1 TRP 1 N 0.1203 0.0537 -0.1074 2 TRP 1 CA 0.0959 0.0615 -0.0795 3 TRP 1 C 0.0867 0.0643 -0.0690 4 TRP 1 O 0.0884 0.0912 -0.0631 5 TRP 1 CB 0.0805 0.0321 -0.0716 6 TRP 1 CG 0.0550 0.0358 -0.0437 7 TRP 1 CD1 0.0476 0.0650 -0.0276 8 TRP 1 CD2 0.0335 0.0100 -0.0284 9 TRP 1 NE1 0.0229 0.0588 -0.0033 10 TRP 1 CE2 0.0134 0.0253 -0.0029 11 TRP 1 CE3 0.0295 -0.0248 -0.0341 12 TRP 1 CZ2 -0.0099 0.0066 0.0163 13 TRP 1 CZ3 0.0061 -0.0436 -0.0149 14 TRP 1 CH2 -0.0135 -0.0279 0.0103 15 TRP 1 H1 0.1307 0.0692 -0.1141 16 TRP 1 H2 0.1192 0.0290 -0.1133 17 TRP 1 H3 0.1280 0.0576 -0.1144 18 TRP 1 HA 0.0960 0.0843 -0.0731 19 TRP 1 HB2 0.0864 0.0315 -0.0781 20 TRP 1 HB3 0.0820 0.0091 -0.0799 21 TRP 1 HD1 0.0590 0.0892 -0.0328 22 TRP 1 HE1 0.0130 0.0758 0.0119 23 TRP 1 HE3 0.0445 -0.0372 -0.0534 24 TRP 1 HZ2 -0.0249 0.0189 0.0357 25 TRP 1 HZ3 0.0033 -0.0703 -0.0194 26 TRP 1 HH2 -0.0314 -0.0425 0.0251 27 CYS 2 N 0.0324 0.0092 -0.0226 28 CYS 2 CA 0.0213 0.0068 -0.0138 29 CYS 2 C 0.0272 -0.0048 -0.0130 30 CYS 2 O 0.0343 -0.0174 -0.0126 31 CYS 2 CB 0.0114 0.0003 -0.0042 32 CYS 2 SG 0.0201 -0.0185 -0.0022 33 CYS 2 H 0.0380 0.0005 -0.0228 34 CYS 2 HA 0.0160 0.0176 -0.0147 35 CYS 2 HB2 0.0025 -0.0007 0.0025 36 CYS 2 HB3 0.0083 0.0080 -0.0053 37 SER 3 N 0.0154 0.0025 -0.0059 38 SER 3 CA 0.0160 -0.0012 0.0012 39 SER 3 C 0.0138 -0.0040 0.0055 40 SER 3 O 0.0183 -0.0050 0.0095 41 SER 3 CB 0.0107 -0.0027 0.0014 42 SER 3 OG 0.0035 -0.0033 -0.0010 43 SER 3 H 0.0110 0.0030 -0.0089 44 SER 3 HA 0.0215 -0.0006 0.0029 45 SER 3 HB2 0.0108 -0.0054 0.0064 46 SER 3 HB3 0.0123 -0.0006 -0.0017 47 SER 3 HG 0.0027 -0.0009 -0.0057 48 THR 4 N -0.0005 -0.0061 0.0032 49 THR 4 CA -0.0005 -0.0061 0.0039 50 THR 4 C 0.0004 -0.0058 0.0030 51 THR 4 O -0.0001 -0.0060 0.0024 52 THR 4 CB -0.0019 -0.0066 0.0040 53 THR 4 OG1 -0.0026 -0.0069 0.0027 54 THR 4 CG2 -0.0026 -0.0069 0.0053 55 THR 4 H -0.0013 -0.0064 0.0025 56 THR 4 HA -0.0001 -0.0059 0.0050 57 THR 4 HB -0.0020 -0.0066 0.0041 58 THR 4 HG1 -0.0035 -0.0073 0.0028 59 THR 4 HG21 -0.0019 -0.0066 0.0059 60 THR 4 HG22 -0.0034 -0.0072 0.0049 61 THR 4 HG23 -0.0031 -0.0070 0.0060 62 CYS 5 N 0.0012 -0.0079 0.0027 63 CYS 5 CA -0.0005 -0.0080 0.0038 64 CYS 5 C -0.0014 -0.0099 0.0033 65 CYS 5 O -0.0009 -0.0107 0.0026 66 CYS 5 CB -0.0004 -0.0070 0.0043 67 CYS 5 SG 0.0009 -0.0075 0.0031 68 CYS 5 H 0.0019 -0.0083 0.0021 69 CYS 5 HA -0.0011 -0.0076 0.0044 70 CYS 5 HB2 -0.0016 -0.0071 0.0050 71 CYS 5 HB3 0.0001 -0.0057 0.0047 72 LEU 6 N -0.0069 -0.0026 0.0008 73 LEU 6 CA -0.0088 -0.0009 -0.0012 74 LEU 6 C -0.0107 -0.0015 0.0001 75 LEU 6 O -0.0104 -0.0032 0.0025 76 LEU 6 CB -0.0061 0.0002 -0.0033 77 LEU 6 CG -0.0037 0.0004 -0.0041 78 LEU 6 CD1 -0.0015 0.0018 -0.0066 79 LEU 6 CD2 -0.0055 0.0011 -0.0048 80 LEU 6 H -0.0047 -0.0031 0.0011 81 LEU 6 HA -0.0104 0.0001 -0.0021 82 LEU 6 HB2 -0.0049 -0.0006 -0.0025 83 LEU 6 HB3 -0.0073 0.0017 -0.0051 84 LEU 6 HG -0.0022 -0.0010 -0.0025 85 LEU 6 HD11 -0.0011 0.0017 -0.0066 86 LEU 6 HD12 -0.0026 0.0033 -0.0084 87 LEU 6 HD13 0.0009 0.0014 -0.0066 88 LEU 6 HD21 -0.0080 0.0019 -0.0053 89 LEU 6 HD22 -0.0058 -0.0001 -0.0030 90 LEU 6 HD23 -0.0042 0.0021 -0.0064 91 ASP 7 N -0.0220 0.0020 -0.0036 92 ASP 7 CA -0.0270 0.0020 -0.0010 93 ASP 7 C -0.0243 0.0028 -0.0038 94 ASP 7 O -0.0279 0.0034 -0.0030 95 ASP 7 CB -0.0341 0.0052 -0.0032 96 ASP 7 CG -0.0400 0.0049 0.0005 97 ASP 7 OD1 -0.0395 0.0017 0.0061 98 ASP 7 OD2 -0.0448 0.0078 -0.0024 99 ASP 7 H -0.0224 0.0044 -0.0079 100 ASP 7 HA -0.0275 -0.0007 0.0042 101 ASP 7 HB2 -0.0353 0.0050 -0.0022 102 ASP 7 HB3 -0.0339 0.0079 -0.0083 103 LEU 8 N -0.0149 0.0075 -0.0034 104 LEU 8 CA -0.0125 0.0083 -0.0069 105 LEU 8 C -0.0104 0.0048 -0.0072 106 LEU 8 O -0.0097 0.0016 -0.0058 107 LEU 8 CB -0.0110 0.0090 -0.0092 108 LEU 8 CG -0.0132 0.0124 -0.0088 109 LEU 8 CD1 -0.0122 0.0124 -0.0101 110 LEU 8 CD2 -0.0136 0.0160 -0.0108 111 LEU 8 H -0.0146 0.0061 -0.0028 112 LEU 8 HA -0.0133 0.0108 -0.0076 113 LEU 8 HB2 -0.0103 0.0065 -0.0084 114 LEU 8 HB3 -0.0092 0.0095 -0.0117 115 LEU 8 HG -0.0153 0.0123 -0.0062 116 LEU 8 HD11 -0.0098 0.0114 -0.0123 117 LEU 8 HD12 -0.0132 0.0152 -0.0108 118 LEU 8 HD13 -0.0127 0.0105 -0.0082 119 LEU 8 HD21 -0.0129 0.0154 -0.0113 120 LEU 8 HD22 -0.0158 0.0181 -0.0095 121 LEU 8 HD23 -0.0123 0.0172 -0.0132 122 ALA 9 N -0.0196 0.0092 -0.0131 123 ALA 9 CA -0.0159 0.0062 -0.0099 124 ALA 9 C -0.0092 0.0034 -0.0146 125 ALA 9 O -0.0084 0.0046 -0.0213 126 ALA 9 CB -0.0204 0.0089 -0.0103 127 ALA 9 H -0.0233 0.0121 -0.0160 128 ALA 9 HA -0.0153 0.0043 -0.0042 129 ALA 9 HB1 -0.0212 0.0109 -0.0160 130 ALA 9 HB2 -0.0179 0.0069 -0.0083 131 ALA 9 HB3 -0.0251 0.0108 -0.0068 132 CYS 10 N -0.0064 0.0043 -0.0160 133 CYS 10 CA 0.0003 0.0007 -0.0208 134 CYS 10 C 0.0030 0.0023 -0.0270 135 CYS 10 O -0.0003 0.0071 -0.0285 136 CYS 10 CB 0.0035 -0.0066 -0.0157 137 CYS 10 SG 0.0037 -0.0087 -0.0131 138 CYS 10 H -0.0076 0.0020 -0.0112 139 CYS 10 HA 0.0008 0.0018 -0.0230 140 CYS 10 HB2 0.0082 -0.0095 -0.0186 141 CYS 10 HB3 0.0009 -0.0075 -0.0109 142 GLY 11 N 0.0084 -0.0042 -0.0447 143 GLY 11 CA 0.0165 -0.0010 -0.0587 144 GLY 11 C 0.0187 -0.0035 -0.0635 145 GLY 11 O 0.0247 -0.0057 -0.0751 146 GLY 11 H 0.0055 -0.0133 -0.0418 147 GLY 11 HA2 0.0185 -0.0082 -0.0644 148 GLY 11 HA3 0.0187 0.0103 -0.0598 149 ALA 12 N 0.0137 0.0000 -0.0549 150 ALA 12 CA 0.0102 -0.0004 -0.0507 151 ALA 12 C 0.0013 -0.0024 -0.0421 152 ALA 12 O 0.0015 0.0016 -0.0340 153 ALA 12 CB 0.0180 0.0071 -0.0465 154 ALA 12 H 0.0119 0.0009 -0.0507 155 ALA 12 HA 0.0089 -0.0042 -0.0566 156 ALA 12 HB1 0.0235 0.0106 -0.0473 157 ALA 12 HB2 0.0153 0.0091 -0.0385 158 ALA 12 HB3 0.0206 0.0070 -0.0507 159 SER 13 N -0.0071 0.0029 -0.0369 160 SER 13 CA -0.0144 0.0030 -0.0326 161 SER 13 C -0.0116 0.0037 -0.0218 162 SER 13 O -0.0130 0.0039 -0.0183 163 SER 13 CB -0.0243 0.0029 -0.0331 164 SER 13 OG -0.0319 0.0029 -0.0296 165 SER 13 H -0.0095 0.0026 -0.0409 166 SER 13 HA -0.0146 0.0028 -0.0368 167 SER 13 HB2 -0.0259 0.0024 -0.0406 168 SER 13 HB3 -0.0241 0.0031 -0.0286 169 SER 13 HG -0.0373 0.0030 -0.0275 170 ARG 14 N -0.0260 0.0218 -0.0309 171 ARG 14 CA -0.0179 0.0112 -0.0082 172 ARG 14 C 0.0085 0.0015 -0.0136 173 ARG 14 O 0.0150 -0.0033 -0.0074 174 ARG 14 CB -0.0207 0.0060 0.0120 175 ARG 14 CG -0.0229 -0.0012 0.0381 176 ARG 14 CD -0.0164 -0.0101 0.0575 177 ARG 14 NE -0.0384 -0.0022 0.0626 178 ARG 14 CZ -0.0574 0.0015 0.0769 179 ARG 14 NH1 -0.0572 -0.0017 0.0868 180 ARG 14 NH2 -0.0765 0.0084 0.0814 181 ARG 14 H -0.0293 0.0232 -0.0310 182 ARG 14 HA -0.0294 0.0143 -0.0023 183 ARG 14 HB2 -0.0368 0.0135 0.0102 184 ARG 14 HB3 -0.0050 -0.0000 0.0098 185 ARG 14 HG2 -0.0106 -0.0064 0.0378 186 ARG 14 HG3 -0.0412 0.0051 0.0432 187 ARG 14 HD2 -0.0010 -0.0143 0.0498 188 ARG 14 HD3 -0.0127 -0.0170 0.0745 189 ARG 14 HE -0.0386 0.0002 0.0552 190 ARG 14 HH11 -0.0426 -0.0069 0.0835 191 ARG 14 HH12 -0.0718 0.0012 0.0978 192 ARG 14 HH21 -0.0767 0.0108 0.0738 193 ARG 14 HH22 -0.0911 0.0112 0.0924 194 GLU 15 N 0.0080 0.0042 -0.0216 195 GLU 15 CA 0.0110 0.0087 -0.0187 196 GLU 15 C 0.0094 0.0074 -0.0140 197 GLU 15 O 0.0104 0.0096 -0.0090 198 GLU 15 CB 0.0136 0.0111 -0.0238 199 GLU 15 CG 0.0171 0.0162 -0.0215 200 GLU 15 CD 0.0200 0.0190 -0.0269 201 GLU 15 OE1 0.0190 0.0168 -0.0314 202 GLU 15 OE2 0.0233 0.0234 -0.0264 203 GLU 15 H 0.0082 0.0036 -0.0260 204 GLU 15 HA 0.0125 0.0111 -0.0167 205 GLU 15 HB2 0.0143 0.0113 -0.0275 206 GLU 15 HB3 0.0122 0.0090 -0.0253 207 GLU 15 HG2 0.0165 0.0159 -0.0186 208 GLU 15 HG3 0.0181 0.0180 -0.0190 209 CYS 16 N 0.0050 0.0074 -0.0188 210 CYS 16 CA 0.0031 0.0064 -0.0161 211 CYS 16 C 0.0011 0.0049 -0.0136 212 CYS 16 O -0.0002 0.0047 -0.0106 213 CYS 16 CB 0.0023 0.0038 -0.0181 214 CYS 16 SG 0.0047 0.0057 -0.0209 215 CYS 16 H 0.0050 0.0060 -0.0212 216 CYS 16 HA 0.0039 0.0084 -0.0146 217 CYS 16 HB2 0.0017 0.0019 -0.0198 218 CYS 16 HB3 0.0009 0.0029 -0.0163 219 TYR 17 N -0.0041 0.0073 -0.0102 220 TYR 17 CA -0.0082 0.0067 -0.0062 221 TYR 17 C -0.0050 0.0054 -0.0012 222 TYR 17 O -0.0067 0.0050 0.0013 223 TYR 17 CB -0.0124 0.0067 -0.0043 224 TYR 17 CG -0.0164 0.0060 0.0002 225 TYR 17 CD1 -0.0143 0.0047 0.0055 226 TYR 17 CD2 -0.0221 0.0067 -0.0011 227 TYR 17 CE1 -0.0180 0.0041 0.0097 228 TYR 17 CE2 -0.0258 0.0061 0.0031 229 TYR 17 CZ -0.0238 0.0048 0.0085 230 TYR 17 OH -0.0274 0.0042 0.0125 231 TYR 17 H -0.0043 0.0074 -0.0107 232 TYR 17 HA -0.0105 0.0074 -0.0083 233 TYR 17 HB2 -0.0148 0.0076 -0.0078 234 TYR 17 HB3 -0.0100 0.0061 -0.0026 235 TYR 17 HD1 -0.0099 0.0042 0.0065 236 TYR 17 HD2 -0.0237 0.0077 -0.0052 237 TYR 17 HE1 -0.0165 0.0031 0.0138 238 TYR 17 HE2 -0.0302 0.0066 0.0021 239 TYR 17 HH -0.0285 0.0038 0.0150 240 ASP 18 N -0.0043 0.0066 -0.0005 241 ASP 18 CA -0.0002 0.0042 0.0047 242 ASP 18 C 0.0028 0.0038 0.0008 243 ASP 18 O 0.0014 0.0039 0.0032 244 ASP 18 CB 0.0057 0.0016 0.0070 245 ASP 18 CG 0.0048 0.0004 0.0153 246 ASP 18 OD1 0.0024 0.0006 0.0192 247 ASP 18 OD2 0.0066 -0.0006 0.0175 248 ASP 18 H -0.0026 0.0063 -0.0021 249 ASP 18 HA -0.0036 0.0045 0.0095 250 ASP 18 HB2 0.0054 0.0023 0.0040 251 ASP 18 HB3 0.0107 0.0001 0.0057 252 PRO 19 N 0.0023 0.0079 -0.0057 253 PRO 19 CA 0.0025 0.0082 -0.0047 254 PRO 19 C 0.0006 0.0068 -0.0047 255 PRO 19 O -0.0002 0.0066 -0.0029 256 PRO 19 CB 0.0040 0.0091 -0.0063 257 PRO 19 CG 0.0040 0.0086 -0.0086 258 PRO 19 CD 0.0034 0.0082 -0.0080 259 PRO 19 HA 0.0029 0.0089 -0.0030 260 PRO 19 HB2 0.0037 0.0088 -0.0065 261 PRO 19 HB3 0.0053 0.0102 -0.0057 262 PRO 19 HG2 0.0031 0.0077 -0.0096 263 PRO 19 HG3 0.0054 0.0095 -0.0095 264 PRO 19 HD2 0.0025 0.0073 -0.0092 265 PRO 19 HD3 0.0045 0.0091 -0.0080 266 CYS 20 N 0.0006 0.0066 -0.0049 267 CYS 20 CA -0.0005 0.0055 -0.0048 268 CYS 20 C -0.0013 0.0058 -0.0041 269 CYS 20 O -0.0023 0.0053 -0.0036 270 CYS 20 CB -0.0000 0.0044 -0.0058 271 CYS 20 SG -0.0012 0.0030 -0.0057 272 CYS 20 H 0.0014 0.0065 -0.0055 273 CYS 20 HA -0.0010 0.0052 -0.0046 274 CYS 20 HB2 0.0006 0.0043 -0.0063 275 CYS 20 HB3 0.0005 0.0046 -0.0060 276 PHE 21 N -0.0022 0.0067 -0.0017 277 PHE 21 CA -0.0050 0.0062 0.0017 278 PHE 21 C -0.0017 0.0045 0.0040 279 PHE 21 O -0.0028 0.0045 0.0049 280 PHE 21 CB -0.0074 0.0056 0.0053 281 PHE 21 CG -0.0096 0.0048 0.0094 282 PHE 21 CD1 -0.0114 0.0055 0.0087 283 PHE 21 CD2 -0.0099 0.0033 0.0139 284 PHE 21 CE1 -0.0134 0.0047 0.0125 285 PHE 21 CE2 -0.0119 0.0025 0.0177 286 PHE 21 CZ -0.0137 0.0032 0.0170 287 PHE 21 H -0.0010 0.0060 -0.0007 288 PHE 21 HA -0.0076 0.0075 0.0000 289 PHE 21 HB2 -0.0102 0.0069 0.0038 290 PHE 21 HB3 -0.0048 0.0045 0.0065 291 PHE 21 HD1 -0.0112 0.0067 0.0053 292 PHE 21 HD2 -0.0085 0.0027 0.0144 293 PHE 21 HE1 -0.0148 0.0053 0.0120 294 PHE 21 HE2 -0.0121 0.0013 0.0211 295 PHE 21 HZ -0.0153 0.0026 0.0199 296 LYS 22 N -0.0061 0.0066 0.0038 297 LYS 22 CA -0.0021 0.0052 0.0072 298 LYS 22 C -0.0001 0.0042 -0.0003 299 LYS 22 O 0.0011 0.0038 0.0010 300 LYS 22 CB 0.0058 0.0023 0.0117 301 LYS 22 CG 0.0055 0.0027 0.0215 302 LYS 22 CD 0.0096 0.0013 0.0268 303 LYS 22 CE 0.0169 -0.0013 0.0320 304 LYS 22 NZ 0.0167 -0.0010 0.0406 305 LYS 22 H -0.0028 0.0053 0.0028 306 LYS 22 HA -0.0060 0.0068 0.0119 307 LYS 22 HB2 0.0063 0.0021 0.0110 308 LYS 22 HB3 0.0110 0.0003 0.0088 309 LYS 22 HG2 0.0088 0.0015 0.0226 310 LYS 22 HG3 -0.0007 0.0051 0.0235 311 LYS 22 HD2 0.0052 0.0031 0.0312 312 LYS 22 HD3 0.0118 0.0004 0.0224 313 LYS 22 HE2 0.0226 -0.0035 0.0286 314 LYS 22 HE3 0.0161 -0.0010 0.0329 315 LYS 22 HZ1 0.0111 0.0012 0.0435 316 LYS 22 HZ2 0.0175 -0.0013 0.0396 317 LYS 22 HZ3 0.0214 -0.0026 0.0446 318 ALA 23 N -0.0021 0.0054 -0.0005 319 ALA 23 CA -0.0025 0.0048 -0.0018 320 ALA 23 C -0.0040 0.0053 -0.0024 321 ALA 23 O -0.0047 0.0055 -0.0026 322 ALA 23 CB -0.0017 0.0039 -0.0026 323 ALA 23 H -0.0018 0.0052 -0.0005 324 ALA 23 HA -0.0022 0.0048 -0.0016 325 ALA 23 HB1 -0.0013 0.0039 -0.0022 326 ALA 23 HB2 -0.0023 0.0036 -0.0036 327 ALA 23 HB3 -0.0008 0.0034 -0.0026 328 PHE 24 N -0.0038 0.0061 -0.0007 329 PHE 24 CA -0.0050 0.0062 -0.0010 330 PHE 24 C -0.0048 0.0083 -0.0009 331 PHE 24 O -0.0060 0.0090 -0.0012 332 PHE 24 CB -0.0041 0.0047 -0.0008 333 PHE 24 CG -0.0045 0.0027 -0.0010 334 PHE 24 CD1 -0.0063 0.0022 -0.0017 335 PHE 24 CD2 -0.0030 0.0013 -0.0006 336 PHE 24 CE1 -0.0066 0.0004 -0.0019 337 PHE 24 CE2 -0.0033 -0.0005 -0.0008 338 PHE 24 CZ -0.0051 -0.0010 -0.0014 339 PHE 24 H -0.0025 0.0057 -0.0003 340 PHE 24 HA -0.0064 0.0059 -0.0015 341 PHE 24 HB2 -0.0026 0.0049 -0.0003 342 PHE 24 HB3 -0.0047 0.0048 -0.0010 343 PHE 24 HD1 -0.0074 0.0032 -0.0020 344 PHE 24 HD2 -0.0016 0.0017 -0.0002 345 PHE 24 HE1 -0.0080 -0.0000 -0.0023 346 PHE 24 HE2 -0.0022 -0.0015 -0.0005 347 PHE 24 HZ -0.0054 -0.0024 -0.0016 348 GLY 25 N -0.0057 0.0086 -0.0018 349 GLY 25 CA -0.0066 0.0101 -0.0004 350 GLY 25 C -0.0073 0.0116 0.0008 351 GLY 25 O -0.0079 0.0126 0.0025 352 GLY 25 H -0.0050 0.0076 -0.0010 353 GLY 25 HA2 -0.0060 0.0095 0.0008 354 GLY 25 HA3 -0.0071 0.0110 -0.0016 355 ARG 26 N -0.0062 0.0123 -0.0012 356 ARG 26 CA -0.0037 0.0147 0.0028 357 ARG 26 C -0.0010 0.0097 0.0067 358 ARG 26 O -0.0017 0.0047 0.0052 359 ARG 26 CB -0.0058 0.0165 -0.0002 360 ARG 26 CG -0.0085 0.0216 -0.0040 361 ARG 26 CD -0.0093 0.0255 -0.0051 362 ARG 26 NE -0.0121 0.0301 -0.0090 363 ARG 26 CZ -0.0128 0.0350 -0.0098 364 ARG 26 NH1 -0.0112 0.0360 -0.0073 365 ARG 26 NH2 -0.0153 0.0389 -0.0133 366 ARG 26 H -0.0075 0.0086 -0.0033 367 ARG 26 HA -0.0026 0.0187 0.0048 368 ARG 26 HB2 -0.0070 0.0125 -0.0023 369 ARG 26 HB3 -0.0041 0.0183 0.0025 370 ARG 26 HG2 -0.0075 0.0245 -0.0024 371 ARG 26 HG3 -0.0107 0.0195 -0.0076 372 ARG 26 HD2 -0.0102 0.0227 -0.0066 373 ARG 26 HD3 -0.0071 0.0279 -0.0016 374 ARG 26 HE -0.0133 0.0293 -0.0109 375 ARG 26 HH11 -0.0094 0.0330 -0.0047 376 ARG 26 HH12 -0.0118 0.0397 -0.0079 377 ARG 26 HH21 -0.0165 0.0382 -0.0152 378 ARG 26 HH22 -0.0158 0.0427 -0.0139 379 ALA 27 N -0.0054 0.0060 -0.0008 380 ALA 27 CA -0.0053 0.0067 -0.0019 381 ALA 27 C -0.0057 0.0064 -0.0027 382 ALA 27 O -0.0061 0.0060 -0.0037 383 ALA 27 CB -0.0055 0.0066 -0.0025 384 ALA 27 H -0.0057 0.0055 -0.0006 385 ALA 27 HA -0.0048 0.0075 -0.0018 386 ALA 27 HB1 -0.0055 0.0062 -0.0018 387 ALA 27 HB2 -0.0060 0.0061 -0.0032 388 ALA 27 HB3 -0.0052 0.0073 -0.0029 389 HIS 28 N 0.0052 0.0076 0.0022 390 HIS 28 CA 0.0073 0.0036 0.0046 391 HIS 28 C 0.0041 -0.0015 0.0061 392 HIS 28 O -0.0002 -0.0026 0.0055 393 HIS 28 CB 0.0066 0.0054 0.0036 394 HIS 28 CG 0.0110 0.0036 0.0055 395 HIS 28 ND1 0.0131 0.0063 0.0048 396 HIS 28 CD2 0.0137 -0.0006 0.0082 397 HIS 28 CE1 0.0169 0.0037 0.0070 398 HIS 28 NE2 0.0174 -0.0006 0.0091 399 HIS 28 H 0.0014 0.0079 0.0011 400 HIS 28 HA 0.0115 0.0034 0.0058 401 HIS 28 HB2 0.0069 0.0094 0.0018 402 HIS 28 HB3 0.0028 0.0038 0.0033 403 HIS 28 HD1 0.0120 0.0095 0.0031 404 HIS 28 HD2 0.0131 -0.0036 0.0094 405 HIS 28 HE1 0.0192 0.0049 0.0070 406 GLY 29 N 0.0119 0.0015 -0.0013 407 GLY 29 CA 0.0100 -0.0036 -0.0013 408 GLY 29 C 0.0165 -0.0085 -0.0037 409 GLY 29 O 0.0218 -0.0087 -0.0052 410 GLY 29 H 0.0171 0.0029 -0.0026 411 GLY 29 HA2 0.0053 -0.0072 -0.0004 412 GLY 29 HA3 0.0087 -0.0002 -0.0006 413 LYS 30 N 0.0186 -0.0056 -0.0082 414 LYS 30 CA 0.0345 -0.0183 -0.0131 415 LYS 30 C 0.0222 -0.0075 -0.0099 416 LYS 30 O 0.0024 0.0092 -0.0041 417 LYS 30 CB 0.0369 -0.0484 0.0010 418 LYS 30 CG 0.0629 -0.0630 -0.0103 419 LYS 30 CD 0.0637 -0.0917 0.0042 420 LYS 30 CE 0.0851 -0.1116 -0.0009 421 LYS 30 NZ 0.1045 -0.1200 -0.0107 422 LYS 30 H 0.0007 -0.0012 0.0026 423 LYS 30 HA 0.0523 -0.0147 -0.0280 424 LYS 30 HB2 0.0237 -0.0515 0.0123 425 LYS 30 HB3 0.0336 -0.0563 0.0076 426 LYS 30 HG2 0.0757 -0.0636 -0.0194 427 LYS 30 HG3 0.0677 -0.0524 -0.0194 428 LYS 30 HD2 0.0663 -0.0937 0.0034 429 LYS 30 HD3 0.0467 -0.0959 0.0189 430 LYS 30 HE2 0.0795 -0.1288 0.0122 431 LYS 30 HE3 0.0917 -0.1019 -0.0109 432 LYS 30 HZ1 0.0964 -0.1221 -0.0037 433 LYS 30 HZ2 0.1167 -0.1383 -0.0099 434 LYS 30 HZ3 0.1141 -0.1056 -0.0253 435 CYS 31 N 0.0236 -0.0214 -0.0019 436 CYS 31 CA 0.0138 -0.0163 0.0009 437 CYS 31 C 0.0114 -0.0184 0.0132 438 CYS 31 O 0.0154 -0.0222 0.0180 439 CYS 31 CB 0.0146 -0.0152 -0.0049 440 CYS 31 SG 0.0040 -0.0101 -0.0001 441 CYS 31 H 0.0294 -0.0249 -0.0021 442 CYS 31 HA 0.0084 -0.0122 -0.0022 443 CYS 31 HB2 0.0151 -0.0130 -0.0135 444 CYS 31 HB3 0.0210 -0.0196 -0.0031 445 MET 32 N 0.0019 -0.0119 0.0240 446 MET 32 CA 0.0018 -0.0105 0.0300 447 MET 32 C -0.0054 -0.0113 0.0312 448 MET 32 O -0.0081 -0.0127 0.0268 449 MET 32 CB 0.0069 -0.0101 0.0282 450 MET 32 CG 0.0098 -0.0082 0.0347 451 MET 32 SD 0.0145 -0.0079 0.0328 452 MET 32 CE 0.0191 -0.0055 0.0405 453 MET 32 H 0.0007 -0.0131 0.0196 454 MET 32 HA 0.0034 -0.0092 0.0343 455 MET 32 HB2 0.0110 -0.0103 0.0251 456 MET 32 HB3 0.0044 -0.0111 0.0256 457 MET 32 HG2 0.0057 -0.0080 0.0382 458 MET 32 HG3 0.0132 -0.0072 0.0368 459 MET 32 HE1 0.0164 -0.0050 0.0443 460 MET 32 HE2 0.0242 -0.0049 0.0396 461 MET 32 HE3 0.0195 -0.0050 0.0421 462 ASN 33 N -0.0059 -0.0027 0.0396 463 ASN 33 CA -0.0158 0.0021 0.0424 464 ASN 33 C -0.0237 0.0018 0.0330 465 ASN 33 O -0.0288 0.0030 0.0308 466 ASN 33 CB -0.0135 0.0026 0.0463 467 ASN 33 CG -0.0182 0.0080 0.0562 468 ASN 33 OD1 -0.0235 0.0112 0.0593 469 ASN 33 ND2 -0.0164 0.0091 0.0613 470 ASN 33 H -0.0031 -0.0028 0.0426 471 ASN 33 HA -0.0183 0.0052 0.0483 472 ASN 33 HB2 -0.0055 0.0000 0.0477 473 ASN 33 HB3 -0.0167 0.0018 0.0407 474 ASN 33 HD21 -0.0121 0.0066 0.0588 475 ASN 33 HD22 -0.0193 0.0126 0.0677 476 ASN 34 N -0.0155 -0.0019 0.0330 477 ASN 34 CA -0.0226 -0.0015 0.0235 478 ASN 34 C -0.0218 -0.0024 0.0135 479 ASN 34 O -0.0287 -0.0020 0.0058 480 ASN 34 CB -0.0345 0.0008 0.0282 481 ASN 34 CG -0.0344 0.0018 0.0397 482 ASN 34 OD1 -0.0413 0.0035 0.0467 483 ASN 34 ND2 -0.0270 0.0008 0.0421 484 ASN 34 H -0.0095 -0.0026 0.0360 485 ASN 34 HA -0.0203 -0.0021 0.0212 486 ASN 34 HB2 -0.0374 0.0014 0.0289 487 ASN 34 HB3 -0.0399 0.0012 0.0225 488 ASN 34 HD21 -0.0215 -0.0006 0.0364 489 ASN 34 HD22 -0.0269 0.0014 0.0494 490 LYS 35 N -0.0139 -0.0065 0.0167 491 LYS 35 CA -0.0133 -0.0068 0.0101 492 LYS 35 C -0.0065 -0.0058 0.0078 493 LYS 35 O -0.0022 -0.0050 0.0116 494 LYS 35 CB -0.0155 -0.0071 0.0106 495 LYS 35 CG -0.0225 -0.0081 0.0125 496 LYS 35 CD -0.0254 -0.0086 0.0105 497 LYS 35 CE -0.0325 -0.0097 0.0113 498 LYS 35 NZ -0.0348 -0.0102 0.0085 499 LYS 35 H -0.0109 -0.0059 0.0199 500 LYS 35 HA -0.0163 -0.0074 0.0069 501 LYS 35 HB2 -0.0128 -0.0065 0.0142 502 LYS 35 HB3 -0.0149 -0.0072 0.0061 503 LYS 35 HG2 -0.0249 -0.0086 0.0101 504 LYS 35 HG3 -0.0230 -0.0079 0.0175 505 LYS 35 HD2 -0.0235 -0.0082 0.0134 506 LYS 35 HD3 -0.0242 -0.0087 0.0056 507 LYS 35 HE2 -0.0344 -0.0101 0.0088 508 LYS 35 HE3 -0.0338 -0.0096 0.0163 509 LYS 35 HZ1 -0.0325 -0.0101 0.0043 510 LYS 35 HZ2 -0.0396 -0.0110 0.0077 511 LYS 35 HZ3 -0.0341 -0.0099 0.0117 512 CYS 36 N -0.0045 -0.0023 -0.0018 513 CYS 36 CA 0.0002 -0.0048 -0.0034 514 CYS 36 C -0.0003 -0.0059 -0.0001 515 CYS 36 O -0.0039 -0.0036 0.0003 516 CYS 36 CB 0.0007 -0.0025 -0.0096 517 CYS 36 SG 0.0047 -0.0034 -0.0137 518 CYS 36 H -0.0071 0.0003 -0.0041 519 CYS 36 HA 0.0034 -0.0071 -0.0028 520 CYS 36 HB2 -0.0029 0.0004 -0.0106 521 CYS 36 HB3 0.0024 -0.0032 -0.0105 522 ARG 37 N 0.0020 -0.0097 0.0076 523 ARG 37 CA 0.0020 -0.0086 0.0048 524 ARG 37 C 0.0039 -0.0054 0.0037 525 ARG 37 O 0.0057 -0.0037 0.0055 526 ARG 37 CB 0.0020 -0.0092 0.0063 527 ARG 37 CG 0.0022 -0.0079 0.0037 528 ARG 37 CD 0.0031 -0.0074 0.0056 529 ARG 37 NE 0.0034 -0.0059 0.0029 530 ARG 37 CZ 0.0045 -0.0047 0.0038 531 ARG 37 NH1 0.0053 -0.0048 0.0069 532 ARG 37 NH2 0.0048 -0.0033 0.0014 533 ARG 37 H 0.0032 -0.0088 0.0097 534 ARG 37 HA 0.0006 -0.0098 0.0027 535 ARG 37 HB2 0.0005 -0.0115 0.0068 536 ARG 37 HB3 0.0032 -0.0083 0.0086 537 ARG 37 HG2 0.0033 -0.0059 0.0025 538 ARG 37 HG3 0.0007 -0.0093 0.0019 539 ARG 37 HD2 0.0019 -0.0094 0.0067 540 ARG 37 HD3 0.0045 -0.0061 0.0075 541 ARG 37 HE 0.0028 -0.0058 0.0005 542 ARG 37 HH11 0.0051 -0.0058 0.0087 543 ARG 37 HH12 0.0061 -0.0038 0.0076 544 ARG 37 HH21 0.0042 -0.0033 -0.0010 545 ARG 37 HH22 0.0057 -0.0024 0.0021 546 CYS 38 N 0.0005 -0.0057 0.0009 547 CYS 38 CA 0.0009 -0.0051 0.0007 548 CYS 38 C -0.0010 -0.0067 0.0016 549 CYS 38 O -0.0029 -0.0077 0.0025 550 CYS 38 CB 0.0002 -0.0021 0.0002 551 CYS 38 SG 0.0021 -0.0002 -0.0008 552 CYS 38 H -0.0006 -0.0044 0.0010 553 CYS 38 HA 0.0029 -0.0056 0.0001 554 CYS 38 HB2 -0.0019 -0.0016 0.0008 555 CYS 38 HB3 0.0007 -0.0014 -0.0001 556 TYR 39 N -0.0043 -0.0094 0.0035 557 TYR 39 CA -0.0087 -0.0117 0.0037 558 TYR 39 C -0.0111 -0.0087 0.0048 559 TYR 39 O -0.0089 -0.0056 0.0052 560 TYR 39 CB -0.0073 -0.0163 0.0024 561 TYR 39 CG -0.0047 -0.0152 0.0022 562 TYR 39 CD1 -0.0073 -0.0144 0.0028 563 TYR 39 CD2 0.0002 -0.0150 0.0015 564 TYR 39 CE1 -0.0050 -0.0135 0.0027 565 TYR 39 CE2 0.0025 -0.0141 0.0013 566 TYR 39 CZ -0.0001 -0.0133 0.0019 567 TYR 39 OH 0.0022 -0.0123 0.0018 568 TYR 39 H -0.0021 -0.0078 0.0036 569 TYR 39 HA -0.0111 -0.0125 0.0039 570 TYR 39 HB2 -0.0103 -0.0185 0.0024 571 TYR 39 HB3 -0.0049 -0.0180 0.0016 572 TYR 39 HD1 -0.0111 -0.0146 0.0034 573 TYR 39 HD2 0.0022 -0.0157 0.0010 574 TYR 39 HE1 -0.0070 -0.0128 0.0032 575 TYR 39 HE2 0.0064 -0.0139 0.0007 576 TYR 39 HH 0.0031 -0.0152 0.0009 577 THR 40 N -0.0155 -0.0086 0.0018 578 THR 40 CA -0.0187 -0.0050 0.0032 579 THR 40 C -0.0221 -0.0076 0.0022 580 THR 40 O -0.0221 -0.0120 0.0006 581 THR 40 CB -0.0221 -0.0025 0.0041 582 THR 40 OG1 -0.0256 -0.0059 0.0029 583 THR 40 CG2 -0.0186 -0.0004 0.0048 584 THR 40 OXT -0.0245 -0.0051 0.0032 585 THR 40 H -0.0173 -0.0114 0.0008 586 THR 40 HA -0.0162 -0.0023 0.0041 587 THR 40 HB -0.0242 0.0005 0.0052 588 THR 40 HG1 -0.0239 -0.0090 0.0017 589 THR 40 HG21 -0.0148 -0.0021 0.0042 590 THR 40 HG22 -0.0204 -0.0013 0.0045 591 THR 40 HG23 -0.0183 0.0035 0.0063