1 ASP 28 N -0.0708 -0.0224 0.0442 2 ASP 28 CA -0.0461 -0.0326 0.0091 3 ASP 28 C -0.0235 -0.0006 -0.0193 4 ASP 28 O -0.0208 0.0060 -0.0225 5 ASP 28 CB -0.0402 -0.0819 -0.0035 6 ASP 28 CG -0.0151 -0.0952 -0.0394 7 ASP 28 OD1 -0.0141 -0.0966 -0.0409 8 ASP 28 OD2 0.0034 -0.1067 -0.0660 9 ASP 28 H -0.0867 -0.0443 0.0641 10 ASP 28 HA -0.0487 -0.0277 0.0131 11 ASP 28 HB2 -0.0565 -0.1041 0.0170 12 ASP 28 HB3 -0.0383 -0.0867 -0.0065 13 PRO 29 N 0.0263 0.0752 -0.1638 14 PRO 29 CA 0.1030 0.0639 -0.1377 15 PRO 29 C 0.0510 0.1105 -0.2661 16 PRO 29 O -0.0995 0.1284 -0.3047 17 PRO 29 CB 0.0327 0.0085 0.0255 18 PRO 29 CG -0.0341 -0.0171 0.1035 19 PRO 29 CD -0.0866 0.0311 -0.0292 20 PRO 29 HA 0.2396 0.0585 -0.1335 21 PRO 29 HB2 -0.0649 0.0185 0.0050 22 PRO 29 HB3 0.1334 -0.0186 0.0942 23 PRO 29 HG2 -0.1423 -0.0405 0.1787 24 PRO 29 HG3 0.0645 -0.0448 0.1743 25 PRO 29 HD2 -0.2187 0.0451 -0.0584 26 PRO 29 HD3 -0.0641 0.0180 0.0062 27 ASN 30 N 0.0213 -0.0329 -0.1132 28 ASN 30 CA 0.0280 -0.0494 -0.0617 29 ASN 30 C 0.0242 -0.0091 -0.0821 30 ASN 30 O 0.0260 0.0502 -0.0513 31 ASN 30 CB 0.0370 -0.0338 0.0185 32 ASN 30 CG 0.0445 -0.0477 0.0779 33 ASN 30 OD1 0.0499 -0.1095 0.1063 34 ASN 30 ND2 0.0451 0.0091 0.0985 35 ASN 30 H 0.0201 -0.0750 -0.1347 36 ASN 30 HA 0.0293 -0.1088 -0.0670 37 ASN 30 HB2 0.0395 -0.0696 0.0298 38 ASN 30 HB3 0.0350 0.0237 0.0177 39 ASN 30 HD21 0.0407 0.0580 0.0749 40 ASN 30 HD22 0.0498 0.0012 0.1360 41 ALA 31 N 0.0072 -0.0179 -0.0408 42 ALA 31 CA 0.0071 -0.0156 -0.0424 43 ALA 31 C 0.0090 -0.0155 -0.0443 44 ALA 31 O 0.0106 -0.0158 -0.0455 45 ALA 31 CB 0.0067 -0.0144 -0.0429 46 ALA 31 H 0.0086 -0.0191 -0.0411 47 ALA 31 HA 0.0058 -0.0146 -0.0419 48 ALA 31 HB1 0.0065 -0.0127 -0.0441 49 ALA 31 HB2 0.0080 -0.0153 -0.0435 50 ALA 31 HB3 0.0053 -0.0144 -0.0416 51 GLU 32 N 0.0150 0.0137 -0.0083 52 GLU 32 CA 0.0121 0.0164 -0.0022 53 GLU 32 C 0.0129 0.0088 0.0020 54 GLU 32 O 0.0106 0.0090 0.0085 55 GLU 32 CB 0.0117 0.0226 -0.0063 56 GLU 32 CG 0.0150 0.0192 -0.0129 57 GLU 32 CD 0.0144 0.0256 -0.0165 58 GLU 32 OE1 0.0131 0.0260 -0.0131 59 GLU 32 OE2 0.0152 0.0304 -0.0227 60 GLU 32 H 0.0169 0.0142 -0.0140 61 GLU 32 HA 0.0097 0.0195 0.0021 62 GLU 32 HB2 0.0095 0.0246 -0.0016 63 GLU 32 HB3 0.0112 0.0279 -0.0092 64 GLU 32 HG2 0.0173 0.0174 -0.0179 65 GLU 32 HG3 0.0157 0.0138 -0.0102 66 PHE 33 N 0.0118 0.0162 0.0047 67 PHE 33 CA 0.0121 0.0130 0.0055 68 PHE 33 C 0.0113 0.0133 0.0057 69 PHE 33 O 0.0110 0.0160 0.0051 70 PHE 33 CB 0.0156 0.0115 0.0046 71 PHE 33 CG 0.0181 0.0137 0.0031 72 PHE 33 CD1 0.0189 0.0136 0.0027 73 PHE 33 CD2 0.0195 0.0157 0.0019 74 PHE 33 CE1 0.0211 0.0156 0.0013 75 PHE 33 CE2 0.0216 0.0177 0.0005 76 PHE 33 CZ 0.0225 0.0176 0.0001 77 PHE 33 H 0.0134 0.0178 0.0036 78 PHE 33 HA 0.0106 0.0115 0.0066 79 PHE 33 HB2 0.0159 0.0093 0.0052 80 PHE 33 HB3 0.0161 0.0110 0.0046 81 PHE 33 HD1 0.0179 0.0121 0.0036 82 PHE 33 HD2 0.0188 0.0157 0.0021 83 PHE 33 HE1 0.0218 0.0156 0.0010 84 PHE 33 HE2 0.0227 0.0193 -0.0004 85 PHE 33 HZ 0.0242 0.0192 -0.0010 86 ASP 34 N 0.0093 0.0046 0.0135 87 ASP 34 CA 0.0054 0.0034 0.0154 88 ASP 34 C 0.0034 0.0018 0.0137 89 ASP 34 O 0.0039 0.0008 0.0101 90 ASP 34 CB 0.0035 0.0022 0.0148 91 ASP 34 CG -0.0004 0.0012 0.0171 92 ASP 34 OD1 -0.0030 -0.0005 0.0160 93 ASP 34 OD2 -0.0009 0.0020 0.0202 94 ASP 34 H 0.0098 0.0039 0.0109 95 ASP 34 HA 0.0054 0.0045 0.0186 96 ASP 34 HB2 0.0051 0.0034 0.0157 97 ASP 34 HB3 0.0033 0.0010 0.0117 98 PRO 35 N -0.0047 0.0035 0.0125 99 PRO 35 CA -0.0081 0.0061 0.0147 100 PRO 35 C -0.0086 0.0107 0.0127 101 PRO 35 O -0.0113 0.0132 0.0144 102 PRO 35 CB -0.0090 0.0036 0.0170 103 PRO 35 CG -0.0058 0.0017 0.0146 104 PRO 35 CD -0.0030 0.0007 0.0123 105 PRO 35 HA -0.0097 0.0063 0.0163 106 PRO 35 HB2 -0.0109 0.0058 0.0179 107 PRO 35 HB3 -0.0098 0.0012 0.0192 108 PRO 35 HG2 -0.0055 0.0040 0.0131 109 PRO 35 HG3 -0.0057 -0.0012 0.0161 110 PRO 35 HD2 -0.0009 0.0015 0.0096 111 PRO 35 HD3 -0.0023 -0.0027 0.0133 112 ASP 36 N -0.0136 0.0093 0.0233 113 ASP 36 CA -0.0224 0.0048 0.0195 114 ASP 36 C -0.0204 0.0008 0.0101 115 ASP 36 O -0.0253 -0.0034 0.0045 116 ASP 36 CB -0.0291 0.0054 0.0246 117 ASP 36 CG -0.0381 0.0008 0.0207 118 ASP 36 OD1 -0.0441 -0.0005 0.0215 119 ASP 36 OD2 -0.0394 -0.0016 0.0166 120 ASP 36 H -0.0106 0.0111 0.0251 121 ASP 36 HA -0.0256 0.0040 0.0197 122 ASP 36 HB2 -0.0307 0.0082 0.0311 123 ASP 36 HB3 -0.0256 0.0065 0.0248 124 LEU 37 N -0.0105 0.0091 0.0098 125 LEU 37 CA -0.0091 0.0078 0.0048 126 LEU 37 C -0.0071 0.0068 0.0056 127 LEU 37 O -0.0042 0.0057 0.0094 128 LEU 37 CB -0.0054 0.0055 0.0021 129 LEU 37 CG -0.0073 0.0062 -0.0006 130 LEU 37 CD1 -0.0112 0.0078 -0.0049 131 LEU 37 CD2 -0.0091 0.0076 0.0035 132 LEU 37 H -0.0082 0.0081 0.0122 133 LEU 37 HA -0.0123 0.0091 0.0022 134 LEU 37 HB2 -0.0027 0.0045 0.0052 135 LEU 37 HB3 -0.0037 0.0043 -0.0009 136 LEU 37 HG -0.0043 0.0045 -0.0026 137 LEU 37 HD11 -0.0124 0.0082 -0.0068 138 LEU 37 HD12 -0.0142 0.0095 -0.0032 139 LEU 37 HD13 -0.0097 0.0067 -0.0080 140 LEU 37 HD21 -0.0104 0.0081 0.0014 141 LEU 37 HD22 -0.0062 0.0064 0.0064 142 LEU 37 HD23 -0.0120 0.0094 0.0056 143 PRO 38 N -0.0093 0.0058 0.0066 144 PRO 38 CA -0.0066 0.0045 0.0068 145 PRO 38 C -0.0020 0.0018 0.0063 146 PRO 38 O -0.0013 0.0001 0.0033 147 PRO 38 CB -0.0089 0.0038 0.0027 148 PRO 38 CG -0.0134 0.0058 0.0016 149 PRO 38 CD -0.0132 0.0062 0.0029 150 PRO 38 HA -0.0065 0.0058 0.0099 151 PRO 38 HB2 -0.0072 0.0017 -0.0001 152 PRO 38 HB3 -0.0088 0.0042 0.0036 153 PRO 38 HG2 -0.0147 0.0049 -0.0019 154 PRO 38 HG3 -0.0154 0.0077 0.0036 155 PRO 38 HD2 -0.0127 0.0047 0.0001 156 PRO 38 HD3 -0.0161 0.0083 0.0041 157 GLY 39 N 0.0018 0.0020 0.0079 158 GLY 39 CA 0.0050 0.0001 0.0078 159 GLY 39 C 0.0062 -0.0002 0.0090 160 GLY 39 O 0.0086 -0.0018 0.0081 161 GLY 39 H 0.0010 0.0030 0.0097 162 GLY 39 HA2 0.0063 -0.0001 0.0094 163 GLY 39 HA3 0.0055 -0.0010 0.0052 164 GLY 40 N 0.0072 -0.0002 0.0088 165 GLY 40 CA 0.0076 0.0006 0.0103 166 GLY 40 C 0.0064 -0.0003 0.0080 167 GLY 40 O 0.0068 0.0000 0.0088 168 GLY 40 H 0.0055 0.0008 0.0092 169 GLY 40 HA2 0.0061 0.0023 0.0122 170 GLY 40 HA3 0.0102 -0.0000 0.0114 171 GLY 41 N 0.0028 -0.0010 0.0056 172 GLY 41 CA 0.0018 -0.0022 0.0023 173 GLY 41 C 0.0037 -0.0055 0.0015 174 GLY 41 O 0.0032 -0.0068 -0.0010 175 GLY 41 H 0.0028 -0.0004 0.0061 176 GLY 41 HA2 0.0007 -0.0018 0.0009 177 GLY 41 HA3 0.0007 -0.0010 0.0019 178 LEU 42 N 0.0067 -0.0062 0.0059 179 LEU 42 CA 0.0087 -0.0094 0.0057 180 LEU 42 C 0.0095 -0.0122 0.0043 181 LEU 42 O 0.0110 -0.0151 0.0036 182 LEU 42 CB 0.0113 -0.0092 0.0089 183 LEU 42 CG 0.0109 -0.0065 0.0107 184 LEU 42 CD1 0.0136 -0.0065 0.0139 185 LEU 42 CD2 0.0097 -0.0069 0.0089 186 LEU 42 H 0.0074 -0.0050 0.0078 187 LEU 42 HA 0.0079 -0.0099 0.0043 188 LEU 42 HB2 0.0121 -0.0087 0.0103 189 LEU 42 HB3 0.0128 -0.0116 0.0087 190 LEU 42 HG 0.0095 -0.0041 0.0110 191 LEU 42 HD11 0.0133 -0.0046 0.0151 192 LEU 42 HD12 0.0151 -0.0089 0.0137 193 LEU 42 HD13 0.0144 -0.0060 0.0152 194 LEU 42 HD21 0.0111 -0.0093 0.0085 195 LEU 42 HD22 0.0095 -0.0050 0.0102 196 LEU 42 HD23 0.0077 -0.0067 0.0067 197 HIS 43 N 0.0026 -0.0025 0.0028 198 HIS 43 CA 0.0030 -0.0037 0.0016 199 HIS 43 C 0.0014 -0.0037 0.0003 200 HIS 43 O 0.0004 -0.0030 0.0004 201 HIS 43 CB 0.0038 -0.0037 0.0022 202 HIS 43 CG 0.0054 -0.0035 0.0037 203 HIS 43 ND1 0.0070 -0.0046 0.0037 204 HIS 43 CD2 0.0056 -0.0024 0.0053 205 HIS 43 CE1 0.0081 -0.0041 0.0051 206 HIS 43 NE2 0.0073 -0.0028 0.0061 207 HIS 43 H 0.0017 -0.0016 0.0032 208 HIS 43 HA 0.0039 -0.0046 0.0011 209 HIS 43 HB2 0.0029 -0.0029 0.0025 210 HIS 43 HB3 0.0042 -0.0047 0.0013 211 HIS 43 HD1 0.0073 -0.0055 0.0027 212 HIS 43 HD2 0.0045 -0.0013 0.0057 213 HIS 43 HE1 0.0095 -0.0047 0.0054 214 HIS 43 HE2 0.0077 -0.0022 0.0073 215 ARG 44 N -0.0057 -0.0047 -0.0029 216 ARG 44 CA -0.0038 -0.0028 -0.0036 217 ARG 44 C -0.0040 -0.0020 -0.0026 218 ARG 44 O -0.0053 -0.0035 -0.0023 219 ARG 44 CB -0.0023 -0.0037 -0.0062 220 ARG 44 CG -0.0022 -0.0052 -0.0077 221 ARG 44 CD -0.0009 -0.0062 -0.0102 222 ARG 44 NE -0.0008 -0.0078 -0.0117 223 ARG 44 CZ 0.0005 -0.0086 -0.0140 224 ARG 44 NH1 0.0017 -0.0081 -0.0151 225 ARG 44 NH2 0.0005 -0.0100 -0.0153 226 ARG 44 H -0.0065 -0.0062 -0.0032 227 ARG 44 HA -0.0031 -0.0012 -0.0032 228 ARG 44 HB2 -0.0028 -0.0047 -0.0066 229 ARG 44 HB3 -0.0009 -0.0021 -0.0067 230 ARG 44 HG2 -0.0016 -0.0040 -0.0074 231 ARG 44 HG3 -0.0037 -0.0066 -0.0070 232 ARG 44 HD2 -0.0015 -0.0072 -0.0103 233 ARG 44 HD3 0.0006 -0.0046 -0.0107 234 ARG 44 HE -0.0017 -0.0082 -0.0109 235 ARG 44 HH11 0.0017 -0.0070 -0.0142 236 ARG 44 HH12 0.0026 -0.0087 -0.0168 237 ARG 44 HH21 -0.0003 -0.0105 -0.0146 238 ARG 44 HH22 0.0015 -0.0107 -0.0170 239 CYS 45 N -0.0029 -0.0013 0.0002 240 CYS 45 CA -0.0036 -0.0017 0.0015 241 CYS 45 C -0.0041 -0.0017 0.0019 242 CYS 45 O -0.0033 -0.0021 0.0019 243 CYS 45 CB -0.0026 -0.0027 0.0024 244 CYS 45 SG -0.0034 -0.0034 0.0041 245 CYS 45 H -0.0020 -0.0015 -0.0001 246 CYS 45 HA -0.0045 -0.0014 0.0015 247 CYS 45 HB2 -0.0024 -0.0026 0.0021 248 CYS 45 HB3 -0.0017 -0.0030 0.0022 249 LEU 46 N -0.0050 0.0046 0.0035 250 LEU 46 CA -0.0070 0.0043 0.0141 251 LEU 46 C -0.0093 -0.0029 0.0176 252 LEU 46 O -0.0118 -0.0081 0.0244 253 LEU 46 CB -0.0055 0.0144 0.0185 254 LEU 46 CG -0.0033 0.0221 0.0160 255 LEU 46 CD1 -0.0018 0.0319 0.0200 256 LEU 46 CD2 -0.0046 0.0194 0.0195 257 LEU 46 H -0.0031 0.0105 0.0005 258 LEU 46 HA -0.0080 0.0020 0.0163 259 LEU 46 HB2 -0.0046 0.0167 0.0161 260 LEU 46 HB3 -0.0071 0.0140 0.0263 261 LEU 46 HG -0.0018 0.0221 0.0081 262 LEU 46 HD11 -0.0007 0.0339 0.0168 263 LEU 46 HD12 -0.0003 0.0372 0.0184 264 LEU 46 HD13 -0.0033 0.0316 0.0278 265 LEU 46 HD21 -0.0054 0.0128 0.0160 266 LEU 46 HD22 -0.0062 0.0187 0.0273 267 LEU 46 HD23 -0.0029 0.0251 0.0178 268 ALA 47 N -0.0064 0.0015 0.0102 269 ALA 47 CA -0.0078 -0.0000 0.0093 270 ALA 47 C -0.0094 -0.0012 0.0091 271 ALA 47 O -0.0109 -0.0024 0.0089 272 ALA 47 CB -0.0067 -0.0006 0.0072 273 ALA 47 H -0.0050 0.0019 0.0094 274 ALA 47 HA -0.0084 0.0001 0.0102 275 ALA 47 HB1 -0.0077 -0.0017 0.0066 276 ALA 47 HB2 -0.0060 -0.0008 0.0063 277 ALA 47 HB3 -0.0055 0.0002 0.0073 278 CYS 48 N -0.0053 -0.0021 0.0017 279 CYS 48 CA -0.0038 -0.0009 0.0018 280 CYS 48 C -0.0036 0.0008 0.0004 281 CYS 48 O -0.0026 0.0019 0.0002 282 CYS 48 CB -0.0022 -0.0010 0.0033 283 CYS 48 SG -0.0022 -0.0028 0.0050 284 CYS 48 H -0.0055 -0.0022 0.0017 285 CYS 48 HA -0.0040 -0.0011 0.0019 286 CYS 48 HB2 -0.0020 -0.0011 0.0036 287 CYS 48 HB3 -0.0011 -0.0001 0.0034 288 ALA 49 N -0.0010 0.0020 0.0040 289 ALA 49 CA -0.0000 0.0015 0.0004 290 ALA 49 C 0.0014 0.0016 -0.0005 291 ALA 49 O 0.0033 0.0015 -0.0029 292 ALA 49 CB 0.0024 0.0018 -0.0004 293 ALA 49 H -0.0033 0.0017 0.0045 294 ALA 49 HA -0.0022 0.0009 -0.0009 295 ALA 49 HB1 0.0047 0.0025 0.0009 296 ALA 49 HB2 0.0014 0.0017 0.0002 297 ALA 49 HB3 0.0030 0.0014 -0.0031 298 ARG 50 N 0.0042 -0.0011 -0.0050 299 ARG 50 CA -0.0004 -0.0010 -0.0022 300 ARG 50 C -0.0054 -0.0068 -0.0005 301 ARG 50 O -0.0071 -0.0086 0.0001 302 ARG 50 CB -0.0031 0.0060 0.0010 303 ARG 50 CG 0.0016 0.0123 -0.0004 304 ARG 50 CD -0.0014 0.0190 0.0030 305 ARG 50 NE 0.0030 0.0251 0.0017 306 ARG 50 CZ 0.0017 0.0318 0.0040 307 ARG 50 NH1 -0.0040 0.0331 0.0078 308 ARG 50 NH2 0.0060 0.0370 0.0026 309 ARG 50 H 0.0033 0.0003 -0.0041 310 ARG 50 HA 0.0018 -0.0018 -0.0037 311 ARG 50 HB2 -0.0051 0.0069 0.0025 312 ARG 50 HB3 -0.0066 0.0057 0.0031 313 ARG 50 HG2 0.0036 0.0115 -0.0017 314 ARG 50 HG3 0.0051 0.0127 -0.0024 315 ARG 50 HD2 -0.0035 0.0197 0.0044 316 ARG 50 HD3 -0.0049 0.0185 0.0050 317 ARG 50 HE 0.0072 0.0241 -0.0010 318 ARG 50 HH11 -0.0074 0.0293 0.0090 319 ARG 50 HH12 -0.0052 0.0379 0.0096 320 ARG 50 HH21 0.0104 0.0362 -0.0002 321 ARG 50 HH22 0.0051 0.0419 0.0043 322 TYR 51 N -0.0030 0.0022 -0.0065 323 TYR 51 CA -0.0025 0.0006 -0.0039 324 TYR 51 C -0.0024 0.0014 -0.0003 325 TYR 51 O -0.0029 0.0045 0.0006 326 TYR 51 CB -0.0028 0.0020 -0.0041 327 TYR 51 CG -0.0030 0.0016 -0.0078 328 TYR 51 CD1 -0.0036 0.0042 -0.0103 329 TYR 51 CD2 -0.0025 -0.0014 -0.0086 330 TYR 51 CE1 -0.0037 0.0038 -0.0136 331 TYR 51 CE2 -0.0027 -0.0017 -0.0119 332 TYR 51 CZ -0.0033 0.0008 -0.0144 333 TYR 51 OH -0.0034 0.0005 -0.0178 334 TYR 51 H -0.0034 0.0047 -0.0066 335 TYR 51 HA -0.0021 -0.0022 -0.0043 336 TYR 51 HB2 -0.0032 0.0048 -0.0035 337 TYR 51 HB3 -0.0025 0.0008 -0.0022 338 TYR 51 HD1 -0.0039 0.0065 -0.0097 339 TYR 51 HD2 -0.0021 -0.0034 -0.0067 340 TYR 51 HE1 -0.0042 0.0058 -0.0156 341 TYR 51 HE2 -0.0024 -0.0041 -0.0126 342 TYR 51 HH -0.0039 0.0027 -0.0183 343 PHE 52 N -0.0005 -0.0027 0.0019 344 PHE 52 CA -0.0000 -0.0027 0.0023 345 PHE 52 C -0.0001 -0.0025 0.0016 346 PHE 52 O -0.0009 -0.0025 0.0010 347 PHE 52 CB -0.0005 -0.0031 0.0033 348 PHE 52 CG -0.0005 -0.0033 0.0041 349 PHE 52 CD1 -0.0011 -0.0034 0.0041 350 PHE 52 CD2 0.0003 -0.0034 0.0049 351 PHE 52 CE1 -0.0011 -0.0037 0.0048 352 PHE 52 CE2 0.0004 -0.0036 0.0056 353 PHE 52 CZ -0.0003 -0.0038 0.0055 354 PHE 52 H -0.0012 -0.0028 0.0017 355 PHE 52 HA 0.0008 -0.0026 0.0025 356 PHE 52 HB2 -0.0014 -0.0032 0.0031 357 PHE 52 HB3 -0.0002 -0.0031 0.0036 358 PHE 52 HD1 -0.0017 -0.0034 0.0035 359 PHE 52 HD2 0.0008 -0.0034 0.0049 360 PHE 52 HE1 -0.0016 -0.0037 0.0047 361 PHE 52 HE2 0.0010 -0.0037 0.0062 362 PHE 52 HZ -0.0003 -0.0039 0.0061 363 ILE 53 N 0.0015 -0.0045 0.0017 364 ILE 53 CA 0.0041 -0.0012 0.0010 365 ILE 53 C 0.0065 0.0007 0.0002 366 ILE 53 O 0.0077 0.0044 0.0003 367 ILE 53 CB 0.0067 -0.0027 -0.0006 368 ILE 53 CG1 0.0087 -0.0064 -0.0024 369 ILE 53 CG2 0.0044 -0.0038 0.0004 370 ILE 53 CD1 0.0114 -0.0080 -0.0041 371 ILE 53 H 0.0017 -0.0073 0.0011 372 ILE 53 HA 0.0026 0.0011 0.0023 373 ILE 53 HB 0.0087 -0.0002 -0.0011 374 ILE 53 HG12 0.0067 -0.0089 -0.0018 375 ILE 53 HG13 0.0103 -0.0055 -0.0030 376 ILE 53 HG21 0.0023 -0.0062 0.0010 377 ILE 53 HG22 0.0032 -0.0011 0.0015 378 ILE 53 HG23 0.0063 -0.0049 -0.0008 379 ILE 53 HD11 0.0135 -0.0056 -0.0047 380 ILE 53 HD12 0.0127 -0.0106 -0.0052 381 ILE 53 HD13 0.0099 -0.0089 -0.0035 382 ASP 54 N 0.0045 -0.0034 0.0005 383 ASP 54 CA 0.0053 -0.0014 -0.0006 384 ASP 54 C 0.0046 -0.0017 0.0004 385 ASP 54 O 0.0039 -0.0039 0.0012 386 ASP 54 CB 0.0073 -0.0020 -0.0031 387 ASP 54 CG 0.0083 0.0000 -0.0043 388 ASP 54 OD1 0.0088 0.0023 -0.0048 389 ASP 54 OD2 0.0087 -0.0006 -0.0048 390 ASP 54 H 0.0040 -0.0051 0.0010 391 ASP 54 HA 0.0052 0.0007 -0.0003 392 ASP 54 HB2 0.0078 -0.0019 -0.0037 393 ASP 54 HB3 0.0075 -0.0041 -0.0034 394 SER 55 N 0.0032 -0.0009 -0.0009 395 SER 55 CA 0.0026 -0.0002 0.0003 396 SER 55 C 0.0031 -0.0014 -0.0003 397 SER 55 O 0.0027 -0.0019 0.0010 398 SER 55 CB 0.0022 0.0023 -0.0001 399 SER 55 OG 0.0016 0.0032 0.0009 400 SER 55 H 0.0033 0.0002 -0.0019 401 SER 55 HA 0.0020 -0.0006 0.0019 402 SER 55 HB2 0.0018 0.0031 0.0005 403 SER 55 HB3 0.0027 0.0028 -0.0018 404 SER 55 HG 0.0020 0.0031 -0.0001 405 THR 56 N 0.0041 0.0004 -0.0029 406 THR 56 CA 0.0051 -0.0018 -0.0044 407 THR 56 C 0.0050 -0.0060 -0.0023 408 THR 56 O 0.0048 -0.0075 -0.0013 409 THR 56 CB 0.0070 -0.0022 -0.0085 410 THR 56 OG1 0.0070 0.0017 -0.0104 411 THR 56 CG2 0.0080 -0.0040 -0.0102 412 THR 56 H 0.0047 0.0012 -0.0046 413 THR 56 HA 0.0046 -0.0002 -0.0039 414 THR 56 HB 0.0074 -0.0041 -0.0089 415 THR 56 HG1 0.0068 0.0023 -0.0100 416 THR 56 HG21 0.0093 -0.0043 -0.0132 417 THR 56 HG22 0.0075 -0.0022 -0.0098 418 THR 56 HG23 0.0079 -0.0070 -0.0089 419 ASN 57 N 0.0050 -0.0048 -0.0029 420 ASN 57 CA 0.0050 -0.0080 -0.0012 421 ASN 57 C 0.0029 -0.0081 0.0021 422 ASN 57 O 0.0027 -0.0106 0.0036 423 ASN 57 CB 0.0055 -0.0088 -0.0017 424 ASN 57 CG 0.0078 -0.0104 -0.0045 425 ASN 57 OD1 0.0087 -0.0134 -0.0045 426 ASN 57 ND2 0.0087 -0.0083 -0.0070 427 ASN 57 H 0.0051 -0.0034 -0.0037 428 ASN 57 HA 0.0060 -0.0099 -0.0020 429 ASN 57 HB2 0.0050 -0.0065 -0.0019 430 ASN 57 HB3 0.0048 -0.0105 0.0002 431 ASN 57 HD21 0.0080 -0.0058 -0.0070 432 ASN 57 HD22 0.0101 -0.0093 -0.0088 433 LEU 58 N 0.0015 -0.0052 0.0038 434 LEU 58 CA 0.0006 -0.0052 0.0044 435 LEU 58 C 0.0004 -0.0056 0.0048 436 LEU 58 O 0.0001 -0.0063 0.0054 437 LEU 58 CB 0.0000 -0.0043 0.0044 438 LEU 58 CG -0.0009 -0.0041 0.0050 439 LEU 58 CD1 -0.0012 -0.0039 0.0051 440 LEU 58 CD2 -0.0012 -0.0049 0.0056 441 LEU 58 H 0.0016 -0.0046 0.0034 442 LEU 58 HA 0.0006 -0.0057 0.0047 443 LEU 58 HB2 0.0001 -0.0041 0.0042 444 LEU 58 HB3 0.0002 -0.0038 0.0040 445 LEU 58 HG -0.0013 -0.0035 0.0049 446 LEU 58 HD11 -0.0019 -0.0038 0.0055 447 LEU 58 HD12 -0.0009 -0.0045 0.0052 448 LEU 58 HD13 -0.0010 -0.0033 0.0047 449 LEU 58 HD21 -0.0009 -0.0055 0.0057 450 LEU 58 HD22 -0.0019 -0.0047 0.0061 451 LEU 58 HD23 -0.0010 -0.0050 0.0055 452 LYS 59 N -0.0003 -0.0049 0.0035 453 LYS 59 CA -0.0007 -0.0044 0.0039 454 LYS 59 C -0.0002 -0.0055 0.0040 455 LYS 59 O -0.0004 -0.0055 0.0049 456 LYS 59 CB -0.0011 -0.0032 0.0030 457 LYS 59 CG -0.0007 -0.0034 0.0015 458 LYS 59 CD -0.0012 -0.0022 0.0007 459 LYS 59 CE -0.0016 -0.0016 0.0011 460 LYS 59 NZ -0.0011 -0.0024 0.0009 461 LYS 59 H -0.0003 -0.0046 0.0026 462 LYS 59 HA -0.0011 -0.0042 0.0050 463 LYS 59 HB2 -0.0014 -0.0029 0.0034 464 LYS 59 HB3 -0.0015 -0.0025 0.0030 465 LYS 59 HG2 -0.0004 -0.0038 0.0011 466 LYS 59 HG3 -0.0003 -0.0040 0.0014 467 LYS 59 HD2 -0.0016 -0.0015 0.0008 468 LYS 59 HD3 -0.0008 -0.0023 -0.0004 469 LYS 59 HE2 -0.0019 -0.0015 0.0022 470 LYS 59 HE3 -0.0019 -0.0007 0.0005 471 LYS 59 HZ1 -0.0008 -0.0024 -0.0002 472 LYS 59 HZ2 -0.0014 -0.0020 0.0012 473 LYS 59 HZ3 -0.0007 -0.0033 0.0014 474 THR 60 N 0.0011 -0.0050 0.0016 475 THR 60 CA 0.0014 -0.0064 0.0012 476 THR 60 C 0.0013 -0.0076 0.0028 477 THR 60 O 0.0013 -0.0083 0.0031 478 THR 60 CB 0.0018 -0.0075 -0.0003 479 THR 60 OG1 0.0019 -0.0064 -0.0018 480 THR 60 CG2 0.0021 -0.0090 -0.0008 481 THR 60 H 0.0012 -0.0049 0.0011 482 THR 60 HA 0.0014 -0.0058 0.0008 483 THR 60 HB 0.0018 -0.0080 0.0001 484 THR 60 HG1 0.0017 -0.0056 -0.0016 485 THR 60 HG21 0.0024 -0.0097 -0.0019 486 THR 60 HG22 0.0021 -0.0084 -0.0012 487 THR 60 HG23 0.0020 -0.0098 0.0003 488 HIS 61 N -0.0003 -0.0054 0.0056 489 HIS 61 CA -0.0006 -0.0056 0.0057 490 HIS 61 C -0.0006 -0.0056 0.0057 491 HIS 61 O -0.0008 -0.0059 0.0057 492 HIS 61 CB -0.0007 -0.0054 0.0060 493 HIS 61 CG -0.0010 -0.0055 0.0062 494 HIS 61 ND1 -0.0013 -0.0058 0.0062 495 HIS 61 CD2 -0.0011 -0.0053 0.0064 496 HIS 61 CE1 -0.0015 -0.0058 0.0064 497 HIS 61 NE2 -0.0014 -0.0055 0.0065 498 HIS 61 H -0.0002 -0.0052 0.0057 499 HIS 61 HA -0.0006 -0.0058 0.0056 500 HIS 61 HB2 -0.0008 -0.0055 0.0060 501 HIS 61 HB3 -0.0006 -0.0052 0.0061 502 HIS 61 HD1 -0.0013 -0.0059 0.0061 503 HIS 61 HD2 -0.0010 -0.0051 0.0064 504 HIS 61 HE1 -0.0017 -0.0060 0.0064 505 PHE 62 N -0.0026 -0.0044 0.0024 506 PHE 62 CA -0.0022 -0.0043 0.0020 507 PHE 62 C -0.0021 -0.0043 0.0010 508 PHE 62 O -0.0017 -0.0042 0.0005 509 PHE 62 CB -0.0013 -0.0039 0.0024 510 PHE 62 CG -0.0012 -0.0038 0.0034 511 PHE 62 CD1 -0.0018 -0.0039 0.0040 512 PHE 62 CD2 -0.0007 -0.0035 0.0039 513 PHE 62 CE1 -0.0017 -0.0039 0.0049 514 PHE 62 CE2 -0.0006 -0.0034 0.0048 515 PHE 62 CZ -0.0012 -0.0036 0.0053 516 PHE 62 H -0.0022 -0.0042 0.0027 517 PHE 62 HA -0.0026 -0.0044 0.0022 518 PHE 62 HB2 -0.0008 -0.0037 0.0021 519 PHE 62 HB3 -0.0011 -0.0038 0.0022 520 PHE 62 HD1 -0.0022 -0.0042 0.0036 521 PHE 62 HD2 -0.0003 -0.0034 0.0035 522 PHE 62 HE1 -0.0022 -0.0040 0.0053 523 PHE 62 HE2 -0.0002 -0.0032 0.0051 524 PHE 62 HZ -0.0011 -0.0035 0.0061 525 ARG 63 N -0.0018 -0.0025 -0.0033 526 ARG 63 CA -0.0021 -0.0019 -0.0023 527 ARG 63 C -0.0019 -0.0001 -0.0035 528 ARG 63 O -0.0021 0.0007 -0.0028 529 ARG 63 CB -0.0028 -0.0014 -0.0000 530 ARG 63 CG -0.0030 -0.0033 0.0013 531 ARG 63 CD -0.0036 -0.0027 0.0036 532 ARG 63 NE -0.0039 -0.0019 0.0045 533 ARG 63 CZ -0.0045 -0.0015 0.0065 534 ARG 63 NH1 -0.0048 -0.0021 0.0079 535 ARG 63 NH2 -0.0047 -0.0006 0.0072 536 ARG 63 H -0.0020 -0.0020 -0.0027 537 ARG 63 HA -0.0020 -0.0033 -0.0024 538 ARG 63 HB2 -0.0029 -0.0001 0.0001 539 ARG 63 HB3 -0.0030 -0.0008 0.0006 540 ARG 63 HG2 -0.0029 -0.0046 0.0012 541 ARG 63 HG3 -0.0028 -0.0039 0.0007 542 ARG 63 HD2 -0.0038 -0.0042 0.0044 543 ARG 63 HD3 -0.0037 -0.0015 0.0036 544 ARG 63 HE -0.0037 -0.0015 0.0035 545 ARG 63 HH11 -0.0047 -0.0028 0.0075 546 ARG 63 HH12 -0.0053 -0.0019 0.0095 547 ARG 63 HH21 -0.0045 -0.0002 0.0062 548 ARG 63 HH22 -0.0052 -0.0003 0.0087 549 SER 64 N -0.0032 -0.0010 -0.0011 550 SER 64 CA -0.0028 -0.0003 -0.0014 551 SER 64 C -0.0017 0.0003 -0.0016 552 SER 64 O -0.0007 -0.0002 -0.0014 553 SER 64 CB -0.0023 -0.0010 -0.0011 554 SER 64 OG -0.0032 -0.0018 -0.0008 555 SER 64 H -0.0029 -0.0018 -0.0008 556 SER 64 HA -0.0034 0.0002 -0.0017 557 SER 64 HB2 -0.0015 -0.0014 -0.0009 558 SER 64 HB3 -0.0022 -0.0005 -0.0013 559 SER 64 HG -0.0039 -0.0015 -0.0010 560 LYS 65 N -0.0005 0.0025 -0.0004 561 LYS 65 CA -0.0032 0.0013 0.0007 562 LYS 65 C -0.0012 0.0019 -0.0015 563 LYS 65 O -0.0035 0.0002 -0.0029 564 LYS 65 CB -0.0048 0.0017 0.0061 565 LYS 65 CG -0.0014 0.0045 0.0097 566 LYS 65 CD 0.0018 0.0062 0.0092 567 LYS 65 CE 0.0050 0.0089 0.0127 568 LYS 65 NZ 0.0084 0.0106 0.0122 569 LYS 65 H 0.0004 0.0037 0.0021 570 LYS 65 HA -0.0059 -0.0008 -0.0012 571 LYS 65 HB2 -0.0064 0.0009 0.0067 572 LYS 65 HB3 -0.0072 0.0006 0.0070 573 LYS 65 HG2 -0.0030 0.0044 0.0132 574 LYS 65 HG3 0.0003 0.0053 0.0091 575 LYS 65 HD2 0.0035 0.0062 0.0056 576 LYS 65 HD3 0.0001 0.0053 0.0098 577 LYS 65 HE2 0.0034 0.0088 0.0163 578 LYS 65 HE3 0.0065 0.0096 0.0122 579 LYS 65 HZ1 0.0070 0.0100 0.0126 580 LYS 65 HZ2 0.0101 0.0108 0.0088 581 LYS 65 HZ3 0.0105 0.0124 0.0147 582 ASP 66 N -0.0012 0.0050 -0.0002 583 ASP 66 CA -0.0027 0.0058 -0.0038 584 ASP 66 C -0.0023 0.0056 -0.0028 585 ASP 66 O -0.0021 0.0050 -0.0057 586 ASP 66 CB -0.0062 0.0090 -0.0048 587 ASP 66 CG -0.0077 0.0098 -0.0090 588 ASP 66 OD1 -0.0077 0.0091 -0.0124 589 ASP 66 OD2 -0.0090 0.0111 -0.0089 590 ASP 66 H -0.0025 0.0066 0.0016 591 ASP 66 HA -0.0015 0.0042 -0.0066 592 ASP 66 HB2 -0.0064 0.0092 -0.0049 593 ASP 66 HB3 -0.0074 0.0106 -0.0022 594 HIS 67 N -0.0027 0.0003 -0.0021 595 HIS 67 CA -0.0020 -0.0006 -0.0009 596 HIS 67 C -0.0004 -0.0005 -0.0008 597 HIS 67 O 0.0006 -0.0007 -0.0004 598 HIS 67 CB -0.0029 -0.0014 0.0000 599 HIS 67 CG -0.0024 -0.0023 0.0012 600 HIS 67 ND1 -0.0018 -0.0026 0.0016 601 HIS 67 CD2 -0.0029 -0.0031 0.0022 602 HIS 67 CE1 -0.0020 -0.0035 0.0027 603 HIS 67 NE2 -0.0027 -0.0038 0.0031 604 HIS 67 H -0.0036 0.0003 -0.0022 605 HIS 67 HA -0.0019 -0.0007 -0.0007 606 HIS 67 HB2 -0.0040 -0.0015 0.0000 607 HIS 67 HB3 -0.0029 -0.0013 -0.0001 608 HIS 67 HD1 -0.0014 -0.0022 0.0012 609 HIS 67 HD2 -0.0032 -0.0031 0.0021 610 HIS 67 HE1 -0.0017 -0.0039 0.0033 611 LYS 68 N 0.0008 -0.0014 -0.0006 612 LYS 68 CA 0.0018 -0.0009 -0.0004 613 LYS 68 C 0.0028 0.0000 -0.0007 614 LYS 68 O 0.0039 0.0003 -0.0003 615 LYS 68 CB 0.0013 -0.0006 -0.0010 616 LYS 68 CG 0.0003 -0.0016 -0.0008 617 LYS 68 CD -0.0002 -0.0012 -0.0014 618 LYS 68 CE -0.0008 -0.0003 -0.0025 619 LYS 68 NZ -0.0014 0.0001 -0.0031 620 LYS 68 H -0.0000 -0.0013 -0.0011 621 LYS 68 HA 0.0023 -0.0016 0.0003 622 LYS 68 HB2 0.0010 0.0001 -0.0017 623 LYS 68 HB3 0.0021 -0.0003 -0.0008 624 LYS 68 HG2 0.0005 -0.0023 -0.0000 625 LYS 68 HG3 -0.0005 -0.0019 -0.0010 626 LYS 68 HD2 0.0005 -0.0008 -0.0012 627 LYS 68 HD3 -0.0009 -0.0019 -0.0012 628 LYS 68 HE2 -0.0016 -0.0006 -0.0026 629 LYS 68 HE3 -0.0001 0.0004 -0.0027 630 LYS 68 HZ1 -0.0007 0.0004 -0.0030 631 LYS 68 HZ2 -0.0019 0.0007 -0.0038 632 LYS 68 HZ3 -0.0021 -0.0006 -0.0029 633 LYS 69 N 0.0061 0.0021 0.0052 634 LYS 69 CA 0.0060 0.0014 -0.0006 635 LYS 69 C 0.0035 0.0018 0.0015 636 LYS 69 O 0.0065 0.0014 -0.0004 637 LYS 69 CB 0.0010 0.0012 -0.0056 638 LYS 69 CG -0.0016 0.0007 -0.0112 639 LYS 69 CD -0.0070 0.0006 -0.0149 640 LYS 69 CE -0.0107 0.0002 -0.0206 641 LYS 69 NZ -0.0160 0.0002 -0.0235 642 LYS 69 H 0.0034 0.0023 0.0049 643 LYS 69 HA 0.0109 0.0008 -0.0029 644 LYS 69 HB2 0.0035 0.0007 -0.0080 645 LYS 69 HB3 -0.0032 0.0018 -0.0028 646 LYS 69 HG2 -0.0038 0.0011 -0.0087 647 LYS 69 HG3 0.0025 -0.0000 -0.0146 648 LYS 69 HD2 -0.0045 0.0002 -0.0172 649 LYS 69 HD3 -0.0107 0.0013 -0.0113 650 LYS 69 HE2 -0.0129 0.0006 -0.0185 651 LYS 69 HE3 -0.0071 -0.0005 -0.0245 652 LYS 69 HZ1 -0.0188 -0.0000 -0.0273 653 LYS 69 HZ2 -0.0194 0.0009 -0.0197 654 LYS 69 HZ3 -0.0139 -0.0002 -0.0254 655 ARG 70 N -0.0012 0.0035 0.0009 656 ARG 70 CA 0.0009 0.0026 0.0007 657 ARG 70 C 0.0009 0.0012 0.0001 658 ARG 70 O 0.0025 0.0010 0.0001 659 ARG 70 CB 0.0018 0.0015 0.0002 660 ARG 70 CG 0.0041 0.0008 0.0000 661 ARG 70 CD 0.0057 0.0025 0.0009 662 ARG 70 NE 0.0079 0.0018 0.0008 663 ARG 70 CZ 0.0094 0.0028 0.0013 664 ARG 70 NH1 0.0088 0.0044 0.0020 665 ARG 70 NH2 0.0114 0.0020 0.0011 666 ARG 70 H -0.0020 0.0030 0.0007 667 ARG 70 HA 0.0020 0.0039 0.0013 668 ARG 70 HB2 0.0015 0.0024 0.0006 669 ARG 70 HB3 0.0008 0.0002 -0.0004 670 ARG 70 HG2 0.0046 0.0000 -0.0003 671 ARG 70 HG3 0.0043 -0.0003 -0.0004 672 ARG 70 HD2 0.0052 0.0032 0.0012 673 ARG 70 HD3 0.0055 0.0035 0.0014 674 ARG 70 HE 0.0084 0.0006 0.0002 675 ARG 70 HH11 0.0073 0.0050 0.0022 676 ARG 70 HH12 0.0099 0.0051 0.0024 677 ARG 70 HH21 0.0119 0.0008 0.0005 678 ARG 70 HH22 0.0126 0.0027 0.0014 679 LEU 71 N 0.0008 0.0006 0.0004 680 LEU 71 CA 0.0011 0.0006 0.0006 681 LEU 71 C 0.0015 0.0006 0.0005 682 LEU 71 O 0.0018 0.0006 0.0006 683 LEU 71 CB 0.0011 0.0005 0.0008 684 LEU 71 CG 0.0008 0.0005 0.0010 685 LEU 71 CD1 0.0008 0.0004 0.0012 686 LEU 71 CD2 0.0006 0.0004 0.0013 687 LEU 71 H 0.0007 0.0007 0.0003 688 LEU 71 HA 0.0011 0.0005 0.0008 689 LEU 71 HB2 0.0012 0.0006 0.0006 690 LEU 71 HB3 0.0013 0.0004 0.0010 691 LEU 71 HG 0.0005 0.0005 0.0008 692 LEU 71 HD11 0.0010 0.0003 0.0014 693 LEU 71 HD12 0.0009 0.0004 0.0011 694 LEU 71 HD13 0.0005 0.0004 0.0014 695 LEU 71 HD21 0.0006 0.0004 0.0011 696 LEU 71 HD22 0.0008 0.0003 0.0015 697 LEU 71 HD23 0.0004 0.0003 0.0014 698 LYS 72 N 0.0025 0.0021 -0.0008 699 LYS 72 CA -0.0010 -0.0005 0.0005 700 LYS 72 C -0.0034 -0.0012 0.0002 701 LYS 72 O -0.0072 -0.0020 -0.0007 702 LYS 72 CB 0.0004 -0.0031 0.0042 703 LYS 72 CG -0.0030 -0.0061 0.0059 704 LYS 72 CD -0.0014 -0.0085 0.0094 705 LYS 72 CE -0.0047 -0.0114 0.0111 706 LYS 72 NZ -0.0032 -0.0137 0.0145 707 LYS 72 H 0.0052 0.0020 0.0006 708 LYS 72 HA -0.0029 -0.0001 -0.0008 709 LYS 72 HB2 0.0021 -0.0026 0.0044 710 LYS 72 HB3 0.0024 -0.0035 0.0055 711 LYS 72 HG2 -0.0046 -0.0067 0.0059 712 LYS 72 HG3 -0.0051 -0.0057 0.0045 713 LYS 72 HD2 0.0003 -0.0078 0.0094 714 LYS 72 HD3 0.0007 -0.0088 0.0108 715 LYS 72 HE2 -0.0063 -0.0121 0.0112 716 LYS 72 HE3 -0.0069 -0.0110 0.0097 717 LYS 72 HZ1 -0.0012 -0.0141 0.0160 718 LYS 72 HZ2 -0.0017 -0.0131 0.0145 719 LYS 72 HZ3 -0.0056 -0.0157 0.0156 720 GLN 73 N -0.0015 0.0015 0.0012 721 GLN 73 CA -0.0002 0.0020 0.0009 722 GLN 73 C 0.0002 0.0013 -0.0017 723 GLN 73 O 0.0001 0.0011 -0.0023 724 GLN 73 CB 0.0020 0.0034 0.0019 725 GLN 73 CG 0.0017 0.0041 0.0045 726 GLN 73 CD 0.0039 0.0055 0.0054 727 GLN 73 OE1 0.0056 0.0058 0.0042 728 GLN 73 NE2 0.0040 0.0062 0.0076 729 GLN 73 H -0.0008 0.0020 0.0017 730 GLN 73 HA -0.0012 0.0019 0.0018 731 GLN 73 HB2 0.0029 0.0035 0.0010 732 GLN 73 HB3 0.0029 0.0037 0.0016 733 GLN 73 HG2 0.0008 0.0040 0.0054 734 GLN 73 HG3 0.0007 0.0038 0.0048 735 GLN 73 HE21 0.0026 0.0059 0.0085 736 GLN 73 HE22 0.0054 0.0071 0.0083 737 LEU 74 N -0.0016 0.0015 -0.0012 738 LEU 74 CA -0.0019 0.0022 -0.0040 739 LEU 74 C -0.0039 0.0007 -0.0052 740 LEU 74 O -0.0045 0.0009 -0.0076 741 LEU 74 CB -0.0001 0.0042 -0.0045 742 LEU 74 CG -0.0000 0.0053 -0.0074 743 LEU 74 CD1 -0.0001 0.0057 -0.0088 744 LEU 74 CD2 0.0018 0.0072 -0.0075 745 LEU 74 H -0.0007 0.0019 0.0001 746 LEU 74 HA -0.0020 0.0025 -0.0049 747 LEU 74 HB2 0.0012 0.0051 -0.0034 748 LEU 74 HB3 -0.0002 0.0038 -0.0036 749 LEU 74 HG -0.0013 0.0044 -0.0084 750 LEU 74 HD11 0.0000 0.0065 -0.0108 751 LEU 74 HD12 0.0012 0.0066 -0.0078 752 LEU 74 HD13 -0.0014 0.0044 -0.0088 753 LEU 74 HD21 0.0031 0.0081 -0.0065 754 LEU 74 HD22 0.0019 0.0079 -0.0096 755 LEU 74 HD23 0.0018 0.0068 -0.0066 756 SER 75 N -0.0052 0.0012 -0.0019 757 SER 75 CA -0.0073 0.0006 -0.0028 758 SER 75 C -0.0054 0.0049 -0.0040 759 SER 75 O -0.0075 0.0058 -0.0056 760 SER 75 CB -0.0127 -0.0006 -0.0050 761 SER 75 OG -0.0149 -0.0015 -0.0057 762 SER 75 H -0.0028 -0.0004 0.0003 763 SER 75 HA -0.0062 -0.0022 -0.0006 764 SER 75 HB2 -0.0139 -0.0037 -0.0040 765 SER 75 HB3 -0.0139 0.0023 -0.0072 766 SER 75 HG -0.0173 -0.0042 -0.0056 767 VAL 76 N -0.0008 0.0021 0.0001 768 VAL 76 CA -0.0005 0.0030 0.0011 769 VAL 76 C 0.0008 0.0026 0.0016 770 VAL 76 O 0.0012 0.0029 0.0021 771 VAL 76 CB -0.0007 0.0036 0.0015 772 VAL 76 CG1 -0.0003 0.0045 0.0025 773 VAL 76 CG2 -0.0020 0.0039 0.0010 774 VAL 76 H -0.0011 0.0019 -0.0002 775 VAL 76 HA -0.0009 0.0035 0.0013 776 VAL 76 HB -0.0002 0.0030 0.0013 777 VAL 76 HG11 -0.0004 0.0049 0.0028 778 VAL 76 HG12 -0.0007 0.0050 0.0027 779 VAL 76 HG13 0.0007 0.0042 0.0028 780 VAL 76 HG21 -0.0021 0.0043 0.0013 781 VAL 76 HG22 -0.0023 0.0033 0.0003 782 VAL 76 HG23 -0.0024 0.0044 0.0012 783 GLU 77 N 0.0014 0.0015 0.0027 784 GLU 77 CA 0.0025 0.0016 0.0025 785 GLU 77 C 0.0029 0.0009 0.0018 786 GLU 77 O 0.0030 0.0003 0.0013 787 GLU 77 CB 0.0030 0.0020 0.0028 788 GLU 77 CG 0.0027 0.0016 0.0025 789 GLU 77 CD 0.0033 0.0020 0.0027 790 GLU 77 OE1 0.0031 0.0026 0.0033 791 GLU 77 OE2 0.0040 0.0017 0.0022 792 GLU 77 H 0.0011 0.0010 0.0023 793 GLU 77 HA 0.0026 0.0020 0.0029 794 GLU 77 HB2 0.0039 0.0020 0.0026 795 GLU 77 HB3 0.0029 0.0026 0.0034 796 GLU 77 HG2 0.0019 0.0016 0.0027 797 GLU 77 HG3 0.0029 0.0010 0.0019 798 PRO 78 N 0.0010 0.0023 0.0027 799 PRO 78 CA 0.0006 0.0015 0.0038 800 PRO 78 C 0.0013 0.0019 0.0029 801 PRO 78 O 0.0008 0.0032 0.0019 802 PRO 78 CB -0.0014 0.0020 0.0045 803 PRO 78 CG -0.0020 0.0027 0.0042 804 PRO 78 CD -0.0007 0.0033 0.0027 805 PRO 78 HA 0.0012 0.0004 0.0046 806 PRO 78 HB2 -0.0019 0.0028 0.0040 807 PRO 78 HB3 -0.0018 0.0011 0.0057 808 PRO 78 HG2 -0.0033 0.0035 0.0041 809 PRO 78 HG3 -0.0020 0.0019 0.0050 810 PRO 78 HD2 -0.0010 0.0043 0.0018 811 PRO 78 HD3 -0.0006 0.0033 0.0026 812 TYR 79 N 0.0028 0.0014 0.0051 813 TYR 79 CA 0.0021 0.0028 -0.0003 814 TYR 79 C 0.0042 0.0003 -0.0062 815 TYR 79 O 0.0030 0.0022 -0.0096 816 TYR 79 CB -0.0019 0.0087 -0.0013 817 TYR 79 CG -0.0039 0.0112 0.0041 818 TYR 79 CD1 -0.0054 0.0130 0.0092 819 TYR 79 CD2 -0.0043 0.0117 0.0042 820 TYR 79 CE1 -0.0072 0.0152 0.0141 821 TYR 79 CE2 -0.0061 0.0139 0.0092 822 TYR 79 CZ -0.0075 0.0156 0.0141 823 TYR 79 OH -0.0093 0.0179 0.0192 824 TYR 79 H 0.0043 -0.0009 0.0083 825 TYR 79 HA 0.0033 0.0011 0.0007 826 TYR 79 HB2 -0.0031 0.0105 -0.0019 827 TYR 79 HB3 -0.0022 0.0094 -0.0054 828 TYR 79 HD1 -0.0052 0.0126 0.0092 829 TYR 79 HD2 -0.0031 0.0103 0.0004 830 TYR 79 HE1 -0.0083 0.0166 0.0180 831 TYR 79 HE2 -0.0063 0.0143 0.0092 832 TYR 79 HH -0.0077 0.0155 0.0202 833 SER 80 N 0.0065 0.0003 -0.0028 834 SER 80 CA 0.0059 -0.0004 -0.0026 835 SER 80 C 0.0059 -0.0003 -0.0038 836 SER 80 O 0.0066 0.0004 -0.0047 837 SER 80 CB 0.0048 -0.0014 -0.0024 838 SER 80 OG 0.0041 -0.0021 -0.0021 839 SER 80 H 0.0063 0.0001 -0.0034 840 SER 80 HA 0.0061 -0.0002 -0.0017 841 SER 80 HB2 0.0048 -0.0014 -0.0016 842 SER 80 HB3 0.0046 -0.0016 -0.0034 843 SER 80 HG 0.0042 -0.0020 -0.0011 844 GLN 81 N 0.0034 -0.0018 -0.0042 845 GLN 81 CA 0.0017 -0.0017 -0.0037 846 GLN 81 C 0.0009 0.0001 -0.0047 847 GLN 81 O 0.0012 0.0012 -0.0056 848 GLN 81 CB 0.0002 -0.0024 -0.0027 849 GLN 81 CG -0.0015 -0.0026 -0.0020 850 GLN 81 CD -0.0031 -0.0031 -0.0010 851 GLN 81 OE1 -0.0035 -0.0027 -0.0012 852 GLN 81 NE2 -0.0041 -0.0040 -0.0001 853 GLN 81 H 0.0034 -0.0020 -0.0040 854 GLN 81 HA 0.0021 -0.0024 -0.0033 855 GLN 81 HB2 0.0008 -0.0036 -0.0020 856 GLN 81 HB3 -0.0004 -0.0016 -0.0031 857 GLN 81 HG2 -0.0021 -0.0014 -0.0026 858 GLN 81 HG3 -0.0010 -0.0034 -0.0015 859 GLN 81 HE21 -0.0038 -0.0042 -0.0000 860 GLN 81 HE22 -0.0052 -0.0043 0.0006 861 GLU 82 N -0.0012 0.0006 -0.0068 862 GLU 82 CA -0.0021 0.0026 -0.0071 863 GLU 82 C -0.0004 0.0027 -0.0085 864 GLU 82 O -0.0008 0.0041 -0.0089 865 GLU 82 CB -0.0030 0.0051 -0.0075 866 GLU 82 CG -0.0040 0.0073 -0.0078 867 GLU 82 CD -0.0050 0.0095 -0.0082 868 GLU 82 OE1 -0.0038 0.0106 -0.0097 869 GLU 82 OE2 -0.0069 0.0102 -0.0069 870 GLU 82 H -0.0016 -0.0009 -0.0056 871 GLU 82 HA -0.0033 0.0021 -0.0057 872 GLU 82 HB2 -0.0042 0.0049 -0.0064 873 GLU 82 HB3 -0.0018 0.0055 -0.0088 874 GLU 82 HG2 -0.0029 0.0076 -0.0090 875 GLU 82 HG3 -0.0052 0.0069 -0.0066 876 GLU 83 N 0.0044 -0.0004 -0.0116 877 GLU 83 CA 0.0052 0.0007 -0.0115 878 GLU 83 C 0.0062 0.0022 -0.0109 879 GLU 83 O 0.0070 0.0033 -0.0120 880 GLU 83 CB 0.0048 0.0003 -0.0101 881 GLU 83 CG 0.0056 0.0014 -0.0098 882 GLU 83 CD 0.0051 0.0008 -0.0086 883 GLU 83 OE1 0.0050 0.0008 -0.0070 884 GLU 83 OE2 0.0048 0.0003 -0.0094 885 GLU 83 H 0.0042 -0.0005 -0.0106 886 GLU 83 HA 0.0053 0.0008 -0.0128 887 GLU 83 HB2 0.0041 -0.0008 -0.0106 888 GLU 83 HB3 0.0046 0.0001 -0.0088 889 GLU 83 HG2 0.0063 0.0024 -0.0092 890 GLU 83 HG3 0.0058 0.0016 -0.0111 891 ALA 84 N 0.0015 0.0019 -0.0075 892 ALA 84 CA 0.0009 0.0020 -0.0080 893 ALA 84 C -0.0003 0.0008 -0.0094 894 ALA 84 O -0.0006 0.0003 -0.0099 895 ALA 84 CB 0.0021 0.0015 -0.0071 896 ALA 84 H 0.0023 0.0008 -0.0073 897 ALA 84 HA 0.0002 0.0034 -0.0079 898 ALA 84 HB1 0.0017 0.0016 -0.0075 899 ALA 84 HB2 0.0028 0.0001 -0.0072 900 ALA 84 HB3 0.0028 0.0024 -0.0062 901 GLU 85 N -0.0004 -0.0033 -0.0080 902 GLU 85 CA -0.0020 -0.0039 -0.0064 903 GLU 85 C -0.0034 -0.0018 -0.0061 904 GLU 85 O -0.0038 -0.0004 -0.0064 905 GLU 85 CB -0.0019 -0.0047 -0.0061 906 GLU 85 CG -0.0034 -0.0057 -0.0044 907 GLU 85 CD -0.0053 -0.0042 -0.0035 908 GLU 85 OE1 -0.0057 -0.0033 -0.0035 909 GLU 85 OE2 -0.0063 -0.0039 -0.0028 910 GLU 85 H -0.0005 -0.0018 -0.0086 911 GLU 85 HA -0.0022 -0.0051 -0.0057 912 GLU 85 HB2 -0.0006 -0.0058 -0.0067 913 GLU 85 HB3 -0.0020 -0.0033 -0.0066 914 GLU 85 HG2 -0.0034 -0.0067 -0.0040 915 GLU 85 HG3 -0.0030 -0.0068 -0.0043 916 ARG 86 N -0.0047 -0.0022 -0.0054 917 ARG 86 CA -0.0052 -0.0006 -0.0045 918 ARG 86 C -0.0053 -0.0008 -0.0011 919 ARG 86 O -0.0048 -0.0030 0.0004 920 ARG 86 CB -0.0049 -0.0014 -0.0064 921 ARG 86 CG -0.0040 -0.0047 -0.0070 922 ARG 86 CD -0.0036 -0.0065 -0.0041 923 ARG 86 NE -0.0027 -0.0096 -0.0048 924 ARG 86 CZ -0.0022 -0.0118 -0.0027 925 ARG 86 NH1 -0.0025 -0.0113 0.0003 926 ARG 86 NH2 -0.0014 -0.0146 -0.0036 927 ARG 86 H -0.0042 -0.0043 -0.0049 928 ARG 86 HA -0.0058 0.0017 -0.0049 929 ARG 86 HB2 -0.0052 -0.0005 -0.0053 930 ARG 86 HB3 -0.0051 -0.0003 -0.0086 931 ARG 86 HG2 -0.0038 -0.0049 -0.0085 932 ARG 86 HG3 -0.0037 -0.0056 -0.0081 933 ARG 86 HD2 -0.0038 -0.0061 -0.0024 934 ARG 86 HD3 -0.0038 -0.0058 -0.0031 935 ARG 86 HE -0.0025 -0.0101 -0.0069 936 ARG 86 HH11 -0.0031 -0.0092 0.0011 937 ARG 86 HH12 -0.0021 -0.0129 0.0019 938 ARG 86 HH21 -0.0011 -0.0151 -0.0058 939 ARG 86 HH22 -0.0009 -0.0163 -0.0021 940 ALA 87 N -0.0039 -0.0026 -0.0021 941 ALA 87 CA -0.0010 -0.0025 -0.0003 942 ALA 87 C 0.0004 -0.0058 -0.0018 943 ALA 87 O 0.0015 -0.0061 -0.0014 944 ALA 87 CB -0.0022 0.0002 0.0008 945 ALA 87 H -0.0061 -0.0025 -0.0032 946 ALA 87 HA 0.0010 -0.0019 0.0012 947 ALA 87 HB1 -0.0042 -0.0004 -0.0007 948 ALA 87 HB2 -0.0032 0.0025 0.0018 949 ALA 87 HB3 -0.0001 0.0002 0.0021 950 ALA 88 N 0.0065 -0.0090 -0.0030 951 ALA 88 CA 0.0056 -0.0128 0.0031 952 ALA 88 C -0.0007 -0.0107 0.0032 953 ALA 88 O -0.0075 -0.0102 0.0059 954 ALA 88 CB 0.0040 -0.0164 0.0093 955 ALA 88 H 0.0018 -0.0065 -0.0043 956 ALA 88 HA 0.0110 -0.0146 0.0031 957 ALA 88 HB1 -0.0014 -0.0147 0.0094 958 ALA 88 HB2 0.0087 -0.0179 0.0092 959 ALA 88 HB3 0.0036 -0.0193 0.0138 960 GLY 89 N -0.0214 -0.0029 -0.0042 961 GLY 89 CA 0.0051 -0.0062 -0.0046 962 GLY 89 C -0.0075 -0.0069 0.0010 963 GLY 89 O -0.0276 0.0028 -0.0162 964 GLY 89 H -0.0430 -0.0041 0.0051 965 GLY 89 HA2 0.0181 0.0014 -0.0267 966 GLY 89 HA3 0.0217 -0.0156 0.0130 967 MET 90 N 0.0071 -0.0001 -0.0094 968 MET 90 CA 0.0032 -0.0011 -0.0068 969 MET 90 C -0.0012 -0.0003 -0.0002 970 MET 90 O 0.0006 0.0034 0.0050 971 MET 90 CB 0.0074 0.0016 -0.0064 972 MET 90 CG 0.0039 0.0002 -0.0051 973 MET 90 SD -0.0019 0.0008 0.0028 974 MET 90 CE -0.0043 -0.0007 0.0027 975 MET 90 H 0.0066 -0.0026 -0.0136 976 MET 90 HA 0.0003 -0.0046 -0.0102 977 MET 90 HB2 0.0109 0.0013 -0.0111 978 MET 90 HB3 0.0099 0.0050 -0.0026 979 MET 90 HG2 0.0014 -0.0033 -0.0089 980 MET 90 HG3 0.0074 0.0021 -0.0053 981 MET 90 HE1 -0.0063 -0.0041 -0.0015 982 MET 90 HE2 -0.0077 -0.0005 0.0071 983 MET 90 HE3 -0.0002 0.0015 0.0022 984 GLY 91 N -0.0047 0.0013 -0.0053 985 GLY 91 CA -0.0044 0.0031 -0.0071 986 GLY 91 C -0.0053 0.0010 -0.0048 987 GLY 91 O -0.0023 -0.0004 -0.0046 988 GLY 91 H -0.0028 -0.0010 -0.0038 989 GLY 91 HA2 -0.0067 0.0056 -0.0085 990 GLY 91 HA3 -0.0010 0.0035 -0.0087 991 SER 92 N -0.0082 -0.0008 0.0061 992 SER 92 CA -0.0085 -0.0011 0.0065 993 SER 92 C -0.0071 -0.0016 0.0100 994 SER 92 O -0.0044 -0.0002 0.0112 995 SER 92 CB -0.0071 0.0009 0.0040 996 SER 92 OG -0.0085 0.0013 0.0007 997 SER 92 H -0.0062 0.0005 0.0064 998 SER 92 HA -0.0108 -0.0026 0.0060 999 SER 92 HB2 -0.0048 0.0023 0.0045 1000 SER 92 HB3 -0.0075 0.0006 0.0042 1001 SER 92 HG -0.0096 0.0004 0.0010 1002 TYR 93 N 0.0057 0.0012 -0.0018 1003 TYR 93 CA 0.0056 0.0013 -0.0040 1004 TYR 93 C 0.0032 0.0042 -0.0105 1005 TYR 93 O 0.0011 0.0070 -0.0120 1006 TYR 93 CB 0.0033 0.0042 0.0012 1007 TYR 93 CG 0.0034 0.0040 0.0001 1008 TYR 93 CD1 0.0066 -0.0000 0.0026 1009 TYR 93 CD2 0.0004 0.0078 -0.0034 1010 TYR 93 CE1 0.0068 -0.0003 0.0016 1011 TYR 93 CE2 0.0006 0.0076 -0.0044 1012 TYR 93 CZ 0.0038 0.0035 -0.0019 1013 TYR 93 OH 0.0040 0.0033 -0.0030 1014 TYR 93 H 0.0030 0.0045 -0.0006 1015 TYR 93 HA 0.0087 -0.0025 -0.0046 1016 TYR 93 HB2 0.0046 0.0025 0.0060 1017 TYR 93 HB3 0.0001 0.0082 0.0013 1018 TYR 93 HD1 0.0090 -0.0030 0.0054 1019 TYR 93 HD2 -0.0022 0.0110 -0.0054 1020 TYR 93 HE1 0.0094 -0.0035 0.0036 1021 TYR 93 HE2 -0.0018 0.0106 -0.0072 1022 TYR 93 HH 0.0036 0.0038 -0.0076 1023 VAL 94 N 0.0115 0.0000 0.0114 1024 VAL 94 CA 0.0055 -0.0005 0.0063 1025 VAL 94 C 0.0012 0.0042 0.0071 1026 VAL 94 O -0.0011 0.0097 0.0100 1027 VAL 94 CB 0.0021 -0.0005 0.0036 1028 VAL 94 CG1 0.0008 0.0050 0.0074 1029 VAL 94 CG2 -0.0039 -0.0014 -0.0019 1030 VAL 94 H 0.0126 0.0009 0.0130 1031 VAL 94 HA 0.0068 -0.0047 0.0035 1032 VAL 94 HB 0.0052 -0.0043 0.0027 1033 VAL 94 HG11 -0.0016 0.0047 0.0053 1034 VAL 94 HG12 -0.0021 0.0089 0.0086 1035 VAL 94 HG13 0.0052 0.0053 0.0111 1036 VAL 94 HG21 -0.0070 0.0022 -0.0011 1037 VAL 94 HG22 -0.0062 -0.0014 -0.0037 1038 VAL 94 HG23 -0.0028 -0.0056 -0.0047