1 LYS 1 N -0.0007 -0.0191 -0.0188 2 LYS 1 CA 0.0003 -0.0175 -0.0168 3 LYS 1 C 0.0008 -0.0166 -0.0168 4 LYS 1 O 0.0001 -0.0178 -0.0171 5 LYS 1 CB -0.0002 -0.0187 -0.0144 6 LYS 1 CG 0.0005 -0.0177 -0.0121 7 LYS 1 CD -0.0002 -0.0191 -0.0099 8 LYS 1 CE 0.0005 -0.0181 -0.0075 9 LYS 1 NZ -0.0001 -0.0194 -0.0054 10 LYS 1 H1 -0.0011 -0.0197 -0.0188 11 LYS 1 H2 -0.0004 -0.0184 -0.0204 12 LYS 1 H3 -0.0014 -0.0203 -0.0184 13 LYS 1 HA 0.0010 -0.0162 -0.0172 14 LYS 1 HB3 -0.0011 -0.0202 -0.0144 15 LYS 1 HB2 -0.0005 -0.0192 -0.0144 16 LYS 1 HG3 0.0013 -0.0162 -0.0120 17 LYS 1 HG2 0.0007 -0.0173 -0.0120 18 LYS 1 HD3 -0.0011 -0.0206 -0.0100 19 LYS 1 HD2 -0.0005 -0.0195 -0.0099 20 LYS 1 HE3 0.0014 -0.0165 -0.0075 21 LYS 1 HE2 0.0006 -0.0180 -0.0073 22 LYS 1 HZ1 0.0004 -0.0186 -0.0038 23 LYS 1 HZ2 -0.0002 -0.0196 -0.0056 24 LYS 1 HZ3 -0.0010 -0.0208 -0.0053 25 VAL 2 N 0.0051 -0.0205 -0.0282 26 VAL 2 CA 0.0097 -0.0163 -0.0224 27 VAL 2 C 0.0066 -0.0135 -0.0179 28 VAL 2 O 0.0073 -0.0145 -0.0194 29 VAL 2 CB 0.0185 -0.0166 -0.0237 30 VAL 2 CG1 0.0229 -0.0120 -0.0173 31 VAL 2 CG2 0.0215 -0.0195 -0.0284 32 VAL 2 H 0.0063 -0.0227 -0.0317 33 VAL 2 HA 0.0088 -0.0147 -0.0199 34 VAL 2 HB 0.0197 -0.0181 -0.0261 35 VAL 2 HG11 0.0292 -0.0123 -0.0184 36 VAL 2 HG12 0.0208 -0.0100 -0.0141 37 VAL 2 HG13 0.0218 -0.0105 -0.0150 38 VAL 2 HG21 0.0278 -0.0197 -0.0294 39 VAL 2 HG22 0.0203 -0.0180 -0.0261 40 VAL 2 HG23 0.0185 -0.0228 -0.0330 41 PHE 3 N 0.0020 -0.0011 -0.0063 42 PHE 3 CA 0.0002 0.0004 -0.0045 43 PHE 3 C 0.0003 0.0035 -0.0046 44 PHE 3 O 0.0019 0.0048 -0.0061 45 PHE 3 CB 0.0002 0.0004 -0.0045 46 PHE 3 CG -0.0006 -0.0022 -0.0038 47 PHE 3 CD1 0.0007 -0.0045 -0.0050 48 PHE 3 CD2 -0.0025 -0.0024 -0.0019 49 PHE 3 CE1 -0.0000 -0.0070 -0.0043 50 PHE 3 CE2 -0.0032 -0.0048 -0.0012 51 PHE 3 CZ -0.0020 -0.0071 -0.0024 52 PHE 3 H 0.0032 -0.0016 -0.0074 53 PHE 3 HA -0.0011 -0.0006 -0.0032 54 PHE 3 HB3 -0.0007 0.0022 -0.0036 55 PHE 3 HB2 0.0017 0.0010 -0.0059 56 PHE 3 HD1 0.0022 -0.0045 -0.0064 57 PHE 3 HD2 -0.0035 -0.0006 -0.0009 58 PHE 3 HE1 0.0009 -0.0088 -0.0052 59 PHE 3 HE2 -0.0048 -0.0048 0.0003 60 PHE 3 HZ -0.0025 -0.0090 -0.0019 61 GLU 4 N 0.0020 0.0131 -0.0100 62 GLU 4 CA 0.0110 0.0092 -0.0025 63 GLU 4 C 0.0055 0.0087 0.0092 64 GLU 4 O -0.0038 0.0114 0.0091 65 GLU 4 CB 0.0192 0.0077 -0.0075 66 GLU 4 CG 0.0250 0.0080 -0.0186 67 GLU 4 CD 0.0319 0.0071 -0.0250 68 GLU 4 OE1 0.0405 0.0038 -0.0206 69 GLU 4 OE2 0.0293 0.0097 -0.0352 70 GLU 4 H 0.0002 0.0147 -0.0157 71 GLU 4 HA 0.0155 0.0076 -0.0010 72 GLU 4 HB3 0.0254 0.0047 -0.0013 73 GLU 4 HB2 0.0146 0.0093 -0.0091 74 GLU 4 HG3 0.0188 0.0108 -0.0243 75 GLU 4 HG2 0.0304 0.0061 -0.0169 76 ARG 5 N 0.0008 0.0147 0.0069 77 ARG 5 CA 0.0010 0.0144 0.0063 78 ARG 5 C 0.0015 0.0142 0.0062 79 ARG 5 O 0.0020 0.0141 0.0061 80 ARG 5 CB 0.0004 0.0143 0.0059 81 ARG 5 CG 0.0006 0.0139 0.0053 82 ARG 5 CD -0.0000 0.0139 0.0050 83 ARG 5 NE -0.0002 0.0139 0.0050 84 ARG 5 CZ -0.0001 0.0137 0.0046 85 ARG 5 NH1 0.0003 0.0135 0.0043 86 ARG 5 NH2 -0.0003 0.0138 0.0046 87 ARG 5 H 0.0004 0.0147 0.0069 88 ARG 5 HA 0.0011 0.0143 0.0063 89 ARG 5 HB3 0.0003 0.0143 0.0060 90 ARG 5 HB2 0.0001 0.0144 0.0060 91 ARG 5 HG3 0.0007 0.0139 0.0053 92 ARG 5 HG2 0.0009 0.0138 0.0052 93 ARG 5 HD3 -0.0004 0.0140 0.0051 94 ARG 5 HD2 0.0000 0.0137 0.0046 95 ARG 5 HE -0.0005 0.0141 0.0053 96 ARG 5 HH12 0.0005 0.0133 0.0040 97 ARG 5 HH11 0.0005 0.0134 0.0042 98 ARG 5 HH22 -0.0002 0.0136 0.0044 99 ARG 5 HH21 -0.0006 0.0139 0.0049 100 CYS 6 N 0.0006 0.0192 0.0019 101 CYS 6 CA 0.0001 0.0193 0.0022 102 CYS 6 C -0.0008 0.0196 0.0012 103 CYS 6 O -0.0016 0.0198 0.0015 104 CYS 6 CB 0.0011 0.0190 0.0023 105 CYS 6 SG 0.0020 0.0187 0.0036 106 CYS 6 H 0.0015 0.0190 0.0016 107 CYS 6 HA -0.0004 0.0193 0.0030 108 CYS 6 HB3 0.0007 0.0191 0.0023 109 CYS 6 HB2 0.0016 0.0190 0.0015 110 GLU 7 N -0.0021 0.0199 0.0010 111 GLU 7 CA -0.0056 0.0154 -0.0005 112 GLU 7 C -0.0053 0.0151 -0.0007 113 GLU 7 O -0.0094 0.0141 -0.0000 114 GLU 7 CB -0.0034 0.0109 -0.0037 115 GLU 7 CG -0.0066 0.0060 -0.0055 116 GLU 7 CD -0.0039 0.0015 -0.0088 117 GLU 7 OE1 0.0012 0.0021 -0.0101 118 GLU 7 OE2 -0.0068 -0.0026 -0.0103 119 GLU 7 H 0.0010 0.0195 -0.0002 120 GLU 7 HA -0.0098 0.0154 0.0008 121 GLU 7 HB3 0.0009 0.0110 -0.0050 122 GLU 7 HB2 -0.0032 0.0112 -0.0036 123 GLU 7 HG3 -0.0106 0.0056 -0.0044 124 GLU 7 HG2 -0.0073 0.0059 -0.0053 125 LEU 8 N -0.0052 0.0087 0.0026 126 LEU 8 CA -0.0055 0.0088 0.0027 127 LEU 8 C -0.0059 0.0092 0.0033 128 LEU 8 O -0.0064 0.0092 0.0034 129 LEU 8 CB -0.0049 0.0088 0.0027 130 LEU 8 CG -0.0052 0.0088 0.0028 131 LEU 8 CD1 -0.0057 0.0085 0.0024 132 LEU 8 CD2 -0.0045 0.0089 0.0028 133 LEU 8 H -0.0047 0.0087 0.0026 134 LEU 8 HA -0.0059 0.0085 0.0024 135 LEU 8 HB3 -0.0045 0.0090 0.0030 136 LEU 8 HB2 -0.0046 0.0085 0.0023 137 LEU 8 HG -0.0054 0.0091 0.0032 138 LEU 8 HD11 -0.0059 0.0086 0.0025 139 LEU 8 HD12 -0.0062 0.0085 0.0024 140 LEU 8 HD13 -0.0055 0.0082 0.0019 141 LEU 8 HD21 -0.0047 0.0089 0.0029 142 LEU 8 HD22 -0.0042 0.0086 0.0024 143 LEU 8 HD23 -0.0042 0.0091 0.0031 144 ALA 9 N -0.0068 0.0140 -0.0014 145 ALA 9 CA -0.0062 0.0123 -0.0015 146 ALA 9 C -0.0045 0.0129 -0.0023 147 ALA 9 O -0.0044 0.0127 -0.0023 148 ALA 9 CB -0.0059 0.0103 -0.0015 149 ALA 9 H -0.0068 0.0137 -0.0014 150 ALA 9 HA -0.0075 0.0122 -0.0011 151 ALA 9 HB1 -0.0055 0.0091 -0.0016 152 ALA 9 HB2 -0.0072 0.0098 -0.0010 153 ALA 9 HB3 -0.0047 0.0104 -0.0020 154 ARG 10 N -0.0031 0.0153 -0.0068 155 ARG 10 CA -0.0015 0.0148 -0.0059 156 ARG 10 C -0.0032 0.0153 -0.0068 157 ARG 10 O -0.0030 0.0138 -0.0060 158 ARG 10 CB 0.0015 0.0168 -0.0056 159 ARG 10 CG 0.0038 0.0160 -0.0043 160 ARG 10 CD 0.0068 0.0179 -0.0041 161 ARG 10 NE 0.0068 0.0208 -0.0056 162 ARG 10 CZ 0.0071 0.0218 -0.0060 163 ARG 10 NH1 0.0077 0.0202 -0.0049 164 ARG 10 NH2 0.0070 0.0245 -0.0075 165 ARG 10 H -0.0024 0.0169 -0.0073 166 ARG 10 HA -0.0011 0.0127 -0.0046 167 ARG 10 HB3 0.0024 0.0168 -0.0053 168 ARG 10 HB2 0.0012 0.0189 -0.0069 169 ARG 10 HG3 0.0031 0.0163 -0.0048 170 ARG 10 HG2 0.0040 0.0138 -0.0030 171 ARG 10 HD3 0.0084 0.0171 -0.0029 172 ARG 10 HD2 0.0073 0.0178 -0.0038 173 ARG 10 HE 0.0066 0.0221 -0.0064 174 ARG 10 HH12 0.0080 0.0210 -0.0052 175 ARG 10 HH11 0.0079 0.0182 -0.0037 176 ARG 10 HH22 0.0073 0.0252 -0.0078 177 ARG 10 HH21 0.0066 0.0257 -0.0083 178 THR 11 N -0.0109 0.0102 -0.0013 179 THR 11 CA -0.0082 0.0091 0.0002 180 THR 11 C -0.0048 0.0120 -0.0007 181 THR 11 O -0.0040 0.0128 -0.0010 182 THR 11 CB -0.0065 0.0059 0.0027 183 THR 11 OG1 -0.0098 0.0031 0.0035 184 THR 11 CG2 -0.0036 0.0046 0.0043 185 THR 11 H -0.0111 0.0090 -0.0006 186 THR 11 HA -0.0099 0.0084 0.0001 187 THR 11 HB -0.0050 0.0064 0.0028 188 THR 11 HG1 -0.0111 0.0034 0.0030 189 THR 11 HG21 -0.0025 0.0023 0.0061 190 THR 11 HG22 -0.0012 0.0067 0.0037 191 THR 11 HG23 -0.0052 0.0040 0.0043 192 LEU 12 N -0.0054 0.0096 0.0009 193 LEU 12 CA -0.0040 0.0108 0.0005 194 LEU 12 C -0.0031 0.0115 -0.0024 195 LEU 12 O -0.0013 0.0132 -0.0029 196 LEU 12 CB -0.0051 0.0098 0.0011 197 LEU 12 CG -0.0058 0.0094 0.0043 198 LEU 12 CD1 -0.0069 0.0083 0.0046 199 LEU 12 CD2 -0.0039 0.0112 0.0061 200 LEU 12 H -0.0069 0.0082 0.0013 201 LEU 12 HA -0.0028 0.0120 0.0020 202 LEU 12 HB3 -0.0041 0.0107 0.0005 203 LEU 12 HB2 -0.0064 0.0085 -0.0002 204 LEU 12 HG -0.0068 0.0084 0.0049 205 LEU 12 HD11 -0.0074 0.0080 0.0068 206 LEU 12 HD12 -0.0083 0.0070 0.0033 207 LEU 12 HD13 -0.0059 0.0092 0.0039 208 LEU 12 HD21 -0.0045 0.0108 0.0083 209 LEU 12 HD22 -0.0028 0.0122 0.0055 210 LEU 12 HD23 -0.0032 0.0118 0.0059 211 LYS 13 N -0.0072 0.0198 -0.0074 212 LYS 13 CA -0.0019 0.0164 -0.0116 213 LYS 13 C 0.0035 0.0238 -0.0150 214 LYS 13 O 0.0052 0.0248 -0.0162 215 LYS 13 CB 0.0021 0.0087 -0.0151 216 LYS 13 CG 0.0076 0.0046 -0.0195 217 LYS 13 CD 0.0083 -0.0052 -0.0208 218 LYS 13 CE 0.0127 -0.0094 -0.0244 219 LYS 13 NZ 0.0119 -0.0194 -0.0246 220 LYS 13 H -0.0074 0.0175 -0.0074 221 LYS 13 HA -0.0047 0.0138 -0.0097 222 LYS 13 HB3 0.0048 0.0111 -0.0170 223 LYS 13 HB2 -0.0019 0.0035 -0.0126 224 LYS 13 HG3 0.0059 0.0056 -0.0182 225 LYS 13 HG2 0.0128 0.0081 -0.0231 226 LYS 13 HD3 0.0111 -0.0061 -0.0229 227 LYS 13 HD2 0.0029 -0.0086 -0.0171 228 LYS 13 HE3 0.0105 -0.0074 -0.0226 229 LYS 13 HE2 0.0184 -0.0072 -0.0284 230 LYS 13 HZ1 0.0114 -0.0211 -0.0243 231 LYS 13 HZ2 0.0164 -0.0222 -0.0281 232 LYS 13 HZ3 0.0075 -0.0217 -0.0215 233 ARG 14 N -0.0059 0.0246 -0.0236 234 ARG 14 CA -0.0050 0.0249 -0.0233 235 ARG 14 C 0.0040 0.0278 -0.0197 236 ARG 14 O 0.0062 0.0310 -0.0215 237 ARG 14 CB -0.0094 0.0174 -0.0182 238 ARG 14 CG -0.0186 0.0150 -0.0226 239 ARG 14 CD -0.0221 0.0090 -0.0186 240 ARG 14 NE -0.0205 0.0034 -0.0111 241 ARG 14 CZ -0.0253 -0.0017 -0.0091 242 ARG 14 NH1 -0.0322 -0.0019 -0.0141 243 ARG 14 NH2 -0.0226 -0.0063 -0.0021 244 ARG 14 H -0.0089 0.0199 -0.0206 245 ARG 14 HA -0.0078 0.0280 -0.0288 246 ARG 14 HB3 -0.0067 0.0171 -0.0159 247 ARG 14 HB2 -0.0084 0.0139 -0.0137 248 ARG 14 HG3 -0.0217 0.0133 -0.0230 249 ARG 14 HG2 -0.0196 0.0194 -0.0281 250 ARG 14 HD3 -0.0288 0.0072 -0.0216 251 ARG 14 HD2 -0.0194 0.0109 -0.0186 252 ARG 14 HE -0.0153 0.0033 -0.0072 253 ARG 14 HH12 -0.0358 -0.0057 -0.0126 254 ARG 14 HH11 -0.0339 0.0018 -0.0195 255 ARG 14 HH22 -0.0260 -0.0102 -0.0004 256 ARG 14 HH21 -0.0172 -0.0059 0.0015 257 LEU 15 N 0.0033 0.0169 -0.0040 258 LEU 15 CA 0.0105 0.0179 -0.0016 259 LEU 15 C 0.0149 0.0223 -0.0061 260 LEU 15 O 0.0211 0.0235 -0.0047 261 LEU 15 CB 0.0119 0.0146 0.0042 262 LEU 15 CG 0.0095 0.0103 0.0097 263 LEU 15 CD1 0.0100 0.0072 0.0148 264 LEU 15 CD2 0.0133 0.0101 0.0120 265 LEU 15 H 0.0007 0.0157 -0.0035 266 LEU 15 HA 0.0118 0.0174 -0.0002 267 LEU 15 HB3 0.0173 0.0158 0.0053 268 LEU 15 HB2 0.0097 0.0145 0.0032 269 LEU 15 HG 0.0041 0.0093 0.0084 270 LEU 15 HD11 0.0083 0.0041 0.0187 271 LEU 15 HD12 0.0069 0.0071 0.0133 272 LEU 15 HD13 0.0153 0.0081 0.0162 273 LEU 15 HD21 0.0114 0.0069 0.0160 274 LEU 15 HD22 0.0187 0.0112 0.0133 275 LEU 15 HD23 0.0126 0.0121 0.0085 276 GLY 16 N 0.0078 0.0231 -0.0094 277 GLY 16 CA 0.0089 0.0222 -0.0115 278 GLY 16 C 0.0031 0.0182 -0.0067 279 GLY 16 O 0.0036 0.0190 -0.0068 280 GLY 16 H 0.0075 0.0185 -0.0126 281 GLY 16 HA3 0.0124 0.0286 -0.0115 282 GLY 16 HA2 0.0115 0.0186 -0.0180 283 MET 17 N -0.0016 0.0109 -0.0013 284 MET 17 CA -0.0023 0.0103 -0.0002 285 MET 17 C -0.0033 0.0093 -0.0030 286 MET 17 O -0.0033 0.0093 -0.0025 287 MET 17 CB -0.0041 0.0085 0.0029 288 MET 17 CG -0.0028 0.0097 0.0061 289 MET 17 SD -0.0005 0.0119 0.0080 290 MET 17 CE -0.0023 0.0102 0.0118 291 MET 17 H -0.0029 0.0097 -0.0009 292 MET 17 HA -0.0005 0.0119 0.0007 293 MET 17 HB3 -0.0047 0.0080 0.0036 294 MET 17 HB2 -0.0058 0.0070 0.0022 295 MET 17 HG3 -0.0042 0.0084 0.0081 296 MET 17 HG2 -0.0018 0.0106 0.0053 297 MET 17 HE1 -0.0012 0.0112 0.0133 298 MET 17 HE2 -0.0027 0.0098 0.0135 299 MET 17 HE3 -0.0041 0.0085 0.0110 300 ASP 18 N -0.0049 0.0051 -0.0102 301 ASP 18 CA -0.0059 -0.0028 -0.0129 302 ASP 18 C -0.0044 -0.0034 -0.0146 303 ASP 18 O 0.0010 -0.0015 -0.0184 304 ASP 18 CB -0.0025 -0.0068 -0.0177 305 ASP 18 CG -0.0046 -0.0152 -0.0198 306 ASP 18 OD1 -0.0098 -0.0186 -0.0167 307 ASP 18 OD2 -0.0010 -0.0187 -0.0246 308 ASP 18 H -0.0014 0.0076 -0.0121 309 ASP 18 HA -0.0108 -0.0055 -0.0098 310 ASP 18 HB3 0.0024 -0.0047 -0.0212 311 ASP 18 HB2 -0.0032 -0.0053 -0.0165 312 GLY 19 N -0.0103 -0.0064 -0.0151 313 GLY 19 CA -0.0091 -0.0064 -0.0164 314 GLY 19 C -0.0084 0.0016 -0.0129 315 GLY 19 O -0.0068 0.0024 -0.0142 316 GLY 19 H -0.0148 -0.0088 -0.0114 317 GLY 19 HA3 -0.0050 -0.0079 -0.0219 318 GLY 19 HA2 -0.0129 -0.0114 -0.0149 319 TYR 20 N -0.0108 0.0048 -0.0014 320 TYR 20 CA -0.0069 0.0063 0.0007 321 TYR 20 C -0.0070 0.0060 -0.0004 322 TYR 20 O -0.0104 0.0053 0.0006 323 TYR 20 CB -0.0073 0.0074 0.0060 324 TYR 20 CG -0.0030 0.0091 0.0080 325 TYR 20 CD1 0.0007 0.0101 0.0082 326 TYR 20 CD2 -0.0026 0.0096 0.0098 327 TYR 20 CE1 0.0047 0.0116 0.0101 328 TYR 20 CE2 0.0014 0.0110 0.0115 329 TYR 20 CZ 0.0051 0.0121 0.0116 330 TYR 20 OH 0.0091 0.0136 0.0134 331 TYR 20 H -0.0134 0.0045 0.0006 332 TYR 20 HA -0.0037 0.0069 -0.0008 333 TYR 20 HB3 -0.0102 0.0069 0.0074 334 TYR 20 HB2 -0.0079 0.0074 0.0067 335 TYR 20 HD1 0.0006 0.0098 0.0068 336 TYR 20 HD2 -0.0055 0.0088 0.0099 337 TYR 20 HE1 0.0076 0.0125 0.0103 338 TYR 20 HE2 0.0016 0.0114 0.0128 339 TYR 20 HH 0.0112 0.0142 0.0135 340 ARG 21 N -0.0097 0.0101 0.0014 341 ARG 21 CA -0.0086 0.0109 0.0016 342 ARG 21 C -0.0109 0.0093 0.0001 343 ARG 21 O -0.0112 0.0090 0.0014 344 ARG 21 CB -0.0072 0.0114 0.0057 345 ARG 21 CG -0.0042 0.0136 0.0067 346 ARG 21 CD -0.0015 0.0157 0.0062 347 ARG 21 NE -0.0016 0.0153 0.0090 348 ARG 21 CZ -0.0006 0.0162 0.0083 349 ARG 21 NH1 0.0014 0.0180 0.0057 350 ARG 21 NH2 -0.0017 0.0152 0.0101 351 ARG 21 H -0.0084 0.0112 0.0001 352 ARG 21 HA -0.0067 0.0126 -0.0002 353 ARG 21 HB3 -0.0069 0.0117 0.0059 354 ARG 21 HB2 -0.0089 0.0099 0.0077 355 ARG 21 HG3 -0.0042 0.0133 0.0097 356 ARG 21 HG2 -0.0041 0.0139 0.0049 357 ARG 21 HD3 0.0006 0.0173 0.0067 358 ARG 21 HD2 -0.0017 0.0159 0.0033 359 ARG 21 HE -0.0025 0.0143 0.0115 360 ARG 21 HH12 0.0022 0.0187 0.0051 361 ARG 21 HH11 0.0022 0.0188 0.0043 362 ARG 21 HH22 -0.0009 0.0158 0.0096 363 ARG 21 HH21 -0.0032 0.0137 0.0121 364 GLY 22 N -0.0140 0.0042 -0.0090 365 GLY 22 CA -0.0170 -0.0048 -0.0100 366 GLY 22 C -0.0210 -0.0128 -0.0061 367 GLY 22 O -0.0237 -0.0204 -0.0062 368 GLY 22 H -0.0116 0.0062 -0.0147 369 GLY 22 HA3 -0.0177 -0.0041 -0.0068 370 GLY 22 HA2 -0.0153 -0.0067 -0.0174 371 ILE 23 N -0.0158 -0.0009 -0.0034 372 ILE 23 CA -0.0168 -0.0033 -0.0020 373 ILE 23 C -0.0179 -0.0050 -0.0037 374 ILE 23 O -0.0178 -0.0046 -0.0045 375 ILE 23 CB -0.0163 -0.0030 0.0006 376 ILE 23 CG1 -0.0152 -0.0011 0.0024 377 ILE 23 CG2 -0.0173 -0.0054 0.0021 378 ILE 23 CD1 -0.0144 -0.0003 0.0046 379 ILE 23 H -0.0153 0.0002 -0.0035 380 ILE 23 HA -0.0171 -0.0040 -0.0014 381 ILE 23 HB -0.0160 -0.0023 0.0000 382 ILE 23 HG13 -0.0145 0.0004 0.0011 383 ILE 23 HG12 -0.0154 -0.0019 0.0033 384 ILE 23 HG21 -0.0170 -0.0051 0.0039 385 ILE 23 HG22 -0.0181 -0.0066 0.0009 386 ILE 23 HG23 -0.0177 -0.0062 0.0026 387 ILE 23 HD11 -0.0136 0.0010 0.0057 388 ILE 23 HD12 -0.0141 0.0006 0.0036 389 ILE 23 HD13 -0.0150 -0.0018 0.0059 390 SER 24 N -0.0176 -0.0151 -0.0036 391 SER 24 CA -0.0148 -0.0166 -0.0061 392 SER 24 C -0.0150 -0.0142 -0.0060 393 SER 24 O -0.0178 -0.0126 -0.0034 394 SER 24 CB -0.0150 -0.0220 -0.0058 395 SER 24 OG -0.0180 -0.0231 -0.0031 396 SER 24 H -0.0196 -0.0174 -0.0018 397 SER 24 HA -0.0122 -0.0158 -0.0084 398 SER 24 HB3 -0.0151 -0.0239 -0.0057 399 SER 24 HB2 -0.0126 -0.0232 -0.0079 400 SER 24 HG -0.0179 -0.0263 -0.0032 401 LEU 25 N -0.0136 -0.0097 -0.0050 402 LEU 25 CA -0.0139 -0.0072 -0.0041 403 LEU 25 C -0.0172 -0.0083 -0.0027 404 LEU 25 O -0.0189 -0.0059 -0.0012 405 LEU 25 CB -0.0107 -0.0071 -0.0056 406 LEU 25 CG -0.0102 -0.0043 -0.0050 407 LEU 25 CD1 -0.0103 -0.0004 -0.0038 408 LEU 25 CD2 -0.0068 -0.0046 -0.0068 409 LEU 25 H -0.0114 -0.0109 -0.0065 410 LEU 25 HA -0.0140 -0.0044 -0.0031 411 LEU 25 HB3 -0.0106 -0.0098 -0.0065 412 LEU 25 HB2 -0.0084 -0.0068 -0.0067 413 LEU 25 HG -0.0123 -0.0049 -0.0042 414 LEU 25 HD11 -0.0099 0.0015 -0.0034 415 LEU 25 HD12 -0.0128 -0.0002 -0.0025 416 LEU 25 HD13 -0.0082 0.0002 -0.0046 417 LEU 25 HD21 -0.0065 -0.0026 -0.0063 418 LEU 25 HD22 -0.0047 -0.0042 -0.0078 419 LEU 25 HD23 -0.0070 -0.0074 -0.0076 420 ALA 26 N -0.0075 -0.0123 -0.0020 421 ALA 26 CA -0.0068 -0.0123 -0.0020 422 ALA 26 C -0.0079 -0.0122 -0.0021 423 ALA 26 O -0.0076 -0.0119 -0.0027 424 ALA 26 CB -0.0060 -0.0129 -0.0008 425 ALA 26 H -0.0075 -0.0126 -0.0013 426 ALA 26 HA -0.0061 -0.0120 -0.0028 427 ALA 26 HB1 -0.0055 -0.0130 -0.0009 428 ALA 26 HB2 -0.0053 -0.0130 -0.0008 429 ALA 26 HB3 -0.0067 -0.0133 -0.0000 430 ASN 27 N -0.0075 -0.0127 -0.0026 431 ASN 27 CA -0.0079 -0.0126 -0.0027 432 ASN 27 C -0.0078 -0.0122 -0.0024 433 ASN 27 O -0.0083 -0.0119 -0.0024 434 ASN 27 CB -0.0077 -0.0131 -0.0029 435 ASN 27 CG -0.0081 -0.0135 -0.0033 436 ASN 27 OD1 -0.0086 -0.0135 -0.0034 437 ASN 27 ND2 -0.0078 -0.0139 -0.0034 438 ASN 27 H -0.0072 -0.0129 -0.0027 439 ASN 27 HA -0.0083 -0.0126 -0.0028 440 ASN 27 HB3 -0.0078 -0.0130 -0.0029 441 ASN 27 HB2 -0.0073 -0.0132 -0.0029 442 ASN 27 HD22 -0.0079 -0.0142 -0.0037 443 ASN 27 HD21 -0.0073 -0.0139 -0.0033 444 TRP 28 N -0.0117 -0.0032 0.0044 445 TRP 28 CA -0.0115 -0.0036 0.0051 446 TRP 28 C -0.0120 -0.0052 0.0055 447 TRP 28 O -0.0117 -0.0057 0.0067 448 TRP 28 CB -0.0118 -0.0030 0.0041 449 TRP 28 CG -0.0112 -0.0013 0.0038 450 TRP 28 CD1 -0.0114 -0.0004 0.0025 451 TRP 28 CD2 -0.0103 -0.0004 0.0048 452 TRP 28 NE1 -0.0107 0.0010 0.0026 453 TRP 28 CE2 -0.0100 0.0011 0.0040 454 TRP 28 CE3 -0.0097 -0.0007 0.0062 455 TRP 28 CZ2 -0.0092 0.0022 0.0047 456 TRP 28 CZ3 -0.0089 0.0004 0.0069 457 TRP 28 CH2 -0.0086 0.0018 0.0061 458 TRP 28 H -0.0120 -0.0027 0.0033 459 TRP 28 HA -0.0108 -0.0031 0.0060 460 TRP 28 HB3 -0.0118 -0.0035 0.0045 461 TRP 28 HB2 -0.0124 -0.0033 0.0031 462 TRP 28 HD1 -0.0121 -0.0008 0.0016 463 TRP 28 HE1 -0.0108 0.0018 0.0018 464 TRP 28 HE3 -0.0099 -0.0018 0.0068 465 TRP 28 HZ2 -0.0090 0.0033 0.0041 466 TRP 28 HZ3 -0.0084 0.0002 0.0080 467 TRP 28 HH2 -0.0080 0.0027 0.0066 468 MET 29 N -0.0068 0.0008 0.0026 469 MET 29 CA -0.0066 0.0021 0.0024 470 MET 29 C -0.0075 0.0025 0.0016 471 MET 29 O -0.0078 0.0035 0.0011 472 MET 29 CB -0.0057 0.0024 0.0032 473 MET 29 CG -0.0048 0.0023 0.0040 474 MET 29 SD -0.0045 0.0036 0.0040 475 MET 29 CE -0.0043 0.0049 0.0038 476 MET 29 H -0.0064 0.0002 0.0031 477 MET 29 HA -0.0065 0.0027 0.0024 478 MET 29 HB3 -0.0057 0.0033 0.0030 479 MET 29 HB2 -0.0058 0.0017 0.0033 480 MET 29 HG3 -0.0042 0.0024 0.0046 481 MET 29 HG2 -0.0048 0.0014 0.0042 482 MET 29 HE1 -0.0041 0.0058 0.0037 483 MET 29 HE2 -0.0037 0.0048 0.0044 484 MET 29 HE3 -0.0050 0.0049 0.0032 485 CYS 30 N 0.0041 -0.0040 0.0027 486 CYS 30 CA 0.0035 -0.0039 0.0023 487 CYS 30 C 0.0035 -0.0038 0.0025 488 CYS 30 O 0.0030 -0.0035 0.0026 489 CYS 30 CB 0.0034 -0.0044 0.0016 490 CYS 30 SG 0.0026 -0.0043 0.0011 491 CYS 30 H 0.0044 -0.0043 0.0024 492 CYS 30 HA 0.0030 -0.0036 0.0025 493 CYS 30 HB3 0.0038 -0.0047 0.0014 494 CYS 30 HB2 0.0034 -0.0044 0.0015 495 LEU 31 N -0.0021 -0.0019 0.0031 496 LEU 31 CA -0.0026 -0.0021 0.0023 497 LEU 31 C -0.0025 -0.0015 0.0019 498 LEU 31 O -0.0026 -0.0012 0.0011 499 LEU 31 CB -0.0031 -0.0029 0.0026 500 LEU 31 CG -0.0036 -0.0031 0.0019 501 LEU 31 CD1 -0.0040 -0.0032 0.0013 502 LEU 31 CD2 -0.0040 -0.0038 0.0022 503 LEU 31 H -0.0021 -0.0023 0.0036 504 LEU 31 HA -0.0029 -0.0021 0.0019 505 LEU 31 HB3 -0.0028 -0.0029 0.0030 506 LEU 31 HB2 -0.0032 -0.0033 0.0029 507 LEU 31 HG -0.0035 -0.0027 0.0015 508 LEU 31 HD11 -0.0044 -0.0034 0.0008 509 LEU 31 HD12 -0.0038 -0.0027 0.0010 510 LEU 31 HD13 -0.0042 -0.0036 0.0016 511 LEU 31 HD21 -0.0044 -0.0040 0.0017 512 LEU 31 HD22 -0.0041 -0.0043 0.0026 513 LEU 31 HD23 -0.0037 -0.0037 0.0026 514 ALA 32 N -0.0071 0.0029 0.0061 515 ALA 32 CA -0.0069 0.0032 0.0053 516 ALA 32 C -0.0060 0.0044 0.0047 517 ALA 32 O -0.0059 0.0046 0.0035 518 ALA 32 CB -0.0070 0.0031 0.0063 519 ALA 32 H -0.0073 0.0028 0.0071 520 ALA 32 HA -0.0074 0.0026 0.0044 521 ALA 32 HB1 -0.0069 0.0033 0.0057 522 ALA 32 HB2 -0.0077 0.0022 0.0067 523 ALA 32 HB3 -0.0066 0.0036 0.0072 524 LYS 33 N -0.0027 0.0049 0.0067 525 LYS 33 CA 0.0000 0.0099 0.0047 526 LYS 33 C -0.0005 0.0103 -0.0012 527 LYS 33 O 0.0005 0.0127 -0.0048 528 LYS 33 CB 0.0021 0.0127 0.0085 529 LYS 33 CG 0.0051 0.0181 0.0072 530 LYS 33 CD 0.0059 0.0203 0.0037 531 LYS 33 CE 0.0087 0.0254 0.0016 532 LYS 33 NZ 0.0107 0.0279 0.0055 533 LYS 33 H -0.0029 0.0038 0.0101 534 LYS 33 HA 0.0010 0.0115 0.0047 535 LYS 33 HB3 0.0014 0.0116 0.0078 536 LYS 33 HB2 0.0021 0.0117 0.0127 537 LYS 33 HG3 0.0066 0.0199 0.0111 538 LYS 33 HG2 0.0053 0.0189 0.0054 539 LYS 33 HD3 0.0042 0.0181 0.0002 540 LYS 33 HD2 0.0061 0.0201 0.0058 541 LYS 33 HE3 0.0082 0.0254 -0.0024 542 LYS 33 HE2 0.0097 0.0273 0.0010 543 LYS 33 HZ1 0.0100 0.0269 0.0051 544 LYS 33 HZ2 0.0107 0.0271 0.0094 545 LYS 33 HZ3 0.0126 0.0315 0.0047 546 TRP 34 N 0.0085 0.0164 0.0068 547 TRP 34 CA 0.0032 0.0171 0.0030 548 TRP 34 C -0.0002 0.0184 0.0003 549 TRP 34 O -0.0041 0.0210 -0.0031 550 TRP 34 CB 0.0007 0.0118 0.0028 551 TRP 34 CG 0.0037 0.0119 0.0048 552 TRP 34 CD1 0.0072 0.0081 0.0082 553 TRP 34 CD2 0.0037 0.0164 0.0035 554 TRP 34 NE1 0.0093 0.0099 0.0091 555 TRP 34 CE2 0.0072 0.0149 0.0063 556 TRP 34 CE3 0.0010 0.0214 0.0003 557 TRP 34 CZ2 0.0082 0.0183 0.0060 558 TRP 34 CZ3 0.0021 0.0248 0.0000 559 TRP 34 CH2 0.0055 0.0233 0.0028 560 TRP 34 H 0.0096 0.0122 0.0087 561 TRP 34 HA 0.0035 0.0211 0.0021 562 TRP 34 HB3 -0.0034 0.0122 -0.0001 563 TRP 34 HB2 0.0009 0.0074 0.0041 564 TRP 34 HD1 0.0079 0.0044 0.0097 565 TRP 34 HE1 0.0119 0.0075 0.0116 566 TRP 34 HE3 -0.0017 0.0225 -0.0019 567 TRP 34 HZ2 0.0109 0.0169 0.0082 568 TRP 34 HZ3 0.0001 0.0287 -0.0024 569 TRP 34 HH2 0.0061 0.0261 0.0024 570 GLU 35 N -0.0070 0.0041 0.0007 571 GLU 35 CA -0.0067 0.0026 0.0000 572 GLU 35 C -0.0068 0.0029 0.0005 573 GLU 35 O -0.0066 0.0026 -0.0007 574 GLU 35 CB -0.0067 0.0006 0.0009 575 GLU 35 CG -0.0064 -0.0002 0.0001 576 GLU 35 CD -0.0060 -0.0007 -0.0020 577 GLU 35 OE1 -0.0059 -0.0007 -0.0028 578 GLU 35 OE2 -0.0058 -0.0012 -0.0028 579 GLU 35 H -0.0072 0.0038 0.0019 580 GLU 35 HA -0.0064 0.0025 -0.0015 581 GLU 35 HB3 -0.0065 -0.0004 0.0007 582 GLU 35 HB2 -0.0069 0.0008 0.0024 583 GLU 35 HG3 -0.0064 -0.0014 0.0009 584 GLU 35 HG2 -0.0066 0.0009 0.0003 585 SER 36 N -0.0065 -0.0010 0.0009 586 SER 36 CA -0.0064 -0.0033 -0.0021 587 SER 36 C -0.0049 -0.0041 -0.0027 588 SER 36 O -0.0047 -0.0061 -0.0053 589 SER 36 CB -0.0102 -0.0038 -0.0034 590 SER 36 OG -0.0122 -0.0028 -0.0025 591 SER 36 H -0.0072 0.0001 0.0022 592 SER 36 HA -0.0049 -0.0043 -0.0030 593 SER 36 HB3 -0.0114 -0.0032 -0.0029 594 SER 36 HB2 -0.0102 -0.0056 -0.0057 595 SER 36 HG -0.0137 -0.0015 -0.0011 596 GLY 37 N 0.0022 0.0015 -0.0007 597 GLY 37 CA 0.0058 0.0025 -0.0005 598 GLY 37 C 0.0028 0.0015 -0.0012 599 GLY 37 O 0.0050 0.0015 -0.0033 600 GLY 37 H 0.0016 0.0023 0.0026 601 GLY 37 HA3 0.0091 0.0025 -0.0036 602 GLY 37 HA2 0.0077 0.0041 0.0034 603 TYR 38 N 0.0019 0.0020 -0.0022 604 TYR 38 CA -0.0009 0.0007 -0.0011 605 TYR 38 C -0.0017 -0.0019 -0.0038 606 TYR 38 O -0.0032 -0.0027 -0.0033 607 TYR 38 CB -0.0009 0.0027 0.0015 608 TYR 38 CG 0.0001 0.0056 0.0043 609 TYR 38 CD1 -0.0012 0.0059 0.0060 610 TYR 38 CD2 0.0021 0.0080 0.0054 611 TYR 38 CE1 -0.0003 0.0085 0.0086 612 TYR 38 CE2 0.0029 0.0106 0.0080 613 TYR 38 CZ 0.0017 0.0109 0.0096 614 TYR 38 OH 0.0025 0.0134 0.0122 615 TYR 38 H 0.0016 0.0020 -0.0020 616 TYR 38 HA -0.0030 0.0000 0.0001 617 TYR 38 HB3 -0.0032 0.0017 0.0025 618 TYR 38 HB2 0.0007 0.0030 0.0003 619 TYR 38 HD1 -0.0028 0.0041 0.0053 620 TYR 38 HD2 0.0031 0.0078 0.0041 621 TYR 38 HE1 -0.0013 0.0087 0.0098 622 TYR 38 HE2 0.0045 0.0124 0.0088 623 TYR 38 HH 0.0017 0.0133 0.0128 624 ASN 39 N -0.0111 -0.0140 -0.0093 625 ASN 39 CA -0.0115 -0.0156 -0.0130 626 ASN 39 C -0.0151 -0.0134 -0.0134 627 ASN 39 O -0.0152 -0.0119 -0.0106 628 ASN 39 CB -0.0076 -0.0178 -0.0121 629 ASN 39 CG -0.0076 -0.0196 -0.0156 630 ASN 39 OD1 -0.0103 -0.0197 -0.0191 631 ASN 39 ND2 -0.0046 -0.0212 -0.0147 632 ASN 39 H -0.0103 -0.0130 -0.0064 633 ASN 39 HA -0.0119 -0.0169 -0.0159 634 ASN 39 HB3 -0.0071 -0.0165 -0.0090 635 ASN 39 HB2 -0.0051 -0.0194 -0.0118 636 ASN 39 HD22 -0.0044 -0.0225 -0.0168 637 ASN 39 HD21 -0.0026 -0.0211 -0.0118 638 THR 40 N -0.0119 -0.0113 -0.0140 639 THR 40 CA -0.0137 -0.0112 -0.0146 640 THR 40 C -0.0175 -0.0083 -0.0166 641 THR 40 O -0.0200 -0.0088 -0.0170 642 THR 40 CB -0.0102 -0.0103 -0.0141 643 THR 40 OG1 -0.0083 -0.0060 -0.0153 644 THR 40 CG2 -0.0066 -0.0132 -0.0120 645 THR 40 H -0.0087 -0.0101 -0.0138 646 THR 40 HA -0.0152 -0.0144 -0.0136 647 THR 40 HB -0.0119 -0.0106 -0.0144 648 THR 40 HG1 -0.0078 -0.0048 -0.0157 649 THR 40 HG21 -0.0042 -0.0123 -0.0118 650 THR 40 HG22 -0.0080 -0.0165 -0.0110 651 THR 40 HG23 -0.0048 -0.0130 -0.0117 652 ARG 41 N -0.0284 -0.0177 -0.0325 653 ARG 41 CA -0.0305 -0.0120 -0.0185 654 ARG 41 C -0.0337 -0.0150 0.0028 655 ARG 41 O -0.0357 -0.0102 0.0160 656 ARG 41 CB -0.0299 -0.0266 -0.0220 657 ARG 41 CG -0.0305 -0.0177 -0.0183 658 ARG 41 CD -0.0302 -0.0335 -0.0195 659 ARG 41 NE -0.0330 -0.0342 -0.0011 660 ARG 41 CZ -0.0340 -0.0203 0.0051 661 ARG 41 NH1 -0.0322 -0.0095 -0.0076 662 ARG 41 NH2 -0.0369 -0.0172 0.0243 663 ARG 41 H -0.0276 -0.0321 -0.0370 664 ARG 41 HA -0.0302 0.0035 -0.0209 665 ARG 41 HB3 -0.0312 -0.0398 -0.0128 666 ARG 41 HB2 -0.0276 -0.0323 -0.0371 667 ARG 41 HG3 -0.0289 -0.0060 -0.0292 668 ARG 41 HG2 -0.0327 -0.0107 -0.0038 669 ARG 41 HD3 -0.0297 -0.0481 -0.0223 670 ARG 41 HD2 -0.0284 -0.0299 -0.0318 671 ARG 41 HE -0.0342 -0.0465 0.0071 672 ARG 41 HH12 -0.0330 0.0010 -0.0026 673 ARG 41 HH11 -0.0299 -0.0117 -0.0223 674 ARG 41 HH22 -0.0377 -0.0066 0.0290 675 ARG 41 HH21 -0.0384 -0.0253 0.0343 676 ALA 42 N -0.0245 -0.0128 -0.0089 677 ALA 42 CA -0.0230 -0.0130 -0.0042 678 ALA 42 C -0.0225 -0.0090 -0.0013 679 ALA 42 O -0.0235 -0.0049 -0.0025 680 ALA 42 CB -0.0228 -0.0130 -0.0038 681 ALA 42 H -0.0253 -0.0124 -0.0112 682 ALA 42 HA -0.0221 -0.0164 -0.0029 683 ALA 42 HB1 -0.0216 -0.0131 -0.0002 684 ALA 42 HB2 -0.0230 -0.0160 -0.0057 685 ALA 42 HB3 -0.0237 -0.0097 -0.0051 686 THR 43 N -0.0388 -0.0126 0.0085 687 THR 43 CA -0.0324 -0.0076 0.0131 688 THR 43 C -0.0325 -0.0096 0.0176 689 THR 43 O -0.0367 -0.0154 0.0205 690 THR 43 CB -0.0294 -0.0072 0.0199 691 THR 43 OG1 -0.0332 -0.0136 0.0255 692 THR 43 CG2 -0.0291 -0.0053 0.0160 693 THR 43 H -0.0421 -0.0175 0.0113 694 THR 43 HA -0.0297 -0.0027 0.0086 695 THR 43 HB -0.0248 -0.0036 0.0233 696 THR 43 HG1 -0.0333 -0.0148 0.0280 697 THR 43 HG21 -0.0270 -0.0050 0.0210 698 THR 43 HG22 -0.0264 -0.0004 0.0116 699 THR 43 HG23 -0.0338 -0.0089 0.0127 700 ASN 44 N -0.0182 -0.0051 0.0154 701 ASN 44 CA -0.0128 -0.0034 0.0154 702 ASN 44 C -0.0019 -0.0026 0.0177 703 ASN 44 O 0.0021 0.0023 0.0147 704 ASN 44 CB -0.0151 0.0044 0.0082 705 ASN 44 CG -0.0093 0.0071 0.0074 706 ASN 44 OD1 -0.0095 0.0028 0.0111 707 ASN 44 ND2 -0.0042 0.0144 0.0027 708 ASN 44 H -0.0156 -0.0024 0.0138 709 ASN 44 HA -0.0150 -0.0081 0.0188 710 ASN 44 HB3 -0.0137 0.0088 0.0048 711 ASN 44 HB2 -0.0229 0.0038 0.0066 712 ASN 44 HD22 -0.0002 0.0165 0.0020 713 ASN 44 HD21 -0.0044 0.0177 -0.0002 714 TYR 45 N 0.0289 -0.0040 0.0141 715 TYR 45 CA 0.0255 -0.0018 0.0155 716 TYR 45 C 0.0225 -0.0048 0.0179 717 TYR 45 O 0.0219 -0.0070 0.0188 718 TYR 45 CB 0.0240 0.0019 0.0153 719 TYR 45 CG 0.0204 0.0043 0.0168 720 TYR 45 CD1 0.0202 0.0063 0.0164 721 TYR 45 CD2 0.0172 0.0046 0.0185 722 TYR 45 CE1 0.0169 0.0085 0.0177 723 TYR 45 CE2 0.0139 0.0068 0.0199 724 TYR 45 CZ 0.0138 0.0088 0.0194 725 TYR 45 OH 0.0104 0.0110 0.0208 726 TYR 45 H 0.0292 -0.0039 0.0138 727 TYR 45 HA 0.0261 -0.0006 0.0148 728 TYR 45 HB3 0.0236 0.0008 0.0158 729 TYR 45 HB2 0.0262 0.0040 0.0136 730 TYR 45 HD1 0.0227 0.0062 0.0150 731 TYR 45 HD2 0.0173 0.0031 0.0189 732 TYR 45 HE1 0.0168 0.0100 0.0174 733 TYR 45 HE2 0.0114 0.0070 0.0212 734 TYR 45 HH 0.0105 0.0113 0.0206 735 ASN 46 N 0.0322 -0.0069 0.0081 736 ASN 46 CA 0.0355 -0.0040 0.0092 737 ASN 46 C 0.0386 -0.0057 0.0093 738 ASN 46 O 0.0381 -0.0056 0.0093 739 ASN 46 CB 0.0337 -0.0001 0.0099 740 ASN 46 CG 0.0305 0.0016 0.0097 741 ASN 46 OD1 0.0312 0.0027 0.0101 742 ASN 46 ND2 0.0267 0.0018 0.0092 743 ASN 46 H 0.0302 -0.0070 0.0077 744 ASN 46 HA 0.0369 -0.0035 0.0096 745 ASN 46 HB3 0.0360 0.0020 0.0107 746 ASN 46 HB2 0.0324 -0.0006 0.0095 747 ASN 46 HD22 0.0245 0.0029 0.0091 748 ASN 46 HD21 0.0260 0.0007 0.0088 749 ALA 47 N 0.0239 -0.0073 0.0032 750 ALA 47 CA 0.0030 0.0095 0.0122 751 ALA 47 C -0.0046 -0.0098 0.0000 752 ALA 47 O -0.0079 0.0016 0.0068 753 ALA 47 CB -0.0318 0.0205 0.0169 754 ALA 47 H 0.0134 -0.0092 0.0014 755 ALA 47 HA 0.0176 0.0291 0.0250 756 ALA 47 HB1 -0.0479 0.0332 0.0237 757 ALA 47 HB2 -0.0258 0.0351 0.0261 758 ALA 47 HB3 -0.0462 0.0011 0.0043 759 GLY 48 N -0.0430 -0.0232 0.0261 760 GLY 48 CA -0.0524 -0.0474 0.0096 761 GLY 48 C 0.0107 -0.0278 0.0055 762 GLY 48 O 0.0009 -0.0145 0.0193 763 GLY 48 H -0.0430 -0.0511 0.0035 764 GLY 48 HA3 -0.0643 -0.0958 -0.0259 765 GLY 48 HA2 -0.1012 -0.0360 0.0343 766 ASP 49 N 0.0232 -0.0088 0.0036 767 ASP 49 CA 0.0225 -0.0072 0.0032 768 ASP 49 C 0.0225 -0.0064 0.0016 769 ASP 49 O 0.0219 -0.0051 0.0012 770 ASP 49 CB 0.0225 -0.0072 0.0032 771 ASP 49 CG 0.0230 -0.0077 0.0017 772 ASP 49 OD1 0.0235 -0.0083 0.0006 773 ASP 49 OD2 0.0230 -0.0075 0.0015 774 ASP 49 H 0.0237 -0.0096 0.0027 775 ASP 49 HA 0.0220 -0.0066 0.0042 776 ASP 49 HB3 0.0226 -0.0079 0.0043 777 ASP 49 HB2 0.0219 -0.0060 0.0034 778 ARG 50 N 0.0221 0.0054 0.0103 779 ARG 50 CA 0.0194 0.0028 0.0056 780 ARG 50 C 0.0160 0.0021 0.0113 781 ARG 50 O 0.0118 -0.0009 0.0084 782 ARG 50 CB 0.0139 -0.0017 -0.0009 783 ARG 50 CG 0.0183 -0.0009 -0.0088 784 ARG 50 CD 0.0127 -0.0054 -0.0148 785 ARG 50 NE 0.0132 -0.0052 -0.0151 786 ARG 50 CZ 0.0103 -0.0080 -0.0208 787 ARG 50 NH1 0.0106 -0.0096 -0.0290 788 ARG 50 NH2 0.0077 -0.0090 -0.0182 789 ARG 50 H 0.0278 0.0086 0.0097 790 ARG 50 HA 0.0244 0.0049 0.0018 791 ARG 50 HB3 0.0108 -0.0040 -0.0031 792 ARG 50 HB2 0.0097 -0.0035 0.0023 793 ARG 50 HG3 0.0217 0.0016 -0.0066 794 ARG 50 HG2 0.0222 0.0006 -0.0123 795 ARG 50 HD3 0.0142 -0.0059 -0.0213 796 ARG 50 HD2 0.0069 -0.0083 -0.0125 797 ARG 50 HE 0.0161 -0.0025 -0.0104 798 ARG 50 HH12 0.0084 -0.0118 -0.0335 799 ARG 50 HH11 0.0129 -0.0087 -0.0309 800 ARG 50 HH22 0.0055 -0.0112 -0.0225 801 ARG 50 HH21 0.0080 -0.0075 -0.0120 802 SER 51 N 0.0176 0.0005 0.0042 803 SER 51 CA 0.0168 0.0006 0.0040 804 SER 51 C 0.0170 0.0002 0.0037 805 SER 51 O 0.0177 -0.0001 0.0038 806 SER 51 CB 0.0165 0.0015 0.0046 807 SER 51 OG 0.0171 0.0017 0.0050 808 SER 51 H 0.0181 0.0007 0.0046 809 SER 51 HA 0.0162 0.0004 0.0036 810 SER 51 HB3 0.0165 0.0018 0.0048 811 SER 51 HB2 0.0158 0.0016 0.0044 812 SER 51 HG 0.0176 0.0018 0.0052 813 THR 52 N 0.0116 0.0040 0.0090 814 THR 52 CA 0.0076 0.0030 0.0093 815 THR 52 C 0.0043 0.0057 0.0075 816 THR 52 O 0.0045 0.0069 0.0069 817 THR 52 CB 0.0062 -0.0008 0.0114 818 THR 52 OG1 0.0093 -0.0033 0.0130 819 THR 52 CG2 0.0020 -0.0021 0.0118 820 THR 52 H 0.0118 0.0043 0.0089 821 THR 52 HA 0.0078 0.0032 0.0092 822 THR 52 HB 0.0060 -0.0010 0.0115 823 THR 52 HG1 0.0120 -0.0020 0.0124 824 THR 52 HG21 0.0013 -0.0048 0.0133 825 THR 52 HG22 -0.0004 -0.0003 0.0106 826 THR 52 HG23 0.0022 -0.0020 0.0118 827 ASP 53 N -0.0044 0.0053 0.0067 828 ASP 53 CA -0.0084 0.0078 0.0041 829 ASP 53 C -0.0130 0.0047 0.0051 830 ASP 53 O -0.0143 0.0016 0.0068 831 ASP 53 CB -0.0095 0.0104 0.0021 832 ASP 53 CG -0.0051 0.0133 0.0013 833 ASP 53 OD1 -0.0026 0.0155 0.0004 834 ASP 53 OD2 -0.0041 0.0133 0.0015 835 ASP 53 H -0.0045 0.0040 0.0076 836 ASP 53 HA -0.0073 0.0100 0.0029 837 ASP 53 HB3 -0.0125 0.0122 0.0002 838 ASP 53 HB2 -0.0109 0.0082 0.0033 839 TYR 54 N -0.0133 0.0047 -0.0016 840 TYR 54 CA -0.0149 0.0034 -0.0015 841 TYR 54 C -0.0170 0.0036 -0.0042 842 TYR 54 O -0.0165 0.0053 -0.0064 843 TYR 54 CB -0.0132 0.0042 -0.0008 844 TYR 54 CG -0.0113 0.0037 0.0020 845 TYR 54 CD1 -0.0088 0.0051 0.0026 846 TYR 54 CD2 -0.0120 0.0019 0.0041 847 TYR 54 CE1 -0.0071 0.0047 0.0053 848 TYR 54 CE2 -0.0103 0.0015 0.0067 849 TYR 54 CZ -0.0078 0.0029 0.0072 850 TYR 54 OH -0.0061 0.0024 0.0099 851 TYR 54 H -0.0122 0.0062 -0.0030 852 TYR 54 HA -0.0158 0.0017 0.0000 853 TYR 54 HB3 -0.0144 0.0035 -0.0012 854 TYR 54 HB2 -0.0121 0.0059 -0.0023 855 TYR 54 HD1 -0.0082 0.0065 0.0011 856 TYR 54 HD2 -0.0139 0.0009 0.0036 857 TYR 54 HE1 -0.0052 0.0058 0.0057 858 TYR 54 HE2 -0.0109 0.0000 0.0083 859 TYR 54 HH -0.0044 0.0036 0.0100 860 GLY 55 N -0.0196 -0.0014 -0.0060 861 GLY 55 CA -0.0192 -0.0021 -0.0078 862 GLY 55 C -0.0190 -0.0035 -0.0077 863 GLY 55 O -0.0191 -0.0044 -0.0063 864 GLY 55 H -0.0196 -0.0020 -0.0054 865 GLY 55 HA3 -0.0192 -0.0009 -0.0087 866 GLY 55 HA2 -0.0190 -0.0026 -0.0085 867 ILE 56 N -0.0132 -0.0017 -0.0045 868 ILE 56 CA -0.0121 -0.0021 -0.0034 869 ILE 56 C -0.0129 -0.0035 -0.0027 870 ILE 56 O -0.0124 -0.0037 -0.0021 871 ILE 56 CB -0.0105 -0.0022 -0.0023 872 ILE 56 CG1 -0.0090 -0.0022 -0.0014 873 ILE 56 CG2 -0.0110 -0.0035 -0.0015 874 ILE 56 CD1 -0.0073 -0.0018 -0.0007 875 ILE 56 H -0.0130 -0.0017 -0.0044 876 ILE 56 HA -0.0116 -0.0012 -0.0039 877 ILE 56 HB -0.0101 -0.0012 -0.0030 878 ILE 56 HG13 -0.0089 -0.0014 -0.0021 879 ILE 56 HG12 -0.0093 -0.0032 -0.0006 880 ILE 56 HG21 -0.0099 -0.0035 -0.0008 881 ILE 56 HG22 -0.0120 -0.0034 -0.0022 882 ILE 56 HG23 -0.0116 -0.0045 -0.0009 883 ILE 56 HD11 -0.0063 -0.0018 -0.0001 884 ILE 56 HD12 -0.0070 -0.0006 -0.0015 885 ILE 56 HD13 -0.0075 -0.0026 -0.0001 886 PHE 57 N -0.0079 0.0044 0.0031 887 PHE 57 CA -0.0083 0.0029 0.0013 888 PHE 57 C -0.0093 0.0026 -0.0005 889 PHE 57 O -0.0097 0.0012 -0.0021 890 PHE 57 CB -0.0069 0.0007 0.0018 891 PHE 57 CG -0.0058 0.0006 0.0035 892 PHE 57 CD1 -0.0062 0.0011 0.0033 893 PHE 57 CD2 -0.0044 -0.0001 0.0052 894 PHE 57 CE1 -0.0052 0.0010 0.0048 895 PHE 57 CE2 -0.0034 -0.0002 0.0067 896 PHE 57 CZ -0.0037 0.0004 0.0065 897 PHE 57 H -0.0072 0.0040 0.0038 898 PHE 57 HA -0.0088 0.0034 0.0009 899 PHE 57 HB3 -0.0072 -0.0005 0.0005 900 PHE 57 HB2 -0.0064 0.0001 0.0022 901 PHE 57 HD1 -0.0072 0.0016 0.0020 902 PHE 57 HD2 -0.0041 -0.0005 0.0053 903 PHE 57 HE1 -0.0055 0.0015 0.0047 904 PHE 57 HE2 -0.0023 -0.0008 0.0080 905 PHE 57 HZ -0.0030 0.0003 0.0077 906 GLN 58 N -0.0157 0.0056 -0.0047 907 GLN 58 CA -0.0144 0.0056 -0.0032 908 GLN 58 C -0.0121 0.0068 -0.0036 909 GLN 58 O -0.0111 0.0075 -0.0040 910 GLN 58 CB -0.0155 0.0051 -0.0034 911 GLN 58 CG -0.0176 0.0037 -0.0025 912 GLN 58 CD -0.0172 0.0028 0.0000 913 GLN 58 OE1 -0.0166 0.0025 0.0012 914 GLN 58 NE2 -0.0173 0.0023 0.0009 915 GLN 58 H -0.0166 0.0049 -0.0040 916 GLN 58 HA -0.0143 0.0048 -0.0015 917 GLN 58 HB3 -0.0143 0.0053 -0.0026 918 GLN 58 HB2 -0.0158 0.0058 -0.0051 919 GLN 58 HG3 -0.0185 0.0035 -0.0030 920 GLN 58 HG2 -0.0187 0.0035 -0.0031 921 GLN 58 HE22 -0.0170 0.0017 0.0025 922 GLN 58 HE21 -0.0177 0.0026 -0.0001 923 ILE 59 N -0.0065 0.0059 -0.0003 924 ILE 59 CA -0.0055 0.0042 -0.0009 925 ILE 59 C -0.0062 0.0047 -0.0012 926 ILE 59 O -0.0064 0.0061 -0.0001 927 ILE 59 CB -0.0034 0.0036 0.0004 928 ILE 59 CG1 -0.0027 0.0028 0.0003 929 ILE 59 CG2 -0.0023 0.0022 0.0001 930 ILE 59 CD1 -0.0008 0.0026 0.0018 931 ILE 59 H -0.0058 0.0067 0.0010 932 ILE 59 HA -0.0058 0.0031 -0.0022 933 ILE 59 HB -0.0031 0.0049 0.0017 934 ILE 59 HG13 -0.0037 0.0037 0.0001 935 ILE 59 HG12 -0.0027 0.0014 -0.0009 936 ILE 59 HG21 -0.0008 0.0018 0.0011 937 ILE 59 HG22 -0.0028 0.0028 0.0002 938 ILE 59 HG23 -0.0026 0.0009 -0.0012 939 ILE 59 HD11 -0.0005 0.0020 0.0016 940 ILE 59 HD12 -0.0008 0.0040 0.0030 941 ILE 59 HD13 0.0002 0.0017 0.0019 942 ASN 60 N -0.0047 0.0099 0.0008 943 ASN 60 CA -0.0014 0.0082 0.0008 944 ASN 60 C -0.0005 0.0059 0.0014 945 ASN 60 O -0.0011 0.0066 0.0013 946 ASN 60 CB 0.0012 0.0108 -0.0005 947 ASN 60 CG 0.0046 0.0094 -0.0006 948 ASN 60 OD1 0.0068 0.0090 -0.0009 949 ASN 60 ND2 0.0051 0.0085 -0.0004 950 ASN 60 H -0.0048 0.0121 0.0000 951 ASN 60 HA -0.0015 0.0068 0.0013 952 ASN 60 HB3 0.0013 0.0122 -0.0010 953 ASN 60 HB2 0.0003 0.0125 -0.0010 954 ASN 60 HD22 0.0073 0.0076 -0.0005 955 ASN 60 HD21 0.0032 0.0087 -0.0002 956 SER 61 N 0.0017 0.0051 0.0027 957 SER 61 CA 0.0023 0.0038 0.0031 958 SER 61 C 0.0033 0.0031 0.0022 959 SER 61 O 0.0039 0.0021 0.0025 960 SER 61 CB 0.0022 0.0036 0.0037 961 SER 61 OG 0.0025 0.0039 0.0026 962 SER 61 H 0.0015 0.0055 0.0024 963 SER 61 HA 0.0022 0.0035 0.0039 964 SER 61 HB3 0.0015 0.0041 0.0043 965 SER 61 HB2 0.0027 0.0026 0.0041 966 SER 61 HG 0.0029 0.0033 0.0027 967 ARG 62 N 0.0070 -0.0036 -0.0018 968 ARG 62 CA 0.0057 -0.0036 -0.0014 969 ARG 62 C 0.0052 -0.0039 -0.0008 970 ARG 62 O 0.0041 -0.0037 -0.0008 971 ARG 62 CB 0.0057 -0.0040 -0.0007 972 ARG 62 CG 0.0044 -0.0040 -0.0001 973 ARG 62 CD 0.0042 -0.0041 0.0001 974 ARG 62 NE 0.0038 -0.0037 -0.0009 975 ARG 62 CZ 0.0045 -0.0035 -0.0014 976 ARG 62 NH1 0.0056 -0.0038 -0.0009 977 ARG 62 NH2 0.0041 -0.0032 -0.0022 978 ARG 62 H 0.0077 -0.0038 -0.0014 979 ARG 62 HA 0.0052 -0.0033 -0.0021 980 ARG 62 HB3 0.0063 -0.0043 0.0000 981 ARG 62 HB2 0.0060 -0.0038 -0.0011 982 ARG 62 HG3 0.0037 -0.0037 -0.0008 983 ARG 62 HG2 0.0042 -0.0044 0.0006 984 ARG 62 HD3 0.0035 -0.0044 0.0008 985 ARG 62 HD2 0.0051 -0.0043 0.0004 986 ARG 62 HE 0.0029 -0.0035 -0.0012 987 ARG 62 HH12 0.0062 -0.0037 -0.0012 988 ARG 62 HH11 0.0058 -0.0042 -0.0002 989 ARG 62 HH22 0.0046 -0.0031 -0.0025 990 ARG 62 HH21 0.0032 -0.0030 -0.0024 991 TYR 63 N 0.0053 -0.0043 -0.0070 992 TYR 63 CA 0.0053 -0.0071 -0.0048 993 TYR 63 C 0.0021 -0.0089 0.0040 994 TYR 63 O 0.0029 -0.0137 0.0063 995 TYR 63 CB 0.0042 0.0001 -0.0082 996 TYR 63 CG 0.0073 0.0023 -0.0172 997 TYR 63 CD1 0.0115 -0.0031 -0.0222 998 TYR 63 CD2 0.0061 0.0093 -0.0204 999 TYR 63 CE1 0.0144 -0.0014 -0.0304 1000 TYR 63 CE2 0.0091 0.0111 -0.0286 1001 TYR 63 CZ 0.0132 0.0057 -0.0335 1002 TYR 63 OH 0.0161 0.0073 -0.0416 1003 TYR 63 H 0.0029 0.0014 -0.0064 1004 TYR 63 HA 0.0085 -0.0125 -0.0076 1005 TYR 63 HB3 0.0043 -0.0017 -0.0071 1006 TYR 63 HB2 0.0010 0.0054 -0.0053 1007 TYR 63 HD1 0.0124 -0.0087 -0.0198 1008 TYR 63 HD2 0.0029 0.0135 -0.0165 1009 TYR 63 HE1 0.0176 -0.0056 -0.0342 1010 TYR 63 HE2 0.0082 0.0166 -0.0311 1011 TYR 63 HH 0.0147 0.0131 -0.0433 1012 ARG 64 N 0.0023 -0.0021 -0.0008 1013 ARG 64 CA 0.0011 -0.0021 0.0012 1014 ARG 64 C 0.0007 -0.0034 0.0023 1015 ARG 64 O 0.0000 -0.0046 0.0037 1016 ARG 64 CB 0.0006 0.0002 0.0018 1017 ARG 64 CG 0.0009 0.0018 0.0009 1018 ARG 64 CD 0.0015 0.0035 -0.0005 1019 ARG 64 NE 0.0017 0.0049 -0.0012 1020 ARG 64 CZ 0.0011 0.0067 -0.0004 1021 ARG 64 NH1 0.0001 0.0073 0.0011 1022 ARG 64 NH2 0.0014 0.0078 -0.0012 1023 ARG 64 H 0.0026 -0.0015 -0.0014 1024 ARG 64 HA 0.0010 -0.0027 0.0016 1025 ARG 64 HB2 0.0007 0.0009 0.0015 1026 ARG 64 HB3 -0.0003 0.0002 0.0032 1027 ARG 64 HG2 0.0002 0.0026 0.0019 1028 ARG 64 HG3 0.0015 0.0010 0.0001 1029 ARG 64 HD2 0.0022 0.0028 -0.0016 1030 ARG 64 HD3 0.0009 0.0045 0.0002 1031 ARG 64 HE 0.0025 0.0045 -0.0024 1032 ARG 64 HH12 -0.0004 0.0086 0.0017 1033 ARG 64 HH11 -0.0001 0.0064 0.0017 1034 ARG 64 HH22 0.0009 0.0091 -0.0006 1035 ARG 64 HH21 0.0021 0.0073 -0.0024 1036 CYS 65 N -0.0023 -0.0000 -0.0008 1037 CYS 65 CA -0.0025 -0.0007 -0.0006 1038 CYS 65 C -0.0018 -0.0011 0.0001 1039 CYS 65 O -0.0012 -0.0010 0.0005 1040 CYS 65 CB -0.0034 -0.0014 -0.0007 1041 CYS 65 SG -0.0032 -0.0021 -0.0003 1042 CYS 65 H -0.0021 -0.0002 -0.0005 1043 CYS 65 HA -0.0027 -0.0003 -0.0009 1044 CYS 65 HB3 -0.0039 -0.0011 -0.0013 1045 CYS 65 HB2 -0.0036 -0.0019 -0.0007 1046 ASN 66 N -0.0012 0.0019 -0.0006 1047 ASN 66 CA -0.0013 0.0038 0.0030 1048 ASN 66 C -0.0036 0.0042 0.0060 1049 ASN 66 O -0.0027 0.0047 0.0061 1050 ASN 66 CB 0.0025 0.0062 0.0037 1051 ASN 66 CG 0.0025 0.0082 0.0074 1052 ASN 66 OD1 0.0005 0.0078 0.0086 1053 ASN 66 ND2 0.0047 0.0104 0.0092 1054 ASN 66 H 0.0006 0.0023 -0.0015 1055 ASN 66 HA -0.0026 0.0032 0.0033 1056 ASN 66 HB3 0.0039 0.0068 0.0034 1057 ASN 66 HB2 0.0041 0.0059 0.0016 1058 ASN 66 HD22 0.0048 0.0118 0.0117 1059 ASN 66 HD21 0.0063 0.0106 0.0080 1060 ASP 67 N 0.0014 0.0092 0.0058 1061 ASP 67 CA 0.0009 0.0091 0.0066 1062 ASP 67 C 0.0011 0.0098 0.0077 1063 ASP 67 O 0.0007 0.0098 0.0084 1064 ASP 67 CB -0.0001 0.0084 0.0067 1065 ASP 67 CG -0.0006 0.0081 0.0070 1066 ASP 67 OD1 -0.0002 0.0086 0.0073 1067 ASP 67 OD2 -0.0014 0.0074 0.0070 1068 ASP 67 H 0.0013 0.0091 0.0059 1069 ASP 67 HA 0.0011 0.0092 0.0064 1070 ASP 67 HB3 -0.0002 0.0080 0.0060 1071 ASP 67 HB2 -0.0004 0.0084 0.0073 1072 GLY 68 N 0.0054 0.0183 0.0115 1073 GLY 68 CA 0.0011 0.0224 0.0110 1074 GLY 68 C -0.0089 0.0236 0.0079 1075 GLY 68 O -0.0129 0.0245 0.0068 1076 GLY 68 H 0.0073 0.0115 0.0106 1077 GLY 68 HA3 0.0038 0.0289 0.0135 1078 GLY 68 HA2 0.0033 0.0185 0.0108 1079 LYS 69 N -0.0011 0.0225 0.0032 1080 LYS 69 CA -0.0038 0.0218 0.0060 1081 LYS 69 C -0.0053 0.0185 0.0085 1082 LYS 69 O -0.0074 0.0174 0.0107 1083 LYS 69 CB -0.0029 0.0212 0.0053 1084 LYS 69 CG -0.0003 0.0174 0.0041 1085 LYS 69 CD 0.0002 0.0165 0.0039 1086 LYS 69 CE 0.0018 0.0121 0.0038 1087 LYS 69 NZ 0.0049 0.0119 0.0010 1088 LYS 69 H 0.0009 0.0202 0.0021 1089 LYS 69 HA -0.0055 0.0247 0.0067 1090 LYS 69 HB3 -0.0021 0.0239 0.0038 1091 LYS 69 HB2 -0.0049 0.0209 0.0073 1092 LYS 69 HG3 -0.0008 0.0147 0.0054 1093 LYS 69 HG2 0.0019 0.0179 0.0018 1094 LYS 69 HD3 0.0016 0.0186 0.0020 1095 LYS 69 HD2 -0.0021 0.0172 0.0059 1096 LYS 69 HE3 0.0003 0.0107 0.0057 1097 LYS 69 HE2 0.0022 0.0105 0.0040 1098 LYS 69 HZ1 0.0060 0.0090 0.0009 1099 LYS 69 HZ2 0.0046 0.0135 0.0008 1100 LYS 69 HZ3 0.0063 0.0133 -0.0008 1101 THR 70 N -0.0006 0.0106 -0.0060 1102 THR 70 CA -0.0019 0.0078 -0.0055 1103 THR 70 C -0.0050 0.0044 -0.0060 1104 THR 70 O -0.0045 0.0023 -0.0046 1105 THR 70 CB 0.0011 0.0060 -0.0023 1106 THR 70 OG1 0.0041 0.0093 -0.0018 1107 THR 70 CG2 -0.0001 0.0035 -0.0019 1108 THR 70 H 0.0010 0.0099 -0.0044 1109 THR 70 HA -0.0028 0.0094 -0.0070 1110 THR 70 HB 0.0019 0.0043 -0.0009 1111 THR 70 HG1 0.0049 0.0110 -0.0022 1112 THR 70 HG21 0.0020 0.0022 0.0003 1113 THR 70 HG22 -0.0025 0.0012 -0.0025 1114 THR 70 HG23 -0.0007 0.0054 -0.0033 1115 PRO 71 N -0.0161 0.0065 -0.0221 1116 PRO 71 CA -0.0296 0.0033 -0.0183 1117 PRO 71 C -0.0283 -0.0069 -0.0081 1118 PRO 71 O -0.0195 -0.0128 -0.0026 1119 PRO 71 CB -0.0380 0.0030 -0.0177 1120 PRO 71 CG -0.0307 0.0088 -0.0237 1121 PRO 71 CD -0.0155 0.0082 -0.0237 1122 PRO 71 HA -0.0342 0.0085 -0.0233 1123 PRO 71 HB3 -0.0482 0.0064 -0.0207 1124 PRO 71 HB2 -0.0386 -0.0045 -0.0101 1125 PRO 71 HG3 -0.0344 0.0163 -0.0311 1126 PRO 71 HG2 -0.0320 0.0055 -0.0204 1127 PRO 71 HD2 -0.0106 0.0019 -0.0176 1128 PRO 71 HD3 -0.0109 0.0152 -0.0310 1129 GLY 72 N -0.0294 -0.0008 -0.0211 1130 GLY 72 CA -0.0243 -0.0186 -0.0209 1131 GLY 72 C -0.0092 -0.0212 -0.0125 1132 GLY 72 O -0.0061 -0.0342 -0.0128 1133 GLY 72 H -0.0311 0.0029 -0.0215 1134 GLY 72 HA3 -0.0326 -0.0251 -0.0267 1135 GLY 72 HA2 -0.0238 -0.0249 -0.0216 1136 ALA 73 N -0.0028 -0.0103 -0.0114 1137 ALA 73 CA 0.0005 -0.0102 -0.0073 1138 ALA 73 C 0.0041 -0.0157 -0.0056 1139 ALA 73 O 0.0051 -0.0183 -0.0057 1140 ALA 73 CB 0.0020 -0.0053 -0.0032 1141 ALA 73 H -0.0034 -0.0080 -0.0110 1142 ALA 73 HA -0.0005 -0.0094 -0.0082 1143 ALA 73 HB1 0.0045 -0.0052 -0.0001 1144 ALA 73 HB2 -0.0005 -0.0013 -0.0042 1145 ALA 73 HB3 0.0030 -0.0060 -0.0023 1146 VAL 74 N 0.0007 -0.0128 -0.0094 1147 VAL 74 CA 0.0017 -0.0157 -0.0075 1148 VAL 74 C 0.0026 -0.0155 -0.0032 1149 VAL 74 O 0.0036 -0.0185 -0.0013 1150 VAL 74 CB 0.0015 -0.0159 -0.0087 1151 VAL 74 CG1 0.0025 -0.0185 -0.0065 1152 VAL 74 CG2 0.0007 -0.0168 -0.0129 1153 VAL 74 H 0.0003 -0.0103 -0.0092 1154 VAL 74 HA 0.0020 -0.0184 -0.0084 1155 VAL 74 HB 0.0010 -0.0131 -0.0082 1156 VAL 74 HG11 0.0022 -0.0185 -0.0074 1157 VAL 74 HG12 0.0029 -0.0176 -0.0035 1158 VAL 74 HG13 0.0029 -0.0214 -0.0068 1159 VAL 74 HG21 0.0005 -0.0169 -0.0139 1160 VAL 74 HG22 0.0011 -0.0195 -0.0135 1161 VAL 74 HG23 -0.0000 -0.0147 -0.0144 1162 ASN 75 N 0.0005 -0.0039 0.0056 1163 ASN 75 CA 0.0010 -0.0040 0.0040 1164 ASN 75 C 0.0013 -0.0038 0.0030 1165 ASN 75 O 0.0015 -0.0028 0.0020 1166 ASN 75 CB 0.0010 -0.0028 0.0036 1167 ASN 75 CG 0.0015 -0.0031 0.0021 1168 ASN 75 OD1 0.0018 -0.0044 0.0015 1169 ASN 75 ND2 0.0016 -0.0021 0.0015 1170 ASN 75 H 0.0004 -0.0049 0.0062 1171 ASN 75 HA 0.0011 -0.0051 0.0038 1172 ASN 75 HB3 0.0010 -0.0016 0.0035 1173 ASN 75 HB2 0.0008 -0.0027 0.0045 1174 ASN 75 HD22 0.0019 -0.0024 0.0006 1175 ASN 75 HD21 0.0014 -0.0011 0.0021 1176 ALA 76 N -0.0056 -0.0079 0.0051 1177 ALA 76 CA -0.0058 -0.0088 0.0073 1178 ALA 76 C -0.0039 -0.0086 0.0072 1179 ALA 76 O -0.0044 -0.0091 0.0084 1180 ALA 76 CB -0.0053 -0.0097 0.0096 1181 ALA 76 H -0.0049 -0.0079 0.0053 1182 ALA 76 HA -0.0078 -0.0090 0.0074 1183 ALA 76 HB1 -0.0054 -0.0104 0.0113 1184 ALA 76 HB2 -0.0068 -0.0099 0.0097 1185 ALA 76 HB3 -0.0033 -0.0095 0.0096 1186 CYS 77 N -0.0022 -0.0079 0.0026 1187 CYS 77 CA -0.0019 -0.0083 0.0005 1188 CYS 77 C -0.0038 -0.0079 -0.0029 1189 CYS 77 O -0.0039 -0.0081 -0.0048 1190 CYS 77 CB 0.0015 -0.0101 -0.0004 1191 CYS 77 SG 0.0039 -0.0107 0.0034 1192 CYS 77 H -0.0007 -0.0087 0.0025 1193 CYS 77 HA -0.0026 -0.0078 0.0019 1194 CYS 77 HB3 0.0017 -0.0104 -0.0024 1195 CYS 77 HB2 0.0024 -0.0106 -0.0013 1196 HIS 78 N -0.0103 0.0011 -0.0159 1197 HIS 78 CA -0.0088 0.0105 -0.0197 1198 HIS 78 C -0.0091 0.0020 -0.0268 1199 HIS 78 O -0.0076 0.0052 -0.0383 1200 HIS 78 CB -0.0065 0.0237 -0.0283 1201 HIS 78 CG -0.0062 0.0332 -0.0196 1202 HIS 78 ND1 -0.0062 0.0322 -0.0208 1203 HIS 78 CD2 -0.0059 0.0439 -0.0096 1204 HIS 78 CE1 -0.0060 0.0418 -0.0117 1205 HIS 78 NE2 -0.0058 0.0492 -0.0048 1206 HIS 78 H -0.0112 0.0014 -0.0054 1207 HIS 78 HA -0.0093 0.0148 -0.0093 1208 HIS 78 HB3 -0.0054 0.0302 -0.0314 1209 HIS 78 HB2 -0.0059 0.0200 -0.0385 1210 HIS 78 HD1 -0.0064 0.0247 -0.0278 1211 HIS 78 HD2 -0.0059 0.0466 -0.0068 1212 HIS 78 HE1 -0.0059 0.0425 -0.0111 1213 LEU 79 N -0.0113 -0.0080 -0.0074 1214 LEU 79 CA -0.0090 -0.0083 -0.0095 1215 LEU 79 C -0.0084 -0.0083 -0.0106 1216 LEU 79 O -0.0083 -0.0087 -0.0090 1217 LEU 79 CB -0.0065 -0.0096 -0.0078 1218 LEU 79 CG -0.0050 -0.0100 -0.0079 1219 LEU 79 CD1 -0.0023 -0.0112 -0.0067 1220 LEU 79 CD2 -0.0049 -0.0095 -0.0106 1221 LEU 79 H -0.0115 -0.0083 -0.0062 1222 LEU 79 HA -0.0093 -0.0078 -0.0112 1223 LEU 79 HB3 -0.0050 -0.0100 -0.0081 1224 LEU 79 HB2 -0.0070 -0.0099 -0.0056 1225 LEU 79 HG -0.0063 -0.0100 -0.0065 1226 LEU 79 HD11 -0.0013 -0.0115 -0.0069 1227 LEU 79 HD12 -0.0026 -0.0117 -0.0045 1228 LEU 79 HD13 -0.0010 -0.0114 -0.0078 1229 LEU 79 HD21 -0.0037 -0.0099 -0.0103 1230 LEU 79 HD22 -0.0039 -0.0094 -0.0123 1231 LEU 79 HD23 -0.0069 -0.0086 -0.0111 1232 SER 80 N -0.0131 0.0009 -0.0085 1233 SER 80 CA -0.0131 0.0011 -0.0087 1234 SER 80 C -0.0117 -0.0006 -0.0080 1235 SER 80 O -0.0102 -0.0014 -0.0084 1236 SER 80 CB -0.0124 0.0023 -0.0106 1237 SER 80 OG -0.0121 0.0023 -0.0109 1238 SER 80 H -0.0126 0.0014 -0.0095 1239 SER 80 HA -0.0144 0.0015 -0.0080 1240 SER 80 HB3 -0.0111 0.0020 -0.0113 1241 SER 80 HB2 -0.0134 0.0035 -0.0111 1242 SER 80 HG -0.0132 0.0027 -0.0103 1243 CYS 81 N -0.0117 0.0045 -0.0042 1244 CYS 81 CA -0.0118 0.0033 -0.0041 1245 CYS 81 C -0.0130 0.0013 -0.0050 1246 CYS 81 O -0.0137 0.0004 -0.0056 1247 CYS 81 CB -0.0103 0.0028 -0.0023 1248 CYS 81 SG -0.0089 0.0052 -0.0012 1249 CYS 81 H -0.0107 0.0048 -0.0031 1250 CYS 81 HA -0.0122 0.0045 -0.0048 1251 CYS 81 HB3 -0.0105 0.0018 -0.0023 1252 CYS 81 HB2 -0.0099 0.0017 -0.0016 1253 SER 82 N -0.0179 0.0041 -0.0085 1254 SER 82 CA -0.0147 0.0059 -0.0097 1255 SER 82 C -0.0104 0.0038 -0.0105 1256 SER 82 O -0.0080 0.0035 -0.0111 1257 SER 82 CB -0.0147 0.0106 -0.0105 1258 SER 82 OG -0.0131 0.0117 -0.0112 1259 SER 82 H -0.0195 0.0060 -0.0084 1260 SER 82 HA -0.0156 0.0052 -0.0093 1261 SER 82 HB3 -0.0179 0.0120 -0.0099 1262 SER 82 HB2 -0.0129 0.0119 -0.0113 1263 SER 82 HG -0.0150 0.0112 -0.0106 1264 ALA 83 N -0.0070 0.0005 -0.0117 1265 ALA 83 CA -0.0014 -0.0024 -0.0108 1266 ALA 83 C 0.0006 -0.0066 -0.0091 1267 ALA 83 O 0.0059 -0.0083 -0.0087 1268 ALA 83 CB -0.0022 -0.0053 -0.0095 1269 ALA 83 H -0.0108 0.0001 -0.0114 1270 ALA 83 HA 0.0022 0.0007 -0.0123 1271 ALA 83 HB1 0.0020 -0.0074 -0.0088 1272 ALA 83 HB2 -0.0033 -0.0022 -0.0108 1273 ALA 83 HB3 -0.0058 -0.0083 -0.0081 1274 LEU 84 N -0.0047 -0.0011 -0.0063 1275 LEU 84 CA -0.0047 -0.0024 -0.0061 1276 LEU 84 C -0.0047 -0.0024 -0.0061 1277 LEU 84 O -0.0047 -0.0034 -0.0059 1278 LEU 84 CB -0.0059 -0.0030 -0.0054 1279 LEU 84 CG -0.0061 -0.0031 -0.0053 1280 LEU 84 CD1 -0.0072 -0.0036 -0.0046 1281 LEU 84 CD2 -0.0051 -0.0038 -0.0056 1282 LEU 84 H -0.0055 -0.0006 -0.0060 1283 LEU 84 HA -0.0040 -0.0030 -0.0064 1284 LEU 84 HB3 -0.0059 -0.0040 -0.0052 1285 LEU 84 HB2 -0.0066 -0.0025 -0.0051 1286 LEU 84 HG -0.0061 -0.0021 -0.0054 1287 LEU 84 HD11 -0.0073 -0.0036 -0.0045 1288 LEU 84 HD12 -0.0079 -0.0030 -0.0043 1289 LEU 84 HD13 -0.0073 -0.0046 -0.0044 1290 LEU 84 HD21 -0.0053 -0.0038 -0.0055 1291 LEU 84 HD22 -0.0049 -0.0048 -0.0055 1292 LEU 84 HD23 -0.0043 -0.0033 -0.0062 1293 LEU 85 N -0.0132 0.0014 -0.0150 1294 LEU 85 CA -0.0147 0.0007 -0.0141 1295 LEU 85 C -0.0110 0.0016 -0.0167 1296 LEU 85 O -0.0116 0.0018 -0.0162 1297 LEU 85 CB -0.0178 0.0042 -0.0103 1298 LEU 85 CG -0.0219 0.0032 -0.0074 1299 LEU 85 CD1 -0.0245 0.0072 -0.0038 1300 LEU 85 CD2 -0.0247 -0.0022 -0.0073 1301 LEU 85 H -0.0118 0.0050 -0.0147 1302 LEU 85 HA -0.0164 -0.0033 -0.0142 1303 LEU 85 HB3 -0.0187 0.0038 -0.0098 1304 LEU 85 HB2 -0.0161 0.0082 -0.0101 1305 LEU 85 HG -0.0210 0.0036 -0.0081 1306 LEU 85 HD11 -0.0274 0.0064 -0.0018 1307 LEU 85 HD12 -0.0226 0.0110 -0.0039 1308 LEU 85 HD13 -0.0254 0.0070 -0.0032 1309 LEU 85 HD21 -0.0275 -0.0027 -0.0052 1310 LEU 85 HD22 -0.0256 -0.0027 -0.0068 1311 LEU 85 HD23 -0.0228 -0.0050 -0.0099 1312 GLN 86 N 0.0059 0.0001 -0.0114 1313 GLN 86 CA 0.0131 0.0030 -0.0077 1314 GLN 86 C 0.0173 0.0027 -0.0053 1315 GLN 86 O 0.0155 -0.0019 -0.0054 1316 GLN 86 CB 0.0164 -0.0022 -0.0049 1317 GLN 86 CG 0.0136 -0.0016 -0.0066 1318 GLN 86 CD 0.0170 -0.0074 -0.0035 1319 GLN 86 OE1 0.0229 -0.0047 -0.0006 1320 GLN 86 NE2 0.0145 -0.0142 -0.0037 1321 GLN 86 H 0.0044 -0.0054 -0.0112 1322 GLN 86 HA 0.0134 0.0090 -0.0087 1323 GLN 86 HB3 0.0219 -0.0007 -0.0019 1324 GLN 86 HB2 0.0157 -0.0083 -0.0041 1325 GLN 86 HG3 0.0080 -0.0032 -0.0095 1326 GLN 86 HG2 0.0147 0.0043 -0.0071 1327 GLN 86 HE22 0.0167 -0.0180 -0.0017 1328 GLN 86 HE21 0.0102 -0.0160 -0.0059 1329 ASP 87 N 0.0229 0.0013 0.0005 1330 ASP 87 CA 0.0262 0.0012 0.0026 1331 ASP 87 C 0.0303 -0.0062 0.0048 1332 ASP 87 O 0.0310 -0.0092 0.0051 1333 ASP 87 CB 0.0305 0.0082 0.0056 1334 ASP 87 CG 0.0270 0.0156 0.0038 1335 ASP 87 OD1 0.0209 0.0158 0.0000 1336 ASP 87 OD2 0.0305 0.0215 0.0063 1337 ASP 87 H 0.0244 0.0049 0.0017 1338 ASP 87 HA 0.0224 0.0014 0.0002 1339 ASP 87 HB3 0.0342 0.0069 0.0079 1340 ASP 87 HB2 0.0333 0.0089 0.0075 1341 ASN 88 N 0.0358 0.0192 0.0104 1342 ASN 88 CA 0.0330 0.0023 0.0315 1343 ASN 88 C 0.0311 -0.0125 0.0105 1344 ASN 88 O 0.0290 -0.0292 -0.0115 1345 ASN 88 CB 0.0289 -0.0244 0.0476 1346 ASN 88 CG 0.0262 -0.0404 0.0728 1347 ASN 88 OD1 0.0240 -0.0557 0.0659 1348 ASN 88 ND2 0.0266 -0.0350 0.1026 1349 ASN 88 H 0.0342 0.0080 0.0042 1350 ASN 88 HA 0.0351 0.0181 0.0492 1351 ASN 88 HB3 0.0266 -0.0416 0.0297 1352 ASN 88 HB2 0.0302 -0.0146 0.0585 1353 ASN 88 HD22 0.0249 -0.0447 0.1208 1354 ASN 88 HD21 0.0286 -0.0212 0.1069 1355 ILE 89 N 0.0120 -0.0089 0.0169 1356 ILE 89 CA 0.0137 -0.0092 0.0123 1357 ILE 89 C 0.0162 -0.0119 0.0114 1358 ILE 89 O 0.0175 -0.0120 0.0076 1359 ILE 89 CB 0.0114 -0.0056 0.0093 1360 ILE 89 CG1 0.0098 -0.0040 0.0101 1361 ILE 89 CG2 0.0092 -0.0032 0.0097 1362 ILE 89 CD1 0.0078 -0.0006 0.0069 1363 ILE 89 H 0.0103 -0.0075 0.0182 1364 ILE 89 HA 0.0148 -0.0102 0.0113 1365 ILE 89 HB 0.0128 -0.0060 0.0058 1366 ILE 89 HG13 0.0115 -0.0060 0.0100 1367 ILE 89 HG12 0.0083 -0.0036 0.0135 1368 ILE 89 HG21 0.0076 -0.0007 0.0076 1369 ILE 89 HG22 0.0105 -0.0044 0.0087 1370 ILE 89 HG23 0.0079 -0.0029 0.0131 1371 ILE 89 HD11 0.0067 0.0003 0.0077 1372 ILE 89 HD12 0.0093 -0.0011 0.0035 1373 ILE 89 HD13 0.0060 0.0013 0.0071 1374 ALA 90 N 0.0252 -0.0057 0.0345 1375 ALA 90 CA 0.0288 -0.0131 0.0346 1376 ALA 90 C 0.0309 -0.0188 0.0276 1377 ALA 90 O 0.0323 -0.0225 0.0232 1378 ALA 90 CB 0.0313 -0.0169 0.0433 1379 ALA 90 H 0.0247 -0.0038 0.0400 1380 ALA 90 HA 0.0281 -0.0120 0.0333 1381 ALA 90 HB1 0.0339 -0.0224 0.0430 1382 ALA 90 HB2 0.0298 -0.0131 0.0482 1383 ALA 90 HB3 0.0319 -0.0180 0.0448 1384 ASP 91 N 0.0189 -0.0127 0.0228 1385 ASP 91 CA 0.0153 -0.0175 0.0171 1386 ASP 91 C 0.0148 -0.0160 0.0131 1387 ASP 91 O 0.0122 -0.0210 0.0114 1388 ASP 91 CB 0.0138 -0.0173 0.0117 1389 ASP 91 CG 0.0133 -0.0208 0.0149 1390 ASP 91 OD1 0.0127 -0.0257 0.0200 1391 ASP 91 OD2 0.0133 -0.0188 0.0119 1392 ASP 91 H 0.0202 -0.0090 0.0221 1393 ASP 91 HA 0.0138 -0.0229 0.0199 1394 ASP 91 HB3 0.0114 -0.0198 0.0068 1395 ASP 91 HB2 0.0155 -0.0117 0.0096 1396 ALA 92 N 0.0091 -0.0084 0.0093 1397 ALA 92 CA 0.0092 -0.0072 0.0076 1398 ALA 92 C 0.0091 -0.0073 0.0080 1399 ALA 92 O 0.0093 -0.0077 0.0065 1400 ALA 92 CB 0.0091 -0.0049 0.0073 1401 ALA 92 H 0.0090 -0.0075 0.0102 1402 ALA 92 HA 0.0093 -0.0081 0.0060 1403 ALA 92 HB1 0.0091 -0.0041 0.0060 1404 ALA 92 HB2 0.0091 -0.0048 0.0069 1405 ALA 92 HB3 0.0089 -0.0040 0.0089 1406 VAL 93 N 0.0140 0.0011 0.0157 1407 VAL 93 CA 0.0132 0.0034 0.0155 1408 VAL 93 C 0.0138 0.0038 0.0154 1409 VAL 93 O 0.0146 0.0056 0.0150 1410 VAL 93 CB 0.0107 0.0037 0.0158 1411 VAL 93 CG1 0.0098 0.0057 0.0156 1412 VAL 93 CG2 0.0104 0.0040 0.0158 1413 VAL 93 H 0.0129 0.0000 0.0160 1414 VAL 93 HA 0.0141 0.0046 0.0152 1415 VAL 93 HB 0.0099 0.0022 0.0161 1416 VAL 93 HG11 0.0080 0.0058 0.0158 1417 VAL 93 HG12 0.0100 0.0054 0.0156 1418 VAL 93 HG13 0.0106 0.0072 0.0153 1419 VAL 93 HG21 0.0086 0.0042 0.0159 1420 VAL 93 HG22 0.0113 0.0055 0.0154 1421 VAL 93 HG23 0.0110 0.0025 0.0159 1422 ALA 94 N 0.0137 -0.0026 0.0250 1423 ALA 94 CA 0.0119 -0.0067 0.0250 1424 ALA 94 C 0.0129 -0.0074 0.0208 1425 ALA 94 O 0.0122 -0.0089 0.0210 1426 ALA 94 CB 0.0102 -0.0106 0.0252 1427 ALA 94 H 0.0136 -0.0028 0.0249 1428 ALA 94 HA 0.0111 -0.0064 0.0281 1429 ALA 94 HB1 0.0089 -0.0137 0.0252 1430 ALA 94 HB2 0.0094 -0.0101 0.0283 1431 ALA 94 HB3 0.0110 -0.0109 0.0221 1432 CYS 95 N 0.0061 -0.0053 0.0160 1433 CYS 95 CA 0.0060 -0.0057 0.0135 1434 CYS 95 C 0.0075 -0.0039 0.0149 1435 CYS 95 O 0.0066 -0.0049 0.0150 1436 CYS 95 CB 0.0068 -0.0053 0.0094 1437 CYS 95 SG 0.0065 -0.0060 0.0059 1438 CYS 95 H 0.0072 -0.0043 0.0151 1439 CYS 95 HA 0.0039 -0.0078 0.0136 1440 CYS 95 HB3 0.0088 -0.0033 0.0092 1441 CYS 95 HB2 0.0055 -0.0067 0.0087 1442 ALA 96 N 0.0038 0.0000 0.0143 1443 ALA 96 CA 0.0040 0.0013 0.0138 1444 ALA 96 C 0.0038 0.0020 0.0138 1445 ALA 96 O 0.0044 0.0028 0.0132 1446 ALA 96 CB 0.0032 0.0019 0.0141 1447 ALA 96 H 0.0032 -0.0003 0.0147 1448 ALA 96 HA 0.0049 0.0014 0.0133 1449 ALA 96 HB1 0.0034 0.0029 0.0137 1450 ALA 96 HB2 0.0034 0.0015 0.0141 1451 ALA 96 HB3 0.0023 0.0019 0.0145 1452 LYS 97 N 0.0028 0.0094 0.0240 1453 LYS 97 CA 0.0038 0.0096 0.0225 1454 LYS 97 C 0.0038 0.0111 0.0236 1455 LYS 97 O 0.0038 0.0105 0.0232 1456 LYS 97 CB 0.0055 0.0106 0.0206 1457 LYS 97 CG 0.0056 0.0089 0.0190 1458 LYS 97 CD 0.0073 0.0100 0.0173 1459 LYS 97 CE 0.0075 0.0082 0.0156 1460 LYS 97 NZ 0.0090 0.0094 0.0141 1461 LYS 97 H 0.0032 0.0100 0.0237 1462 LYS 97 HA 0.0034 0.0080 0.0217 1463 LYS 97 HB3 0.0063 0.0112 0.0198 1464 LYS 97 HB2 0.0058 0.0121 0.0213 1465 LYS 97 HG3 0.0048 0.0083 0.0199 1466 LYS 97 HG2 0.0054 0.0074 0.0182 1467 LYS 97 HD3 0.0081 0.0107 0.0166 1468 LYS 97 HD2 0.0075 0.0113 0.0181 1469 LYS 97 HE3 0.0065 0.0074 0.0164 1470 LYS 97 HE2 0.0074 0.0070 0.0147 1471 LYS 97 HZ1 0.0090 0.0085 0.0135 1472 LYS 97 HZ2 0.0093 0.0110 0.0150 1473 LYS 97 HZ3 0.0099 0.0096 0.0130 1474 ARG 98 N 0.0071 0.0019 0.0259 1475 ARG 98 CA 0.0061 -0.0022 0.0224 1476 ARG 98 C 0.0065 -0.0005 0.0181 1477 ARG 98 O 0.0058 -0.0032 0.0169 1478 ARG 98 CB 0.0055 -0.0046 0.0202 1479 ARG 98 CG 0.0046 -0.0081 0.0158 1480 ARG 98 CD 0.0035 -0.0128 0.0174 1481 ARG 98 NE 0.0027 -0.0159 0.0128 1482 ARG 98 CZ 0.0028 -0.0157 0.0100 1483 ARG 98 NH1 0.0037 -0.0121 0.0106 1484 ARG 98 NH2 0.0020 -0.0191 0.0063 1485 ARG 98 H 0.0073 0.0029 0.0262 1486 ARG 98 HA 0.0054 -0.0051 0.0246 1487 ARG 98 HB3 0.0062 -0.0016 0.0189 1488 ARG 98 HB2 0.0050 -0.0065 0.0233 1489 ARG 98 HG3 0.0051 -0.0062 0.0128 1490 ARG 98 HG2 0.0044 -0.0092 0.0141 1491 ARG 98 HD3 0.0030 -0.0150 0.0201 1492 ARG 98 HD2 0.0038 -0.0117 0.0194 1493 ARG 98 HE 0.0021 -0.0184 0.0120 1494 ARG 98 HH12 0.0037 -0.0121 0.0083 1495 ARG 98 HH11 0.0043 -0.0095 0.0134 1496 ARG 98 HH22 0.0019 -0.0191 0.0040 1497 ARG 98 HH21 0.0013 -0.0217 0.0058 1498 VAL 99 N 0.0027 0.0007 0.0113 1499 VAL 99 CA 0.0032 0.0019 0.0089 1500 VAL 99 C 0.0031 0.0029 0.0083 1501 VAL 99 O 0.0039 0.0027 0.0064 1502 VAL 99 CB 0.0026 0.0038 0.0086 1503 VAL 99 CG1 0.0030 0.0054 0.0063 1504 VAL 99 CG2 0.0028 0.0029 0.0090 1505 VAL 99 H 0.0021 0.0012 0.0125 1506 VAL 99 HA 0.0041 0.0006 0.0077 1507 VAL 99 HB 0.0017 0.0050 0.0100 1508 VAL 99 HG11 0.0025 0.0067 0.0061 1509 VAL 99 HG12 0.0027 0.0062 0.0061 1510 VAL 99 HG13 0.0039 0.0042 0.0049 1511 VAL 99 HG21 0.0024 0.0043 0.0088 1512 VAL 99 HG22 0.0037 0.0016 0.0078 1513 VAL 99 HG23 0.0025 0.0020 0.0108 1514 VAL 100 N 0.0008 0.0046 0.0121 1515 VAL 100 CA 0.0004 0.0059 0.0102 1516 VAL 100 C 0.0017 0.0068 0.0091 1517 VAL 100 O 0.0015 0.0080 0.0074 1518 VAL 100 CB -0.0021 0.0060 0.0096 1519 VAL 100 CG1 -0.0032 0.0052 0.0106 1520 VAL 100 CG2 -0.0032 0.0057 0.0098 1521 VAL 100 H -0.0002 0.0039 0.0128 1522 VAL 100 HA 0.0010 0.0062 0.0099 1523 VAL 100 HB -0.0022 0.0070 0.0082 1524 VAL 100 HG11 -0.0050 0.0052 0.0101 1525 VAL 100 HG12 -0.0025 0.0055 0.0103 1526 VAL 100 HG13 -0.0030 0.0041 0.0120 1527 VAL 100 HG21 -0.0049 0.0058 0.0094 1528 VAL 100 HG22 -0.0030 0.0047 0.0112 1529 VAL 100 HG23 -0.0024 0.0064 0.0089 1530 ARG 101 N 0.0048 0.0093 0.0144 1531 ARG 101 CA 0.0064 0.0069 0.0139 1532 ARG 101 C 0.0095 0.0061 0.0095 1533 ARG 101 O 0.0108 0.0052 0.0081 1534 ARG 101 CB 0.0067 0.0027 0.0174 1535 ARG 101 CG 0.0038 0.0035 0.0216 1536 ARG 101 CD 0.0041 -0.0004 0.0248 1537 ARG 101 NE 0.0053 -0.0038 0.0259 1538 ARG 101 CZ 0.0038 -0.0045 0.0291 1539 ARG 101 NH1 0.0008 -0.0015 0.0314 1540 ARG 101 NH2 0.0051 -0.0079 0.0301 1541 ARG 101 H 0.0049 0.0075 0.0159 1542 ARG 101 HA 0.0051 0.0089 0.0143 1543 ARG 101 HB3 0.0085 0.0007 0.0164 1544 ARG 101 HB2 0.0074 0.0010 0.0178 1545 ARG 101 HG3 0.0022 0.0049 0.0230 1546 ARG 101 HG2 0.0027 0.0060 0.0211 1547 ARG 101 HD3 0.0020 0.0005 0.0276 1548 ARG 101 HD2 0.0056 -0.0017 0.0235 1549 ARG 101 HE 0.0076 -0.0058 0.0239 1550 ARG 101 HH12 -0.0003 -0.0021 0.0339 1551 ARG 101 HH11 -0.0002 0.0012 0.0306 1552 ARG 101 HH22 0.0039 -0.0084 0.0326 1553 ARG 101 HH21 0.0074 -0.0101 0.0284 1554 ASP 102 N 0.0010 0.0051 0.0086 1555 ASP 102 CA 0.0018 0.0043 0.0045 1556 ASP 102 C 0.0021 0.0075 0.0043 1557 ASP 102 O 0.0019 0.0110 0.0065 1558 ASP 102 CB 0.0027 0.0049 0.0008 1559 ASP 102 CG 0.0026 0.0007 -0.0001 1560 ASP 102 OD1 0.0018 -0.0023 0.0024 1561 ASP 102 OD2 0.0033 0.0005 -0.0035 1562 ASP 102 H 0.0011 0.0068 0.0086 1563 ASP 102 HA 0.0016 0.0010 0.0045 1564 ASP 102 HB3 0.0033 0.0058 -0.0020 1565 ASP 102 HB2 0.0027 0.0075 0.0016 1566 PRO 103 N -0.0161 0.0004 0.0047 1567 PRO 103 CA -0.0114 0.0068 0.0129 1568 PRO 103 C -0.0006 0.0135 0.0120 1569 PRO 103 O 0.0026 0.0191 0.0205 1570 PRO 103 CB -0.0140 0.0047 0.0117 1571 PRO 103 CG -0.0232 -0.0031 0.0076 1572 PRO 103 CD -0.0225 -0.0055 0.0004 1573 PRO 103 HA -0.0152 0.0076 0.0209 1574 PRO 103 HB3 -0.0153 0.0071 0.0197 1575 PRO 103 HB2 -0.0082 0.0060 0.0057 1576 PRO 103 HG3 -0.0294 -0.0043 0.0144 1577 PRO 103 HG2 -0.0236 -0.0053 0.0028 1578 PRO 103 HD2 -0.0190 -0.0066 -0.0079 1579 PRO 103 HD3 -0.0297 -0.0099 0.0012 1580 GLN 104 N 0.0021 0.0118 -0.0022 1581 GLN 104 CA 0.0037 0.0126 -0.0023 1582 GLN 104 C 0.0026 0.0127 -0.0019 1583 GLN 104 O 0.0034 0.0138 -0.0017 1584 GLN 104 CB 0.0052 0.0110 -0.0037 1585 GLN 104 CG 0.0074 0.0113 -0.0043 1586 GLN 104 CD 0.0089 0.0100 -0.0055 1587 GLN 104 OE1 0.0108 0.0106 -0.0058 1588 GLN 104 NE2 0.0080 0.0080 -0.0062 1589 GLN 104 H 0.0022 0.0104 -0.0029 1590 GLN 104 HA 0.0046 0.0140 -0.0019 1591 GLN 104 HB3 0.0053 0.0107 -0.0039 1592 GLN 104 HB2 0.0044 0.0095 -0.0042 1593 GLN 104 HG3 0.0073 0.0112 -0.0043 1594 GLN 104 HG2 0.0081 0.0129 -0.0037 1595 GLN 104 HE22 0.0090 0.0070 -0.0070 1596 GLN 104 HE21 0.0065 0.0076 -0.0058 1597 GLY 105 N 0.0031 0.0093 0.0016 1598 GLY 105 CA 0.0014 0.0085 0.0010 1599 GLY 105 C 0.0016 0.0068 0.0014 1600 GLY 105 O 0.0026 0.0055 0.0020 1601 GLY 105 H 0.0034 0.0094 0.0016 1602 GLY 105 HA3 0.0008 0.0096 0.0006 1603 GLY 105 HA2 0.0005 0.0082 0.0007 1604 ILE 106 N -0.0013 -0.0015 -0.0010 1605 ILE 106 CA -0.0017 -0.0029 -0.0005 1606 ILE 106 C -0.0009 -0.0032 0.0003 1607 ILE 106 O -0.0010 -0.0043 0.0010 1608 ILE 106 CB -0.0030 -0.0033 -0.0013 1609 ILE 106 CG1 -0.0036 -0.0048 -0.0009 1610 ILE 106 CG2 -0.0031 -0.0026 -0.0018 1611 ILE 106 CD1 -0.0049 -0.0053 -0.0016 1612 ILE 106 H -0.0018 -0.0010 -0.0018 1613 ILE 106 HA -0.0017 -0.0035 -0.0001 1614 ILE 106 HB -0.0035 -0.0030 -0.0019 1615 ILE 106 HG13 -0.0032 -0.0053 -0.0002 1616 ILE 106 HG12 -0.0034 -0.0051 -0.0005 1617 ILE 106 HG21 -0.0041 -0.0030 -0.0024 1618 ILE 106 HG22 -0.0029 -0.0016 -0.0022 1619 ILE 106 HG23 -0.0026 -0.0028 -0.0013 1620 ILE 106 HD11 -0.0052 -0.0064 -0.0013 1621 ILE 106 HD12 -0.0051 -0.0050 -0.0020 1622 ILE 106 HD13 -0.0053 -0.0049 -0.0022 1623 ARG 107 N 0.0004 -0.0017 -0.0076 1624 ARG 107 CA -0.0002 -0.0022 -0.0058 1625 ARG 107 C -0.0012 -0.0008 -0.0059 1626 ARG 107 O -0.0016 -0.0012 -0.0047 1627 ARG 107 CB -0.0011 -0.0026 -0.0039 1628 ARG 107 CG 0.0000 -0.0043 -0.0035 1629 ARG 107 CD -0.0008 -0.0047 -0.0016 1630 ARG 107 NE 0.0002 -0.0060 -0.0017 1631 ARG 107 CZ 0.0011 -0.0058 -0.0034 1632 ARG 107 NH1 0.0004 -0.0040 -0.0045 1633 ARG 107 NH2 0.0025 -0.0072 -0.0040 1634 ARG 107 H 0.0001 -0.0013 -0.0074 1635 ARG 107 HA 0.0008 -0.0035 -0.0058 1636 ARG 107 HB3 -0.0017 -0.0028 -0.0026 1637 ARG 107 HB2 -0.0019 -0.0014 -0.0040 1638 ARG 107 HG3 0.0007 -0.0042 -0.0048 1639 ARG 107 HG2 0.0008 -0.0056 -0.0033 1640 ARG 107 HD3 -0.0012 -0.0052 -0.0003 1641 ARG 107 HD2 -0.0018 -0.0033 -0.0016 1642 ARG 107 HE 0.0003 -0.0071 -0.0004 1643 ARG 107 HH12 0.0010 -0.0038 -0.0058 1644 ARG 107 HH11 -0.0007 -0.0029 -0.0040 1645 ARG 107 HH22 0.0031 -0.0070 -0.0053 1646 ARG 107 HH21 0.0030 -0.0085 -0.0032 1647 ALA 108 N 0.0011 0.0017 -0.0049 1648 ALA 108 CA 0.0011 0.0015 -0.0055 1649 ALA 108 C 0.0011 0.0024 -0.0059 1650 ALA 108 O 0.0011 0.0024 -0.0068 1651 ALA 108 CB 0.0010 0.0007 -0.0050 1652 ALA 108 H 0.0012 0.0014 -0.0041 1653 ALA 108 HA 0.0009 0.0010 -0.0062 1654 ALA 108 HB1 0.0009 0.0005 -0.0055 1655 ALA 108 HB2 0.0009 -0.0000 -0.0047 1656 ALA 108 HB3 0.0011 0.0011 -0.0042 1657 TRP 109 N -0.0019 -0.0022 -0.0056 1658 TRP 109 CA -0.0022 -0.0005 -0.0059 1659 TRP 109 C -0.0025 0.0009 -0.0071 1660 TRP 109 O -0.0026 0.0015 -0.0066 1661 TRP 109 CB -0.0022 0.0005 -0.0040 1662 TRP 109 CG -0.0019 -0.0004 -0.0027 1663 TRP 109 CD1 -0.0019 -0.0000 -0.0026 1664 TRP 109 CD2 -0.0016 -0.0016 -0.0011 1665 TRP 109 NE1 -0.0017 -0.0010 -0.0012 1666 TRP 109 CE2 -0.0014 -0.0020 -0.0002 1667 TRP 109 CE3 -0.0014 -0.0024 -0.0004 1668 TRP 109 CZ2 -0.0011 -0.0031 0.0014 1669 TRP 109 CZ3 -0.0010 -0.0036 0.0012 1670 TRP 109 CH2 -0.0009 -0.0039 0.0021 1671 TRP 109 H -0.0018 -0.0023 -0.0046 1672 TRP 109 HA -0.0022 -0.0008 -0.0065 1673 TRP 109 HB3 -0.0024 0.0019 -0.0042 1674 TRP 109 HB2 -0.0021 0.0007 -0.0032 1675 TRP 109 HD1 -0.0022 0.0009 -0.0037 1676 TRP 109 HE1 -0.0017 -0.0008 -0.0009 1677 TRP 109 HE3 -0.0015 -0.0022 -0.0010 1678 TRP 109 HZ2 -0.0010 -0.0034 0.0020 1679 TRP 109 HZ3 -0.0009 -0.0043 0.0017 1680 TRP 109 HH2 -0.0006 -0.0048 0.0033 1681 VAL 110 N 0.0026 -0.0080 -0.0208 1682 VAL 110 CA 0.0083 -0.0037 -0.0199 1683 VAL 110 C 0.0128 0.0004 -0.0178 1684 VAL 110 O 0.0160 0.0045 -0.0137 1685 VAL 110 CB 0.0115 -0.0043 -0.0259 1686 VAL 110 CG1 0.0072 -0.0085 -0.0285 1687 VAL 110 CG2 0.0163 -0.0035 -0.0312 1688 VAL 110 H 0.0014 -0.0110 -0.0253 1689 VAL 110 HA 0.0067 -0.0027 -0.0155 1690 VAL 110 HB 0.0143 -0.0013 -0.0236 1691 VAL 110 HG11 0.0099 -0.0086 -0.0328 1692 VAL 110 HG12 0.0048 -0.0082 -0.0245 1693 VAL 110 HG13 0.0038 -0.0117 -0.0304 1694 VAL 110 HG21 0.0184 -0.0040 -0.0353 1695 VAL 110 HG22 0.0140 -0.0061 -0.0332 1696 VAL 110 HG23 0.0198 0.0001 -0.0288 1697 ALA 111 N 0.0069 -0.0021 -0.0083 1698 ALA 111 CA 0.0070 0.0011 -0.0069 1699 ALA 111 C 0.0080 0.0003 -0.0049 1700 ALA 111 O 0.0077 0.0024 -0.0047 1701 ALA 111 CB 0.0076 0.0031 -0.0047 1702 ALA 111 H 0.0072 -0.0027 -0.0078 1703 ALA 111 HA 0.0059 0.0027 -0.0088 1704 ALA 111 HB1 0.0077 0.0055 -0.0036 1705 ALA 111 HB2 0.0069 0.0038 -0.0061 1706 ALA 111 HB3 0.0087 0.0015 -0.0027 1707 TRP 112 N 0.0066 -0.0065 -0.0076 1708 TRP 112 CA 0.0071 -0.0070 -0.0067 1709 TRP 112 C 0.0068 -0.0075 -0.0066 1710 TRP 112 O 0.0073 -0.0074 -0.0061 1711 TRP 112 CB 0.0070 -0.0078 -0.0061 1712 TRP 112 CG 0.0076 -0.0083 -0.0052 1713 TRP 112 CD1 0.0083 -0.0079 -0.0045 1714 TRP 112 CD2 0.0073 -0.0091 -0.0048 1715 TRP 112 NE1 0.0086 -0.0085 -0.0037 1716 TRP 112 CE2 0.0080 -0.0093 -0.0039 1717 TRP 112 CE3 0.0066 -0.0098 -0.0051 1718 TRP 112 CZ2 0.0080 -0.0101 -0.0033 1719 TRP 112 CZ3 0.0066 -0.0106 -0.0046 1720 TRP 112 CH2 0.0073 -0.0107 -0.0037 1721 TRP 112 H 0.0063 -0.0068 -0.0078 1722 TRP 112 HA 0.0077 -0.0065 -0.0063 1723 TRP 112 HB3 0.0064 -0.0084 -0.0064 1724 TRP 112 HB2 0.0072 -0.0075 -0.0062 1725 TRP 112 HD1 0.0086 -0.0072 -0.0046 1726 TRP 112 HE1 0.0092 -0.0084 -0.0031 1727 TRP 112 HE3 0.0061 -0.0097 -0.0059 1728 TRP 112 HZ2 0.0085 -0.0102 -0.0026 1729 TRP 112 HZ3 0.0061 -0.0112 -0.0049 1730 TRP 112 HH2 0.0072 -0.0114 -0.0032 1731 ARG 113 N 0.0147 -0.0073 -0.0100 1732 ARG 113 CA 0.0139 -0.0097 -0.0060 1733 ARG 113 C 0.0170 -0.0111 -0.0054 1734 ARG 113 O 0.0187 -0.0137 -0.0026 1735 ARG 113 CB 0.0092 -0.0090 -0.0047 1736 ARG 113 CG 0.0057 -0.0074 -0.0053 1737 ARG 113 CD 0.0012 -0.0067 -0.0041 1738 ARG 113 NE -0.0020 -0.0043 -0.0060 1739 ARG 113 CZ -0.0059 -0.0029 -0.0062 1740 ARG 113 NH1 -0.0072 -0.0037 -0.0044 1741 ARG 113 NH2 -0.0085 -0.0007 -0.0082 1742 ARG 113 H 0.0123 -0.0054 -0.0115 1743 ARG 113 HA 0.0146 -0.0112 -0.0042 1744 ARG 113 HB3 0.0087 -0.0108 -0.0017 1745 ARG 113 HB2 0.0087 -0.0078 -0.0063 1746 ARG 113 HG3 0.0062 -0.0056 -0.0083 1747 ARG 113 HG2 0.0061 -0.0087 -0.0036 1748 ARG 113 HD3 0.0002 -0.0085 -0.0010 1749 ARG 113 HD2 0.0013 -0.0065 -0.0045 1750 ARG 113 HE -0.0010 -0.0037 -0.0074 1751 ARG 113 HH12 -0.0102 -0.0026 -0.0045 1752 ARG 113 HH11 -0.0052 -0.0054 -0.0028 1753 ARG 113 HH22 -0.0115 0.0004 -0.0083 1754 ARG 113 HH21 -0.0075 -0.0001 -0.0095 1755 ASN 114 N 0.0173 -0.0062 -0.0134 1756 ASN 114 CA 0.0183 -0.0038 -0.0143 1757 ASN 114 C 0.0107 -0.0010 -0.0126 1758 ASN 114 O 0.0107 0.0045 -0.0139 1759 ASN 114 CB 0.0222 -0.0108 -0.0139 1760 ASN 114 CG 0.0300 -0.0144 -0.0155 1761 ASN 114 OD1 0.0337 -0.0119 -0.0174 1762 ASN 114 ND2 0.0323 -0.0214 -0.0145 1763 ASN 114 H 0.0180 -0.0120 -0.0122 1764 ASN 114 HA 0.0221 0.0011 -0.0169 1765 ASN 114 HB3 0.0230 -0.0087 -0.0147 1766 ASN 114 HB2 0.0181 -0.0155 -0.0114 1767 ASN 114 HD22 0.0374 -0.0245 -0.0154 1768 ASN 114 HD21 0.0289 -0.0236 -0.0128 1769 ARG 115 N 0.0058 -0.0085 -0.0097 1770 ARG 115 CA 0.0054 -0.0117 -0.0125 1771 ARG 115 C 0.0186 -0.0191 -0.0251 1772 ARG 115 O 0.0170 -0.0238 -0.0290 1773 ARG 115 CB 0.0088 0.0022 -0.0007 1774 ARG 115 CG -0.0043 0.0103 0.0124 1775 ARG 115 CD -0.0203 0.0054 0.0144 1776 ARG 115 NE -0.0320 0.0145 0.0280 1777 ARG 115 CZ -0.0471 0.0125 0.0323 1778 ARG 115 NH1 -0.0498 0.0034 0.0247 1779 ARG 115 NH2 -0.0582 0.0195 0.0436 1780 ARG 115 H 0.0158 -0.0010 -0.0067 1781 ARG 115 HA -0.0078 -0.0179 -0.0130 1782 ARG 115 HB3 0.0091 0.0003 -0.0027 1783 ARG 115 HB2 0.0219 0.0085 -0.0002 1784 ARG 115 HG3 0.0018 0.0212 0.0203 1785 ARG 115 HG2 -0.0084 0.0088 0.0127 1786 ARG 115 HD3 -0.0272 -0.0052 0.0072 1787 ARG 115 HD2 -0.0161 0.0065 0.0137 1788 ARG 115 HE -0.0286 0.0221 0.0338 1789 ARG 115 HH12 -0.0610 0.0015 0.0276 1790 ARG 115 HH11 -0.0406 -0.0017 0.0161 1791 ARG 115 HH22 -0.0696 0.0180 0.0469 1792 ARG 115 HH21 -0.0555 0.0264 0.0490 1793 CYS 116 N 0.0163 -0.0108 -0.0062 1794 CYS 116 CA 0.0174 -0.0114 -0.0057 1795 CYS 116 C 0.0172 -0.0129 -0.0053 1796 CYS 116 O 0.0181 -0.0136 -0.0048 1797 CYS 116 CB 0.0179 -0.0110 -0.0056 1798 CYS 116 SG 0.0181 -0.0093 -0.0060 1799 CYS 116 H 0.0155 -0.0110 -0.0065 1800 CYS 116 HA 0.0182 -0.0111 -0.0054 1801 CYS 116 HB3 0.0187 -0.0115 -0.0051 1802 CYS 116 HB2 0.0172 -0.0115 -0.0057 1803 GLN 117 N 0.0248 -0.0186 -0.0060 1804 GLN 117 CA 0.0236 -0.0222 -0.0039 1805 GLN 117 C 0.0248 -0.0245 -0.0021 1806 GLN 117 O 0.0242 -0.0238 -0.0027 1807 GLN 117 CB 0.0189 -0.0226 -0.0043 1808 GLN 117 CG 0.0172 -0.0262 -0.0022 1809 GLN 117 CD 0.0127 -0.0264 -0.0028 1810 GLN 117 OE1 0.0115 -0.0291 -0.0013 1811 GLN 117 NE2 0.0106 -0.0243 -0.0046 1812 GLN 117 H 0.0227 -0.0169 -0.0075 1813 GLN 117 HA 0.0249 -0.0229 -0.0032 1814 GLN 117 HB3 0.0175 -0.0217 -0.0051 1815 GLN 117 HB2 0.0180 -0.0209 -0.0056 1816 GLN 117 HG3 0.0190 -0.0273 -0.0013 1817 GLN 117 HG2 0.0176 -0.0279 -0.0011 1818 GLN 117 HE22 0.0076 -0.0245 -0.0050 1819 GLN 117 HE21 0.0117 -0.0224 -0.0057 1820 ASN 118 N 0.0230 -0.0174 0.0120 1821 ASN 118 CA 0.0365 0.0049 0.0246 1822 ASN 118 C 0.0548 0.0276 0.0252 1823 ASN 118 O 0.0707 0.0473 0.0256 1824 ASN 118 CB 0.0436 0.0067 0.0094 1825 ASN 118 CG 0.0260 -0.0144 0.0106 1826 ASN 118 OD1 0.0118 -0.0215 0.0335 1827 ASN 118 ND2 0.0267 -0.0248 -0.0145 1828 ASN 118 H 0.0082 -0.0300 0.0243 1829 ASN 118 HA 0.0277 0.0044 0.0476 1830 ASN 118 HB3 0.0538 0.0239 0.0197 1831 ASN 118 HB2 0.0527 0.0076 -0.0136 1832 ASN 118 HD22 0.0153 -0.0389 -0.0148 1833 ASN 118 HD21 0.0386 -0.0185 -0.0331 1834 ARG 119 N 0.0222 -0.0262 -0.0104 1835 ARG 119 CA 0.0223 -0.0300 -0.0116 1836 ARG 119 C 0.0249 -0.0302 -0.0168 1837 ARG 119 O 0.0265 -0.0265 -0.0189 1838 ARG 119 CB 0.0214 -0.0288 -0.0096 1839 ARG 119 CG 0.0188 -0.0293 -0.0047 1840 ARG 119 CD 0.0180 -0.0289 -0.0031 1841 ARG 119 NE 0.0157 -0.0277 0.0017 1842 ARG 119 CZ 0.0139 -0.0302 0.0045 1843 ARG 119 NH1 0.0139 -0.0345 0.0033 1844 ARG 119 NH2 0.0121 -0.0283 0.0087 1845 ARG 119 H 0.0232 -0.0227 -0.0114 1846 ARG 119 HA 0.0212 -0.0337 -0.0106 1847 ARG 119 HB3 0.0220 -0.0311 -0.0113 1848 ARG 119 HB2 0.0223 -0.0250 -0.0103 1849 ARG 119 HG3 0.0183 -0.0264 -0.0028 1850 ARG 119 HG2 0.0178 -0.0329 -0.0039 1851 ARG 119 HD3 0.0179 -0.0325 -0.0038 1852 ARG 119 HD2 0.0194 -0.0260 -0.0049 1853 ARG 119 HE 0.0155 -0.0248 0.0030 1854 ARG 119 HH12 0.0125 -0.0363 0.0055 1855 ARG 119 HH11 0.0153 -0.0360 0.0001 1856 ARG 119 HH22 0.0106 -0.0300 0.0109 1857 ARG 119 HH21 0.0120 -0.0250 0.0096 1858 ASP 120 N 0.0111 -0.0097 -0.0092 1859 ASP 120 CA 0.0076 -0.0089 -0.0018 1860 ASP 120 C 0.0057 -0.0143 -0.0083 1861 ASP 120 O 0.0118 -0.0125 -0.0153 1862 ASP 120 CB 0.0155 0.0003 0.0016 1863 ASP 120 CG 0.0125 0.0025 0.0105 1864 ASP 120 OD1 0.0052 -0.0034 0.0121 1865 ASP 120 OD2 0.0176 0.0098 0.0151 1866 ASP 120 H 0.0176 -0.0052 -0.0119 1867 ASP 120 HA 0.0020 -0.0105 0.0047 1868 ASP 120 HB3 0.0204 0.0013 -0.0049 1869 ASP 120 HB2 0.0184 0.0043 0.0040 1870 VAL 121 N 0.0057 -0.0117 -0.0066 1871 VAL 121 CA 0.0051 -0.0142 -0.0068 1872 VAL 121 C 0.0029 -0.0143 -0.0051 1873 VAL 121 O 0.0020 -0.0164 -0.0049 1874 VAL 121 CB 0.0051 -0.0167 -0.0076 1875 VAL 121 CG1 0.0075 -0.0169 -0.0095 1876 VAL 121 CG2 0.0036 -0.0169 -0.0064 1877 VAL 121 H 0.0049 -0.0114 -0.0059 1878 VAL 121 HA 0.0062 -0.0142 -0.0077 1879 VAL 121 HB 0.0046 -0.0184 -0.0076 1880 VAL 121 HG11 0.0075 -0.0187 -0.0100 1881 VAL 121 HG12 0.0084 -0.0170 -0.0103 1882 VAL 121 HG13 0.0081 -0.0151 -0.0095 1883 VAL 121 HG21 0.0037 -0.0188 -0.0070 1884 VAL 121 HG22 0.0041 -0.0152 -0.0063 1885 VAL 121 HG23 0.0020 -0.0170 -0.0051 1886 ARG 122 N -0.0004 -0.0125 -0.0209 1887 ARG 122 CA -0.0024 -0.0092 -0.0006 1888 ARG 122 C -0.0078 0.0030 0.0091 1889 ARG 122 O -0.0080 0.0022 0.0268 1890 ARG 122 CB -0.0051 -0.0027 0.0010 1891 ARG 122 CG -0.0134 0.0171 0.0043 1892 ARG 122 CD -0.0156 0.0215 0.0160 1893 ARG 122 NE -0.0157 0.0228 0.0034 1894 ARG 122 CZ -0.0109 0.0124 -0.0119 1895 ARG 122 NH1 -0.0038 -0.0052 -0.0095 1896 ARG 122 NH2 -0.0133 0.0196 -0.0290 1897 ARG 122 H -0.0013 -0.0095 -0.0313 1898 ARG 122 HA 0.0026 -0.0220 0.0069 1899 ARG 122 HB3 -0.0032 -0.0063 -0.0119 1900 ARG 122 HB2 -0.0026 -0.0100 0.0126 1901 ARG 122 HG3 -0.0156 0.0219 0.0117 1902 ARG 122 HG2 -0.0158 0.0241 -0.0096 1903 ARG 122 HD3 -0.0117 0.0111 0.0268 1904 ARG 122 HD2 -0.0210 0.0341 0.0232 1905 ARG 122 HE -0.0195 0.0318 0.0066 1906 ARG 122 HH12 -0.0001 -0.0132 -0.0210 1907 ARG 122 HH11 -0.0020 -0.0105 0.0037 1908 ARG 122 HH22 -0.0097 0.0118 -0.0406 1909 ARG 122 HH21 -0.0187 0.0330 -0.0306 1910 GLN 123 N -0.0005 0.0062 0.0023 1911 GLN 123 CA -0.0003 0.0065 0.0021 1912 GLN 123 C -0.0014 0.0026 0.0023 1913 GLN 123 O -0.0025 0.0024 0.0036 1914 GLN 123 CB 0.0026 0.0082 -0.0009 1915 GLN 123 CG 0.0044 0.0053 -0.0040 1916 GLN 123 CD 0.0073 0.0072 -0.0070 1917 GLN 123 OE1 0.0090 0.0072 -0.0091 1918 GLN 123 NE2 0.0080 0.0086 -0.0074 1919 GLN 123 H 0.0012 0.0072 0.0005 1920 GLN 123 HA -0.0015 0.0086 0.0042 1921 GLN 123 HB3 0.0034 0.0109 -0.0011 1922 GLN 123 HB2 0.0026 0.0093 -0.0005 1923 GLN 123 HG3 0.0037 0.0029 -0.0039 1924 GLN 123 HG2 0.0041 0.0039 -0.0041 1925 GLN 123 HE22 0.0099 0.0099 -0.0093 1926 GLN 123 HE21 0.0066 0.0084 -0.0057 1927 TYR 124 N 0.0012 0.0025 0.0015 1928 TYR 124 CA 0.0011 0.0011 0.0019 1929 TYR 124 C -0.0002 0.0006 0.0024 1930 TYR 124 O -0.0005 -0.0005 0.0028 1931 TYR 124 CB 0.0023 0.0004 0.0016 1932 TYR 124 CG 0.0036 0.0007 0.0011 1933 TYR 124 CD1 0.0040 -0.0001 0.0011 1934 TYR 124 CD2 0.0044 0.0016 0.0006 1935 TYR 124 CE1 0.0052 0.0001 0.0007 1936 TYR 124 CE2 0.0056 0.0019 0.0001 1937 TYR 124 CZ 0.0060 0.0011 0.0002 1938 TYR 124 OH 0.0071 0.0013 -0.0003 1939 TYR 124 H 0.0018 0.0030 0.0011 1940 TYR 124 HA 0.0012 0.0006 0.0019 1941 TYR 124 HB3 0.0022 -0.0007 0.0019 1942 TYR 124 HB2 0.0023 0.0009 0.0015 1943 TYR 124 HD1 0.0034 -0.0009 0.0015 1944 TYR 124 HD2 0.0041 0.0022 0.0005 1945 TYR 124 HE1 0.0055 -0.0005 0.0007 1946 TYR 124 HE2 0.0062 0.0026 -0.0003 1947 TYR 124 HH 0.0075 0.0021 -0.0006 1948 VAL 125 N -0.0068 -0.0009 -0.0020 1949 VAL 125 CA -0.0047 -0.0010 -0.0005 1950 VAL 125 C -0.0024 -0.0006 0.0009 1951 VAL 125 O -0.0004 -0.0006 0.0023 1952 VAL 125 CB -0.0049 -0.0037 0.0003 1953 VAL 125 CG1 -0.0070 -0.0040 -0.0011 1954 VAL 125 CG2 -0.0053 -0.0062 0.0008 1955 VAL 125 H -0.0073 -0.0024 -0.0018 1956 VAL 125 HA -0.0046 0.0007 -0.0010 1957 VAL 125 HB -0.0032 -0.0037 0.0014 1958 VAL 125 HG11 -0.0071 -0.0059 -0.0005 1959 VAL 125 HG12 -0.0066 -0.0022 -0.0014 1960 VAL 125 HG13 -0.0087 -0.0039 -0.0022 1961 VAL 125 HG21 -0.0055 -0.0081 0.0014 1962 VAL 125 HG22 -0.0070 -0.0062 -0.0003 1963 VAL 125 HG23 -0.0038 -0.0060 0.0018 1964 GLN 126 N -0.0041 0.0049 0.0007 1965 GLN 126 CA -0.0044 0.0061 0.0018 1966 GLN 126 C -0.0043 0.0082 0.0049 1967 GLN 126 O -0.0053 0.0099 0.0056 1968 GLN 126 CB -0.0067 0.0073 -0.0006 1969 GLN 126 CG -0.0088 0.0099 -0.0007 1970 GLN 126 CD -0.0107 0.0120 -0.0014 1971 GLN 126 OE1 -0.0125 0.0125 -0.0038 1972 GLN 126 NE2 -0.0104 0.0131 0.0008 1973 GLN 126 H -0.0053 0.0051 -0.0012 1974 GLN 126 HA -0.0031 0.0045 0.0019 1975 GLN 126 HB3 -0.0068 0.0058 -0.0028 1976 GLN 126 HB2 -0.0068 0.0078 -0.0001 1977 GLN 126 HG3 -0.0084 0.0108 0.0014 1978 GLN 126 HG2 -0.0094 0.0094 -0.0025 1979 GLN 126 HE22 -0.0116 0.0144 0.0005 1980 GLN 126 HE21 -0.0089 0.0126 0.0028 1981 GLY 127 N -0.0055 0.0081 -0.0110 1982 GLY 127 CA -0.0021 0.0123 -0.0091 1983 GLY 127 C 0.0036 0.0197 -0.0057 1984 GLY 127 O 0.0064 0.0241 -0.0035 1985 GLY 127 H -0.0023 0.0038 -0.0147 1986 GLY 127 HA3 -0.0076 0.0132 -0.0070 1987 GLY 127 HA2 0.0015 0.0087 -0.0124 1988 CYS 128 N 0.0028 0.0102 -0.0040 1989 CYS 128 CA 0.0041 0.0134 -0.0036 1990 CYS 128 C 0.0083 0.0127 -0.0034 1991 CYS 128 O 0.0097 0.0157 -0.0030 1992 CYS 128 CB 0.0006 0.0141 -0.0037 1993 CYS 128 SG -0.0045 0.0157 -0.0039 1994 CYS 128 H 0.0011 0.0077 -0.0044 1995 CYS 128 HA 0.0044 0.0163 -0.0032 1996 CYS 128 HB3 0.0017 0.0165 -0.0034 1997 CYS 128 HB2 0.0002 0.0113 -0.0041 1998 GLY 129 N 0.0185 0.0078 -0.0118 1999 GLY 129 CA 0.0331 0.0033 -0.0088 2000 GLY 129 C 0.0316 -0.0039 -0.0099 2001 GLY 129 O 0.0420 -0.0028 -0.0073 2002 GLY 129 H 0.0141 0.0003 -0.0136 2003 GLY 129 HA3 0.0404 0.0136 -0.0062 2004 GLY 129 HA2 0.0394 -0.0049 -0.0082 2005 VAL 130 N 0.0146 -0.0071 -0.0132 2006 VAL 130 CA 0.0131 -0.0078 -0.0131 2007 VAL 130 C 0.0120 -0.0169 -0.0140 2008 VAL 130 O 0.0105 -0.0181 -0.0140 2009 VAL 130 CB 0.0052 -0.0028 -0.0116 2010 VAL 130 CG1 0.0064 0.0067 -0.0106 2011 VAL 130 CG2 -0.0028 -0.0063 -0.0111 2012 VAL 130 OXT 0.0124 -0.0216 -0.0146 2013 VAL 130 H 0.0098 -0.0090 -0.0128 2014 VAL 130 HA 0.0187 -0.0050 -0.0134 2015 VAL 130 HB 0.0043 -0.0039 -0.0116 2016 VAL 130 HG11 0.0006 0.0100 -0.0095 2017 VAL 130 HG12 0.0119 0.0090 -0.0109 2018 VAL 130 HG13 0.0074 0.0080 -0.0106 2019 VAL 130 HG21 -0.0085 -0.0028 -0.0100 2020 VAL 130 HG22 -0.0021 -0.0056 -0.0111 2021 VAL 130 HG23 -0.0037 -0.0131 -0.0118