THR 77 HG23 -0.0010 0.0002 0.0044 2859 LYS 78 N 0.0015 -0.0019 0.0033 2860 LYS 78 CA 0.0024 -0.0025 0.0029 2861 LYS 78 C 0.0025 -0.0024 0.0029 2862 LYS 78 O 0.0025 -0.0016 0.0030 2863 LYS 78 CB 0.0033 -0.0021 0.0026 2864 LYS 78 CG 0.0042 -0.0028 0.0022 2865 LYS 78 CD 0.0051 -0.0024 0.0020 2866 LYS 78 CE 0.0060 -0.0030 0.0016 2867 LYS 78 NZ 0.0069 -0.0026 0.0013 2868 LYS 78 H 0.0014 -0.0012 0.0034 2869 LYS 78 HA 0.0022 -0.0033 0.0028 2870 LYS 78 HB3 0.0035 -0.0013 0.0027 2871 LYS 78 HB2 0.0032 -0.0020 0.0027 2872 LYS 78 HG3 0.0040 -0.0036 0.0022 2873 LYS 78 HG2 0.0043 -0.0029 0.0022 2874 LYS 78 HD3 0.0053 -0.0016 0.0020 2875 LYS 78 HD2 0.0050 -0.0024 0.0020 2876 LYS 78 HE3 0.0059 -0.0038 0.0015 2877 LYS 78 HE2 0.0061 -0.0030 0.0015 2878 LYS 78 HZ1 0.0071 -0.0019 0.0014 2879 LYS 78 HZ2 0.0075 -0.0031 0.0010 2880 LYS 78 HZ3 0.0069 -0.0026 0.0013 2881 MET 79 N 0.0030 -0.0060 0.0061 2882 MET 79 CA 0.0032 -0.0063 0.0060 2883 MET 79 C 0.0034 -0.0064 0.0057 2884 MET 79 O 0.0035 -0.0065 0.0057 2885 MET 79 CB 0.0030 -0.0066 0.0063 2886 MET 79 CG 0.0027 -0.0064 0.0066 2887 MET 79 SD 0.0027 -0.0062 0.0066 2888 MET 79 CE 0.0028 -0.0067 0.0067 2889 MET 79 H 0.0030 -0.0061 0.0062 2890 MET 79 HA 0.0032 -0.0061 0.0060 2891 MET 79 HB3 0.0031 -0.0068 0.0062 2892 MET 79 HB2 0.0030 -0.0068 0.0064 2893 MET 79 HG3 0.0026 -0.0067 0.0068 2894 MET 79 HG2 0.0027 -0.0062 0.0067 2895 MET 79 HE1 0.0028 -0.0067 0.0067 2896 MET 79 HE2 0.0026 -0.0069 0.0069 2897 MET 79 HE3 0.0030 -0.0069 0.0065 2898 SER 80 N 0.0036 -0.0065 0.0055 2899 SER 80 CA 0.0039 -0.0068 0.0052 2900 SER 80 C 0.0039 -0.0072 0.0053 2901 SER 80 O 0.0038 -0.0072 0.0054 2902 SER 80 CB 0.0041 -0.0065 0.0049 2903 SER 80 OG 0.0041 -0.0062 0.0048 2904 SER 80 H 0.0036 -0.0065 0.0056 2905 SER 80 HA 0.0039 -0.0068 0.0052 2906 SER 80 HB3 0.0043 -0.0067 0.0047 2907 SER 80 HB2 0.0040 -0.0063 0.0049 2908 SER 80 HG 0.0040 -0.0060 0.0049 2909 PRO 81 N 0.0059 -0.0099 0.0079 2910 PRO 81 CA 0.0058 -0.0103 0.0079 2911 PRO 81 C 0.0061 -0.0101 0.0077 2912 PRO 81 O 0.0064 -0.0097 0.0076 2913 PRO 81 CB 0.0059 -0.0108 0.0076 2914 PRO 81 CG 0.0064 -0.0106 0.0073 2915 PRO 81 CD 0.0063 -0.0100 0.0076 2916 PRO 81 HA 0.0054 -0.0104 0.0082 2917 PRO 81 HB3 0.0057 -0.0110 0.0078 2918 PRO 81 HB2 0.0060 -0.0111 0.0074 2919 PRO 81 HG3 0.0064 -0.0109 0.0072 2920 PRO 81 HG2 0.0067 -0.0105 0.0071 2921 PRO 81 HD2 0.0066 -0.0097 0.0074 2922 PRO 81 HD3 0.0062 -0.0101 0.0077 2923 ILE 82 N 0.0059 -0.0104 0.0078 2924 ILE 82 CA 0.0062 -0.0104 0.0075 2925 ILE 82 C 0.0062 -0.0110 0.0073 2926 ILE 82 O 0.0059 -0.0114 0.0074 2927 ILE 82 CB 0.0061 -0.0101 0.0078 2928 ILE 82 CG1 0.0056 -0.0103 0.0081 2929 ILE 82 CG2 0.0061 -0.0095 0.0079 2930 ILE 82 CD1 0.0055 -0.0101 0.0082 2931 ILE 82 H 0.0056 -0.0107 0.0079 2932 ILE 82 HA 0.0066 -0.0102 0.0073 2933 ILE 82 HB 0.0063 -0.0101 0.0076 2934 ILE 82 HG13 0.0055 -0.0108 0.0079 2935 ILE 82 HG12 0.0054 -0.0102 0.0083 2936 ILE 82 HG21 0.0060 -0.0093 0.0081 2937 ILE 82 HG22 0.0065 -0.0093 0.0077 2938 ILE 82 HG23 0.0059 -0.0094 0.0081 2939 ILE 82 HD11 0.0051 -0.0103 0.0085 2940 ILE 82 HD12 0.0057 -0.0102 0.0080 2941 ILE 82 HD13 0.0055 -0.0097 0.0084 2942 ASN 83 N 0.0084 -0.0126 0.0093 2943 ASN 83 CA 0.0085 -0.0128 0.0093 2944 ASN 83 C 0.0083 -0.0124 0.0093 2945 ASN 83 O 0.0083 -0.0118 0.0095 2946 ASN 83 CB 0.0092 -0.0129 0.0093 2947 ASN 83 CG 0.0095 -0.0134 0.0093 2948 ASN 83 OD1 0.0100 -0.0132 0.0094 2949 ASN 83 ND2 0.0093 -0.0139 0.0091 2950 ASN 83 H 0.0088 -0.0123 0.0094 2951 ASN 83 HA 0.0083 -0.0133 0.0091 2952 ASN 83 HB3 0.0093 -0.0131 0.0093 2953 ASN 83 HB2 0.0095 -0.0125 0.0095 2954 ASN 83 HD22 0.0095 -0.0143 0.0091 2955 ASN 83 HD21 0.0090 -0.0141 0.0090 2956 MET 84 N 0.0079 -0.0126 0.0092 2957 MET 84 CA 0.0076 -0.0122 0.0093 2958 MET 84 C 0.0077 -0.0125 0.0092 2959 MET 84 O 0.0078 -0.0130 0.0091 2960 MET 84 CB 0.0069 -0.0121 0.0092 2961 MET 84 CG 0.0068 -0.0118 0.0093 2962 MET 84 SD 0.0060 -0.0117 0.0092 2963 MET 84 CE 0.0059 -0.0110 0.0093 2964 MET 84 H 0.0079 -0.0131 0.0091 2965 MET 84 HA 0.0079 -0.0118 0.0094 2966 MET 84 HB3 0.0067 -0.0119 0.0092 2967 MET 84 HB2 0.0067 -0.0126 0.0091 2968 MET 84 HG3 0.0070 -0.0121 0.0092 2969 MET 84 HG2 0.0070 -0.0114 0.0094 2970 MET 84 HE1 0.0054 -0.0108 0.0093 2971 MET 84 HE2 0.0060 -0.0111 0.0093 2972 MET 84 HE3 0.0062 -0.0106 0.0095 2973 LEU 85 N 0.0071 -0.0133 0.0123 2974 LEU 85 CA 0.0062 -0.0116 0.0124 2975 LEU 85 C 0.0056 -0.0105 0.0113 2976 LEU 85 O 0.0056 -0.0105 0.0118 2977 LEU 85 CB 0.0058 -0.0111 0.0144 2978 LEU 85 CG 0.0050 -0.0096 0.0147 2979 LEU 85 CD1 0.0052 -0.0100 0.0141 2980 LEU 85 CD2 0.0046 -0.0091 0.0168 2981 LEU 85 H 0.0072 -0.0136 0.0130 2982 LEU 85 HA 0.0062 -0.0116 0.0116 2983 LEU 85 HB3 0.0056 -0.0109 0.0151 2984 LEU 85 HB2 0.0063 -0.0122 0.0153 2985 LEU 85 HG 0.0044 -0.0085 0.0139 2986 LEU 85 HD11 0.0046 -0.0089 0.0144 2987 LEU 85 HD12 0.0054 -0.0103 0.0126 2988 LEU 85 HD13 0.0057 -0.0111 0.0150 2989 LEU 85 HD21 0.0040 -0.0081 0.0171 2990 LEU 85 HD22 0.0051 -0.0102 0.0177 2991 LEU 85 HD23 0.0044 -0.0088 0.0172 2992 TYR 86 N 0.0052 -0.0096 0.0098 2993 TYR 86 CA 0.0048 -0.0086 0.0086 2994 TYR 86 C 0.0040 -0.0071 0.0076 2995 TYR 86 O 0.0039 -0.0069 0.0077 2996 TYR 86 CB 0.0055 -0.0098 0.0070 2997 TYR 86 CG 0.0060 -0.0105 0.0058 2998 TYR 86 CD1 0.0067 -0.0121 0.0063 2999 TYR 86 CD2 0.0056 -0.0097 0.0042 3000 TYR 86 CE1 0.0071 -0.0127 0.0053 3001 TYR 86 CE2 0.0060 -0.0103 0.0031 3002 TYR 86 CZ 0.0068 -0.0119 0.0036 3003 TYR 86 OH 0.0072 -0.0125 0.0025 3004 TYR 86 H 0.0052 -0.0095 0.0096 3005 TYR 86 HA 0.0045 -0.0082 0.0094 3006 TYR 86 HB3 0.0060 -0.0108 0.0077 3007 TYR 86 HB2 0.0052 -0.0091 0.0061 3008 TYR 86 HD1 0.0070 -0.0127 0.0076 3009 TYR 86 HD2 0.0050 -0.0085 0.0037 3010 TYR 86 HE1 0.0077 -0.0139 0.0057 3011 TYR 86 HE2 0.0057 -0.0097 0.0018 3012 TYR 86 HH 0.0075 -0.0132 0.0033 3013 PHE 87 N 0.0037 -0.0062 0.0061 3014 PHE 87 CA 0.0022 -0.0036 0.0040 3015 PHE 87 C 0.0035 -0.0040 0.0003 3016 PHE 87 O 0.0046 -0.0052 -0.0008 3017 PHE 87 CB 0.0005 -0.0016 0.0046 3018 PHE 87 CG -0.0011 -0.0006 0.0079 3019 PHE 87 CD1 -0.0028 0.0014 0.0084 3020 PHE 87 CD2 -0.0009 -0.0017 0.0105 3021 PHE 87 CE1 -0.0043 0.0023 0.0114 3022 PHE 87 CE2 -0.0024 -0.0008 0.0136 3023 PHE 87 CZ -0.0041 0.0012 0.0140 3024 PHE 87 H 0.0040 -0.0068 0.0067 3025 PHE 87 HA 0.0014 -0.0028 0.0045 3026 PHE 87 HB3 -0.0003 0.0001 0.0026 3027 PHE 87 HB2 0.0013 -0.0026 0.0044 3028 PHE 87 HD1 -0.0030 0.0023 0.0064 3029 PHE 87 HD2 0.0004 -0.0033 0.0102 3030 PHE 87 HE1 -0.0056 0.0039 0.0117 3031 PHE 87 HE2 -0.0023 -0.0017 0.0156 3032 PHE 87 HZ -0.0052 0.0019 0.0164 3033 ASN 88 N 0.0032 -0.0030 -0.0016 3034 ASN 88 CA 0.0041 -0.0031 -0.0052 3035 ASN 88 C 0.0027 -0.0006 -0.0068 3036 ASN 88 O 0.0010 0.0009 -0.0051 3037 ASN 88 CB 0.0045 -0.0031 -0.0067 3038 ASN 88 CG 0.0025 -0.0005 -0.0064 3039 ASN 88 OD1 0.0007 0.0015 -0.0054 3040 ASN 88 ND2 0.0027 -0.0006 -0.0072 3041 ASN 88 H 0.0023 -0.0023 -0.0006 3042 ASN 88 HA 0.0057 -0.0049 -0.0056 3043 ASN 88 HB3 0.0056 -0.0049 -0.0055 3044 ASN 88 HB2 0.0054 -0.0033 -0.0093 3045 ASN 88 HD22 0.0014 0.0010 -0.0070 3046 ASN 88 HD21 0.0042 -0.0023 -0.0080 3047 ASP 89 N 0.0056 0.0010 -0.0141 3048 ASP 89 CA 0.0033 0.0043 -0.0168 3049 ASP 89 C -0.0008 0.0084 -0.0159 3050 ASP 89 O -0.0033 0.0111 -0.0159 3051 ASP 89 CB 0.0051 0.0043 -0.0226 3052 ASP 89 CG 0.0085 0.0009 -0.0237 3053 ASP 89 OD1 0.0090 -0.0007 -0.0202 3054 ASP 89 OD2 0.0108 -0.0001 -0.0281 3055 ASP 89 H 0.0080 -0.0008 -0.0163 3056 ASP 89 HA 0.0033 0.0038 -0.0152 3057 ASP 89 HB3 0.0030 0.0071 -0.0247 3058 ASP 89 HB2 0.0058 0.0039 -0.0241 3059 LYS 90 N -0.0015 0.0089 -0.0152 3060 LYS 90 CA -0.0053 0.0127 -0.0143 3061 LYS 90 C -0.0072 0.0130 -0.0086 3062 LYS 90 O -0.0104 0.0158 -0.0069 3063 LYS 90 CB -0.0052 0.0132 -0.0160 3064 LYS 90 CG -0.0036 0.0132 -0.0217 3065 LYS 90 CD -0.0020 0.0118 -0.0224 3066 LYS 90 CE -0.0014 0.0129 -0.0280 3067 LYS 90 NZ -0.0013 0.0128 -0.0283 3068 LYS 90 H 0.0007 0.0066 -0.0153 3069 LYS 90 HA -0.0069 0.0151 -0.0167 3070 LYS 90 HB3 -0.0081 0.0159 -0.0150 3071 LYS 90 HB2 -0.0037 0.0108 -0.0136 3072 LYS 90 HG3 -0.0013 0.0112 -0.0231 3073 LYS 90 HG2 -0.0057 0.0163 -0.0240 3074 LYS 90 HD3 -0.0040 0.0131 -0.0199 3075 LYS 90 HD2 0.0006 0.0086 -0.0211 3076 LYS 90 HE3 0.0013 0.0107 -0.0303 3077 LYS 90 HE2 -0.0036 0.0158 -0.0298 3078 LYS 90 HZ1 -0.0037 0.0148 -0.0263 3079 LYS 90 HZ2 -0.0008 0.0136 -0.0321 3080 LYS 90 HZ3 0.0009 0.0101 -0.0268 3081 GLN 91 N -0.0039 0.0085 -0.0060 3082 GLN 91 CA -0.0050 0.0082 -0.0012 3083 GLN 91 C -0.0056 0.0080 0.0017 3084 GLN 91 O -0.0075 0.0093 0.0054 3085 GLN 91 CB -0.0077 0.0116 -0.0004 3086 GLN 91 CG -0.0073 0.0122 -0.0033 3087 GLN 91 CD -0.0050 0.0087 -0.0026 3088 GLN 91 OE1 -0.0043 0.0064 0.0010 3089 GLN 91 NE2 -0.0037 0.0083 -0.0060 3090 GLN 91 H -0.0019 0.0063 -0.0076 3091 GLN 91 HA -0.0034 0.0056 -0.0002 3092 GLN 91 HB3 -0.0085 0.0113 0.0032 3093 GLN 91 HB2 -0.0094 0.0142 -0.0010 3094 GLN 91 HG3 -0.0093 0.0147 -0.0025 3095 GLN 91 HG2 -0.0068 0.0128 -0.0069 3096 GLN 91 HE22 -0.0021 0.0060 -0.0058 3097 GLN 91 HE21 -0.0043 0.0102 -0.0089 3098 GLN 92 N -0.0040 0.0063 0.0001 3099 GLN 92 CA -0.0041 0.0055 0.0028 3100 GLN 92 C -0.0022 0.0017 0.0059 3101 GLN 92 O 0.0001 -0.0009 0.0046 3102 GLN 92 CB -0.0032 0.0055 -0.0003 3103 GLN 92 CG -0.0051 0.0092 -0.0034 3104 GLN 92 CD -0.0039 0.0089 -0.0070 3105 GLN 92 OE1 -0.0013 0.0060 -0.0088 3106 GLN 92 NE2 -0.0058 0.0118 -0.0079 3107 GLN 92 H -0.0026 0.0056 -0.0031 3108 GLN 92 HA -0.0063 0.0077 0.0049 3109 GLN 92 HB3 -0.0032 0.0047 0.0018 3110 GLN 92 HB2 -0.0010 0.0032 -0.0024 3111 GLN 92 HG3 -0.0054 0.0103 -0.0050 3112 GLN 92 HG2 -0.0073 0.0114 -0.0013 3113 GLN 92 HE22 -0.0051 0.0117 -0.0103 3114 GLN 92 HE21 -0.0079 0.0141 -0.0063 3115 ILE 93 N -0.0005 0.0004 0.0080 3116 ILE 93 CA 0.0007 -0.0018 0.0099 3117 ILE 93 C 0.0020 -0.0042 0.0091 3118 ILE 93 O 0.0020 -0.0043 0.0094 3119 ILE 93 CB 0.0003 -0.0012 0.0133 3120 ILE 93 CG1 -0.0010 0.0013 0.0142 3121 ILE 93 CG2 0.0016 -0.0035 0.0152 3122 ILE 93 CD1 -0.0016 0.0024 0.0172 3123 ILE 93 H -0.0013 0.0019 0.0088 3124 ILE 93 HA 0.0009 -0.0022 0.0096 3125 ILE 93 HB 0.0001 -0.0008 0.0136 3126 ILE 93 HG13 -0.0018 0.0028 0.0124 3127 ILE 93 HG12 -0.0008 0.0008 0.0142 3128 ILE 93 HG21 0.0013 -0.0031 0.0176 3129 ILE 93 HG22 0.0025 -0.0052 0.0146 3130 ILE 93 HG23 0.0018 -0.0040 0.0148 3131 ILE 93 HD11 -0.0026 0.0042 0.0177 3132 ILE 93 HD12 -0.0019 0.0030 0.0171 3133 ILE 93 HD13 -0.0008 0.0009 0.0189 3134 ILE 94 N 0.0031 -0.0062 0.0079 3135 ILE 94 CA 0.0043 -0.0086 0.0069 3136 ILE 94 C 0.0057 -0.0111 0.0085 3137 ILE 94 O 0.0059 -0.0115 0.0089 3138 ILE 94 CB 0.0046 -0.0090 0.0035 3139 ILE 94 CG1 0.0033 -0.0066 0.0016 3140 ILE 94 CG2 0.0059 -0.0115 0.0024 3141 ILE 94 CD1 0.0030 -0.0061 0.0018 3142 ILE 94 H 0.0030 -0.0061 0.0078 3143 ILE 94 HA 0.0042 -0.0084 0.0072 3144 ILE 94 HB 0.0047 -0.0092 0.0031 3145 ILE 94 HG13 0.0034 -0.0069 -0.0007 3146 ILE 94 HG12 0.0023 -0.0049 0.0024 3147 ILE 94 HG21 0.0061 -0.0118 -0.0000 3148 ILE 94 HG22 0.0068 -0.0132 0.0036 3149 ILE 94 HG23 0.0059 -0.0114 0.0028 3150 ILE 94 HD11 0.0021 -0.0043 0.0005 3151 ILE 94 HD12 0.0039 -0.0078 0.0010 3152 ILE 94 HD13 0.0028 -0.0057 0.0042 3153 TYR 95 N 0.0071 -0.0128 0.0087 3154 TYR 95 CA 0.0080 -0.0132 0.0092 3155 TYR 95 C 0.0081 -0.0143 0.0083 3156 TYR 95 O 0.0079 -0.0150 0.0075 3157 TYR 95 CB 0.0091 -0.0135 0.0099 3158 TYR 95 CG 0.0101 -0.0141 0.0103 3159 TYR 95 CD1 0.0105 -0.0135 0.0112 3160 TYR 95 CD2 0.0107 -0.0153 0.0098 3161 TYR 95 CE1 0.0114 -0.0141 0.0116 3162 TYR 95 CE2 0.0116 -0.0159 0.0102 3163 TYR 95 CZ 0.0120 -0.0153 0.0111 3164 TYR 95 OH 0.0129 -0.0158 0.0114 3165 TYR 95 H 0.0072 -0.0131 0.0085 3166 TYR 95 HA 0.0079 -0.0126 0.0096 3167 TYR 95 HB3 0.0092 -0.0140 0.0096 3168 TYR 95 HB2 0.0091 -0.0127 0.0106 3169 TYR 95 HD1 0.0101 -0.0126 0.0116 3170 TYR 95 HD2 0.0104 -0.0158 0.0092 3171 TYR 95 HE1 0.0117 -0.0136 0.0122 3172 TYR 95 HE2 0.0121 -0.0168 0.0098 3173 TYR 95 HH 0.0131 -0.0153 0.0120 3174 GLY 96 N 0.0082 -0.0144 0.0083 3175 GLY 96 CA 0.0083 -0.0154 0.0075 3176 GLY 96 C 0.0088 -0.0156 0.0078 3177 GLY 96 O 0.0088 -0.0148 0.0085 3178 GLY 96 H 0.0083 -0.0138 0.0089 3179 GLY 96 HA3 0.0074 -0.0153 0.0068 3180 GLY 96 HA2 0.0087 -0.0161 0.0072 3181 LYS 97 N 0.0090 -0.0139 0.0082 3182 LYS 97 CA 0.0087 -0.0136 0.0081 3183 LYS 97 C 0.0077 -0.0135 0.0080 3184 LYS 97 O 0.0072 -0.0142 0.0080 3185 LYS 97 CB 0.0090 -0.0142 0.0082 3186 LYS 97 CG 0.0092 -0.0137 0.0082 3187 LYS 97 CD 0.0092 -0.0143 0.0083 3188 LYS 97 CE 0.0084 -0.0149 0.0082 3189 LYS 97 NZ 0.0085 -0.0156 0.0084 3190 LYS 97 H 0.0091 -0.0146 0.0083 3191 LYS 97 HA 0.0090 -0.0129 0.0081 3192 LYS 97 HB3 0.0085 -0.0147 0.0082 3193 LYS 97 HB2 0.0096 -0.0146 0.0084 3194 LYS 97 HG3 0.0099 -0.0133 0.0082 3195 LYS 97 HG2 0.0087 -0.0132 0.0081 3196 LYS 97 HD3 0.0098 -0.0147 0.0084 3197 LYS 97 HD2 0.0092 -0.0139 0.0082 3198 LYS 97 HE3 0.0078 -0.0145 0.0081 3199 LYS 97 HE2 0.0083 -0.0152 0.0083 3200 LYS 97 HZ1 0.0090 -0.0160 0.0085 3201 LYS 97 HZ2 0.0079 -0.0160 0.0083 3202 LYS 97 HZ3 0.0086 -0.0154 0.0083 3203 ILE 98 N 0.0074 -0.0127 0.0078 3204 ILE 98 CA 0.0064 -0.0126 0.0077 3205 ILE 98 C 0.0059 -0.0124 0.0076 3206 ILE 98 O 0.0060 -0.0117 0.0075 3207 ILE 98 CB 0.0062 -0.0117 0.0075 3208 ILE 98 CG1 0.0068 -0.0118 0.0076 3209 ILE 98 CG2 0.0052 -0.0116 0.0074 3210 ILE 98 CD1 0.0065 -0.0126 0.0077 3211 ILE 98 H 0.0078 -0.0122 0.0078 3212 ILE 98 HA 0.0061 -0.0131 0.0077 3213 ILE 98 HB 0.0065 -0.0111 0.0075 3214 ILE 98 HG13 0.0067 -0.0111 0.0075 3215 ILE 98 HG12 0.0075 -0.0118 0.0077 3216 ILE 98 HG21 0.0051 -0.0110 0.0073 3217 ILE 98 HG22 0.0049 -0.0115 0.0073 3218 ILE 98 HG23 0.0050 -0.0122 0.0074 3219 ILE 98 HD11 0.0069 -0.0125 0.0077 3220 ILE 98 HD12 0.0058 -0.0125 0.0076 3221 ILE 98 HD13 0.0066 -0.0132 0.0078 3222 PRO 99 N 0.0057 -0.0106 0.0073 3223 PRO 99 CA 0.0050 -0.0099 0.0075 3224 PRO 99 C 0.0044 -0.0093 0.0075 3225 PRO 99 O 0.0043 -0.0095 0.0077 3226 PRO 99 CB 0.0045 -0.0106 0.0081 3227 PRO 99 CG 0.0052 -0.0115 0.0082 3228 PRO 99 CD 0.0057 -0.0115 0.0078 3229 PRO 99 HA 0.0053 -0.0096 0.0071 3230 PRO 99 HB3 0.0044 -0.0104 0.0081 3231 PRO 99 HB2 0.0040 -0.0106 0.0085 3232 PRO 99 HG3 0.0056 -0.0116 0.0079 3233 PRO 99 HG2 0.0048 -0.0120 0.0087 3234 PRO 99 HD2 0.0053 -0.0117 0.0081 3235 PRO 99 HD3 0.0063 -0.0119 0.0076 3236 GLY 100 N 0.0040 -0.0085 0.0074 3237 GLY 100 CA 0.0033 -0.0079 0.0075 3238 GLY 100 C 0.0036 -0.0074 0.0071 3239 GLY 100 O 0.0031 -0.0073 0.0073 3240 GLY 100 H 0.0041 -0.0084 0.0072 3241 GLY 100 HA3 0.0028 -0.0082 0.0080 3242 GLY 100 HA2 0.0030 -0.0074 0.0075 3243 MET 101 N 0.0035 -0.0082 0.0079 3244 MET 101 CA 0.0037 -0.0083 0.0075 3245 MET 101 C 0.0035 -0.0080 0.0072 3246 MET 101 O 0.0035 -0.0080 0.0070 3247 MET 101 CB 0.0040 -0.0086 0.0072 3248 MET 101 CG 0.0042 -0.0091 0.0075 3249 MET 101 SD 0.0044 -0.0094 0.0077 3250 MET 101 CE 0.0046 -0.0095 0.0071 3251 MET 101 H 0.0035 -0.0081 0.0078 3252 MET 101 HA 0.0038 -0.0085 0.0078 3253 MET 101 HB3 0.0041 -0.0087 0.0069 3254 MET 101 HB2 0.0039 -0.0085 0.0071 3255 MET 101 HG3 0.0044 -0.0092 0.0073 3256 MET 101 HG2 0.0041 -0.0090 0.0079 3257 MET 101 HE1 0.0048 -0.0097 0.0071 3258 MET 101 HE2 0.0048 -0.0097 0.0069 3259 MET 101 HE3 0.0045 -0.0092 0.0068 3260 VAL 102 N 0.0033 -0.0077 0.0070 3261 VAL 102 CA 0.0031 -0.0073 0.0067 3262 VAL 102 C 0.0027 -0.0069 0.0070 3263 VAL 102 O 0.0026 -0.0068 0.0072 3264 VAL 102 CB 0.0031 -0.0072 0.0062 3265 VAL 102 CG1 0.0028 -0.0069 0.0059 3266 VAL 102 CG2 0.0034 -0.0076 0.0059 3267 VAL 102 H 0.0032 -0.0076 0.0072 3268 VAL 102 HA 0.0031 -0.0074 0.0066 3269 VAL 102 HB 0.0030 -0.0072 0.0064 3270 VAL 102 HG11 0.0028 -0.0068 0.0055 3271 VAL 102 HG12 0.0026 -0.0066 0.0061 3272 VAL 102 HG13 0.0029 -0.0069 0.0057 3273 VAL 102 HG21 0.0034 -0.0075 0.0056 3274 VAL 102 HG22 0.0035 -0.0077 0.0058 3275 VAL 102 HG23 0.0035 -0.0079 0.0062 3276 VAL 103 N 0.0022 -0.0059 0.0050 3277 VAL 103 CA 0.0022 -0.0049 0.0054 3278 VAL 103 C 0.0023 -0.0041 0.0046 3279 VAL 103 O 0.0023 -0.0040 0.0041 3280 VAL 103 CB 0.0020 -0.0047 0.0063 3281 VAL 103 CG1 0.0020 -0.0036 0.0066 3282 VAL 103 CG2 0.0019 -0.0054 0.0072 3283 VAL 103 H 0.0022 -0.0062 0.0050 3284 VAL 103 HA 0.0021 -0.0049 0.0057 3285 VAL 103 HB 0.0021 -0.0049 0.0061 3286 VAL 103 HG11 0.0019 -0.0034 0.0072 3287 VAL 103 HG12 0.0021 -0.0031 0.0060 3288 VAL 103 HG13 0.0020 -0.0034 0.0069 3289 VAL 103 HG21 0.0018 -0.0052 0.0078 3290 VAL 103 HG22 0.0019 -0.0052 0.0074 3291 VAL 103 HG23 0.0020 -0.0062 0.0070 3292 ASP 104 N 0.0023 -0.0035 0.0044 3293 ASP 104 CA 0.0024 -0.0027 0.0037 3294 ASP 104 C 0.0023 -0.0017 0.0042 3295 ASP 104 O 0.0024 -0.0011 0.0037 3296 ASP 104 CB 0.0025 -0.0026 0.0032 3297 ASP 104 CG 0.0025 -0.0036 0.0027 3298 ASP 104 OD1 0.0026 -0.0041 0.0023 3299 ASP 104 OD2 0.0026 -0.0037 0.0026 3300 ASP 104 H 0.0022 -0.0036 0.0048 3301 ASP 104 HA 0.0025 -0.0029 0.0031 3302 ASP 104 HB3 0.0025 -0.0020 0.0026 3303 ASP 104 HB2 0.0024 -0.0023 0.0037 3304 ARG 105 N 0.0031 -0.0007 0.0033 3305 ARG 105 CA 0.0033 0.0005 0.0040 3306 ARG 105 C 0.0026 0.0004 0.0053 3307 ARG 105 O 0.0020 -0.0006 0.0055 3308 ARG 105 CB 0.0039 0.0010 0.0033 3309 ARG 105 CG 0.0041 0.0022 0.0040 3310 ARG 105 CD 0.0047 0.0025 0.0031 3311 ARG 105 NE 0.0052 0.0021 0.0018 3312 ARG 105 CZ 0.0054 0.0018 0.0009 3313 ARG 105 NH1 0.0053 0.0018 0.0012 3314 ARG 105 NH2 0.0058 0.0015 -0.0003 3315 ARG 105 H 0.0026 -0.0015 0.0035 3316 ARG 105 HA 0.0036 0.0011 0.0041 3317 ARG 105 HB3 0.0036 0.0003 0.0030 3318 ARG 105 HB2 0.0044 0.0011 0.0024 3319 ARG 105 HG3 0.0044 0.0029 0.0041 3320 ARG 105 HG2 0.0036 0.0020 0.0048 3321 ARG 105 HD3 0.0051 0.0036 0.0033 3322 ARG 105 HD2 0.0044 0.0021 0.0034 3323 ARG 105 HE 0.0053 0.0021 0.0016 3324 ARG 105 HH12 0.0055 0.0015 0.0006 3325 ARG 105 HH11 0.0049 0.0020 0.0022 3326 ARG 105 HH22 0.0060 0.0012 -0.0009 3327 ARG 105 HH21 0.0060 0.0015 -0.0005 3328 CYS 106 N 0.0026 0.0013 0.0062 3329 CYS 106 CA 0.0020 0.0014 0.0075 3330 CYS 106 C 0.0023 0.0025 0.0080 3331 CYS 106 O 0.0030 0.0035 0.0075 3332 CYS 106 CB 0.0017 0.0016 0.0084 3333 CYS 106 SG 0.0012 0.0003 0.0080 3334 CYS 106 H 0.0031 0.0021 0.0060 3335 CYS 106 HA 0.0015 0.0005 0.0076 3336 CYS 106 HB3 0.0013 0.0017 0.0093 3337 CYS 106 HB2 0.0021 0.0024 0.0083 3338 GLY 107 N 0.0006 0.0031 0.0045 3339 GLY 107 CA 0.0011 0.0032 0.0044 3340 GLY 107 C -0.0009 0.0031 0.0048 3341 GLY 107 O -0.0026 0.0029 0.0050 3342 GLY 107 H -0.0008 0.0026 0.0044 3343 GLY 107 HA3 0.0019 0.0021 0.0034 3344 GLY 107 HA2 0.0022 0.0043 0.0051 3345 CYS 108 N -0.0006 0.0034 0.0050 3346 CYS 108 CA -0.0025 0.0033 0.0053 3347 CYS 108 C -0.0030 0.0016 0.0041 3348 CYS 108 O -0.0018 0.0011 0.0034 3349 CYS 108 CB -0.0021 0.0047 0.0064 3350 CYS 108 SG -0.0020 0.0067 0.0080 3351 CYS 108 H 0.0008 0.0036 0.0048 3352 CYS 108 HA -0.0038 0.0035 0.0058 3353 CYS 108 HB3 -0.0033 0.0045 0.0065 3354 CYS 108 HB2 -0.0006 0.0046 0.0060 3355 SER 109 N -0.0035 0.0005 0.0006 3356 SER 109 CA -0.0040 -0.0006 -0.0005 3357 SER 109 C -0.0054 -0.0006 -0.0010 3358 SER 109 O -0.0065 0.0003 -0.0007 3359 SER 109 CB -0.0043 -0.0009 -0.0008 3360 SER 109 OG -0.0030 -0.0008 -0.0003 3361 SER 109 OXT -0.0055 -0.0014 -0.0018 3362 SER 109 H -0.0042 0.0013 0.0010 3363 SER 109 HA -0.0032 -0.0014 -0.0008 3364 SER 109 HB3 -0.0045 -0.0018 -0.0017 3365 SER 109 HB2 -0.0052 -0.0002 -0.0006 3366 SER 109 HG -0.0028 -0.0001 0.0004