1 LYS 1 N 0.0109 -0.0022 -0.0140 2 LYS 1 CA 0.0122 -0.0040 -0.0148 3 LYS 1 C 0.0148 -0.0037 -0.0099 4 LYS 1 O 0.0140 -0.0009 -0.0063 5 LYS 1 CB 0.0084 -0.0015 -0.0169 6 LYS 1 CG 0.0087 -0.0019 -0.0171 7 LYS 1 CD 0.0046 0.0008 -0.0193 8 LYS 1 CE 0.0049 0.0005 -0.0194 9 LYS 1 NZ 0.0010 0.0027 -0.0221 10 LYS 1 H1 0.0091 -0.0024 -0.0172 11 LYS 1 H2 0.0133 -0.0037 -0.0124 12 LYS 1 H3 0.0093 0.0006 -0.0117 13 LYS 1 HA 0.0139 -0.0071 -0.0173 14 LYS 1 HB3 0.0063 0.0016 -0.0150 15 LYS 1 HB2 0.0067 -0.0019 -0.0205 16 LYS 1 HG3 0.0105 -0.0050 -0.0193 17 LYS 1 HG2 0.0102 -0.0013 -0.0135 18 LYS 1 HD3 0.0027 0.0039 -0.0171 19 LYS 1 HD2 0.0031 0.0002 -0.0229 20 LYS 1 HE3 0.0071 -0.0026 -0.0210 21 LYS 1 HE2 0.0059 0.0016 -0.0156 22 LYS 1 HZ1 0.0014 0.0022 -0.0223 23 LYS 1 HZ2 -0.0001 0.0017 -0.0255 24 LYS 1 HZ3 -0.0010 0.0056 -0.0204 25 VAL 2 N 0.0165 -0.0052 -0.0125 26 VAL 2 CA 0.0186 -0.0052 -0.0089 27 VAL 2 C 0.0170 -0.0044 -0.0106 28 VAL 2 O 0.0172 -0.0070 -0.0139 29 VAL 2 CB 0.0225 -0.0091 -0.0075 30 VAL 2 CG1 0.0245 -0.0088 -0.0035 31 VAL 2 CG2 0.0240 -0.0098 -0.0058 32 VAL 2 H 0.0169 -0.0078 -0.0153 33 VAL 2 HA 0.0183 -0.0025 -0.0059 34 VAL 2 HB 0.0229 -0.0118 -0.0104 35 VAL 2 HG11 0.0273 -0.0117 -0.0025 36 VAL 2 HG12 0.0234 -0.0083 -0.0047 37 VAL 2 HG13 0.0241 -0.0061 -0.0005 38 VAL 2 HG21 0.0268 -0.0127 -0.0048 39 VAL 2 HG22 0.0236 -0.0071 -0.0029 40 VAL 2 HG23 0.0226 -0.0102 -0.0087 41 PHE 3 N 0.0121 0.0019 -0.0056 42 PHE 3 CA 0.0109 0.0027 -0.0056 43 PHE 3 C 0.0135 0.0017 -0.0042 44 PHE 3 O 0.0157 0.0015 -0.0019 45 PHE 3 CB 0.0088 0.0056 -0.0036 46 PHE 3 CG 0.0057 0.0070 -0.0052 47 PHE 3 CD1 0.0050 0.0073 -0.0054 48 PHE 3 CD2 0.0033 0.0079 -0.0064 49 PHE 3 CE1 0.0021 0.0086 -0.0068 50 PHE 3 CE2 0.0004 0.0092 -0.0079 51 PHE 3 CZ -0.0003 0.0096 -0.0080 52 PHE 3 H 0.0119 0.0031 -0.0040 53 PHE 3 HA 0.0097 0.0021 -0.0081 54 PHE 3 HB3 0.0087 0.0061 -0.0029 55 PHE 3 HB2 0.0098 0.0063 -0.0014 56 PHE 3 HD1 0.0069 0.0066 -0.0044 57 PHE 3 HD2 0.0037 0.0077 -0.0063 58 PHE 3 HE1 0.0017 0.0088 -0.0070 59 PHE 3 HE2 -0.0014 0.0098 -0.0090 60 PHE 3 HZ -0.0025 0.0107 -0.0090 61 GLU 4 N 0.0117 0.0088 -0.0067 62 GLU 4 CA 0.0159 0.0071 -0.0031 63 GLU 4 C 0.0133 0.0060 0.0023 64 GLU 4 O 0.0092 0.0067 0.0024 65 GLU 4 CB 0.0202 0.0069 -0.0048 66 GLU 4 CG 0.0229 0.0078 -0.0100 67 GLU 4 CD 0.0266 0.0078 -0.0123 68 GLU 4 OE1 0.0307 0.0066 -0.0101 69 GLU 4 OE2 0.0256 0.0092 -0.0168 70 GLU 4 H 0.0111 0.0095 -0.0090 71 GLU 4 HA 0.0177 0.0067 -0.0029 72 GLU 4 HB3 0.0231 0.0056 -0.0019 73 GLU 4 HB2 0.0184 0.0072 -0.0052 74 GLU 4 HG3 0.0199 0.0091 -0.0128 75 GLU 4 HG2 0.0251 0.0073 -0.0096 76 ARG 5 N 0.0017 0.0048 0.0063 77 ARG 5 CA 0.0021 0.0038 0.0049 78 ARG 5 C 0.0028 0.0026 0.0063 79 ARG 5 O 0.0038 0.0007 0.0059 80 ARG 5 CB 0.0011 0.0053 0.0036 81 ARG 5 CG 0.0014 0.0045 0.0022 82 ARG 5 CD 0.0004 0.0062 0.0008 83 ARG 5 NE -0.0002 0.0077 0.0022 84 ARG 5 CZ -0.0001 0.0075 0.0028 85 ARG 5 NH1 0.0006 0.0059 0.0022 86 ARG 5 NH2 -0.0008 0.0090 0.0040 87 ARG 5 H 0.0009 0.0063 0.0060 88 ARG 5 HA 0.0025 0.0027 0.0037 89 ARG 5 HB3 0.0006 0.0065 0.0047 90 ARG 5 HB2 0.0006 0.0061 0.0025 91 ARG 5 HG3 0.0019 0.0033 0.0010 92 ARG 5 HG2 0.0018 0.0039 0.0033 93 ARG 5 HD3 -0.0001 0.0070 -0.0000 94 ARG 5 HD2 0.0006 0.0056 -0.0005 95 ARG 5 HE -0.0008 0.0089 0.0028 96 ARG 5 HH12 0.0007 0.0059 0.0026 97 ARG 5 HH11 0.0012 0.0048 0.0013 98 ARG 5 HH22 -0.0007 0.0090 0.0044 99 ARG 5 HH21 -0.0014 0.0103 0.0045 100 CYS 6 N 0.0115 0.0151 0.0039 101 CYS 6 CA 0.0119 0.0137 0.0059 102 CYS 6 C 0.0109 0.0142 0.0048 103 CYS 6 O 0.0100 0.0128 0.0061 104 CYS 6 CB 0.0154 0.0139 0.0075 105 CYS 6 SG 0.0165 0.0127 0.0096 106 CYS 6 H 0.0133 0.0164 0.0033 107 CYS 6 HA 0.0105 0.0120 0.0073 108 CYS 6 HB3 0.0158 0.0132 0.0087 109 CYS 6 HB2 0.0169 0.0156 0.0061 110 GLU 7 N 0.0134 0.0141 0.0007 111 GLU 7 CA 0.0100 0.0137 -0.0021 112 GLU 7 C 0.0069 0.0143 -0.0009 113 GLU 7 O 0.0034 0.0147 -0.0009 114 GLU 7 CB 0.0116 0.0124 -0.0060 115 GLU 7 CG 0.0085 0.0119 -0.0092 116 GLU 7 CD 0.0100 0.0107 -0.0130 117 GLU 7 OE1 0.0131 0.0104 -0.0130 118 GLU 7 OE2 0.0079 0.0101 -0.0160 119 GLU 7 H 0.0161 0.0136 -0.0002 120 GLU 7 HA 0.0086 0.0138 -0.0022 121 GLU 7 HB3 0.0131 0.0123 -0.0058 122 GLU 7 HB2 0.0139 0.0120 -0.0068 123 GLU 7 HG3 0.0074 0.0119 -0.0097 124 GLU 7 HG2 0.0059 0.0124 -0.0083 125 LEU 8 N 0.0040 0.0082 -0.0006 126 LEU 8 CA 0.0019 0.0085 0.0002 127 LEU 8 C 0.0010 0.0085 0.0024 128 LEU 8 O -0.0010 0.0089 0.0026 129 LEU 8 CB 0.0021 0.0084 0.0008 130 LEU 8 CG 0.0000 0.0088 0.0016 131 LEU 8 CD1 -0.0018 0.0093 -0.0001 132 LEU 8 CD2 0.0006 0.0086 0.0022 133 LEU 8 H 0.0054 0.0079 -0.0005 134 LEU 8 HA 0.0006 0.0089 -0.0011 135 LEU 8 HB3 0.0034 0.0080 0.0020 136 LEU 8 HB2 0.0028 0.0084 -0.0007 137 LEU 8 HG -0.0006 0.0087 0.0032 138 LEU 8 HD11 -0.0033 0.0096 0.0005 139 LEU 8 HD12 -0.0022 0.0094 -0.0004 140 LEU 8 HD13 -0.0013 0.0094 -0.0017 141 LEU 8 HD21 -0.0010 0.0088 0.0028 142 LEU 8 HD22 0.0012 0.0086 0.0007 143 LEU 8 HD23 0.0018 0.0082 0.0035 144 ALA 9 N -0.0002 0.0103 0.0024 145 ALA 9 CA -0.0006 0.0091 0.0046 146 ALA 9 C -0.0008 0.0091 0.0045 147 ALA 9 O -0.0025 0.0086 0.0054 148 ALA 9 CB 0.0014 0.0082 0.0062 149 ALA 9 H 0.0013 0.0105 0.0021 150 ALA 9 HA -0.0024 0.0087 0.0052 151 ALA 9 HB1 0.0011 0.0072 0.0078 152 ALA 9 HB2 0.0014 0.0081 0.0063 153 ALA 9 HB3 0.0033 0.0085 0.0055 154 ARG 10 N 0.0037 0.0122 0.0078 155 ARG 10 CA 0.0028 0.0122 0.0078 156 ARG 10 C -0.0025 0.0130 0.0048 157 ARG 10 O -0.0055 0.0121 0.0062 158 ARG 10 CB 0.0078 0.0135 0.0057 159 ARG 10 CG 0.0131 0.0125 0.0092 160 ARG 10 CD 0.0175 0.0138 0.0069 161 ARG 10 NE 0.0198 0.0161 0.0022 162 ARG 10 CZ 0.0237 0.0165 0.0020 163 ARG 10 NH1 0.0263 0.0149 0.0063 164 ARG 10 NH2 0.0253 0.0186 -0.0025 165 ARG 10 H 0.0069 0.0133 0.0060 166 ARG 10 HA 0.0023 0.0104 0.0118 167 ARG 10 HB3 0.0066 0.0138 0.0047 168 ARG 10 HB2 0.0088 0.0152 0.0019 169 ARG 10 HG3 0.0147 0.0124 0.0095 170 ARG 10 HG2 0.0121 0.0107 0.0130 171 ARG 10 HD3 0.0209 0.0129 0.0097 172 ARG 10 HD2 0.0157 0.0140 0.0061 173 ARG 10 HE 0.0181 0.0174 -0.0011 174 ARG 10 HH12 0.0293 0.0152 0.0061 175 ARG 10 HH11 0.0253 0.0133 0.0098 176 ARG 10 HH22 0.0283 0.0189 -0.0026 177 ARG 10 HH21 0.0235 0.0199 -0.0058 178 THR 11 N -0.0043 0.0134 0.0020 179 THR 11 CA -0.0069 0.0138 0.0004 180 THR 11 C -0.0093 0.0141 0.0025 181 THR 11 O -0.0118 0.0144 0.0023 182 THR 11 CB -0.0063 0.0139 -0.0019 183 THR 11 OG1 -0.0042 0.0137 -0.0039 184 THR 11 CG2 -0.0089 0.0143 -0.0036 185 THR 11 H -0.0025 0.0132 0.0016 186 THR 11 HA -0.0077 0.0140 -0.0007 187 THR 11 HB -0.0053 0.0137 -0.0008 188 THR 11 HG1 -0.0023 0.0134 -0.0031 189 THR 11 HG21 -0.0083 0.0144 -0.0052 190 THR 11 HG22 -0.0105 0.0145 -0.0021 191 THR 11 HG23 -0.0098 0.0145 -0.0047 192 LEU 12 N -0.0089 0.0109 0.0029 193 LEU 12 CA -0.0096 0.0108 0.0035 194 LEU 12 C -0.0098 0.0107 0.0042 195 LEU 12 O -0.0106 0.0107 0.0044 196 LEU 12 CB -0.0093 0.0108 0.0040 197 LEU 12 CG -0.0092 0.0108 0.0034 198 LEU 12 CD1 -0.0088 0.0107 0.0040 199 LEU 12 CD2 -0.0100 0.0110 0.0029 200 LEU 12 H -0.0083 0.0109 0.0029 201 LEU 12 HA -0.0101 0.0109 0.0031 202 LEU 12 HB3 -0.0098 0.0107 0.0045 203 LEU 12 HB2 -0.0087 0.0107 0.0044 204 LEU 12 HG -0.0087 0.0109 0.0029 205 LEU 12 HD11 -0.0087 0.0108 0.0035 206 LEU 12 HD12 -0.0082 0.0107 0.0042 207 LEU 12 HD13 -0.0093 0.0107 0.0045 208 LEU 12 HD21 -0.0099 0.0110 0.0025 209 LEU 12 HD22 -0.0105 0.0109 0.0034 210 LEU 12 HD23 -0.0102 0.0110 0.0025 211 LYS 13 N -0.0108 0.0109 0.0057 212 LYS 13 CA -0.0117 0.0096 0.0100 213 LYS 13 C -0.0144 0.0090 0.0089 214 LYS 13 O -0.0178 0.0075 0.0112 215 LYS 13 CB -0.0072 0.0102 0.0127 216 LYS 13 CG -0.0078 0.0089 0.0174 217 LYS 13 CD -0.0041 0.0091 0.0210 218 LYS 13 CE -0.0054 0.0075 0.0259 219 LYS 13 NZ -0.0021 0.0075 0.0295 220 LYS 13 H -0.0076 0.0121 0.0048 221 LYS 13 HA -0.0137 0.0084 0.0122 222 LYS 13 HB3 -0.0051 0.0114 0.0106 223 LYS 13 HB2 -0.0052 0.0107 0.0134 224 LYS 13 HG3 -0.0112 0.0076 0.0186 225 LYS 13 HG2 -0.0079 0.0090 0.0168 226 LYS 13 HD3 -0.0008 0.0103 0.0201 227 LYS 13 HD2 -0.0036 0.0092 0.0212 228 LYS 13 HE3 -0.0089 0.0063 0.0264 229 LYS 13 HE2 -0.0051 0.0075 0.0260 230 LYS 13 HZ1 0.0010 0.0088 0.0282 231 LYS 13 HZ2 -0.0018 0.0069 0.0323 232 LYS 13 HZ3 -0.0033 0.0069 0.0305 233 ARG 14 N -0.0134 0.0138 0.0086 234 ARG 14 CA -0.0166 0.0134 0.0069 235 ARG 14 C -0.0210 0.0128 0.0056 236 ARG 14 O -0.0244 0.0122 0.0058 237 ARG 14 CB -0.0146 0.0139 0.0026 238 ARG 14 CG -0.0114 0.0143 0.0037 239 ARG 14 CD -0.0109 0.0145 -0.0004 240 ARG 14 NE -0.0096 0.0149 -0.0043 241 ARG 14 CZ -0.0054 0.0156 -0.0052 242 ARG 14 NH1 -0.0022 0.0160 -0.0027 243 ARG 14 NH2 -0.0046 0.0158 -0.0087 244 ARG 14 H -0.0107 0.0143 0.0069 245 ARG 14 HA -0.0171 0.0133 0.0094 246 ARG 14 HB3 -0.0172 0.0135 0.0005 247 ARG 14 HB2 -0.0129 0.0142 0.0008 248 ARG 14 HG3 -0.0082 0.0148 0.0045 249 ARG 14 HG2 -0.0127 0.0140 0.0065 250 ARG 14 HD3 -0.0086 0.0149 0.0003 251 ARG 14 HD2 -0.0141 0.0141 -0.0011 252 ARG 14 HE -0.0120 0.0146 -0.0063 253 ARG 14 HH12 0.0010 0.0165 -0.0035 254 ARG 14 HH11 -0.0029 0.0158 -0.0000 255 ARG 14 HH22 -0.0015 0.0163 -0.0095 256 ARG 14 HH21 -0.0071 0.0155 -0.0105 257 LEU 15 N -0.0133 0.0133 0.0052 258 LEU 15 CA -0.0143 0.0133 0.0050 259 LEU 15 C -0.0150 0.0129 0.0058 260 LEU 15 O -0.0159 0.0129 0.0057 261 LEU 15 CB -0.0144 0.0136 0.0043 262 LEU 15 CG -0.0141 0.0140 0.0033 263 LEU 15 CD1 -0.0140 0.0143 0.0027 264 LEU 15 CD2 -0.0148 0.0142 0.0029 265 LEU 15 H -0.0128 0.0133 0.0052 266 LEU 15 HA -0.0147 0.0134 0.0046 267 LEU 15 HB3 -0.0151 0.0136 0.0043 268 LEU 15 HB2 -0.0140 0.0135 0.0046 269 LEU 15 HG -0.0133 0.0140 0.0034 270 LEU 15 HD11 -0.0138 0.0145 0.0021 271 LEU 15 HD12 -0.0134 0.0142 0.0031 272 LEU 15 HD13 -0.0147 0.0142 0.0027 273 LEU 15 HD21 -0.0145 0.0145 0.0022 274 LEU 15 HD22 -0.0155 0.0141 0.0028 275 LEU 15 HD23 -0.0148 0.0140 0.0033 276 GLY 16 N -0.0107 0.0080 0.0067 277 GLY 16 CA -0.0092 0.0074 0.0039 278 GLY 16 C -0.0088 0.0084 0.0000 279 GLY 16 O -0.0071 0.0075 -0.0024 280 GLY 16 H -0.0126 0.0097 0.0078 281 GLY 16 HA3 -0.0074 0.0051 0.0044 282 GLY 16 HA2 -0.0101 0.0083 0.0043 283 MET 17 N -0.0073 0.0075 0.0001 284 MET 17 CA -0.0087 0.0073 -0.0018 285 MET 17 C -0.0097 0.0067 -0.0044 286 MET 17 O -0.0104 0.0063 -0.0063 287 MET 17 CB -0.0111 0.0085 -0.0005 288 MET 17 CG -0.0100 0.0089 0.0018 289 MET 17 SD -0.0086 0.0080 0.0005 290 MET 17 CE -0.0113 0.0091 0.0010 291 MET 17 H -0.0082 0.0083 0.0016 292 MET 17 HA -0.0074 0.0067 -0.0022 293 MET 17 HB3 -0.0123 0.0084 -0.0020 294 MET 17 HB2 -0.0123 0.0092 0.0002 295 MET 17 HG3 -0.0117 0.0099 0.0029 296 MET 17 HG2 -0.0085 0.0089 0.0030 297 MET 17 HE1 -0.0108 0.0087 0.0003 298 MET 17 HE2 -0.0116 0.0099 0.0031 299 MET 17 HE3 -0.0132 0.0093 -0.0001 300 ASP 18 N -0.0104 0.0025 -0.0009 301 ASP 18 CA -0.0106 0.0016 -0.0015 302 ASP 18 C -0.0102 -0.0024 -0.0024 303 ASP 18 O -0.0082 -0.0044 -0.0006 304 ASP 18 CB -0.0091 0.0033 0.0009 305 ASP 18 CG -0.0097 0.0031 0.0001 306 ASP 18 OD1 -0.0118 0.0028 -0.0026 307 ASP 18 OD2 -0.0082 0.0033 0.0020 308 ASP 18 H -0.0089 0.0035 0.0012 309 ASP 18 HA -0.0125 0.0028 -0.0034 310 ASP 18 HB3 -0.0072 0.0019 0.0028 311 ASP 18 HB2 -0.0092 0.0061 0.0017 312 GLY 19 N -0.0061 0.0017 -0.0182 313 GLY 19 CA -0.0018 -0.0003 -0.0235 314 GLY 19 C 0.0042 -0.0029 -0.0226 315 GLY 19 O 0.0085 -0.0048 -0.0266 316 GLY 19 H -0.0094 0.0031 -0.0189 317 GLY 19 HA3 -0.0010 -0.0007 -0.0242 318 GLY 19 HA2 -0.0039 0.0005 -0.0283 319 TYR 20 N -0.0007 -0.0000 -0.0235 320 TYR 20 CA 0.0034 -0.0008 -0.0223 321 TYR 20 C 0.0024 -0.0022 -0.0264 322 TYR 20 O -0.0020 -0.0011 -0.0272 323 TYR 20 CB 0.0027 0.0016 -0.0169 324 TYR 20 CG 0.0074 0.0008 -0.0152 325 TYR 20 CD1 0.0122 0.0002 -0.0129 326 TYR 20 CD2 0.0070 0.0006 -0.0161 327 TYR 20 CE1 0.0165 -0.0005 -0.0115 328 TYR 20 CE2 0.0112 -0.0002 -0.0149 329 TYR 20 CZ 0.0160 -0.0008 -0.0126 330 TYR 20 OH 0.0203 -0.0016 -0.0112 331 TYR 20 H -0.0035 0.0018 -0.0210 332 TYR 20 HA 0.0074 -0.0021 -0.0224 333 TYR 20 HB3 -0.0010 0.0026 -0.0170 334 TYR 20 HB2 0.0027 0.0027 -0.0140 335 TYR 20 HD1 0.0127 0.0003 -0.0122 336 TYR 20 HD2 0.0032 0.0010 -0.0178 337 TYR 20 HE1 0.0202 -0.0009 -0.0095 338 TYR 20 HE2 0.0108 -0.0004 -0.0157 339 TYR 20 HH 0.0232 -0.0018 -0.0094 340 ARG 21 N 0.0115 -0.0068 -0.0342 341 ARG 21 CA 0.0107 -0.0094 -0.0412 342 ARG 21 C 0.0028 -0.0099 -0.0479 343 ARG 21 O -0.0016 -0.0103 -0.0521 344 ARG 21 CB 0.0105 -0.0079 -0.0378 345 ARG 21 CG 0.0196 -0.0088 -0.0332 346 ARG 21 CD 0.0247 -0.0128 -0.0393 347 ARG 21 NE 0.0195 -0.0121 -0.0414 348 ARG 21 CZ 0.0195 -0.0153 -0.0489 349 ARG 21 NH1 0.0263 -0.0192 -0.0537 350 ARG 21 NH2 0.0127 -0.0144 -0.0517 351 ARG 21 H 0.0176 -0.0080 -0.0327 352 ARG 21 HA 0.0168 -0.0126 -0.0445 353 ARG 21 HB3 0.0084 -0.0095 -0.0431 354 ARG 21 HB2 0.0054 -0.0046 -0.0332 355 ARG 21 HG3 0.0185 -0.0061 -0.0275 356 ARG 21 HG2 0.0236 -0.0091 -0.0311 357 ARG 21 HD3 0.0314 -0.0135 -0.0361 358 ARG 21 HD2 0.0252 -0.0155 -0.0453 359 ARG 21 HE 0.0159 -0.0092 -0.0368 360 ARG 21 HH12 0.0264 -0.0216 -0.0594 361 ARG 21 HH11 0.0314 -0.0199 -0.0515 362 ARG 21 HH22 0.0127 -0.0167 -0.0575 363 ARG 21 HH21 0.0076 -0.0113 -0.0481 364 GLY 22 N 0.0098 -0.0106 -0.0455 365 GLY 22 CA 0.0056 -0.0094 -0.0495 366 GLY 22 C 0.0001 -0.0066 -0.0483 367 GLY 22 O -0.0035 -0.0056 -0.0520 368 GLY 22 H 0.0113 -0.0107 -0.0427 369 GLY 22 HA3 0.0063 -0.0106 -0.0537 370 GLY 22 HA2 0.0060 -0.0098 -0.0503 371 ILE 23 N -0.0056 -0.0027 -0.0279 372 ILE 23 CA -0.0093 -0.0015 -0.0265 373 ILE 23 C -0.0106 -0.0006 -0.0249 374 ILE 23 O -0.0088 0.0000 -0.0222 375 ILE 23 CB -0.0092 -0.0004 -0.0235 376 ILE 23 CG1 -0.0077 -0.0012 -0.0250 377 ILE 23 CG2 -0.0131 0.0010 -0.0220 378 ILE 23 CD1 -0.0065 -0.0003 -0.0219 379 ILE 23 H -0.0033 -0.0025 -0.0261 380 ILE 23 HA -0.0114 -0.0019 -0.0287 381 ILE 23 HB -0.0072 0.0001 -0.0212 382 ILE 23 HG13 -0.0052 -0.0023 -0.0266 383 ILE 23 HG12 -0.0099 -0.0015 -0.0268 384 ILE 23 HG21 -0.0130 0.0017 -0.0199 385 ILE 23 HG22 -0.0140 0.0016 -0.0209 386 ILE 23 HG23 -0.0152 0.0005 -0.0242 387 ILE 23 HD11 -0.0055 -0.0009 -0.0230 388 ILE 23 HD12 -0.0043 -0.0001 -0.0200 389 ILE 23 HD13 -0.0090 0.0008 -0.0203 390 SER 24 N -0.0087 0.0032 -0.0199 391 SER 24 CA -0.0109 0.0033 -0.0192 392 SER 24 C -0.0118 0.0028 -0.0169 393 SER 24 O -0.0113 0.0024 -0.0160 394 SER 24 CB -0.0128 0.0042 -0.0209 395 SER 24 OG -0.0135 0.0042 -0.0207 396 SER 24 H -0.0088 0.0036 -0.0212 397 SER 24 HA -0.0106 0.0033 -0.0191 398 SER 24 HB3 -0.0122 0.0046 -0.0226 399 SER 24 HB2 -0.0144 0.0043 -0.0204 400 SER 24 HG -0.0149 0.0047 -0.0215 401 LEU 25 N -0.0112 -0.0016 -0.0053 402 LEU 25 CA -0.0117 0.0010 -0.0039 403 LEU 25 C -0.0141 0.0032 -0.0055 404 LEU 25 O -0.0150 0.0047 -0.0056 405 LEU 25 CB -0.0104 0.0021 -0.0011 406 LEU 25 CG -0.0105 0.0045 0.0009 407 LEU 25 CD1 -0.0099 0.0040 0.0014 408 LEU 25 CD2 -0.0091 0.0053 0.0036 409 LEU 25 H -0.0101 -0.0024 -0.0044 410 LEU 25 HA -0.0113 0.0006 -0.0036 411 LEU 25 HB3 -0.0109 0.0026 -0.0013 412 LEU 25 HB2 -0.0088 0.0003 -0.0002 413 LEU 25 HG -0.0121 0.0064 0.0001 414 LEU 25 HD11 -0.0100 0.0059 0.0029 415 LEU 25 HD12 -0.0110 0.0037 -0.0005 416 LEU 25 HD13 -0.0083 0.0022 0.0022 417 LEU 25 HD21 -0.0092 0.0071 0.0050 418 LEU 25 HD22 -0.0075 0.0035 0.0044 419 LEU 25 HD23 -0.0097 0.0059 0.0032 420 ALA 26 N -0.0130 -0.0019 -0.0081 421 ALA 26 CA -0.0126 -0.0020 -0.0080 422 ALA 26 C -0.0111 -0.0022 -0.0078 423 ALA 26 O -0.0107 -0.0029 -0.0075 424 ALA 26 CB -0.0130 -0.0009 -0.0085 425 ALA 26 H -0.0133 -0.0011 -0.0085 426 ALA 26 HA -0.0131 -0.0028 -0.0077 427 ALA 26 HB1 -0.0127 -0.0011 -0.0085 428 ALA 26 HB2 -0.0141 -0.0008 -0.0087 429 ALA 26 HB3 -0.0125 -0.0001 -0.0089 430 ASN 27 N -0.0105 -0.0030 -0.0123 431 ASN 27 CA -0.0090 -0.0029 -0.0112 432 ASN 27 C -0.0084 -0.0036 -0.0095 433 ASN 27 O -0.0080 -0.0042 -0.0082 434 ASN 27 CB -0.0076 -0.0015 -0.0121 435 ASN 27 CG -0.0078 -0.0009 -0.0131 436 ASN 27 OD1 -0.0077 -0.0013 -0.0125 437 ASN 27 ND2 -0.0081 0.0000 -0.0147 438 ASN 27 H -0.0105 -0.0023 -0.0133 439 ASN 27 HA -0.0094 -0.0032 -0.0110 440 ASN 27 HB3 -0.0064 -0.0013 -0.0112 441 ASN 27 HB2 -0.0077 -0.0010 -0.0129 442 ASN 27 HD22 -0.0082 0.0004 -0.0155 443 ASN 27 HD21 -0.0082 0.0003 -0.0152 444 TRP 28 N -0.0114 0.0017 -0.0074 445 TRP 28 CA -0.0112 0.0020 -0.0068 446 TRP 28 C -0.0118 0.0011 -0.0063 447 TRP 28 O -0.0118 0.0011 -0.0054 448 TRP 28 CB -0.0109 0.0026 -0.0074 449 TRP 28 CG -0.0103 0.0035 -0.0077 450 TRP 28 CD1 -0.0101 0.0039 -0.0087 451 TRP 28 CD2 -0.0098 0.0043 -0.0069 452 TRP 28 NE1 -0.0095 0.0048 -0.0086 453 TRP 28 CE2 -0.0093 0.0051 -0.0076 454 TRP 28 CE3 -0.0098 0.0044 -0.0058 455 TRP 28 CZ2 -0.0088 0.0059 -0.0071 456 TRP 28 CZ3 -0.0093 0.0052 -0.0053 457 TRP 28 CH2 -0.0088 0.0060 -0.0060 458 TRP 28 H -0.0113 0.0019 -0.0082 459 TRP 28 HA -0.0110 0.0024 -0.0061 460 TRP 28 HB3 -0.0109 0.0026 -0.0070 461 TRP 28 HB2 -0.0111 0.0022 -0.0081 462 TRP 28 HD1 -0.0103 0.0034 -0.0094 463 TRP 28 HE1 -0.0093 0.0052 -0.0093 464 TRP 28 HE3 -0.0101 0.0038 -0.0053 465 TRP 28 HZ2 -0.0084 0.0065 -0.0076 466 TRP 28 HZ3 -0.0092 0.0053 -0.0045 467 TRP 28 HH2 -0.0084 0.0066 -0.0056 468 MET 29 N -0.0068 -0.0015 -0.0019 469 MET 29 CA -0.0063 -0.0009 -0.0022 470 MET 29 C -0.0064 -0.0007 -0.0026 471 MET 29 O -0.0064 -0.0003 -0.0031 472 MET 29 CB -0.0057 -0.0007 -0.0017 473 MET 29 CG -0.0055 -0.0008 -0.0013 474 MET 29 SD -0.0054 -0.0004 -0.0018 475 MET 29 CE -0.0048 0.0003 -0.0020 476 MET 29 H -0.0066 -0.0017 -0.0014 477 MET 29 HA -0.0064 -0.0008 -0.0025 478 MET 29 HB3 -0.0054 -0.0003 -0.0019 479 MET 29 HB2 -0.0057 -0.0010 -0.0013 480 MET 29 HG3 -0.0051 -0.0007 -0.0009 481 MET 29 HG2 -0.0059 -0.0012 -0.0011 482 MET 29 HE1 -0.0047 0.0006 -0.0023 483 MET 29 HE2 -0.0045 0.0003 -0.0015 484 MET 29 HE3 -0.0050 0.0003 -0.0022 485 CYS 30 N -0.0036 -0.0097 -0.0052 486 CYS 30 CA -0.0020 -0.0104 -0.0030 487 CYS 30 C 0.0001 -0.0104 -0.0008 488 CYS 30 O 0.0009 -0.0125 0.0011 489 CYS 30 CB -0.0014 -0.0082 -0.0035 490 CYS 30 SG 0.0003 -0.0090 -0.0011 491 CYS 30 H -0.0040 -0.0078 -0.0065 492 CYS 30 HA -0.0028 -0.0127 -0.0028 493 CYS 30 HB3 -0.0006 -0.0059 -0.0036 494 CYS 30 HB2 -0.0029 -0.0080 -0.0052 495 LEU 31 N -0.0015 -0.0059 -0.0012 496 LEU 31 CA -0.0013 -0.0050 -0.0001 497 LEU 31 C -0.0013 -0.0063 -0.0008 498 LEU 31 O -0.0007 -0.0070 0.0006 499 LEU 31 CB -0.0020 -0.0025 -0.0005 500 LEU 31 CG -0.0019 -0.0013 0.0005 501 LEU 31 CD1 -0.0012 -0.0011 0.0029 502 LEU 31 CD2 -0.0027 0.0009 -0.0006 503 LEU 31 H -0.0020 -0.0049 -0.0022 504 LEU 31 HA -0.0008 -0.0051 0.0017 505 LEU 31 HB3 -0.0025 -0.0023 -0.0023 506 LEU 31 HB2 -0.0020 -0.0016 0.0000 507 LEU 31 HG -0.0018 -0.0024 0.0000 508 LEU 31 HD11 -0.0012 -0.0003 0.0036 509 LEU 31 HD12 -0.0007 -0.0028 0.0036 510 LEU 31 HD13 -0.0013 -0.0001 0.0035 511 LEU 31 HD21 -0.0026 0.0018 0.0002 512 LEU 31 HD22 -0.0028 0.0020 -0.0003 513 LEU 31 HD23 -0.0032 0.0007 -0.0023 514 ALA 32 N 0.0008 0.0004 0.0051 515 ALA 32 CA 0.0008 -0.0001 0.0047 516 ALA 32 C 0.0008 -0.0024 0.0055 517 ALA 32 O 0.0008 -0.0027 0.0064 518 ALA 32 CB 0.0007 0.0002 0.0024 519 ALA 32 H 0.0008 0.0007 0.0038 520 ALA 32 HA 0.0008 0.0010 0.0056 521 ALA 32 HB1 0.0007 -0.0002 0.0021 522 ALA 32 HB2 0.0007 0.0018 0.0019 523 ALA 32 HB3 0.0007 -0.0009 0.0014 524 LYS 33 N 0.0026 -0.0077 0.0036 525 LYS 33 CA 0.0034 -0.0140 0.0053 526 LYS 33 C 0.0043 -0.0145 0.0120 527 LYS 33 O 0.0048 -0.0176 0.0136 528 LYS 33 CB 0.0035 -0.0174 0.0041 529 LYS 33 CG 0.0041 -0.0244 0.0044 530 LYS 33 CD 0.0051 -0.0270 0.0101 531 LYS 33 CE 0.0058 -0.0336 0.0109 532 LYS 33 NZ 0.0053 -0.0368 0.0050 533 LYS 33 H 0.0022 -0.0062 0.0019 534 LYS 33 HA 0.0032 -0.0162 0.0026 535 LYS 33 HB3 0.0038 -0.0160 0.0075 536 LYS 33 HB2 0.0028 -0.0162 -0.0003 537 LYS 33 HG3 0.0038 -0.0266 0.0008 538 LYS 33 HG2 0.0041 -0.0254 0.0035 539 LYS 33 HD3 0.0054 -0.0243 0.0138 540 LYS 33 HD2 0.0052 -0.0267 0.0106 541 LYS 33 HE3 0.0061 -0.0337 0.0132 542 LYS 33 HE2 0.0064 -0.0359 0.0137 543 LYS 33 HZ1 0.0049 -0.0356 0.0029 544 LYS 33 HZ2 0.0048 -0.0357 0.0024 545 LYS 33 HZ3 0.0057 -0.0413 0.0056 546 TRP 34 N 0.0043 -0.0210 0.0051 547 TRP 34 CA 0.0068 -0.0218 0.0132 548 TRP 34 C 0.0078 -0.0183 0.0167 549 TRP 34 O 0.0097 -0.0207 0.0229 550 TRP 34 CB 0.0079 -0.0194 0.0169 551 TRP 34 CG 0.0072 -0.0249 0.0144 552 TRP 34 CD1 0.0057 -0.0233 0.0094 553 TRP 34 CD2 0.0079 -0.0329 0.0165 554 TRP 34 NE1 0.0054 -0.0298 0.0084 555 TRP 34 CE2 0.0068 -0.0359 0.0127 556 TRP 34 CE3 0.0094 -0.0378 0.0214 557 TRP 34 CZ2 0.0071 -0.0435 0.0135 558 TRP 34 CZ3 0.0097 -0.0455 0.0221 559 TRP 34 CH2 0.0086 -0.0483 0.0182 560 TRP 34 H 0.0036 -0.0169 0.0027 561 TRP 34 HA 0.0072 -0.0281 0.0142 562 TRP 34 HB3 0.0097 -0.0196 0.0230 563 TRP 34 HB2 0.0073 -0.0134 0.0152 564 TRP 34 HD1 0.0049 -0.0176 0.0069 565 TRP 34 HE1 0.0044 -0.0297 0.0048 566 TRP 34 HE3 0.0103 -0.0356 0.0245 567 TRP 34 HZ2 0.0062 -0.0454 0.0104 568 TRP 34 HZ3 0.0108 -0.0496 0.0258 569 TRP 34 HH2 0.0089 -0.0543 0.0190 570 GLU 35 N 0.0032 -0.0058 0.0115 571 GLU 35 CA 0.0031 -0.0037 0.0127 572 GLU 35 C 0.0031 -0.0032 0.0131 573 GLU 35 O 0.0023 -0.0024 0.0147 574 GLU 35 CB 0.0042 -0.0019 0.0118 575 GLU 35 CG 0.0042 -0.0018 0.0119 576 GLU 35 CD 0.0031 -0.0013 0.0139 577 GLU 35 OE1 0.0024 -0.0007 0.0153 578 GLU 35 OE2 0.0029 -0.0015 0.0141 579 GLU 35 H 0.0041 -0.0058 0.0101 580 GLU 35 HA 0.0023 -0.0037 0.0141 581 GLU 35 HB3 0.0043 -0.0003 0.0125 582 GLU 35 HB2 0.0051 -0.0020 0.0103 583 GLU 35 HG3 0.0051 -0.0007 0.0110 584 GLU 35 HG2 0.0041 -0.0034 0.0112 585 SER 36 N 0.0079 -0.0003 0.0169 586 SER 36 CA 0.0082 -0.0004 0.0155 587 SER 36 C 0.0090 -0.0035 0.0137 588 SER 36 O 0.0092 -0.0037 0.0125 589 SER 36 CB 0.0083 0.0028 0.0132 590 SER 36 OG 0.0089 0.0023 0.0103 591 SER 36 H 0.0083 -0.0011 0.0154 592 SER 36 HA 0.0077 -0.0001 0.0176 593 SER 36 HB3 0.0077 0.0050 0.0145 594 SER 36 HB2 0.0084 0.0030 0.0125 595 SER 36 HG 0.0088 0.0037 0.0104 596 GLY 37 N 0.0087 -0.0070 0.0136 597 GLY 37 CA 0.0102 -0.0096 0.0114 598 GLY 37 C 0.0132 -0.0074 0.0081 599 GLY 37 O 0.0143 -0.0078 0.0067 600 GLY 37 H 0.0081 -0.0083 0.0141 601 GLY 37 HA3 0.0089 -0.0099 0.0129 602 GLY 37 HA2 0.0103 -0.0129 0.0108 603 TYR 38 N 0.0067 -0.0006 0.0067 604 TYR 38 CA 0.0081 0.0005 0.0050 605 TYR 38 C 0.0084 0.0021 0.0061 606 TYR 38 O 0.0092 0.0024 0.0049 607 TYR 38 CB 0.0081 -0.0013 0.0028 608 TYR 38 CG 0.0076 -0.0031 0.0015 609 TYR 38 CD1 0.0082 -0.0025 0.0009 610 TYR 38 CD2 0.0067 -0.0054 0.0007 611 TYR 38 CE1 0.0078 -0.0042 -0.0003 612 TYR 38 CE2 0.0064 -0.0071 -0.0006 613 TYR 38 CZ 0.0069 -0.0065 -0.0011 614 TYR 38 OH 0.0065 -0.0081 -0.0023 615 TYR 38 H 0.0068 -0.0000 0.0071 616 TYR 38 HA 0.0090 0.0017 0.0043 617 TYR 38 HB3 0.0092 -0.0003 0.0014 618 TYR 38 HB2 0.0073 -0.0022 0.0033 619 TYR 38 HD1 0.0090 -0.0007 0.0014 620 TYR 38 HD2 0.0063 -0.0059 0.0010 621 TYR 38 HE1 0.0082 -0.0037 -0.0006 622 TYR 38 HE2 0.0057 -0.0089 -0.0012 623 TYR 38 HH 0.0069 -0.0074 -0.0022 624 ASN 39 N 0.0115 0.0006 0.0063 625 ASN 39 CA 0.0113 0.0006 0.0051 626 ASN 39 C 0.0099 0.0042 0.0053 627 ASN 39 O 0.0096 0.0058 0.0083 628 ASN 39 CB 0.0127 -0.0017 0.0076 629 ASN 39 CG 0.0126 -0.0019 0.0067 630 ASN 39 OD1 0.0117 -0.0008 0.0038 631 ASN 39 ND2 0.0136 -0.0034 0.0092 632 ASN 39 H 0.0117 0.0011 0.0091 633 ASN 39 HA 0.0114 -0.0004 0.0022 634 ASN 39 HB3 0.0127 -0.0008 0.0105 635 ASN 39 HB2 0.0137 -0.0043 0.0075 636 ASN 39 HD22 0.0136 -0.0037 0.0088 637 ASN 39 HD21 0.0143 -0.0043 0.0115 638 THR 40 N 0.0096 0.0038 0.0036 639 THR 40 CA 0.0075 0.0066 0.0031 640 THR 40 C 0.0083 0.0062 0.0041 641 THR 40 O 0.0069 0.0089 0.0047 642 THR 40 CB 0.0049 0.0074 -0.0008 643 THR 40 OG1 0.0054 0.0045 -0.0036 644 THR 40 CG2 0.0039 0.0082 -0.0019 645 THR 40 H 0.0094 0.0021 0.0012 646 THR 40 HA 0.0070 0.0091 0.0052 647 THR 40 HB 0.0034 0.0098 -0.0008 648 THR 40 HG1 0.0038 0.0054 -0.0055 649 THR 40 HG21 0.0020 0.0087 -0.0047 650 THR 40 HG22 0.0035 0.0106 0.0002 651 THR 40 HG23 0.0054 0.0058 -0.0019 652 ARG 41 N 0.0141 0.0035 -0.0014 653 ARG 41 CA 0.0148 0.0044 0.0060 654 ARG 41 C 0.0145 0.0039 0.0106 655 ARG 41 O 0.0151 0.0047 0.0169 656 ARG 41 CB 0.0113 -0.0005 0.0082 657 ARG 41 CG 0.0125 0.0011 0.0137 658 ARG 41 CD 0.0088 -0.0040 0.0163 659 ARG 41 NE 0.0083 -0.0047 0.0239 660 ARG 41 CZ 0.0108 -0.0014 0.0286 661 ARG 41 NH1 0.0126 0.0012 0.0275 662 ARG 41 NH2 0.0114 -0.0006 0.0348 663 ARG 41 H 0.0112 -0.0005 -0.0031 664 ARG 41 HA 0.0178 0.0085 0.0067 665 ARG 41 HB3 0.0087 -0.0041 0.0101 666 ARG 41 HB2 0.0101 -0.0021 0.0036 667 ARG 41 HG3 0.0148 0.0043 0.0115 668 ARG 41 HG2 0.0139 0.0031 0.0181 669 ARG 41 HD3 0.0060 -0.0078 0.0137 670 ARG 41 HD2 0.0092 -0.0035 0.0149 671 ARG 41 HE 0.0059 -0.0081 0.0253 672 ARG 41 HH12 0.0145 0.0037 0.0313 673 ARG 41 HH11 0.0122 0.0006 0.0230 674 ARG 41 HH22 0.0132 0.0019 0.0384 675 ARG 41 HH21 0.0100 -0.0026 0.0358 676 ALA 42 N 0.0111 0.0037 0.0104 677 ALA 42 CA 0.0122 0.0038 0.0121 678 ALA 42 C 0.0118 0.0050 0.0129 679 ALA 42 O 0.0107 0.0063 0.0128 680 ALA 42 CB 0.0125 0.0043 0.0132 681 ALA 42 H 0.0107 0.0040 0.0101 682 ALA 42 HA 0.0131 0.0026 0.0122 683 ALA 42 HB1 0.0133 0.0044 0.0145 684 ALA 42 HB2 0.0128 0.0034 0.0127 685 ALA 42 HB3 0.0116 0.0055 0.0132 686 THR 43 N 0.0209 0.0030 0.0081 687 THR 43 CA 0.0200 0.0028 0.0079 688 THR 43 C 0.0226 0.0033 0.0084 689 THR 43 O 0.0250 0.0032 0.0078 690 THR 43 CB 0.0192 0.0011 0.0055 691 THR 43 OG1 0.0215 0.0003 0.0039 692 THR 43 CG2 0.0166 0.0004 0.0048 693 THR 43 H 0.0227 0.0027 0.0074 694 THR 43 HA 0.0183 0.0034 0.0092 695 THR 43 HB 0.0187 0.0010 0.0054 696 THR 43 HG1 0.0231 0.0007 0.0043 697 THR 43 HG21 0.0161 -0.0008 0.0030 698 THR 43 HG22 0.0149 0.0010 0.0060 699 THR 43 HG23 0.0171 0.0005 0.0048 700 ASN 44 N 0.0259 0.0003 0.0042 701 ASN 44 CA 0.0285 0.0004 0.0062 702 ASN 44 C 0.0227 0.0002 0.0051 703 ASN 44 O 0.0172 0.0002 0.0081 704 ASN 44 CB 0.0306 0.0008 0.0138 705 ASN 44 CG 0.0327 0.0010 0.0167 706 ASN 44 OD1 0.0372 0.0010 0.0138 707 ASN 44 ND2 0.0295 0.0012 0.0223 708 ASN 44 H 0.0210 0.0002 0.0054 709 ASN 44 HA 0.0329 0.0004 0.0030 710 ASN 44 HB3 0.0263 0.0009 0.0168 711 ASN 44 HB2 0.0347 0.0010 0.0145 712 ASN 44 HD22 0.0308 0.0013 0.0244 713 ASN 44 HD21 0.0258 0.0012 0.0245 714 TYR 45 N 0.0205 -0.0055 0.0019 715 TYR 45 CA 0.0153 -0.0048 0.0014 716 TYR 45 C 0.0102 -0.0095 0.0017 717 TYR 45 O 0.0087 -0.0099 0.0017 718 TYR 45 CB 0.0128 0.0016 0.0003 719 TYR 45 CG 0.0073 0.0027 -0.0003 720 TYR 45 CD1 0.0076 0.0021 -0.0002 721 TYR 45 CD2 0.0016 0.0044 -0.0010 722 TYR 45 CE1 0.0024 0.0030 -0.0007 723 TYR 45 CE2 -0.0035 0.0053 -0.0015 724 TYR 45 CZ -0.0030 0.0047 -0.0014 725 TYR 45 OH -0.0082 0.0056 -0.0019 726 TYR 45 H 0.0207 -0.0028 0.0015 727 TYR 45 HA 0.0168 -0.0058 0.0017 728 TYR 45 HB3 0.0116 0.0027 0.0000 729 TYR 45 HB2 0.0165 0.0049 0.0001 730 TYR 45 HD1 0.0119 0.0008 0.0003 731 TYR 45 HD2 0.0013 0.0049 -0.0011 732 TYR 45 HE1 0.0027 0.0023 -0.0006 733 TYR 45 HE2 -0.0079 0.0065 -0.0020 734 TYR 45 HH -0.0076 0.0036 -0.0015 735 ASN 46 N 0.0027 -0.0067 0.0023 736 ASN 46 CA -0.0001 -0.0091 0.0035 737 ASN 46 C -0.0039 -0.0074 0.0025 738 ASN 46 O -0.0057 -0.0072 0.0023 739 ASN 46 CB -0.0002 -0.0120 0.0051 740 ASN 46 CG 0.0035 -0.0137 0.0061 741 ASN 46 OD1 0.0050 -0.0149 0.0068 742 ASN 46 ND2 0.0054 -0.0135 0.0061 743 ASN 46 H 0.0027 -0.0063 0.0021 744 ASN 46 HA 0.0007 -0.0098 0.0039 745 ASN 46 HB3 -0.0022 -0.0138 0.0060 746 ASN 46 HB2 -0.0010 -0.0113 0.0047 747 ASN 46 HD22 0.0078 -0.0146 0.0067 748 ASN 46 HD21 0.0042 -0.0124 0.0054 749 ALA 47 N -0.0301 -0.0190 0.0043 750 ALA 47 CA -0.0395 -0.0091 0.0150 751 ALA 47 C -0.0407 -0.0159 0.0094 752 ALA 47 O -0.0398 -0.0072 0.0167 753 ALA 47 CB -0.0607 -0.0078 0.0211 754 ALA 47 H -0.0383 -0.0232 0.0025 755 ALA 47 HA -0.0306 0.0025 0.0229 756 ALA 47 HB1 -0.0680 -0.0006 0.0291 757 ALA 47 HB2 -0.0595 -0.0026 0.0253 758 ALA 47 HB3 -0.0695 -0.0194 0.0131 759 GLY 48 N -0.0464 -0.0219 0.0049 760 GLY 48 CA -0.0467 -0.0281 -0.0015 761 GLY 48 C -0.0255 -0.0221 -0.0027 762 GLY 48 O -0.0258 -0.0181 0.0016 763 GLY 48 H -0.0484 -0.0298 -0.0027 764 GLY 48 HA3 -0.0510 -0.0415 -0.0140 765 GLY 48 HA2 -0.0605 -0.0250 0.0066 766 ASP 49 N -0.0079 -0.0112 -0.0012 767 ASP 49 CA -0.0041 -0.0102 -0.0016 768 ASP 49 C -0.0021 -0.0090 0.0007 769 ASP 49 O 0.0012 -0.0081 0.0004 770 ASP 49 CB -0.0028 -0.0111 -0.0055 771 ASP 49 CG -0.0028 -0.0116 -0.0070 772 ASP 49 OD1 -0.0040 -0.0113 -0.0052 773 ASP 49 OD2 -0.0011 -0.0121 -0.0100 774 ASP 49 H -0.0091 -0.0116 -0.0017 775 ASP 49 HA -0.0034 -0.0098 -0.0009 776 ASP 49 HB3 -0.0045 -0.0121 -0.0071 777 ASP 49 HB2 -0.0002 -0.0106 -0.0060 778 ARG 50 N -0.0048 -0.0107 0.0017 779 ARG 50 CA -0.0049 -0.0121 0.0042 780 ARG 50 C -0.0072 -0.0105 -0.0031 781 ARG 50 O -0.0061 -0.0099 -0.0021 782 ARG 50 CB 0.0019 -0.0089 0.0108 783 ARG 50 CG 0.0028 -0.0127 0.0197 784 ARG 50 CD 0.0099 -0.0091 0.0260 785 ARG 50 NE 0.0138 -0.0066 0.0287 786 ARG 50 CZ 0.0196 -0.0043 0.0351 787 ARG 50 NH1 0.0204 -0.0074 0.0424 788 ARG 50 NH2 0.0242 0.0007 0.0345 789 ARG 50 H -0.0084 -0.0149 0.0028 790 ARG 50 HA -0.0088 -0.0177 0.0074 791 ARG 50 HB3 0.0022 -0.0089 0.0114 792 ARG 50 HB2 0.0061 -0.0035 0.0087 793 ARG 50 HG3 0.0022 -0.0130 0.0191 794 ARG 50 HG2 -0.0011 -0.0179 0.0220 795 ARG 50 HD3 0.0093 -0.0126 0.0316 796 ARG 50 HD2 0.0126 -0.0047 0.0230 797 ARG 50 HE 0.0117 -0.0067 0.0250 798 ARG 50 HH12 0.0248 -0.0057 0.0474 799 ARG 50 HH11 0.0166 -0.0114 0.0428 800 ARG 50 HH22 0.0287 0.0025 0.0394 801 ARG 50 HH21 0.0233 0.0027 0.0291 802 SER 51 N 0.0015 -0.0056 -0.0006 803 SER 51 CA 0.0026 -0.0058 -0.0009 804 SER 51 C 0.0037 -0.0060 -0.0013 805 SER 51 O 0.0036 -0.0062 -0.0011 806 SER 51 CB 0.0027 -0.0069 -0.0005 807 SER 51 OG 0.0029 -0.0079 -0.0001 808 SER 51 H 0.0012 -0.0064 -0.0001 809 SER 51 HA 0.0027 -0.0050 -0.0013 810 SER 51 HB3 0.0018 -0.0068 -0.0002 811 SER 51 HB2 0.0034 -0.0069 -0.0008 812 SER 51 HG 0.0021 -0.0081 0.0003 813 THR 52 N 0.0060 -0.0012 0.0011 814 THR 52 CA 0.0088 -0.0001 0.0012 815 THR 52 C 0.0087 0.0001 0.0049 816 THR 52 O 0.0058 -0.0009 0.0063 817 THR 52 CB 0.0086 -0.0005 -0.0018 818 THR 52 OG1 0.0088 -0.0007 -0.0051 819 THR 52 CG2 0.0113 0.0006 -0.0018 820 THR 52 H 0.0037 -0.0021 0.0017 821 THR 52 HA 0.0112 0.0008 0.0010 822 THR 52 HB 0.0062 -0.0014 -0.0015 823 THR 52 HG1 0.0078 -0.0010 -0.0048 824 THR 52 HG21 0.0110 0.0003 -0.0041 825 THR 52 HG22 0.0112 0.0008 0.0007 826 THR 52 HG23 0.0137 0.0016 -0.0022 827 ASP 53 N 0.0084 0.0026 0.0094 828 ASP 53 CA 0.0082 0.0032 0.0117 829 ASP 53 C 0.0087 0.0029 0.0103 830 ASP 53 O 0.0108 0.0028 0.0084 831 ASP 53 CB 0.0107 0.0042 0.0139 832 ASP 53 CG 0.0105 0.0045 0.0153 833 ASP 53 OD1 0.0080 0.0043 0.0163 834 ASP 53 OD2 0.0128 0.0050 0.0154 835 ASP 53 H 0.0105 0.0028 0.0086 836 ASP 53 HA 0.0060 0.0030 0.0129 837 ASP 53 HB3 0.0105 0.0046 0.0157 838 ASP 53 HB2 0.0129 0.0043 0.0128 839 TYR 54 N 0.0057 0.0099 0.0107 840 TYR 54 CA 0.0053 0.0096 0.0107 841 TYR 54 C 0.0052 0.0111 0.0142 842 TYR 54 O 0.0036 0.0110 0.0170 843 TYR 54 CB 0.0022 0.0069 0.0099 844 TYR 54 CG 0.0020 0.0052 0.0062 845 TYR 54 CD1 0.0011 0.0041 0.0053 846 TYR 54 CD2 0.0025 0.0045 0.0036 847 TYR 54 CE1 0.0009 0.0025 0.0019 848 TYR 54 CE2 0.0024 0.0030 0.0002 849 TYR 54 CZ 0.0015 0.0019 -0.0006 850 TYR 54 OH 0.0013 0.0003 -0.0041 851 TYR 54 H 0.0042 0.0095 0.0124 852 TYR 54 HA 0.0071 0.0101 0.0087 853 TYR 54 HB3 0.0016 0.0067 0.0104 854 TYR 54 HB2 0.0004 0.0063 0.0117 855 TYR 54 HD1 0.0006 0.0045 0.0072 856 TYR 54 HD2 0.0031 0.0052 0.0043 857 TYR 54 HE1 0.0002 0.0017 0.0012 858 TYR 54 HE2 0.0031 0.0026 -0.0019 859 TYR 54 HH 0.0003 -0.0005 -0.0042 860 GLY 55 N 0.0055 0.0103 0.0129 861 GLY 55 CA 0.0046 0.0103 0.0121 862 GLY 55 C 0.0054 0.0108 0.0133 863 GLY 55 O 0.0069 0.0108 0.0147 864 GLY 55 H 0.0065 0.0092 0.0126 865 GLY 55 HA3 0.0031 0.0111 0.0116 866 GLY 55 HA2 0.0048 0.0090 0.0108 867 ILE 56 N 0.0032 0.0109 0.0096 868 ILE 56 CA 0.0039 0.0098 0.0100 869 ILE 56 C 0.0040 0.0109 0.0124 870 ILE 56 O 0.0050 0.0097 0.0136 871 ILE 56 CB 0.0032 0.0097 0.0074 872 ILE 56 CG1 0.0041 0.0079 0.0074 873 ILE 56 CG2 0.0017 0.0122 0.0069 874 ILE 56 CD1 0.0037 0.0072 0.0046 875 ILE 56 H 0.0022 0.0117 0.0080 876 ILE 56 HA 0.0050 0.0079 0.0102 877 ILE 56 HB 0.0031 0.0090 0.0058 878 ILE 56 HG13 0.0053 0.0063 0.0081 879 ILE 56 HG12 0.0041 0.0087 0.0087 880 ILE 56 HG21 0.0012 0.0120 0.0051 881 ILE 56 HG22 0.0010 0.0133 0.0067 882 ILE 56 HG23 0.0017 0.0130 0.0086 883 ILE 56 HD11 0.0044 0.0060 0.0047 884 ILE 56 HD12 0.0038 0.0064 0.0033 885 ILE 56 HD13 0.0026 0.0088 0.0039 886 PHE 57 N -0.0025 0.0082 0.0112 887 PHE 57 CA -0.0018 0.0096 0.0117 888 PHE 57 C -0.0005 0.0098 0.0134 889 PHE 57 O 0.0002 0.0111 0.0141 890 PHE 57 CB -0.0022 0.0115 0.0109 891 PHE 57 CG -0.0034 0.0117 0.0092 892 PHE 57 CD1 -0.0039 0.0113 0.0086 893 PHE 57 CD2 -0.0041 0.0122 0.0081 894 PHE 57 CE1 -0.0050 0.0114 0.0071 895 PHE 57 CE2 -0.0053 0.0123 0.0065 896 PHE 57 CZ -0.0057 0.0120 0.0060 897 PHE 57 H -0.0026 0.0085 0.0110 898 PHE 57 HA -0.0020 0.0093 0.0116 899 PHE 57 HB3 -0.0016 0.0126 0.0114 900 PHE 57 HB2 -0.0020 0.0119 0.0110 901 PHE 57 HD1 -0.0033 0.0110 0.0095 902 PHE 57 HD2 -0.0038 0.0125 0.0085 903 PHE 57 HE1 -0.0053 0.0111 0.0067 904 PHE 57 HE2 -0.0058 0.0128 0.0057 905 PHE 57 HZ -0.0066 0.0120 0.0048 906 GLN 58 N 0.0039 0.0106 0.0165 907 GLN 58 CA 0.0045 0.0106 0.0173 908 GLN 58 C 0.0028 0.0121 0.0183 909 GLN 58 O 0.0032 0.0127 0.0202 910 GLN 58 CB 0.0065 0.0099 0.0188 911 GLN 58 CG 0.0082 0.0083 0.0176 912 GLN 58 CD 0.0086 0.0074 0.0162 913 GLN 58 OE1 0.0096 0.0071 0.0170 914 GLN 58 NE2 0.0076 0.0071 0.0141 915 GLN 58 H 0.0039 0.0098 0.0149 916 GLN 58 HA 0.0045 0.0099 0.0159 917 GLN 58 HB3 0.0068 0.0101 0.0197 918 GLN 58 HB2 0.0066 0.0105 0.0201 919 GLN 58 HG3 0.0096 0.0079 0.0188 920 GLN 58 HG2 0.0079 0.0080 0.0166 921 GLN 58 HE22 0.0078 0.0065 0.0131 922 GLN 58 HE21 0.0068 0.0074 0.0136 923 ILE 59 N -0.0032 0.0134 0.0138 924 ILE 59 CA -0.0039 0.0140 0.0140 925 ILE 59 C -0.0034 0.0133 0.0136 926 ILE 59 O -0.0032 0.0122 0.0128 927 ILE 59 CB -0.0056 0.0140 0.0137 928 ILE 59 CG1 -0.0062 0.0149 0.0143 929 ILE 59 CG2 -0.0064 0.0143 0.0138 930 ILE 59 CD1 -0.0076 0.0148 0.0140 931 ILE 59 H -0.0038 0.0129 0.0132 932 ILE 59 HA -0.0037 0.0149 0.0148 933 ILE 59 HB -0.0058 0.0131 0.0130 934 ILE 59 HG13 -0.0054 0.0148 0.0144 935 ILE 59 HG12 -0.0061 0.0158 0.0150 936 ILE 59 HG21 -0.0075 0.0143 0.0136 937 ILE 59 HG22 -0.0060 0.0136 0.0134 938 ILE 59 HG23 -0.0061 0.0151 0.0145 939 ILE 59 HD11 -0.0079 0.0154 0.0144 940 ILE 59 HD12 -0.0077 0.0139 0.0133 941 ILE 59 HD13 -0.0084 0.0149 0.0139 942 ASN 60 N -0.0045 0.0063 0.0092 943 ASN 60 CA -0.0033 0.0052 0.0078 944 ASN 60 C -0.0045 0.0035 0.0072 945 ASN 60 O -0.0061 0.0035 0.0080 946 ASN 60 CB -0.0019 0.0066 0.0081 947 ASN 60 CG -0.0003 0.0058 0.0068 948 ASN 60 OD1 -0.0006 0.0052 0.0065 949 ASN 60 ND2 0.0013 0.0057 0.0060 950 ASN 60 H -0.0049 0.0074 0.0101 951 ASN 60 HA -0.0023 0.0048 0.0071 952 ASN 60 HB3 -0.0028 0.0071 0.0089 953 ASN 60 HB2 -0.0011 0.0079 0.0086 954 ASN 60 HD22 0.0025 0.0052 0.0051 955 ASN 60 HD21 0.0015 0.0062 0.0062 956 SER 61 N -0.0025 0.0020 0.0039 957 SER 61 CA -0.0041 -0.0007 0.0026 958 SER 61 C -0.0042 -0.0015 0.0020 959 SER 61 O -0.0057 -0.0037 0.0011 960 SER 61 CB -0.0029 -0.0022 0.0001 961 SER 61 OG -0.0004 -0.0016 -0.0016 962 SER 61 H -0.0006 0.0026 0.0028 963 SER 61 HA -0.0061 -0.0012 0.0039 964 SER 61 HB3 -0.0027 -0.0015 0.0006 965 SER 61 HB2 -0.0043 -0.0042 -0.0007 966 SER 61 HG -0.0002 -0.0031 -0.0032 967 ARG 62 N -0.0025 -0.0024 -0.0016 968 ARG 62 CA 0.0001 -0.0026 -0.0028 969 ARG 62 C 0.0002 -0.0022 -0.0033 970 ARG 62 O 0.0020 -0.0032 -0.0033 971 ARG 62 CB 0.0012 -0.0012 -0.0047 972 ARG 62 CG 0.0039 -0.0013 -0.0060 973 ARG 62 CD 0.0053 -0.0008 -0.0073 974 ARG 62 NE 0.0066 -0.0027 -0.0062 975 ARG 62 CZ 0.0059 -0.0028 -0.0058 976 ARG 62 NH1 0.0041 -0.0011 -0.0064 977 ARG 62 NH2 0.0072 -0.0042 -0.0052 978 ARG 62 H -0.0036 -0.0010 -0.0023 979 ARG 62 HA 0.0012 -0.0042 -0.0019 980 ARG 62 HB3 -0.0001 0.0004 -0.0056 981 ARG 62 HB2 0.0012 -0.0016 -0.0044 982 ARG 62 HG3 0.0049 -0.0030 -0.0050 983 ARG 62 HG2 0.0037 -0.0003 -0.0070 984 ARG 62 HD3 0.0067 -0.0001 -0.0087 985 ARG 62 HD2 0.0040 0.0004 -0.0077 986 ARG 62 HE 0.0080 -0.0039 -0.0058 987 ARG 62 HH12 0.0035 -0.0010 -0.0061 988 ARG 62 HH11 0.0033 0.0002 -0.0072 989 ARG 62 HH22 0.0067 -0.0042 -0.0048 990 ARG 62 HH21 0.0089 -0.0053 -0.0050 991 TYR 63 N -0.0020 0.0023 -0.0000 992 TYR 63 CA -0.0023 0.0023 0.0003 993 TYR 63 C -0.0048 0.0013 0.0036 994 TYR 63 O -0.0045 0.0000 0.0042 995 TYR 63 CB -0.0029 0.0063 -0.0018 996 TYR 63 CG -0.0004 0.0075 -0.0052 997 TYR 63 CD1 0.0025 0.0059 -0.0072 998 TYR 63 CD2 -0.0010 0.0100 -0.0064 999 TYR 63 CE1 0.0048 0.0068 -0.0103 1000 TYR 63 CE2 0.0014 0.0110 -0.0095 1001 TYR 63 CZ 0.0042 0.0094 -0.0115 1002 TYR 63 OH 0.0066 0.0103 -0.0146 1003 TYR 63 H -0.0036 0.0044 0.0002 1004 TYR 63 HA -0.0001 0.0004 -0.0008 1005 TYR 63 HB3 -0.0030 0.0064 -0.0018 1006 TYR 63 HB2 -0.0052 0.0082 -0.0007 1007 TYR 63 HD1 0.0030 0.0038 -0.0063 1008 TYR 63 HD2 -0.0032 0.0112 -0.0048 1009 TYR 63 HE1 0.0071 0.0056 -0.0119 1010 TYR 63 HE2 0.0009 0.0130 -0.0104 1011 TYR 63 HH 0.0057 0.0128 -0.0154 1012 TRP 64 N -0.0046 0.0067 0.0073 1013 TRP 64 CA -0.0060 0.0067 0.0088 1014 TRP 64 C -0.0064 0.0052 0.0111 1015 TRP 64 O -0.0064 0.0043 0.0122 1016 TRP 64 CB -0.0081 0.0087 0.0084 1017 TRP 64 CG -0.0077 0.0102 0.0061 1018 TRP 64 CD1 -0.0080 0.0115 0.0047 1019 TRP 64 CD2 -0.0070 0.0105 0.0050 1020 TRP 64 NE1 -0.0074 0.0126 0.0027 1021 TRP 64 CE2 -0.0069 0.0121 0.0029 1022 TRP 64 CE3 -0.0066 0.0097 0.0055 1023 TRP 64 CZ2 -0.0062 0.0128 0.0013 1024 TRP 64 CZ3 -0.0059 0.0104 0.0040 1025 TRP 64 CH2 -0.0057 0.0119 0.0019 1026 TRP 64 H -0.0050 0.0069 0.0074 1027 TRP 64 HA -0.0053 0.0065 0.0083 1028 TRP 64 HB3 -0.0092 0.0087 0.0094 1029 TRP 64 HB2 -0.0089 0.0089 0.0089 1030 TRP 64 HD1 -0.0085 0.0115 0.0053 1031 TRP 64 HE1 -0.0075 0.0136 0.0015 1032 TRP 64 HE3 -0.0067 0.0085 0.0072 1033 TRP 64 HZ2 -0.0061 0.0139 -0.0003 1034 TRP 64 HZ3 -0.0055 0.0098 0.0043 1035 TRP 64 HH2 -0.0052 0.0124 0.0007 1036 CYS 65 N -0.0098 0.0017 0.0084 1037 CYS 65 CA -0.0108 -0.0003 0.0083 1038 CYS 65 C -0.0100 -0.0025 0.0044 1039 CYS 65 O -0.0083 -0.0016 0.0019 1040 CYS 65 CB -0.0101 0.0021 0.0095 1041 CYS 65 SG -0.0070 0.0053 0.0066 1042 CYS 65 H -0.0081 0.0035 0.0068 1043 CYS 65 HA -0.0126 -0.0022 0.0101 1044 CYS 65 HB3 -0.0107 0.0036 0.0123 1045 CYS 65 HB2 -0.0111 0.0004 0.0097 1046 ASN 66 N -0.0132 -0.0078 0.0035 1047 ASN 66 CA -0.0128 -0.0112 -0.0028 1048 ASN 66 C -0.0102 -0.0100 -0.0063 1049 ASN 66 O -0.0114 -0.0103 -0.0042 1050 ASN 66 CB -0.0175 -0.0173 -0.0029 1051 ASN 66 CG -0.0171 -0.0211 -0.0095 1052 ASN 66 OD1 -0.0145 -0.0203 -0.0136 1053 ASN 66 ND2 -0.0199 -0.0253 -0.0103 1054 ASN 66 H -0.0155 -0.0088 0.0067 1055 ASN 66 HA -0.0111 -0.0105 -0.0053 1056 ASN 66 HB3 -0.0193 -0.0182 -0.0004 1057 ASN 66 HB2 -0.0193 -0.0182 -0.0004 1058 ASN 66 HD22 -0.0199 -0.0280 -0.0146 1059 ASN 66 HD21 -0.0220 -0.0258 -0.0068 1060 ASP 67 N -0.0138 -0.0102 -0.0072 1061 ASP 67 CA -0.0110 -0.0099 -0.0117 1062 ASP 67 C -0.0128 -0.0120 -0.0166 1063 ASP 67 O -0.0108 -0.0119 -0.0208 1064 ASP 67 CB -0.0058 -0.0071 -0.0117 1065 ASP 67 CG -0.0039 -0.0062 -0.0121 1066 ASP 67 OD1 -0.0067 -0.0079 -0.0130 1067 ASP 67 OD2 0.0004 -0.0038 -0.0116 1068 ASP 67 H -0.0136 -0.0100 -0.0067 1069 ASP 67 HA -0.0117 -0.0102 -0.0115 1070 ASP 67 HB3 -0.0047 -0.0057 -0.0083 1071 ASP 67 HB2 -0.0041 -0.0069 -0.0149 1072 GLY 68 N -0.0168 -0.0173 -0.0218 1073 GLY 68 CA -0.0212 -0.0201 -0.0301 1074 GLY 68 C -0.0175 -0.0190 -0.0347 1075 GLY 68 O -0.0224 -0.0217 -0.0399 1076 GLY 68 H -0.0198 -0.0179 -0.0151 1077 GLY 68 HA3 -0.0213 -0.0208 -0.0357 1078 GLY 68 HA2 -0.0285 -0.0230 -0.0283 1079 LYS 69 N -0.0131 -0.0161 -0.0232 1080 LYS 69 CA -0.0094 -0.0152 -0.0272 1081 LYS 69 C -0.0075 -0.0126 -0.0251 1082 LYS 69 O -0.0040 -0.0112 -0.0278 1083 LYS 69 CB -0.0056 -0.0135 -0.0298 1084 LYS 69 CG -0.0033 -0.0097 -0.0260 1085 LYS 69 CD 0.0009 -0.0078 -0.0290 1086 LYS 69 CE 0.0042 -0.0035 -0.0257 1087 LYS 69 NZ 0.0046 -0.0027 -0.0247 1088 LYS 69 H -0.0124 -0.0139 -0.0203 1089 LYS 69 HA -0.0109 -0.0180 -0.0302 1090 LYS 69 HB3 -0.0070 -0.0158 -0.0318 1091 LYS 69 HB2 -0.0029 -0.0131 -0.0329 1092 LYS 69 HG3 -0.0023 -0.0076 -0.0236 1093 LYS 69 HG2 -0.0058 -0.0103 -0.0234 1094 LYS 69 HD3 -0.0002 -0.0094 -0.0302 1095 LYS 69 HD2 0.0028 -0.0083 -0.0326 1096 LYS 69 HE3 0.0076 -0.0018 -0.0277 1097 LYS 69 HE2 0.0028 -0.0025 -0.0219 1098 LYS 69 HZ1 0.0067 0.0003 -0.0225 1099 LYS 69 HZ2 0.0058 -0.0035 -0.0282 1100 LYS 69 HZ3 0.0014 -0.0042 -0.0228 1101 THR 70 N -0.0031 -0.0090 -0.0102 1102 THR 70 CA -0.0019 -0.0073 -0.0079 1103 THR 70 C -0.0032 -0.0064 -0.0069 1104 THR 70 O -0.0058 -0.0059 -0.0069 1105 THR 70 CB -0.0027 -0.0060 -0.0064 1106 THR 70 OG1 -0.0015 -0.0070 -0.0074 1107 THR 70 CG2 -0.0012 -0.0044 -0.0041 1108 THR 70 H -0.0050 -0.0089 -0.0104 1109 THR 70 HA 0.0004 -0.0076 -0.0078 1110 THR 70 HB -0.0050 -0.0056 -0.0064 1111 THR 70 HG1 -0.0023 -0.0081 -0.0089 1112 THR 70 HG21 -0.0017 -0.0035 -0.0031 1113 THR 70 HG22 -0.0018 -0.0037 -0.0034 1114 THR 70 HG23 0.0011 -0.0048 -0.0042 1115 PRO 71 N 0.0034 -0.0004 -0.0006 1116 PRO 71 CA 0.0041 0.0029 0.0007 1117 PRO 71 C 0.0043 0.0039 -0.0014 1118 PRO 71 O 0.0037 0.0016 -0.0027 1119 PRO 71 CB 0.0041 0.0021 0.0046 1120 PRO 71 CG 0.0034 -0.0011 0.0056 1121 PRO 71 CD 0.0028 -0.0032 0.0021 1122 PRO 71 HA 0.0046 0.0050 0.0006 1123 PRO 71 HB3 0.0046 0.0043 0.0063 1124 PRO 71 HB2 0.0040 0.0016 0.0048 1125 PRO 71 HG3 0.0036 -0.0004 0.0067 1126 PRO 71 HG2 0.0031 -0.0027 0.0074 1127 PRO 71 HD2 0.0024 -0.0049 0.0016 1128 PRO 71 HD3 0.0025 -0.0044 0.0021 1129 GLY 72 N 0.0147 -0.0149 -0.0080 1130 GLY 72 CA 0.0158 -0.0143 -0.0106 1131 GLY 72 C 0.0117 -0.0123 -0.0069 1132 GLY 72 O 0.0110 -0.0095 -0.0097 1133 GLY 72 H 0.0174 -0.0189 -0.0067 1134 GLY 72 HA3 0.0163 -0.0115 -0.0155 1135 GLY 72 HA2 0.0194 -0.0183 -0.0109 1136 ALA 73 N -0.0012 -0.0093 -0.0084 1137 ALA 73 CA -0.0038 -0.0083 -0.0066 1138 ALA 73 C -0.0051 -0.0087 -0.0056 1139 ALA 73 O -0.0048 -0.0111 -0.0058 1140 ALA 73 CB -0.0051 -0.0100 -0.0055 1141 ALA 73 H -0.0007 -0.0113 -0.0088 1142 ALA 73 HA -0.0038 -0.0058 -0.0066 1143 ALA 73 HB1 -0.0071 -0.0093 -0.0041 1144 ALA 73 HB2 -0.0043 -0.0096 -0.0062 1145 ALA 73 HB3 -0.0051 -0.0125 -0.0055 1146 VAL 74 N -0.0000 -0.0119 -0.0052 1147 VAL 74 CA -0.0016 -0.0123 -0.0036 1148 VAL 74 C -0.0047 -0.0131 -0.0003 1149 VAL 74 O -0.0059 -0.0151 0.0012 1150 VAL 74 CB -0.0014 -0.0084 -0.0044 1151 VAL 74 CG1 -0.0032 -0.0083 -0.0026 1152 VAL 74 CG2 0.0019 -0.0082 -0.0077 1153 VAL 74 H -0.0007 -0.0093 -0.0050 1154 VAL 74 HA -0.0004 -0.0149 -0.0043 1155 VAL 74 HB -0.0022 -0.0057 -0.0040 1156 VAL 74 HG11 -0.0029 -0.0055 -0.0033 1157 VAL 74 HG12 -0.0055 -0.0084 -0.0003 1158 VAL 74 HG13 -0.0024 -0.0109 -0.0029 1159 VAL 74 HG21 0.0022 -0.0055 -0.0084 1160 VAL 74 HG22 0.0028 -0.0109 -0.0082 1161 VAL 74 HG23 0.0031 -0.0080 -0.0089 1162 ASN 75 N -0.0080 -0.0130 -0.0037 1163 ASN 75 CA -0.0112 -0.0135 0.0002 1164 ASN 75 C -0.0141 -0.0124 0.0047 1165 ASN 75 O -0.0174 -0.0156 0.0072 1166 ASN 75 CB -0.0128 -0.0188 -0.0006 1167 ASN 75 CG -0.0151 -0.0187 0.0025 1168 ASN 75 OD1 -0.0153 -0.0144 0.0051 1169 ASN 75 ND2 -0.0169 -0.0232 0.0025 1170 ASN 75 H -0.0055 -0.0105 -0.0055 1171 ASN 75 HA -0.0102 -0.0104 0.0006 1172 ASN 75 HB3 -0.0144 -0.0219 -0.0001 1173 ASN 75 HB2 -0.0105 -0.0200 -0.0042 1174 ASN 75 HD22 -0.0185 -0.0231 0.0046 1175 ASN 75 HD21 -0.0168 -0.0266 0.0004 1176 ALA 76 N -0.0031 -0.0023 0.0050 1177 ALA 76 CA -0.0041 -0.0013 0.0056 1178 ALA 76 C -0.0067 -0.0009 0.0084 1179 ALA 76 O -0.0076 -0.0011 0.0095 1180 ALA 76 CB -0.0036 0.0017 0.0033 1181 ALA 76 H -0.0026 -0.0008 0.0036 1182 ALA 76 HA -0.0030 -0.0032 0.0055 1183 ALA 76 HB1 -0.0043 0.0024 0.0038 1184 ALA 76 HB2 -0.0016 0.0012 0.0014 1185 ALA 76 HB3 -0.0045 0.0037 0.0032 1186 CYS 77 N -0.0058 0.0014 0.0126 1187 CYS 77 CA -0.0077 0.0023 0.0176 1188 CYS 77 C -0.0082 -0.0019 0.0201 1189 CYS 77 O -0.0098 -0.0019 0.0244 1190 CYS 77 CB -0.0085 0.0071 0.0182 1191 CYS 77 SG -0.0085 0.0125 0.0167 1192 CYS 77 H -0.0051 0.0029 0.0102 1193 CYS 77 HA -0.0084 0.0026 0.0192 1194 CYS 77 HB3 -0.0098 0.0073 0.0218 1195 CYS 77 HB2 -0.0076 0.0071 0.0159 1196 HIS 78 N -0.0180 -0.0158 0.0181 1197 HIS 78 CA -0.0212 -0.0281 0.0213 1198 HIS 78 C -0.0243 -0.0256 0.0268 1199 HIS 78 O -0.0301 -0.0302 0.0359 1200 HIS 78 CB -0.0260 -0.0366 0.0279 1201 HIS 78 CG -0.0224 -0.0407 0.0211 1202 HIS 78 ND1 -0.0222 -0.0340 0.0218 1203 HIS 78 CD2 -0.0189 -0.0509 0.0133 1204 HIS 78 CE1 -0.0186 -0.0399 0.0148 1205 HIS 78 NE2 -0.0165 -0.0503 0.0095 1206 HIS 78 H -0.0131 -0.0150 0.0100 1207 HIS 78 HA -0.0170 -0.0337 0.0132 1208 HIS 78 HB3 -0.0285 -0.0454 0.0304 1209 HIS 78 HB2 -0.0302 -0.0312 0.0358 1210 HIS 78 HD1 -0.0245 -0.0259 0.0273 1211 HIS 78 HD2 -0.0183 -0.0576 0.0112 1212 HIS 78 HE1 -0.0178 -0.0359 0.0142 1213 LEU 79 N -0.0164 -0.0072 0.0127 1214 LEU 79 CA -0.0157 -0.0053 0.0130 1215 LEU 79 C -0.0133 -0.0049 0.0085 1216 LEU 79 O -0.0114 -0.0035 0.0060 1217 LEU 79 CB -0.0144 -0.0006 0.0155 1218 LEU 79 CG -0.0156 0.0011 0.0198 1219 LEU 79 CD1 -0.0137 0.0060 0.0210 1220 LEU 79 CD2 -0.0174 -0.0007 0.0218 1221 LEU 79 H -0.0150 -0.0064 0.0104 1222 LEU 79 HA -0.0173 -0.0071 0.0147 1223 LEU 79 HB3 -0.0124 0.0015 0.0134 1224 LEU 79 HB2 -0.0138 0.0003 0.0151 1225 LEU 79 HG -0.0169 0.0002 0.0217 1226 LEU 79 HD11 -0.0147 0.0070 0.0244 1227 LEU 79 HD12 -0.0128 0.0072 0.0206 1228 LEU 79 HD13 -0.0120 0.0072 0.0189 1229 LEU 79 HD21 -0.0181 0.0010 0.0251 1230 LEU 79 HD22 -0.0163 -0.0004 0.0199 1231 LEU 79 HD23 -0.0191 -0.0041 0.0218 1232 SER 80 N -0.0171 -0.0090 0.0096 1233 SER 80 CA -0.0143 -0.0076 0.0051 1234 SER 80 C -0.0115 -0.0019 0.0059 1235 SER 80 O -0.0119 0.0007 0.0101 1236 SER 80 CB -0.0151 -0.0093 0.0047 1237 SER 80 OG -0.0123 -0.0074 0.0008 1238 SER 80 H -0.0190 -0.0105 0.0121 1239 SER 80 HA -0.0137 -0.0092 0.0017 1240 SER 80 HB3 -0.0160 -0.0081 0.0084 1241 SER 80 HB2 -0.0169 -0.0133 0.0037 1242 SER 80 HG -0.0116 -0.0086 -0.0025 1243 CYS 81 N -0.0110 -0.0015 0.0056 1244 CYS 81 CA -0.0081 0.0017 0.0062 1245 CYS 81 C -0.0068 0.0031 0.0064 1246 CYS 81 O -0.0048 0.0057 0.0080 1247 CYS 81 CB -0.0061 0.0027 0.0031 1248 CYS 81 SG -0.0072 0.0015 0.0031 1249 CYS 81 H -0.0115 -0.0029 0.0032 1250 CYS 81 HA -0.0083 0.0025 0.0090 1251 CYS 81 HB3 -0.0039 0.0051 0.0036 1252 CYS 81 HB2 -0.0059 0.0018 0.0002 1253 SER 82 N -0.0068 0.0041 0.0028 1254 SER 82 CA -0.0058 0.0047 0.0025 1255 SER 82 C -0.0064 0.0056 0.0060 1256 SER 82 O -0.0047 0.0071 0.0065 1257 SER 82 CB -0.0070 0.0027 -0.0005 1258 SER 82 OG -0.0101 0.0008 0.0007 1259 SER 82 H -0.0083 0.0024 0.0014 1260 SER 82 HA -0.0032 0.0062 0.0016 1261 SER 82 HB3 -0.0066 0.0020 -0.0029 1262 SER 82 HB2 -0.0057 0.0033 -0.0011 1263 SER 82 HG -0.0113 -0.0001 0.0006 1264 ALA 83 N -0.0104 0.0070 0.0075 1265 ALA 83 CA -0.0119 0.0082 0.0097 1266 ALA 83 C -0.0104 0.0107 0.0109 1267 ALA 83 O -0.0113 0.0117 0.0124 1268 ALA 83 CB -0.0141 0.0079 0.0110 1269 ALA 83 H -0.0107 0.0064 0.0071 1270 ALA 83 HA -0.0128 0.0073 0.0095 1271 ALA 83 HB1 -0.0152 0.0088 0.0126 1272 ALA 83 HB2 -0.0152 0.0061 0.0102 1273 ALA 83 HB3 -0.0133 0.0087 0.0111 1274 LEU 84 N -0.0072 0.0102 0.0097 1275 LEU 84 CA -0.0052 0.0115 0.0114 1276 LEU 84 C -0.0026 0.0114 0.0101 1277 LEU 84 O -0.0006 0.0123 0.0112 1278 LEU 84 CB -0.0046 0.0121 0.0125 1279 LEU 84 CG -0.0070 0.0123 0.0138 1280 LEU 84 CD1 -0.0063 0.0128 0.0147 1281 LEU 84 CD2 -0.0083 0.0130 0.0159 1282 LEU 84 H -0.0073 0.0098 0.0088 1283 LEU 84 HA -0.0059 0.0121 0.0129 1284 LEU 84 HB3 -0.0030 0.0130 0.0136 1285 LEU 84 HB2 -0.0038 0.0116 0.0110 1286 LEU 84 HG -0.0085 0.0114 0.0125 1287 LEU 84 HD11 -0.0081 0.0130 0.0157 1288 LEU 84 HD12 -0.0057 0.0122 0.0131 1289 LEU 84 HD13 -0.0047 0.0138 0.0159 1290 LEU 84 HD21 -0.0099 0.0131 0.0168 1291 LEU 84 HD22 -0.0068 0.0140 0.0172 1292 LEU 84 HD23 -0.0090 0.0125 0.0152 1293 HIS 85 N 0.0020 0.0088 0.0066 1294 HIS 85 CA 0.0040 0.0076 0.0055 1295 HIS 85 C 0.0033 0.0069 0.0040 1296 HIS 85 O 0.0046 0.0058 0.0027 1297 HIS 85 CB 0.0050 0.0065 0.0041 1298 HIS 85 CG 0.0061 0.0070 0.0054 1299 HIS 85 ND1 0.0068 0.0063 0.0044 1300 HIS 85 CD2 0.0066 0.0083 0.0076 1301 HIS 85 CE1 0.0077 0.0070 0.0059 1302 HIS 85 NE2 0.0076 0.0082 0.0079 1303 HIS 85 H 0.0005 0.0086 0.0058 1304 HIS 85 HA 0.0056 0.0080 0.0067 1305 HIS 85 HB2 0.0034 0.0062 0.0029 1306 HIS 85 HB3 0.0065 0.0056 0.0032 1307 HIS 85 HD2 0.0062 0.0091 0.0087 1308 HIS 85 HE1 0.0084 0.0065 0.0054 1309 HIS 85 HE2 0.0081 0.0090 0.0095 1310 GLN 86 N -0.0029 0.0071 -0.0034 1311 GLN 86 CA -0.0041 0.0063 -0.0056 1312 GLN 86 C -0.0023 0.0061 -0.0046 1313 GLN 86 O -0.0011 0.0072 -0.0019 1314 GLN 86 CB -0.0078 0.0079 -0.0058 1315 GLN 86 CG -0.0100 0.0081 -0.0072 1316 GLN 86 CD -0.0136 0.0098 -0.0071 1317 GLN 86 OE1 -0.0153 0.0091 -0.0095 1318 GLN 86 NE2 -0.0147 0.0116 -0.0048 1319 GLN 86 H -0.0044 0.0087 -0.0019 1320 GLN 86 HA -0.0037 0.0048 -0.0079 1321 GLN 86 HB3 -0.0086 0.0075 -0.0071 1322 GLN 86 HB2 -0.0082 0.0095 -0.0034 1323 GLN 86 HG3 -0.0093 0.0085 -0.0059 1324 GLN 86 HG2 -0.0098 0.0065 -0.0097 1325 GLN 86 HE22 -0.0171 0.0128 -0.0047 1326 GLN 86 HE21 -0.0132 0.0120 -0.0029 1327 ASP 87 N -0.0050 0.0057 -0.0172 1328 ASP 87 CA -0.0028 0.0042 -0.0167 1329 ASP 87 C -0.0062 0.0079 -0.0151 1330 ASP 87 O -0.0043 0.0081 -0.0121 1331 ASP 87 CB -0.0020 0.0004 -0.0224 1332 ASP 87 CG 0.0025 -0.0039 -0.0237 1333 ASP 87 OD1 0.0058 -0.0044 -0.0200 1334 ASP 87 OD2 0.0030 -0.0070 -0.0284 1335 ASP 87 H -0.0066 0.0048 -0.0210 1336 ASP 87 HA 0.0010 0.0031 -0.0135 1337 ASP 87 HB3 -0.0019 0.0002 -0.0226 1338 ASP 87 HB2 -0.0055 0.0012 -0.0259 1339 ASN 88 N -0.0078 0.0040 -0.0136 1340 ASN 88 CA -0.0110 0.0075 -0.0126 1341 ASN 88 C -0.0117 0.0106 -0.0065 1342 ASN 88 O -0.0129 0.0122 -0.0052 1343 ASN 88 CB -0.0155 0.0101 -0.0173 1344 ASN 88 CG -0.0188 0.0134 -0.0171 1345 ASN 88 OD1 -0.0203 0.0165 -0.0129 1346 ASN 88 ND2 -0.0196 0.0124 -0.0217 1347 ASN 88 H -0.0091 0.0043 -0.0160 1348 ASN 88 HA -0.0097 0.0061 -0.0130 1349 ASN 88 HB3 -0.0169 0.0118 -0.0164 1350 ASN 88 HB2 -0.0148 0.0078 -0.0217 1351 ASN 88 HD22 -0.0218 0.0145 -0.0219 1352 ASN 88 HD21 -0.0181 0.0097 -0.0250 1353 ILE 89 N -0.0109 0.0125 -0.0024 1354 ILE 89 CA -0.0105 0.0138 -0.0001 1355 ILE 89 C -0.0125 0.0157 0.0006 1356 ILE 89 O -0.0124 0.0169 0.0026 1357 ILE 89 CB -0.0086 0.0136 0.0015 1358 ILE 89 CG1 -0.0092 0.0141 0.0017 1359 ILE 89 CG2 -0.0064 0.0117 0.0010 1360 ILE 89 CD1 -0.0074 0.0141 0.0035 1361 ILE 89 H -0.0110 0.0124 -0.0028 1362 ILE 89 HA -0.0099 0.0134 -0.0001 1363 ILE 89 HB -0.0083 0.0145 0.0032 1364 ILE 89 HG13 -0.0108 0.0154 0.0020 1365 ILE 89 HG12 -0.0094 0.0132 0.0001 1366 ILE 89 HG21 -0.0051 0.0115 0.0021 1367 ILE 89 HG22 -0.0060 0.0114 0.0010 1368 ILE 89 HG23 -0.0067 0.0107 -0.0007 1369 ILE 89 HD11 -0.0080 0.0145 0.0036 1370 ILE 89 HD12 -0.0072 0.0150 0.0052 1371 ILE 89 HD13 -0.0058 0.0128 0.0032 1372 ALA 90 N -0.0150 0.0123 0.0029 1373 ALA 90 CA -0.0172 0.0148 0.0035 1374 ALA 90 C -0.0169 0.0161 0.0051 1375 ALA 90 O -0.0174 0.0183 0.0069 1376 ALA 90 CB -0.0199 0.0148 0.0011 1377 ALA 90 H -0.0154 0.0108 0.0011 1378 ALA 90 HA -0.0172 0.0159 0.0046 1379 ALA 90 HB1 -0.0215 0.0167 0.0016 1380 ALA 90 HB2 -0.0202 0.0140 0.0001 1381 ALA 90 HB3 -0.0200 0.0137 -0.0001 1382 ASP 91 N -0.0169 0.0138 0.0106 1383 ASP 91 CA -0.0160 0.0147 0.0117 1384 ASP 91 C -0.0130 0.0159 0.0140 1385 ASP 91 O -0.0129 0.0181 0.0156 1386 ASP 91 CB -0.0155 0.0123 0.0102 1387 ASP 91 CG -0.0187 0.0117 0.0082 1388 ASP 91 OD1 -0.0212 0.0135 0.0084 1389 ASP 91 OD2 -0.0184 0.0092 0.0066 1390 ASP 91 H -0.0166 0.0117 0.0092 1391 ASP 91 HA -0.0180 0.0165 0.0120 1392 ASP 91 HB3 -0.0143 0.0129 0.0112 1393 ASP 91 HB2 -0.0139 0.0104 0.0095 1394 ALA 92 N -0.0116 0.0161 0.0113 1395 ALA 92 CA -0.0106 0.0164 0.0124 1396 ALA 92 C -0.0109 0.0173 0.0135 1397 ALA 92 O -0.0107 0.0178 0.0145 1398 ALA 92 CB -0.0093 0.0157 0.0122 1399 ALA 92 H -0.0114 0.0156 0.0106 1400 ALA 92 HA -0.0105 0.0165 0.0126 1401 ALA 92 HB1 -0.0085 0.0159 0.0130 1402 ALA 92 HB2 -0.0090 0.0151 0.0115 1403 ALA 92 HB3 -0.0093 0.0156 0.0120 1404 VAL 93 N -0.0116 0.0161 0.0110 1405 VAL 93 CA -0.0113 0.0157 0.0095 1406 VAL 93 C -0.0099 0.0160 0.0092 1407 VAL 93 O -0.0098 0.0157 0.0082 1408 VAL 93 CB -0.0112 0.0155 0.0090 1409 VAL 93 CG1 -0.0105 0.0152 0.0075 1410 VAL 93 CG2 -0.0127 0.0150 0.0090 1411 VAL 93 H -0.0117 0.0163 0.0115 1412 VAL 93 HA -0.0121 0.0153 0.0091 1413 VAL 93 HB -0.0107 0.0159 0.0096 1414 VAL 93 HG11 -0.0105 0.0151 0.0072 1415 VAL 93 HG12 -0.0095 0.0155 0.0076 1416 VAL 93 HG13 -0.0110 0.0148 0.0069 1417 VAL 93 HG21 -0.0127 0.0149 0.0086 1418 VAL 93 HG22 -0.0133 0.0146 0.0083 1419 VAL 93 HG23 -0.0132 0.0152 0.0100 1420 ALA 94 N -0.0082 0.0146 0.0117 1421 ALA 94 CA -0.0063 0.0143 0.0112 1422 ALA 94 C -0.0046 0.0144 0.0101 1423 ALA 94 O -0.0034 0.0149 0.0088 1424 ALA 94 CB -0.0056 0.0130 0.0129 1425 ALA 94 H -0.0088 0.0140 0.0131 1426 ALA 94 HA -0.0065 0.0150 0.0103 1427 ALA 94 HB1 -0.0041 0.0127 0.0125 1428 ALA 94 HB2 -0.0067 0.0129 0.0136 1429 ALA 94 HB3 -0.0053 0.0123 0.0138 1430 CYS 95 N -0.0079 0.0153 0.0166 1431 CYS 95 CA -0.0076 0.0152 0.0155 1432 CYS 95 C -0.0090 0.0154 0.0128 1433 CYS 95 O -0.0080 0.0150 0.0108 1434 CYS 95 CB -0.0083 0.0155 0.0175 1435 CYS 95 SG -0.0078 0.0153 0.0164 1436 CYS 95 H -0.0090 0.0157 0.0183 1437 CYS 95 HA -0.0055 0.0146 0.0150 1438 CYS 95 HB3 -0.0103 0.0160 0.0181 1439 CYS 95 HB2 -0.0071 0.0152 0.0194 1440 ALA 96 N -0.0052 0.0142 0.0079 1441 ALA 96 CA -0.0072 0.0129 0.0049 1442 ALA 96 C -0.0049 0.0114 0.0022 1443 ALA 96 O -0.0056 0.0102 -0.0003 1444 ALA 96 CB -0.0099 0.0130 0.0050 1445 ALA 96 H -0.0056 0.0150 0.0094 1446 ALA 96 HA -0.0086 0.0128 0.0047 1447 ALA 96 HB1 -0.0114 0.0121 0.0028 1448 ALA 96 HB2 -0.0116 0.0141 0.0069 1449 ALA 96 HB3 -0.0086 0.0131 0.0053 1450 LYS 97 N -0.0023 0.0093 0.0011 1451 LYS 97 CA 0.0013 0.0083 -0.0031 1452 LYS 97 C 0.0054 0.0077 -0.0044 1453 LYS 97 O 0.0064 0.0069 -0.0091 1454 LYS 97 CB 0.0040 0.0083 -0.0013 1455 LYS 97 CG 0.0002 0.0087 -0.0015 1456 LYS 97 CD 0.0030 0.0087 0.0006 1457 LYS 97 CE -0.0005 0.0090 0.0001 1458 LYS 97 NZ 0.0022 0.0091 0.0026 1459 LYS 97 H -0.0025 0.0098 0.0045 1460 LYS 97 HA -0.0011 0.0081 -0.0066 1461 LYS 97 HB3 0.0074 0.0076 -0.0038 1462 LYS 97 HB2 0.0056 0.0087 0.0027 1463 LYS 97 HG3 -0.0033 0.0094 0.0009 1464 LYS 97 HG2 -0.0011 0.0082 -0.0056 1465 LYS 97 HD3 0.0067 0.0080 -0.0016 1466 LYS 97 HD2 0.0042 0.0092 0.0048 1467 LYS 97 HE3 -0.0043 0.0097 0.0020 1468 LYS 97 HE2 -0.0012 0.0085 -0.0041 1469 LYS 97 HZ1 -0.0005 0.0095 0.0038 1470 LYS 97 HZ2 0.0044 0.0093 0.0059 1471 LYS 97 HZ3 0.0047 0.0084 0.0000 1472 ARG 98 N 0.0015 0.0104 0.0019 1473 ARG 98 CA 0.0029 0.0091 0.0006 1474 ARG 98 C 0.0003 0.0088 -0.0026 1475 ARG 98 O 0.0013 0.0069 -0.0053 1476 ARG 98 CB 0.0042 0.0100 0.0036 1477 ARG 98 CG 0.0051 0.0088 0.0023 1478 ARG 98 CD 0.0083 0.0063 0.0005 1479 ARG 98 NE 0.0089 0.0053 -0.0011 1480 ARG 98 CZ 0.0075 0.0043 -0.0044 1481 ARG 98 NH1 0.0051 0.0043 -0.0067 1482 ARG 98 NH2 0.0085 0.0033 -0.0053 1483 ARG 98 H 0.0012 0.0119 0.0045 1484 ARG 98 HA 0.0053 0.0073 -0.0005 1485 ARG 98 HB3 0.0021 0.0118 0.0052 1486 ARG 98 HB2 0.0065 0.0097 0.0054 1487 ARG 98 HG3 0.0027 0.0090 0.0003 1488 ARG 98 HG2 0.0055 0.0098 0.0045 1489 ARG 98 HD3 0.0108 0.0062 0.0025 1490 ARG 98 HD2 0.0080 0.0055 -0.0016 1491 ARG 98 HE 0.0104 0.0054 0.0007 1492 ARG 98 HH12 0.0042 0.0035 -0.0092 1493 ARG 98 HH11 0.0043 0.0051 -0.0060 1494 ARG 98 HH22 0.0076 0.0025 -0.0078 1495 ARG 98 HH21 0.0103 0.0034 -0.0035 1496 VAL 99 N 0.0001 0.0090 -0.0016 1497 VAL 99 CA -0.0027 0.0085 -0.0035 1498 VAL 99 C -0.0027 0.0067 -0.0075 1499 VAL 99 O -0.0026 0.0056 -0.0098 1500 VAL 99 CB -0.0068 0.0095 -0.0022 1501 VAL 99 CG1 -0.0100 0.0088 -0.0045 1502 VAL 99 CG2 -0.0071 0.0113 0.0018 1503 VAL 99 H -0.0008 0.0100 0.0004 1504 VAL 99 HA -0.0018 0.0085 -0.0031 1505 VAL 99 HB -0.0075 0.0095 -0.0023 1506 VAL 99 HG11 -0.0128 0.0096 -0.0034 1507 VAL 99 HG12 -0.0099 0.0076 -0.0073 1508 VAL 99 HG13 -0.0093 0.0087 -0.0046 1509 VAL 99 HG21 -0.0101 0.0120 0.0026 1510 VAL 99 HG22 -0.0063 0.0114 0.0021 1511 VAL 99 HG23 -0.0051 0.0119 0.0034 1512 VAL 100 N -0.0017 0.0042 -0.0126 1513 VAL 100 CA -0.0021 0.0018 -0.0173 1514 VAL 100 C 0.0026 0.0003 -0.0198 1515 VAL 100 O 0.0024 -0.0019 -0.0240 1516 VAL 100 CB -0.0048 0.0016 -0.0181 1517 VAL 100 CG1 -0.0099 0.0030 -0.0161 1518 VAL 100 CG2 -0.0016 0.0021 -0.0167 1519 VAL 100 H -0.0014 0.0053 -0.0103 1520 VAL 100 HA -0.0047 0.0013 -0.0187 1521 VAL 100 HB -0.0054 -0.0002 -0.0217 1522 VAL 100 HG11 -0.0116 0.0027 -0.0168 1523 VAL 100 HG12 -0.0122 0.0024 -0.0175 1524 VAL 100 HG13 -0.0095 0.0048 -0.0125 1525 VAL 100 HG21 -0.0037 0.0019 -0.0174 1526 VAL 100 HG22 -0.0007 0.0039 -0.0131 1527 VAL 100 HG23 0.0018 0.0009 -0.0186 1528 ARG 101 N 0.0093 -0.0038 -0.0249 1529 ARG 101 CA 0.0158 -0.0055 -0.0280 1530 ARG 101 C 0.0161 -0.0068 -0.0311 1531 ARG 101 O 0.0202 -0.0088 -0.0354 1532 ARG 101 CB 0.0221 -0.0043 -0.0238 1533 ARG 101 CG 0.0234 -0.0040 -0.0228 1534 ARG 101 CD 0.0305 -0.0035 -0.0201 1535 ARG 101 NE 0.0318 -0.0010 -0.0137 1536 ARG 101 CZ 0.0309 0.0012 -0.0082 1537 ARG 101 NH1 0.0273 0.0017 -0.0078 1538 ARG 101 NH2 0.0330 0.0033 -0.0027 1539 ARG 101 H 0.0095 -0.0019 -0.0201 1540 ARG 101 HA 0.0159 -0.0071 -0.0320 1541 ARG 101 HB3 0.0266 -0.0055 -0.0258 1542 ARG 101 HB2 0.0215 -0.0024 -0.0191 1543 ARG 101 HG3 0.0195 -0.0025 -0.0197 1544 ARG 101 HG2 0.0226 -0.0058 -0.0273 1545 ARG 101 HD3 0.0310 -0.0035 -0.0199 1546 ARG 101 HD2 0.0344 -0.0051 -0.0234 1547 ARG 101 HE 0.0337 -0.0012 -0.0138 1548 ARG 101 HH12 0.0267 0.0035 -0.0035 1549 ARG 101 HH11 0.0253 0.0002 -0.0118 1550 ARG 101 HH22 0.0323 0.0050 0.0015 1551 ARG 101 HH21 0.0355 0.0030 -0.0028 1552 ASP 102 N 0.0105 -0.0013 -0.0233 1553 ASP 102 CA 0.0081 -0.0029 -0.0252 1554 ASP 102 C 0.0045 -0.0070 -0.0307 1555 ASP 102 O 0.0021 -0.0079 -0.0319 1556 ASP 102 CB 0.0031 0.0001 -0.0206 1557 ASP 102 CG 0.0071 0.0035 -0.0162 1558 ASP 102 OD1 0.0135 0.0039 -0.0161 1559 ASP 102 OD2 0.0037 0.0058 -0.0127 1560 ASP 102 H 0.0077 0.0007 -0.0201 1561 ASP 102 HA 0.0125 -0.0031 -0.0259 1562 ASP 102 HB3 -0.0005 -0.0016 -0.0227 1563 ASP 102 HB2 0.0001 0.0013 -0.0186 1564 PRO 103 N 0.0139 -0.0108 -0.0386 1565 PRO 103 CA 0.0103 -0.0157 -0.0451 1566 PRO 103 C 0.0022 -0.0091 -0.0468 1567 PRO 103 O 0.0024 -0.0113 -0.0482 1568 PRO 103 CB 0.0071 -0.0231 -0.0530 1569 PRO 103 CG 0.0133 -0.0254 -0.0496 1570 PRO 103 CD 0.0149 -0.0157 -0.0414 1571 PRO 103 HA 0.0164 -0.0201 -0.0434 1572 PRO 103 HB3 0.0085 -0.0301 -0.0569 1573 PRO 103 HB2 -0.0006 -0.0194 -0.0564 1574 PRO 103 HG3 0.0203 -0.0314 -0.0483 1575 PRO 103 HG2 0.0094 -0.0272 -0.0541 1576 PRO 103 HD2 0.0091 -0.0110 -0.0426 1577 PRO 103 HD3 0.0223 -0.0175 -0.0367 1578 GLN 104 N -0.0101 -0.0117 -0.0238 1579 GLN 104 CA -0.0141 -0.0135 -0.0235 1580 GLN 104 C -0.0120 -0.0139 -0.0245 1581 GLN 104 O -0.0143 -0.0163 -0.0251 1582 GLN 104 CB -0.0175 -0.0101 -0.0200 1583 GLN 104 CG -0.0223 -0.0108 -0.0187 1584 GLN 104 CD -0.0259 -0.0079 -0.0155 1585 GLN 104 OE1 -0.0303 -0.0094 -0.0148 1586 GLN 104 NE2 -0.0238 -0.0036 -0.0136 1587 GLN 104 H -0.0101 -0.0087 -0.0219 1588 GLN 104 HA -0.0161 -0.0168 -0.0247 1589 GLN 104 HB3 -0.0181 -0.0095 -0.0194 1590 GLN 104 HB2 -0.0155 -0.0068 -0.0187 1591 GLN 104 HG3 -0.0217 -0.0104 -0.0187 1592 GLN 104 HG2 -0.0240 -0.0143 -0.0202 1593 GLN 104 HE22 -0.0260 -0.0015 -0.0115 1594 GLN 104 HE21 -0.0201 -0.0026 -0.0144 1595 GLY 105 N -0.0081 -0.0059 -0.0253 1596 GLY 105 CA -0.0085 -0.0054 -0.0245 1597 GLY 105 C -0.0122 -0.0038 -0.0221 1598 GLY 105 O -0.0133 -0.0021 -0.0194 1599 GLY 105 H -0.0055 -0.0054 -0.0246 1600 GLY 105 HA3 -0.0088 -0.0070 -0.0271 1601 GLY 105 HA2 -0.0055 -0.0046 -0.0233 1602 ILE 106 N -0.0041 -0.0015 -0.0131 1603 ILE 106 CA -0.0050 -0.0013 -0.0125 1604 ILE 106 C -0.0057 -0.0013 -0.0125 1605 ILE 106 O -0.0064 -0.0011 -0.0120 1606 ILE 106 CB -0.0054 -0.0013 -0.0127 1607 ILE 106 CG1 -0.0062 -0.0010 -0.0119 1608 ILE 106 CG2 -0.0059 -0.0017 -0.0136 1609 ILE 106 CD1 -0.0062 -0.0010 -0.0118 1610 ILE 106 H -0.0040 -0.0018 -0.0136 1611 ILE 106 HA -0.0047 -0.0010 -0.0118 1612 ILE 106 HB -0.0048 -0.0014 -0.0126 1613 ILE 106 HG13 -0.0060 -0.0008 -0.0113 1614 ILE 106 HG12 -0.0069 -0.0011 -0.0121 1615 ILE 106 HG21 -0.0062 -0.0018 -0.0137 1616 ILE 106 HG22 -0.0053 -0.0019 -0.0141 1617 ILE 106 HG23 -0.0065 -0.0018 -0.0137 1618 ILE 106 HD11 -0.0068 -0.0008 -0.0113 1619 ILE 106 HD12 -0.0055 -0.0009 -0.0117 1620 ILE 106 HD13 -0.0065 -0.0013 -0.0125 1621 ARG 107 N -0.0035 -0.0027 -0.0123 1622 ARG 107 CA -0.0036 -0.0034 -0.0099 1623 ARG 107 C -0.0042 -0.0022 -0.0093 1624 ARG 107 O -0.0042 -0.0029 -0.0075 1625 ARG 107 CB -0.0041 -0.0030 -0.0081 1626 ARG 107 CG -0.0035 -0.0046 -0.0083 1627 ARG 107 CD -0.0039 -0.0041 -0.0065 1628 ARG 107 NE -0.0034 -0.0052 -0.0073 1629 ARG 107 CZ -0.0031 -0.0049 -0.0096 1630 ARG 107 NH1 -0.0036 -0.0029 -0.0108 1631 ARG 107 NH2 -0.0023 -0.0066 -0.0108 1632 ARG 107 H -0.0038 -0.0018 -0.0126 1633 ARG 107 HA -0.0029 -0.0052 -0.0099 1634 ARG 107 HB3 -0.0043 -0.0032 -0.0063 1635 ARG 107 HB2 -0.0047 -0.0012 -0.0083 1636 ARG 107 HG3 -0.0032 -0.0044 -0.0101 1637 ARG 107 HG2 -0.0028 -0.0063 -0.0080 1638 ARG 107 HD3 -0.0040 -0.0048 -0.0048 1639 ARG 107 HD2 -0.0046 -0.0022 -0.0065 1640 ARG 107 HE -0.0032 -0.0061 -0.0062 1641 ARG 107 HH12 -0.0034 -0.0027 -0.0126 1642 ARG 107 HH11 -0.0043 -0.0016 -0.0100 1643 ARG 107 HH22 -0.0021 -0.0064 -0.0125 1644 ARG 107 HH21 -0.0018 -0.0082 -0.0099 1645 ALA 108 N -0.0124 -0.0022 -0.0086 1646 ALA 108 CA -0.0132 -0.0005 -0.0080 1647 ALA 108 C -0.0130 -0.0016 -0.0077 1648 ALA 108 O -0.0138 -0.0009 -0.0065 1649 ALA 108 CB -0.0129 0.0016 -0.0096 1650 ALA 108 H -0.0118 -0.0018 -0.0099 1651 ALA 108 HA -0.0141 0.0000 -0.0065 1652 ALA 108 HB1 -0.0135 0.0028 -0.0091 1653 ALA 108 HB2 -0.0131 0.0025 -0.0097 1654 ALA 108 HB3 -0.0120 0.0011 -0.0112 1655 TRP 109 N -0.0034 0.0021 -0.0008 1656 TRP 109 CA -0.0048 0.0008 0.0004 1657 TRP 109 C -0.0059 0.0000 0.0002 1658 TRP 109 O -0.0067 -0.0003 -0.0016 1659 TRP 109 CB -0.0059 0.0001 -0.0001 1660 TRP 109 CG -0.0052 0.0005 0.0004 1661 TRP 109 CD1 -0.0053 0.0001 0.0023 1662 TRP 109 CD2 -0.0044 0.0014 -0.0009 1663 TRP 109 NE1 -0.0046 0.0006 0.0022 1664 TRP 109 CE2 -0.0041 0.0014 0.0003 1665 TRP 109 CE3 -0.0040 0.0021 -0.0029 1666 TRP 109 CZ2 -0.0033 0.0022 -0.0005 1667 TRP 109 CZ3 -0.0032 0.0029 -0.0037 1668 TRP 109 CH2 -0.0029 0.0029 -0.0026 1669 TRP 109 H -0.0036 0.0023 -0.0023 1670 TRP 109 HA -0.0043 0.0009 0.0021 1671 TRP 109 HB3 -0.0071 -0.0010 0.0005 1672 TRP 109 HB2 -0.0063 0.0001 -0.0018 1673 TRP 109 HD1 -0.0059 -0.0006 0.0036 1674 TRP 109 HE1 -0.0046 0.0004 0.0034 1675 TRP 109 HE3 -0.0043 0.0021 -0.0039 1676 TRP 109 HZ2 -0.0030 0.0022 0.0004 1677 TRP 109 HZ3 -0.0028 0.0034 -0.0053 1678 TRP 109 HH2 -0.0023 0.0035 -0.0033 1679 VAL 110 N 0.0006 -0.0095 -0.0017 1680 VAL 110 CA 0.0054 -0.0096 0.0023 1681 VAL 110 C 0.0091 -0.0116 0.0015 1682 VAL 110 O 0.0118 -0.0108 0.0055 1683 VAL 110 CB 0.0084 -0.0105 0.0031 1684 VAL 110 CG1 0.0049 -0.0087 0.0035 1685 VAL 110 CG2 0.0124 -0.0140 -0.0003 1686 VAL 110 H -0.0004 -0.0103 -0.0040 1687 VAL 110 HA 0.0041 -0.0071 0.0059 1688 VAL 110 HB 0.0108 -0.0095 0.0070 1689 VAL 110 HG11 0.0074 -0.0095 0.0041 1690 VAL 110 HG12 0.0029 -0.0062 0.0068 1691 VAL 110 HG13 0.0020 -0.0093 -0.0001 1692 VAL 110 HG21 0.0144 -0.0145 0.0005 1693 VAL 110 HG22 0.0104 -0.0152 -0.0043 1694 VAL 110 HG23 0.0153 -0.0149 0.0005 1695 ALA 111 N 0.0093 -0.0126 0.0087 1696 ALA 111 CA 0.0097 -0.0139 0.0081 1697 ALA 111 C 0.0094 -0.0136 0.0078 1698 ALA 111 O 0.0099 -0.0144 0.0079 1699 ALA 111 CB 0.0096 -0.0148 0.0067 1700 ALA 111 H 0.0089 -0.0125 0.0082 1701 ALA 111 HA 0.0105 -0.0146 0.0090 1702 ALA 111 HB1 0.0099 -0.0157 0.0063 1703 ALA 111 HB2 0.0099 -0.0151 0.0070 1704 ALA 111 HB3 0.0088 -0.0142 0.0059 1705 TRP 112 N 0.0045 -0.0096 0.0005 1706 TRP 112 CA 0.0036 -0.0087 -0.0013 1707 TRP 112 C 0.0041 -0.0078 -0.0008 1708 TRP 112 O 0.0034 -0.0083 -0.0018 1709 TRP 112 CB 0.0033 -0.0067 -0.0026 1710 TRP 112 CG 0.0023 -0.0058 -0.0046 1711 TRP 112 CD1 0.0009 -0.0067 -0.0064 1712 TRP 112 CD2 0.0026 -0.0040 -0.0049 1713 TRP 112 NE1 0.0004 -0.0055 -0.0078 1714 TRP 112 CE2 0.0014 -0.0038 -0.0070 1715 TRP 112 CE3 0.0039 -0.0024 -0.0037 1716 TRP 112 CZ2 0.0014 -0.0021 -0.0077 1717 TRP 112 CZ3 0.0038 -0.0007 -0.0045 1718 TRP 112 CH2 0.0026 -0.0006 -0.0065 1719 TRP 112 H 0.0049 -0.0088 0.0009 1720 TRP 112 HA 0.0026 -0.0101 -0.0023 1721 TRP 112 HB3 0.0043 -0.0052 -0.0017 1722 TRP 112 HB2 0.0029 -0.0073 -0.0030 1723 TRP 112 HD1 0.0004 -0.0082 -0.0066 1724 TRP 112 HE1 -0.0006 -0.0059 -0.0093 1725 TRP 112 HE3 0.0048 -0.0025 -0.0021 1726 TRP 112 HZ2 0.0004 -0.0020 -0.0093 1727 TRP 112 HZ3 0.0048 0.0005 -0.0035 1728 TRP 112 HH2 0.0026 0.0007 -0.0071 1729 ARG 113 N 0.0092 -0.0092 0.0015 1730 ARG 113 CA 0.0111 -0.0075 0.0053 1731 ARG 113 C 0.0160 -0.0080 0.0056 1732 ARG 113 O 0.0178 -0.0066 0.0087 1733 ARG 113 CB 0.0102 -0.0071 0.0059 1734 ARG 113 CG 0.0055 -0.0067 0.0055 1735 ARG 113 CD 0.0050 -0.0064 0.0060 1736 ARG 113 NE 0.0012 -0.0070 0.0040 1737 ARG 113 CZ 0.0004 -0.0073 0.0032 1738 ARG 113 NH1 0.0034 -0.0071 0.0044 1739 ARG 113 NH2 -0.0032 -0.0078 0.0012 1740 ARG 113 H 0.0078 -0.0100 -0.0004 1741 ARG 113 HA 0.0096 -0.0062 0.0077 1742 ARG 113 HB3 0.0116 -0.0058 0.0088 1743 ARG 113 HB2 0.0121 -0.0084 0.0038 1744 ARG 113 HG3 0.0041 -0.0080 0.0026 1745 ARG 113 HG2 0.0037 -0.0054 0.0077 1746 ARG 113 HD3 0.0049 -0.0048 0.0091 1747 ARG 113 HD2 0.0079 -0.0073 0.0050 1748 ARG 113 HE -0.0011 -0.0071 0.0031 1749 ARG 113 HH12 0.0028 -0.0073 0.0038 1750 ARG 113 HH11 0.0061 -0.0066 0.0059 1751 ARG 113 HH22 -0.0038 -0.0081 0.0006 1752 ARG 113 HH21 -0.0054 -0.0080 0.0003 1753 ASN 114 N 0.0252 -0.0088 0.0110 1754 ASN 114 CA 0.0310 -0.0132 0.0126 1755 ASN 114 C 0.0239 -0.0154 0.0095 1756 ASN 114 O 0.0271 -0.0135 0.0110 1757 ASN 114 CB 0.0373 -0.0245 0.0133 1758 ASN 114 CG 0.0451 -0.0241 0.0163 1759 ASN 114 OD1 0.0475 -0.0159 0.0185 1760 ASN 114 ND2 0.0487 -0.0347 0.0161 1761 ASN 114 H 0.0244 -0.0138 0.0100 1762 ASN 114 HA 0.0367 -0.0070 0.0157 1763 ASN 114 HB3 0.0417 -0.0274 0.0145 1764 ASN 114 HB2 0.0318 -0.0311 0.0101 1765 ASN 114 HD22 0.0540 -0.0357 0.0180 1766 ASN 114 HD21 0.0462 -0.0417 0.0141 1767 ARG 115 N 0.0227 -0.0080 0.0143 1768 ARG 115 CA 0.0168 -0.0146 0.0090 1769 ARG 115 C 0.0114 -0.0101 0.0006 1770 ARG 115 O 0.0065 -0.0153 -0.0040 1771 ARG 115 CB 0.0148 -0.0215 0.0089 1772 ARG 115 CG 0.0193 -0.0272 0.0168 1773 ARG 115 CD 0.0181 -0.0363 0.0184 1774 ARG 115 NE 0.0224 -0.0418 0.0260 1775 ARG 115 CZ 0.0223 -0.0501 0.0288 1776 ARG 115 NH1 0.0178 -0.0534 0.0241 1777 ARG 115 NH2 0.0265 -0.0546 0.0358 1778 ARG 115 H 0.0232 -0.0048 0.0138 1779 ARG 115 HA 0.0175 -0.0187 0.0114 1780 ARG 115 HB3 0.0102 -0.0264 0.0048 1781 ARG 115 HB2 0.0141 -0.0175 0.0065 1782 ARG 115 HG3 0.0188 -0.0293 0.0169 1783 ARG 115 HG2 0.0241 -0.0229 0.0214 1784 ARG 115 HD3 0.0191 -0.0342 0.0189 1785 ARG 115 HD2 0.0133 -0.0405 0.0137 1786 ARG 115 HE 0.0255 -0.0394 0.0290 1787 ARG 115 HH12 0.0175 -0.0597 0.0260 1788 ARG 115 HH11 0.0146 -0.0497 0.0187 1789 ARG 115 HH22 0.0264 -0.0609 0.0379 1790 ARG 115 HH21 0.0299 -0.0518 0.0391 1791 CYS 116 N 0.0106 -0.0083 0.0013 1792 CYS 116 CA 0.0078 -0.0067 -0.0002 1793 CYS 116 C 0.0078 -0.0030 0.0005 1794 CYS 116 O 0.0061 -0.0017 -0.0003 1795 CYS 116 CB 0.0058 -0.0070 -0.0017 1796 CYS 116 SG 0.0056 -0.0113 -0.0027 1797 CYS 116 H 0.0117 -0.0073 0.0022 1798 CYS 116 HA 0.0070 -0.0079 -0.0011 1799 CYS 116 HB3 0.0036 -0.0059 -0.0029 1800 CYS 116 HB2 0.0063 -0.0054 -0.0010 1801 GLN 117 N 0.0112 -0.0027 0.0012 1802 GLN 117 CA 0.0112 -0.0029 0.0012 1803 GLN 117 C 0.0112 -0.0030 0.0012 1804 GLN 117 O 0.0111 -0.0030 0.0012 1805 GLN 117 CB 0.0111 -0.0029 0.0012 1806 GLN 117 CG 0.0110 -0.0031 0.0012 1807 GLN 117 CD 0.0109 -0.0031 0.0012 1808 GLN 117 OE1 0.0109 -0.0032 0.0012 1809 GLN 117 NE2 0.0108 -0.0030 0.0012 1810 GLN 117 H 0.0111 -0.0027 0.0012 1811 GLN 117 HA 0.0113 -0.0029 0.0012 1812 GLN 117 HB3 0.0109 -0.0029 0.0012 1813 GLN 117 HB2 0.0111 -0.0028 0.0012 1814 GLN 117 HG3 0.0111 -0.0031 0.0012 1815 GLN 117 HG2 0.0110 -0.0032 0.0012 1816 GLN 117 HE22 0.0107 -0.0030 0.0012 1817 GLN 117 HE21 0.0108 -0.0029 0.0012 1818 ASN 118 N 0.0146 -0.0184 -0.0034 1819 ASN 118 CA 0.0138 -0.0191 -0.0042 1820 ASN 118 C 0.0177 -0.0016 -0.0014 1821 ASN 118 O 0.0141 0.0020 -0.0061 1822 ASN 118 CB 0.0017 -0.0257 -0.0178 1823 ASN 118 CG -0.0023 -0.0440 -0.0206 1824 ASN 118 OD1 0.0041 -0.0560 -0.0117 1825 ASN 118 ND2 -0.0131 -0.0463 -0.0331 1826 ASN 118 H 0.0196 -0.0266 0.0034 1827 ASN 118 HA 0.0196 -0.0287 0.0038 1828 ASN 118 HB3 0.0016 -0.0258 -0.0179 1829 ASN 118 HB2 -0.0045 -0.0163 -0.0261 1830 ASN 118 HD22 -0.0162 -0.0582 -0.0355 1831 ASN 118 HD21 -0.0181 -0.0360 -0.0402 1832 ARG 119 N 0.0107 0.0083 0.0036 1833 ARG 119 CA 0.0091 0.0070 0.0036 1834 ARG 119 C 0.0045 0.0070 0.0032 1835 ARG 119 O 0.0028 0.0068 0.0031 1836 ARG 119 CB 0.0103 0.0027 0.0039 1837 ARG 119 CG 0.0145 0.0020 0.0043 1838 ARG 119 CD 0.0152 -0.0022 0.0046 1839 ARG 119 NE 0.0194 -0.0032 0.0050 1840 ARG 119 CZ 0.0215 -0.0047 0.0053 1841 ARG 119 NH1 0.0202 -0.0047 0.0052 1842 ARG 119 NH2 0.0250 -0.0060 0.0056 1843 ARG 119 H 0.0097 0.0070 0.0036 1844 ARG 119 HA 0.0102 0.0089 0.0035 1845 ARG 119 HB3 0.0084 0.0015 0.0039 1846 ARG 119 HB2 0.0095 0.0009 0.0040 1847 ARG 119 HG3 0.0164 0.0025 0.0044 1848 ARG 119 HG2 0.0154 0.0041 0.0042 1849 ARG 119 HD3 0.0143 -0.0024 0.0046 1850 ARG 119 HD2 0.0134 -0.0043 0.0046 1851 ARG 119 HE 0.0207 -0.0026 0.0051 1852 ARG 119 HH12 0.0218 -0.0058 0.0054 1853 ARG 119 HH11 0.0175 -0.0035 0.0049 1854 ARG 119 HH22 0.0267 -0.0072 0.0059 1855 ARG 119 HH21 0.0261 -0.0059 0.0057 1856 ASP 120 N 0.0141 0.0193 0.0183 1857 ASP 120 CA 0.0074 0.0191 0.0192 1858 ASP 120 C 0.0043 0.0106 0.0079 1859 ASP 120 O 0.0134 0.0070 0.0013 1860 ASP 120 CB 0.0181 0.0228 0.0226 1861 ASP 120 CG 0.0121 0.0243 0.0256 1862 ASP 120 OD1 0.0009 0.0208 0.0227 1863 ASP 120 OD2 0.0186 0.0280 0.0297 1864 ASP 120 H 0.0238 0.0206 0.0185 1865 ASP 120 HA -0.0011 0.0220 0.0247 1866 ASP 120 HB3 0.0253 0.0190 0.0161 1867 ASP 120 HB2 0.0227 0.0282 0.0293 1868 VAL 121 N -0.0034 0.0021 -0.0047 1869 VAL 121 CA -0.0046 -0.0016 -0.0061 1870 VAL 121 C -0.0084 -0.0025 -0.0067 1871 VAL 121 O -0.0100 -0.0054 -0.0079 1872 VAL 121 CB -0.0047 -0.0028 -0.0065 1873 VAL 121 CG1 -0.0007 -0.0028 -0.0062 1874 VAL 121 CG2 -0.0077 -0.0004 -0.0059 1875 VAL 121 H -0.0050 0.0042 -0.0041 1876 VAL 121 HA -0.0024 -0.0034 -0.0066 1877 VAL 121 HB -0.0058 -0.0056 -0.0076 1878 VAL 121 HG11 -0.0009 -0.0036 -0.0065 1879 VAL 121 HG12 0.0012 -0.0048 -0.0068 1880 VAL 121 HG13 0.0005 -0.0001 -0.0052 1881 VAL 121 HG21 -0.0077 -0.0013 -0.0062 1882 VAL 121 HG22 -0.0069 0.0025 -0.0048 1883 VAL 121 HG23 -0.0106 -0.0008 -0.0063 1884 ARG 122 N -0.0056 0.0060 -0.0060 1885 ARG 122 CA -0.0154 0.0040 -0.0087 1886 ARG 122 C -0.0149 -0.0056 -0.0118 1887 ARG 122 O -0.0227 -0.0100 -0.0149 1888 ARG 122 CB -0.0190 0.0127 -0.0065 1889 ARG 122 CG -0.0174 0.0111 -0.0067 1890 ARG 122 CD -0.0255 0.0168 -0.0064 1891 ARG 122 NE -0.0228 0.0269 -0.0025 1892 ARG 122 CZ -0.0179 0.0318 0.0001 1893 ARG 122 NH1 -0.0220 0.0327 -0.0004 1894 ARG 122 NH2 -0.0093 0.0356 0.0032 1895 ARG 122 H -0.0022 0.0121 -0.0033 1896 ARG 122 HA -0.0209 0.0034 -0.0100 1897 ARG 122 HB3 -0.0152 0.0192 -0.0035 1898 ARG 122 HB2 -0.0270 0.0145 -0.0075 1899 ARG 122 HG3 -0.0175 0.0033 -0.0093 1900 ARG 122 HG2 -0.0099 0.0134 -0.0044 1901 ARG 122 HD3 -0.0327 0.0168 -0.0079 1902 ARG 122 HD2 -0.0262 0.0132 -0.0078 1903 ARG 122 HE -0.0247 0.0302 -0.0017 1904 ARG 122 HH12 -0.0184 0.0363 0.0016 1905 ARG 122 HH11 -0.0286 0.0297 -0.0027 1906 ARG 122 HH22 -0.0056 0.0393 0.0052 1907 ARG 122 HH21 -0.0063 0.0349 0.0035 1908 GLN 123 N -0.0098 -0.0014 -0.0083 1909 GLN 123 CA -0.0113 -0.0059 -0.0077 1910 GLN 123 C -0.0117 -0.0080 -0.0072 1911 GLN 123 O -0.0141 -0.0111 -0.0079 1912 GLN 123 CB -0.0091 -0.0082 -0.0051 1913 GLN 123 CG -0.0056 -0.0086 -0.0022 1914 GLN 123 CD -0.0031 -0.0101 0.0003 1915 GLN 123 OE1 -0.0001 -0.0079 0.0018 1916 GLN 123 NE2 -0.0042 -0.0139 0.0009 1917 GLN 123 H -0.0076 -0.0003 -0.0071 1918 GLN 123 HA -0.0140 -0.0064 -0.0096 1919 GLN 123 HB3 -0.0086 -0.0065 -0.0054 1920 GLN 123 HB2 -0.0107 -0.0113 -0.0051 1921 GLN 123 HG3 -0.0060 -0.0108 -0.0017 1922 GLN 123 HG2 -0.0042 -0.0056 -0.0023 1923 GLN 123 HE22 -0.0027 -0.0151 0.0026 1924 GLN 123 HE21 -0.0066 -0.0157 -0.0002 1925 TYR 124 N -0.0091 -0.0095 -0.0070 1926 TYR 124 CA -0.0088 -0.0102 -0.0061 1927 TYR 124 C -0.0099 -0.0101 -0.0073 1928 TYR 124 O -0.0103 -0.0112 -0.0067 1929 TYR 124 CB -0.0067 -0.0093 -0.0049 1930 TYR 124 CG -0.0055 -0.0097 -0.0035 1931 TYR 124 CD1 -0.0055 -0.0115 -0.0020 1932 TYR 124 CD2 -0.0044 -0.0082 -0.0037 1933 TYR 124 CE1 -0.0044 -0.0119 -0.0007 1934 TYR 124 CE2 -0.0033 -0.0085 -0.0024 1935 TYR 124 CZ -0.0034 -0.0104 -0.0009 1936 TYR 124 OH -0.0023 -0.0107 0.0003 1937 TYR 124 H -0.0080 -0.0082 -0.0071 1938 TYR 124 HA -0.0092 -0.0118 -0.0052 1939 TYR 124 HB3 -0.0065 -0.0100 -0.0042 1940 TYR 124 HB2 -0.0061 -0.0077 -0.0057 1941 TYR 124 HD1 -0.0063 -0.0128 -0.0018 1942 TYR 124 HD2 -0.0043 -0.0067 -0.0048 1943 TYR 124 HE1 -0.0043 -0.0133 0.0005 1944 TYR 124 HE2 -0.0025 -0.0073 -0.0026 1945 TYR 124 HH -0.0017 -0.0096 -0.0001 1946 VAL 125 N -0.0095 0.0007 -0.0009 1947 VAL 125 CA -0.0072 0.0007 0.0004 1948 VAL 125 C -0.0055 0.0009 0.0014 1949 VAL 125 O -0.0035 0.0009 0.0026 1950 VAL 125 CB -0.0067 -0.0017 0.0007 1951 VAL 125 CG1 -0.0080 -0.0018 -0.0000 1952 VAL 125 CG2 -0.0071 -0.0042 0.0005 1953 VAL 125 H -0.0101 -0.0007 -0.0012 1954 VAL 125 HA -0.0070 0.0024 0.0006 1955 VAL 125 HB -0.0049 -0.0017 0.0018 1956 VAL 125 HG11 -0.0076 -0.0035 0.0002 1957 VAL 125 HG12 -0.0076 -0.0001 0.0002 1958 VAL 125 HG13 -0.0098 -0.0018 -0.0011 1959 VAL 125 HG21 -0.0067 -0.0059 0.0007 1960 VAL 125 HG22 -0.0089 -0.0042 -0.0005 1961 VAL 125 HG23 -0.0060 -0.0041 0.0011 1962 GLN 126 N -0.0069 -0.0010 -0.0026 1963 GLN 126 CA -0.0080 -0.0018 -0.0040 1964 GLN 126 C -0.0075 0.0025 0.0019 1965 GLN 126 O -0.0110 0.0066 0.0066 1966 GLN 126 CB -0.0158 -0.0034 -0.0083 1967 GLN 126 CG -0.0229 0.0007 -0.0048 1968 GLN 126 CD -0.0295 0.0002 -0.0072 1969 GLN 126 OE1 -0.0355 -0.0008 -0.0103 1970 GLN 126 NE2 -0.0282 0.0010 -0.0059 1971 GLN 126 H -0.0111 -0.0011 -0.0040 1972 GLN 126 HA -0.0033 -0.0048 -0.0068 1973 GLN 126 HB3 -0.0160 -0.0063 -0.0124 1974 GLN 126 HB2 -0.0160 -0.0048 -0.0104 1975 GLN 126 HG3 -0.0213 0.0042 0.0003 1976 GLN 126 HG2 -0.0250 0.0005 -0.0056 1977 GLN 126 HE22 -0.0324 0.0008 -0.0073 1978 GLN 126 HE21 -0.0231 0.0018 -0.0033 1979 GLY 127 N 0.0242 0.0066 0.0226 1980 GLY 127 CA 0.0330 0.0170 0.0265 1981 GLY 127 C 0.0339 0.0195 0.0264 1982 GLY 127 O 0.0408 0.0289 0.0290 1983 GLY 127 H 0.0260 -0.0024 0.0273 1984 GLY 127 HA3 0.0327 0.0263 0.0229 1985 GLY 127 HA2 0.0406 0.0149 0.0338 1986 CYS 128 N 0.0213 0.0083 0.0181 1987 CYS 128 CA 0.0209 0.0106 0.0168 1988 CYS 128 C 0.0246 0.0077 0.0203 1989 CYS 128 O 0.0249 0.0103 0.0194 1990 CYS 128 CB 0.0138 0.0095 0.0130 1991 CYS 128 SG 0.0089 0.0138 0.0082 1992 CYS 128 H 0.0181 0.0041 0.0180 1993 CYS 128 HA 0.0227 0.0162 0.0155 1994 CYS 128 HB3 0.0136 0.0112 0.0122 1995 CYS 128 HB2 0.0117 0.0041 0.0142 1996 GLY 129 N 0.0357 0.0070 0.0296 1997 GLY 129 CA 0.0384 0.0049 0.0321 1998 GLY 129 C 0.0290 0.0014 0.0333 1999 GLY 129 O 0.0292 0.0022 0.0327 2000 GLY 129 H 0.0367 0.0031 0.0334 2001 GLY 129 HA3 0.0426 0.0101 0.0282 2002 GLY 129 HA2 0.0442 0.0006 0.0372 2003 VAL 130 N 0.0203 0.0028 0.0236 2004 VAL 130 CA 0.0148 -0.0011 0.0235 2005 VAL 130 C 0.0131 -0.0075 0.0274 2006 VAL 130 O 0.0084 -0.0111 0.0275 2007 VAL 130 CB 0.0087 0.0009 0.0186 2008 VAL 130 CG1 0.0095 0.0067 0.0147 2009 VAL 130 CG2 0.0069 0.0011 0.0175 2010 VAL 130 OXT 0.0165 -0.0079 0.0296 2011 VAL 130 H 0.0198 0.0035 0.0228 2012 VAL 130 HA 0.0160 -0.0011 0.0242 2013 VAL 130 HB 0.0047 -0.0024 0.0189 2014 VAL 130 HG11 0.0050 0.0080 0.0113 2015 VAL 130 HG12 0.0104 0.0063 0.0156 2016 VAL 130 HG13 0.0135 0.0101 0.0144 2017 VAL 130 HG21 0.0025 0.0026 0.0140 2018 VAL 130 HG22 0.0108 0.0042 0.0174 2019 VAL 130 HG23 0.0060 -0.0033 0.0203