1 ASP 28 N 0.0517 0.0080 -0.0248 2 ASP 28 CA 0.0339 0.0080 -0.0158 3 ASP 28 C 0.0256 0.0001 -0.0090 4 ASP 28 O 0.0282 0.0053 -0.0120 5 ASP 28 CB 0.0255 0.0270 -0.0175 6 ASP 28 CG 0.0071 0.0281 -0.0085 7 ASP 28 OD1 0.0029 0.0210 -0.0040 8 ASP 28 OD2 -0.0032 0.0368 -0.0059 9 ASP 28 H 0.0577 0.0136 -0.0297 10 ASP 28 HA 0.0330 -0.0003 -0.0127 11 ASP 28 HB2 0.0315 0.0324 -0.0223 12 ASP 28 HB3 0.0268 0.0353 -0.0208 13 PRO 29 N 0.0436 0.0065 -0.0126 14 PRO 29 CA 0.0278 0.0039 -0.0129 15 PRO 29 C 0.0098 0.0227 -0.0157 16 PRO 29 O -0.0008 0.0278 -0.0167 17 PRO 29 CB 0.0161 -0.0193 -0.0105 18 PRO 29 CG 0.0309 -0.0314 -0.0086 19 PRO 29 CD 0.0424 -0.0133 -0.0103 20 PRO 29 HA 0.0370 0.0037 -0.0125 21 PRO 29 HB2 -0.0011 -0.0162 -0.0115 22 PRO 29 HB3 0.0149 -0.0285 -0.0095 23 PRO 29 HG2 0.0204 -0.0423 -0.0076 24 PRO 29 HG3 0.0436 -0.0415 -0.0069 25 PRO 29 HD2 0.0323 -0.0094 -0.0111 26 PRO 29 HD3 0.0595 -0.0189 -0.0091 27 ASN 30 N -0.0009 0.0264 -0.0141 28 ASN 30 CA 0.0008 0.0228 -0.0046 29 ASN 30 C 0.0058 0.0211 0.0031 30 ASN 30 O 0.0149 0.0228 0.0056 31 ASN 30 CB 0.0065 0.0248 -0.0052 32 ASN 30 CG 0.0089 0.0215 0.0044 33 ASN 30 OD1 0.0029 0.0185 0.0071 34 ASN 30 ND2 0.0175 0.0220 0.0094 35 ASN 30 H -0.0076 0.0258 -0.0176 36 ASN 30 HA -0.0066 0.0197 -0.0026 37 ASN 30 HB2 0.0019 0.0256 -0.0102 38 ASN 30 HB3 0.0131 0.0282 -0.0083 39 ASN 30 HD21 0.0221 0.0245 0.0067 40 ASN 30 HD22 0.0192 0.0198 0.0156 41 ALA 31 N 0.0043 0.0194 0.0139 42 ALA 31 CA 0.0046 0.0135 0.0179 43 ALA 31 C -0.0008 0.0126 0.0222 44 ALA 31 O -0.0051 0.0134 0.0246 45 ALA 31 CB 0.0055 0.0114 0.0188 46 ALA 31 H 0.0006 0.0222 0.0144 47 ALA 31 HA 0.0083 0.0110 0.0172 48 ALA 31 HB1 0.0060 0.0069 0.0217 49 ALA 31 HB2 0.0019 0.0138 0.0195 50 ALA 31 HB3 0.0094 0.0120 0.0158 51 GLU 32 N -0.0015 -0.0050 0.0100 52 GLU 32 CA -0.0033 -0.0109 0.0066 53 GLU 32 C -0.0034 -0.0085 0.0055 54 GLU 32 O -0.0052 -0.0117 0.0015 55 GLU 32 CB -0.0027 -0.0182 0.0113 56 GLU 32 CG -0.0001 -0.0176 0.0189 57 GLU 32 CD 0.0004 -0.0251 0.0231 58 GLU 32 OE1 -0.0003 -0.0296 0.0225 59 GLU 32 OE2 0.0016 -0.0266 0.0270 60 GLU 32 H 0.0002 -0.0056 0.0153 61 GLU 32 HA -0.0052 -0.0118 0.0016 62 GLU 32 HB2 -0.0041 -0.0225 0.0086 63 GLU 32 HB3 -0.0026 -0.0197 0.0119 64 GLU 32 HG2 0.0014 -0.0135 0.0218 65 GLU 32 HG3 -0.0000 -0.0159 0.0183 66 PHE 33 N -0.0016 -0.0040 0.0087 67 PHE 33 CA -0.0033 -0.0073 0.0075 68 PHE 33 C -0.0058 -0.0096 0.0100 69 PHE 33 O -0.0061 -0.0087 0.0123 70 PHE 33 CB -0.0026 -0.0087 0.0034 71 PHE 33 CG -0.0024 -0.0087 0.0029 72 PHE 33 CD1 -0.0043 -0.0113 0.0036 73 PHE 33 CD2 -0.0001 -0.0061 0.0016 74 PHE 33 CE1 -0.0041 -0.0112 0.0032 75 PHE 33 CE2 0.0001 -0.0060 0.0012 76 PHE 33 CZ -0.0019 -0.0085 0.0020 77 PHE 33 H -0.0012 -0.0036 0.0082 78 PHE 33 HA -0.0032 -0.0071 0.0075 79 PHE 33 HB2 -0.0040 -0.0113 0.0026 80 PHE 33 HB3 -0.0009 -0.0073 0.0016 81 PHE 33 HD1 -0.0061 -0.0133 0.0046 82 PHE 33 HD2 0.0014 -0.0040 0.0010 83 PHE 33 HE1 -0.0057 -0.0132 0.0038 84 PHE 33 HE2 0.0018 -0.0039 0.0002 85 PHE 33 HZ -0.0017 -0.0085 0.0016 86 ASP 34 N -0.0032 -0.0133 0.0049 87 ASP 34 CA -0.0030 -0.0161 0.0062 88 ASP 34 C -0.0111 -0.0158 0.0053 89 ASP 34 O -0.0149 -0.0106 0.0026 90 ASP 34 CB 0.0027 -0.0118 0.0047 91 ASP 34 CG 0.0038 -0.0150 0.0063 92 ASP 34 OD1 -0.0012 -0.0144 0.0056 93 ASP 34 OD2 0.0098 -0.0182 0.0083 94 ASP 34 H -0.0033 -0.0083 0.0025 95 ASP 34 HA -0.0013 -0.0215 0.0088 96 ASP 34 HB2 0.0082 -0.0115 0.0051 97 ASP 34 HB3 0.0006 -0.0067 0.0021 98 PRO 35 N -0.0143 -0.0333 0.0155 99 PRO 35 CA -0.0321 -0.0367 0.0115 100 PRO 35 C -0.0320 -0.0319 0.0098 101 PRO 35 O -0.0462 -0.0349 0.0066 102 PRO 35 CB -0.0366 -0.0569 0.0175 103 PRO 35 CG -0.0182 -0.0641 0.0256 104 PRO 35 CD -0.0047 -0.0499 0.0244 105 PRO 35 HA -0.0425 -0.0297 0.0058 106 PRO 35 HB2 -0.0457 -0.0623 0.0168 107 PRO 35 HB3 -0.0431 -0.0596 0.0166 108 PRO 35 HG2 -0.0145 -0.0663 0.0275 109 PRO 35 HG3 -0.0185 -0.0766 0.0301 110 PRO 35 HD2 0.0082 -0.0484 0.0276 111 PRO 35 HD3 -0.0022 -0.0532 0.0263 112 ASP 36 N -0.0164 -0.0091 0.0115 113 ASP 36 CA -0.0149 0.0131 0.0033 114 ASP 36 C -0.0148 0.0233 0.0004 115 ASP 36 O -0.0195 0.0427 0.0015 116 ASP 36 CB -0.0023 0.0140 -0.0141 117 ASP 36 CG 0.0000 0.0365 -0.0236 118 ASP 36 OD1 -0.0067 0.0490 -0.0178 119 ASP 36 OD2 0.0088 0.0421 -0.0371 120 ASP 36 H -0.0087 -0.0202 0.0041 121 ASP 36 HA -0.0232 0.0217 0.0123 122 ASP 36 HB2 -0.0030 0.0074 -0.0114 123 ASP 36 HB3 0.0059 0.0042 -0.0227 124 LEU 37 N -0.0077 0.0086 -0.0069 125 LEU 37 CA -0.0076 0.0103 -0.0071 126 LEU 37 C -0.0103 0.0104 -0.0038 127 LEU 37 O -0.0118 0.0073 -0.0019 128 LEU 37 CB -0.0055 0.0080 -0.0095 129 LEU 37 CG -0.0025 0.0088 -0.0132 130 LEU 37 CD1 -0.0019 0.0134 -0.0141 131 LEU 37 CD2 -0.0016 0.0072 -0.0142 132 LEU 37 H -0.0075 0.0055 -0.0071 133 LEU 37 HA -0.0070 0.0135 -0.0079 134 LEU 37 HB2 -0.0058 0.0047 -0.0090 135 LEU 37 HB3 -0.0059 0.0089 -0.0090 136 LEU 37 HG -0.0014 0.0072 -0.0145 137 LEU 37 HD11 0.0002 0.0139 -0.0166 138 LEU 37 HD12 -0.0031 0.0152 -0.0127 139 LEU 37 HD13 -0.0024 0.0145 -0.0135 140 LEU 37 HD21 0.0004 0.0078 -0.0168 141 LEU 37 HD22 -0.0019 0.0038 -0.0137 142 LEU 37 HD23 -0.0028 0.0087 -0.0128 143 PRO 38 N -0.0059 0.0089 -0.0065 144 PRO 38 CA -0.0032 0.0077 -0.0068 145 PRO 38 C -0.0044 0.0082 -0.0066 146 PRO 38 O -0.0073 0.0074 -0.0054 147 PRO 38 CB -0.0025 0.0039 -0.0054 148 PRO 38 CG -0.0039 0.0035 -0.0048 149 PRO 38 CD -0.0069 0.0063 -0.0051 150 PRO 38 HA -0.0008 0.0088 -0.0080 151 PRO 38 HB2 -0.0039 0.0025 -0.0044 152 PRO 38 HB3 0.0003 0.0030 -0.0058 153 PRO 38 HG2 -0.0048 0.0011 -0.0035 154 PRO 38 HG3 -0.0018 0.0039 -0.0056 155 PRO 38 HD2 -0.0093 0.0054 -0.0040 156 PRO 38 HD3 -0.0071 0.0072 -0.0054 157 GLY 39 N -0.0039 0.0097 -0.0141 158 GLY 39 CA -0.0047 0.0109 -0.0142 159 GLY 39 C -0.0067 0.0136 -0.0142 160 GLY 39 O -0.0083 0.0145 -0.0137 161 GLY 39 H -0.0022 0.0099 -0.0152 162 GLY 39 HA2 -0.0030 0.0114 -0.0154 163 GLY 39 HA3 -0.0055 0.0095 -0.0131 164 GLY 40 N -0.0093 0.0101 -0.0108 165 GLY 40 CA -0.0076 0.0091 -0.0092 166 GLY 40 C -0.0051 0.0101 -0.0078 167 GLY 40 O -0.0034 0.0096 -0.0065 168 GLY 40 H -0.0103 0.0089 -0.0110 169 GLY 40 HA2 -0.0080 0.0069 -0.0087 170 GLY 40 HA3 -0.0079 0.0097 -0.0096 171 GLY 41 N -0.0068 0.0082 -0.0071 172 GLY 41 CA -0.0070 0.0083 -0.0063 173 GLY 41 C -0.0085 0.0085 -0.0058 174 GLY 41 O -0.0090 0.0086 -0.0052 175 GLY 41 H -0.0062 0.0081 -0.0067 176 GLY 41 HA2 -0.0063 0.0082 -0.0054 177 GLY 41 HA3 -0.0068 0.0082 -0.0070 178 LEU 42 N -0.0074 0.0084 -0.0058 179 LEU 42 CA -0.0064 0.0098 -0.0061 180 LEU 42 C -0.0063 0.0106 -0.0075 181 LEU 42 O -0.0054 0.0118 -0.0078 182 LEU 42 CB -0.0064 0.0099 -0.0064 183 LEU 42 CG -0.0064 0.0092 -0.0051 184 LEU 42 CD1 -0.0064 0.0094 -0.0056 185 LEU 42 CD2 -0.0054 0.0095 -0.0036 186 LEU 42 H -0.0081 0.0079 -0.0063 187 LEU 42 HA -0.0056 0.0101 -0.0051 188 LEU 42 HB2 -0.0071 0.0096 -0.0075 189 LEU 42 HB3 -0.0056 0.0109 -0.0067 190 LEU 42 HG -0.0072 0.0082 -0.0049 191 LEU 42 HD11 -0.0065 0.0089 -0.0047 192 LEU 42 HD12 -0.0057 0.0104 -0.0059 193 LEU 42 HD13 -0.0072 0.0091 -0.0067 194 LEU 42 HD21 -0.0046 0.0106 -0.0038 195 LEU 42 HD22 -0.0054 0.0090 -0.0027 196 LEU 42 HD23 -0.0054 0.0093 -0.0032 197 HIS 43 N -0.0144 0.0080 -0.0051 198 HIS 43 CA -0.0143 0.0059 -0.0002 199 HIS 43 C -0.0121 0.0024 0.0051 200 HIS 43 O -0.0068 -0.0007 0.0046 201 HIS 43 CB -0.0104 0.0045 -0.0027 202 HIS 43 CG -0.0118 0.0078 -0.0085 203 HIS 43 ND1 -0.0160 0.0103 -0.0083 204 HIS 43 CD2 -0.0093 0.0089 -0.0148 205 HIS 43 CE1 -0.0161 0.0128 -0.0141 206 HIS 43 NE2 -0.0121 0.0120 -0.0181 207 HIS 43 H -0.0108 0.0065 -0.0067 208 HIS 43 HA -0.0187 0.0078 0.0016 209 HIS 43 HB2 -0.0059 0.0021 -0.0036 210 HIS 43 HB3 -0.0110 0.0033 0.0010 211 HIS 43 HD1 -0.0187 0.0104 -0.0045 212 HIS 43 HD2 -0.0058 0.0075 -0.0167 213 HIS 43 HE1 -0.0190 0.0150 -0.0153 214 HIS 43 HE2 -0.0118 0.0137 -0.0227 215 ARG 44 N -0.0105 -0.0016 0.0084 216 ARG 44 CA -0.0103 -0.0018 0.0088 217 ARG 44 C -0.0115 -0.0039 0.0109 218 ARG 44 O -0.0134 -0.0051 0.0114 219 ARG 44 CB -0.0120 -0.0011 0.0066 220 ARG 44 CG -0.0117 0.0008 0.0041 221 ARG 44 CD -0.0138 0.0013 0.0021 222 ARG 44 NE -0.0138 0.0031 -0.0004 223 ARG 44 CZ -0.0153 0.0038 -0.0025 224 ARG 44 NH1 -0.0169 0.0030 -0.0024 225 ARG 44 NH2 -0.0151 0.0055 -0.0047 226 ARG 44 H -0.0122 -0.0023 0.0082 227 ARG 44 HA -0.0082 -0.0010 0.0091 228 ARG 44 HB2 -0.0141 -0.0022 0.0067 229 ARG 44 HB3 -0.0115 -0.0010 0.0068 230 ARG 44 HG2 -0.0097 0.0019 0.0039 231 ARG 44 HG3 -0.0121 0.0007 0.0040 232 ARG 44 HD2 -0.0159 0.0001 0.0024 233 ARG 44 HD3 -0.0133 0.0014 0.0022 234 ARG 44 HE -0.0127 0.0037 -0.0005 235 ARG 44 HH11 -0.0171 0.0017 -0.0008 236 ARG 44 HH12 -0.0180 0.0035 -0.0039 237 ARG 44 HH21 -0.0140 0.0062 -0.0049 238 ARG 44 HH22 -0.0162 0.0061 -0.0063 239 CYS 45 N -0.0065 -0.0036 0.0114 240 CYS 45 CA -0.0064 -0.0042 0.0103 241 CYS 45 C -0.0063 -0.0038 0.0080 242 CYS 45 O -0.0064 -0.0020 0.0074 243 CYS 45 CB -0.0065 -0.0029 0.0110 244 CYS 45 SG -0.0064 -0.0032 0.0093 245 CYS 45 H -0.0066 -0.0022 0.0116 246 CYS 45 HA -0.0063 -0.0058 0.0105 247 CYS 45 HB2 -0.0065 -0.0034 0.0125 248 CYS 45 HB3 -0.0066 -0.0012 0.0111 249 LEU 46 N -0.0068 -0.0006 0.0077 250 LEU 46 CA -0.0041 -0.0009 0.0030 251 LEU 46 C -0.0012 0.0034 0.0028 252 LEU 46 O 0.0019 0.0051 -0.0004 253 LEU 46 CB -0.0056 -0.0051 0.0010 254 LEU 46 CG -0.0084 -0.0096 0.0007 255 LEU 46 CD1 -0.0100 -0.0136 -0.0009 256 LEU 46 CD2 -0.0069 -0.0103 -0.0024 257 LEU 46 H -0.0091 -0.0027 0.0092 258 LEU 46 HA -0.0030 -0.0011 0.0009 259 LEU 46 HB2 -0.0068 -0.0049 0.0031 260 LEU 46 HB3 -0.0036 -0.0052 -0.0024 261 LEU 46 HG -0.0103 -0.0094 0.0042 262 LEU 46 HD11 -0.0112 -0.0133 0.0016 263 LEU 46 HD12 -0.0118 -0.0168 -0.0012 264 LEU 46 HD13 -0.0079 -0.0137 -0.0042 265 LEU 46 HD21 -0.0060 -0.0076 -0.0010 266 LEU 46 HD22 -0.0047 -0.0102 -0.0058 267 LEU 46 HD23 -0.0088 -0.0135 -0.0026 268 ALA 47 N 0.0009 0.0123 0.0076 269 ALA 47 CA 0.0015 0.0157 0.0060 270 ALA 47 C 0.0003 0.0183 0.0066 271 ALA 47 O 0.0011 0.0210 0.0051 272 ALA 47 CB 0.0008 0.0170 0.0064 273 ALA 47 H -0.0001 0.0114 0.0089 274 ALA 47 HA 0.0036 0.0154 0.0041 275 ALA 47 HB1 0.0014 0.0195 0.0051 276 ALA 47 HB2 -0.0012 0.0174 0.0084 277 ALA 47 HB3 0.0017 0.0152 0.0060 278 CYS 48 N -0.0013 0.0045 -0.0014 279 CYS 48 CA -0.0033 0.0073 -0.0006 280 CYS 48 C -0.0041 0.0083 0.0009 281 CYS 48 O -0.0058 0.0106 0.0012 282 CYS 48 CB -0.0038 0.0079 0.0016 283 CYS 48 SG -0.0034 0.0073 -0.0004 284 CYS 48 H -0.0003 0.0032 0.0002 285 CYS 48 HA -0.0041 0.0083 -0.0028 286 CYS 48 HB2 -0.0029 0.0068 0.0037 287 CYS 48 HB3 -0.0053 0.0099 0.0021 288 ALA 49 N -0.0058 0.0065 0.0025 289 ALA 49 CA -0.0057 0.0053 0.0029 290 ALA 49 C -0.0077 0.0061 0.0054 291 ALA 49 O -0.0080 0.0061 0.0058 292 ALA 49 CB -0.0044 0.0066 0.0005 293 ALA 49 H -0.0052 0.0051 0.0023 294 ALA 49 HA -0.0050 0.0029 0.0031 295 ALA 49 HB1 -0.0051 0.0090 0.0003 296 ALA 49 HB2 -0.0030 0.0061 -0.0012 297 ALA 49 HB3 -0.0043 0.0056 0.0008 298 ARG 50 N -0.0028 0.0002 0.0049 299 ARG 50 CA -0.0107 0.0013 0.0111 300 ARG 50 C -0.0119 -0.0060 0.0175 301 ARG 50 O -0.0084 -0.0094 0.0169 302 ARG 50 CB -0.0162 0.0094 0.0101 303 ARG 50 CG -0.0160 0.0173 0.0042 304 ARG 50 CD -0.0216 0.0250 0.0035 305 ARG 50 NE -0.0213 0.0327 -0.0023 306 ARG 50 CZ -0.0253 0.0404 -0.0044 307 ARG 50 NH1 -0.0300 0.0414 -0.0010 308 ARG 50 NH2 -0.0245 0.0469 -0.0098 309 ARG 50 H -0.0007 0.0008 0.0027 310 ARG 50 HA -0.0120 0.0015 0.0121 311 ARG 50 HB2 -0.0148 0.0093 0.0090 312 ARG 50 HB3 -0.0220 0.0097 0.0151 313 ARG 50 HG2 -0.0175 0.0175 0.0053 314 ARG 50 HG3 -0.0102 0.0171 -0.0008 315 ARG 50 HD2 -0.0202 0.0247 0.0025 316 ARG 50 HD3 -0.0274 0.0252 0.0085 317 ARG 50 HE -0.0180 0.0319 -0.0047 318 ARG 50 HH11 -0.0308 0.0366 0.0032 319 ARG 50 HH12 -0.0331 0.0470 -0.0023 320 ARG 50 HH21 -0.0211 0.0464 -0.0125 321 ARG 50 HH22 -0.0273 0.0526 -0.0115 322 TYR 51 N -0.0076 0.0008 0.0054 323 TYR 51 CA -0.0075 0.0016 0.0045 324 TYR 51 C -0.0054 0.0013 0.0055 325 TYR 51 O -0.0035 0.0016 0.0058 326 TYR 51 CB -0.0072 0.0033 0.0025 327 TYR 51 CG -0.0091 0.0037 0.0015 328 TYR 51 CD1 -0.0089 0.0038 0.0015 329 TYR 51 CD2 -0.0112 0.0040 0.0005 330 TYR 51 CE1 -0.0106 0.0041 0.0005 331 TYR 51 CE2 -0.0129 0.0043 -0.0004 332 TYR 51 CZ -0.0126 0.0044 -0.0004 333 TYR 51 OH -0.0143 0.0047 -0.0014 334 TYR 51 H -0.0064 0.0014 0.0051 335 TYR 51 HA -0.0091 0.0011 0.0045 336 TYR 51 HB2 -0.0056 0.0037 0.0025 337 TYR 51 HB3 -0.0073 0.0039 0.0018 338 TYR 51 HD1 -0.0073 0.0036 0.0022 339 TYR 51 HD2 -0.0114 0.0039 0.0005 340 TYR 51 HE1 -0.0104 0.0042 0.0005 341 TYR 51 HE2 -0.0145 0.0045 -0.0012 342 TYR 51 HH -0.0135 0.0055 -0.0020 343 PHE 52 N -0.0016 -0.0022 0.0051 344 PHE 52 CA 0.0003 -0.0026 0.0059 345 PHE 52 C 0.0001 -0.0013 0.0026 346 PHE 52 O -0.0029 -0.0004 0.0006 347 PHE 52 CB -0.0016 -0.0038 0.0094 348 PHE 52 CG -0.0015 -0.0051 0.0130 349 PHE 52 CD1 -0.0043 -0.0052 0.0137 350 PHE 52 CD2 0.0015 -0.0062 0.0156 351 PHE 52 CE1 -0.0042 -0.0064 0.0169 352 PHE 52 CE2 0.0016 -0.0075 0.0189 353 PHE 52 CZ -0.0012 -0.0075 0.0195 354 PHE 52 H -0.0046 -0.0019 0.0048 355 PHE 52 HA 0.0035 -0.0030 0.0065 356 PHE 52 HB2 -0.0047 -0.0033 0.0088 357 PHE 52 HB3 -0.0001 -0.0040 0.0099 358 PHE 52 HD1 -0.0066 -0.0043 0.0116 359 PHE 52 HD2 0.0037 -0.0062 0.0151 360 PHE 52 HE1 -0.0064 -0.0064 0.0174 361 PHE 52 HE2 0.0040 -0.0084 0.0209 362 PHE 52 HZ -0.0011 -0.0085 0.0221 363 ILE 53 N 0.0117 -0.0085 -0.0061 364 ILE 53 CA 0.0167 0.0008 -0.0201 365 ILE 53 C 0.0101 0.0091 -0.0236 366 ILE 53 O 0.0080 0.0202 -0.0336 367 ILE 53 CB 0.0331 -0.0056 -0.0268 368 ILE 53 CG1 0.0384 -0.0153 -0.0208 369 ILE 53 CG2 0.0400 -0.0115 -0.0261 370 ILE 53 CD1 0.0544 -0.0218 -0.0271 371 ILE 53 H 0.0189 -0.0175 -0.0025 372 ILE 53 HA 0.0137 0.0068 -0.0240 373 ILE 53 HB 0.0359 0.0019 -0.0370 374 ILE 53 HG12 0.0354 -0.0227 -0.0105 375 ILE 53 HG13 0.0334 -0.0106 -0.0217 376 ILE 53 HG21 0.0367 -0.0186 -0.0159 377 ILE 53 HG22 0.0367 -0.0043 -0.0311 378 ILE 53 HG23 0.0515 -0.0160 -0.0308 379 ILE 53 HD11 0.0578 -0.0147 -0.0374 380 ILE 53 HD12 0.0573 -0.0286 -0.0222 381 ILE 53 HD13 0.0597 -0.0265 -0.0263 382 ASP 54 N 0.0086 -0.0007 -0.0120 383 ASP 54 CA 0.0023 0.0020 -0.0127 384 ASP 54 C -0.0047 -0.0000 -0.0037 385 ASP 54 O -0.0025 -0.0046 0.0037 386 ASP 54 CB 0.0087 0.0009 -0.0151 387 ASP 54 CG 0.0029 0.0038 -0.0166 388 ASP 54 OD1 0.0005 0.0087 -0.0244 389 ASP 54 OD2 0.0007 0.0013 -0.0101 390 ASP 54 H 0.0102 -0.0045 -0.0059 391 ASP 54 HA -0.0018 0.0064 -0.0183 392 ASP 54 HB2 0.0138 0.0022 -0.0213 393 ASP 54 HB3 0.0127 -0.0035 -0.0095 394 SER 55 N -0.0050 -0.0018 -0.0003 395 SER 55 CA -0.0105 -0.0052 0.0042 396 SER 55 C -0.0071 -0.0093 0.0103 397 SER 55 O -0.0094 -0.0125 0.0147 398 SER 55 CB -0.0164 -0.0043 0.0023 399 SER 55 OG -0.0218 -0.0075 0.0066 400 SER 55 H -0.0054 0.0004 -0.0035 401 SER 55 HA -0.0128 -0.0055 0.0044 402 SER 55 HB2 -0.0190 -0.0016 -0.0017 403 SER 55 HB3 -0.0142 -0.0035 0.0015 404 SER 55 HG -0.0205 -0.0094 0.0094 405 THR 56 N -0.0083 -0.0117 0.0113 406 THR 56 CA -0.0062 -0.0121 0.0181 407 THR 56 C -0.0020 -0.0096 0.0192 408 THR 56 O -0.0020 -0.0109 0.0237 409 THR 56 CB -0.0036 -0.0111 0.0206 410 THR 56 OG1 -0.0074 -0.0131 0.0188 411 THR 56 CG2 -0.0022 -0.0120 0.0279 412 THR 56 H -0.0074 -0.0105 0.0091 413 THR 56 HA -0.0097 -0.0151 0.0206 414 THR 56 HB 0.0001 -0.0080 0.0185 415 THR 56 HG1 -0.0069 -0.0116 0.0144 416 THR 56 HG21 -0.0003 -0.0112 0.0296 417 THR 56 HG22 -0.0059 -0.0151 0.0301 418 THR 56 HG23 0.0007 -0.0105 0.0293 419 ASN 57 N 0.0021 -0.0097 0.0151 420 ASN 57 CA 0.0063 -0.0106 0.0174 421 ASN 57 C 0.0013 -0.0122 0.0197 422 ASN 57 O 0.0029 -0.0146 0.0245 423 ASN 57 CB 0.0113 -0.0075 0.0121 424 ASN 57 CG 0.0185 -0.0068 0.0117 425 ASN 57 OD1 0.0240 -0.0081 0.0150 426 ASN 57 ND2 0.0187 -0.0047 0.0079 427 ASN 57 H 0.0022 -0.0072 0.0104 428 ASN 57 HA 0.0096 -0.0126 0.0215 429 ASN 57 HB2 0.0083 -0.0052 0.0075 430 ASN 57 HB3 0.0123 -0.0077 0.0128 431 ASN 57 HD21 0.0144 -0.0036 0.0053 432 ASN 57 HD22 0.0234 -0.0042 0.0077 433 LEU 58 N -0.0021 -0.0097 0.0169 434 LEU 58 CA -0.0036 -0.0101 0.0172 435 LEU 58 C -0.0044 -0.0113 0.0186 436 LEU 58 O -0.0046 -0.0120 0.0196 437 LEU 58 CB -0.0049 -0.0093 0.0158 438 LEU 58 CG -0.0068 -0.0096 0.0159 439 LEU 58 CD1 -0.0080 -0.0104 0.0167 440 LEU 58 CD2 -0.0066 -0.0101 0.0166 441 LEU 58 H -0.0022 -0.0092 0.0161 442 LEU 58 HA -0.0030 -0.0101 0.0173 443 LEU 58 HB2 -0.0043 -0.0086 0.0149 444 LEU 58 HB3 -0.0052 -0.0092 0.0155 445 LEU 58 HG -0.0074 -0.0090 0.0148 446 LEU 58 HD11 -0.0093 -0.0106 0.0167 447 LEU 58 HD12 -0.0075 -0.0111 0.0178 448 LEU 58 HD13 -0.0082 -0.0100 0.0161 449 LEU 58 HD21 -0.0060 -0.0109 0.0177 450 LEU 58 HD22 -0.0079 -0.0103 0.0166 451 LEU 58 HD23 -0.0057 -0.0096 0.0160 452 LYS 59 N -0.0049 -0.0166 0.0147 453 LYS 59 CA -0.0048 -0.0143 0.0141 454 LYS 59 C -0.0061 -0.0122 0.0136 455 LYS 59 O -0.0053 -0.0101 0.0130 456 LYS 59 CB -0.0058 -0.0148 0.0143 457 LYS 59 CG -0.0086 -0.0155 0.0145 458 LYS 59 CD -0.0094 -0.0161 0.0146 459 LYS 59 CE -0.0092 -0.0139 0.0140 460 LYS 59 NZ -0.0111 -0.0119 0.0136 461 LYS 59 H -0.0057 -0.0182 0.0151 462 LYS 59 HA -0.0028 -0.0139 0.0140 463 LYS 59 HB2 -0.0056 -0.0131 0.0138 464 LYS 59 HB3 -0.0047 -0.0163 0.0146 465 LYS 59 HG2 -0.0089 -0.0171 0.0149 466 LYS 59 HG3 -0.0097 -0.0140 0.0141 467 LYS 59 HD2 -0.0081 -0.0175 0.0150 468 LYS 59 HD3 -0.0113 -0.0169 0.0148 469 LYS 59 HE2 -0.0073 -0.0131 0.0138 470 LYS 59 HE3 -0.0097 -0.0145 0.0142 471 LYS 59 HZ1 -0.0129 -0.0126 0.0137 472 LYS 59 HZ2 -0.0109 -0.0105 0.0132 473 LYS 59 HZ3 -0.0108 -0.0113 0.0134 474 THR 60 N -0.0009 -0.0131 0.0171 475 THR 60 CA -0.0023 -0.0116 0.0162 476 THR 60 C -0.0035 -0.0104 0.0135 477 THR 60 O -0.0041 -0.0098 0.0117 478 THR 60 CB -0.0037 -0.0102 0.0188 479 THR 60 OG1 -0.0025 -0.0114 0.0213 480 THR 60 CG2 -0.0052 -0.0087 0.0180 481 THR 60 H -0.0010 -0.0129 0.0190 482 THR 60 HA -0.0014 -0.0126 0.0157 483 THR 60 HB -0.0045 -0.0093 0.0193 484 THR 60 HG1 -0.0018 -0.0121 0.0221 485 THR 60 HG21 -0.0062 -0.0077 0.0199 486 THR 60 HG22 -0.0043 -0.0095 0.0174 487 THR 60 HG23 -0.0061 -0.0077 0.0162 488 HIS 61 N -0.0007 -0.0089 0.0153 489 HIS 61 CA -0.0015 -0.0077 0.0126 490 HIS 61 C 0.0003 -0.0085 0.0093 491 HIS 61 O -0.0006 -0.0072 0.0067 492 HIS 61 CB -0.0018 -0.0077 0.0137 493 HIS 61 CG -0.0018 -0.0071 0.0109 494 HIS 61 ND1 -0.0038 -0.0051 0.0090 495 HIS 61 CD2 0.0002 -0.0085 0.0095 496 HIS 61 CE1 -0.0030 -0.0052 0.0066 497 HIS 61 NE2 -0.0007 -0.0072 0.0069 498 HIS 61 H -0.0001 -0.0098 0.0172 499 HIS 61 HA -0.0034 -0.0060 0.0123 500 HIS 61 HB2 -0.0037 -0.0065 0.0153 501 HIS 61 HB3 -0.0003 -0.0093 0.0151 502 HIS 61 HD1 -0.0055 -0.0037 0.0093 503 HIS 61 HD2 0.0020 -0.0102 0.0104 504 HIS 61 HE1 -0.0039 -0.0041 0.0045 505 PHE 62 N 0.0022 -0.0083 0.0010 506 PHE 62 CA 0.0037 -0.0081 -0.0008 507 PHE 62 C 0.0037 -0.0078 -0.0031 508 PHE 62 O 0.0049 -0.0076 -0.0048 509 PHE 62 CB 0.0063 -0.0082 0.0000 510 PHE 62 CG 0.0066 -0.0085 0.0025 511 PHE 62 CD1 0.0055 -0.0086 0.0031 512 PHE 62 CD2 0.0080 -0.0088 0.0042 513 PHE 62 CE1 0.0058 -0.0089 0.0054 514 PHE 62 CE2 0.0083 -0.0091 0.0064 515 PHE 62 CZ 0.0072 -0.0091 0.0070 516 PHE 62 H 0.0030 -0.0084 0.0021 517 PHE 62 HA 0.0029 -0.0081 -0.0010 518 PHE 62 HB2 0.0074 -0.0082 -0.0001 519 PHE 62 HB3 0.0070 -0.0081 -0.0012 520 PHE 62 HD1 0.0045 -0.0084 0.0018 521 PHE 62 HD2 0.0088 -0.0087 0.0037 522 PHE 62 HE1 0.0050 -0.0089 0.0058 523 PHE 62 HE2 0.0094 -0.0092 0.0077 524 PHE 62 HZ 0.0075 -0.0093 0.0089 525 ARG 63 N 0.0051 -0.0118 -0.0048 526 ARG 63 CA 0.0037 -0.0096 -0.0097 527 ARG 63 C 0.0013 -0.0074 -0.0141 528 ARG 63 O -0.0003 -0.0054 -0.0185 529 ARG 63 CB -0.0004 -0.0098 -0.0084 530 ARG 63 CG 0.0023 -0.0116 -0.0048 531 ARG 63 CD -0.0019 -0.0118 -0.0036 532 ARG 63 NE -0.0041 -0.0094 -0.0086 533 ARG 63 CZ -0.0071 -0.0091 -0.0087 534 ARG 63 NH1 -0.0081 -0.0110 -0.0042 535 ARG 63 NH2 -0.0090 -0.0069 -0.0134 536 ARG 63 H 0.0024 -0.0130 -0.0015 537 ARG 63 HA 0.0079 -0.0092 -0.0112 538 ARG 63 HB2 -0.0044 -0.0104 -0.0063 539 ARG 63 HB3 -0.0017 -0.0080 -0.0122 540 ARG 63 HG2 0.0062 -0.0109 -0.0070 541 ARG 63 HG3 0.0037 -0.0133 -0.0011 542 ARG 63 HD2 0.0003 -0.0130 -0.0012 543 ARG 63 HD3 -0.0057 -0.0125 -0.0013 544 ARG 63 HE -0.0032 -0.0080 -0.0120 545 ARG 63 HH11 -0.0067 -0.0127 -0.0005 546 ARG 63 HH12 -0.0104 -0.0109 -0.0041 547 ARG 63 HH21 -0.0082 -0.0055 -0.0169 548 ARG 63 HH22 -0.0113 -0.0066 -0.0138 549 SER 64 N 0.0100 -0.0095 -0.0128 550 SER 64 CA 0.0088 -0.0095 -0.0144 551 SER 64 C 0.0139 -0.0062 -0.0152 552 SER 64 O 0.0174 -0.0060 -0.0112 553 SER 64 CB 0.0069 -0.0126 -0.0097 554 SER 64 OG 0.0029 -0.0157 -0.0078 555 SER 64 H 0.0108 -0.0107 -0.0090 556 SER 64 HA 0.0058 -0.0095 -0.0181 557 SER 64 HB2 0.0101 -0.0123 -0.0063 558 SER 64 HB3 0.0053 -0.0129 -0.0111 559 SER 64 HG -0.0003 -0.0163 -0.0106 560 LYS 65 N 0.0146 -0.0127 -0.0264 561 LYS 65 CA 0.0215 -0.0019 -0.0240 562 LYS 65 C 0.0223 -0.0042 -0.0109 563 LYS 65 O 0.0288 0.0045 -0.0035 564 LYS 65 CB 0.0224 0.0035 -0.0383 565 LYS 65 CG 0.0152 -0.0061 -0.0469 566 LYS 65 CD 0.0129 -0.0122 -0.0385 567 LYS 65 CE 0.0058 -0.0215 -0.0475 568 LYS 65 NZ 0.0032 -0.0281 -0.0393 569 LYS 65 H 0.0107 -0.0167 -0.0357 570 LYS 65 HA 0.0264 0.0053 -0.0210 571 LYS 65 HB2 0.0271 0.0105 -0.0353 572 LYS 65 HB3 0.0241 0.0082 -0.0456 573 LYS 65 HG2 0.0165 -0.0012 -0.0568 574 LYS 65 HG3 0.0104 -0.0134 -0.0497 575 LYS 65 HD2 0.0116 -0.0171 -0.0285 576 LYS 65 HD3 0.0178 -0.0048 -0.0360 577 LYS 65 HE2 0.0074 -0.0163 -0.0571 578 LYS 65 HE3 0.0012 -0.0284 -0.0508 579 LYS 65 HZ1 0.0076 -0.0218 -0.0359 580 LYS 65 HZ2 0.0014 -0.0335 -0.0302 581 LYS 65 HZ3 -0.0016 -0.0342 -0.0459 582 ASP 66 N 0.0234 -0.0112 -0.0103 583 ASP 66 CA 0.0286 -0.0137 0.0010 584 ASP 66 C 0.0287 -0.0141 0.0004 585 ASP 66 O 0.0297 -0.0119 0.0097 586 ASP 66 CB 0.0369 -0.0238 0.0034 587 ASP 66 CG 0.0421 -0.0259 0.0161 588 ASP 66 OD1 0.0424 -0.0229 0.0248 589 ASP 66 OD2 0.0463 -0.0308 0.0177 590 ASP 66 H 0.0258 -0.0165 -0.0160 591 ASP 66 HA 0.0262 -0.0077 0.0083 592 ASP 66 HB2 0.0365 -0.0237 0.0022 593 ASP 66 HB3 0.0394 -0.0298 -0.0033 594 HIS 67 N 0.0166 -0.0040 -0.0073 595 HIS 67 CA 0.0160 -0.0020 -0.0055 596 HIS 67 C 0.0164 -0.0001 -0.0049 597 HIS 67 O 0.0151 0.0006 -0.0032 598 HIS 67 CB 0.0170 -0.0009 -0.0060 599 HIS 67 CG 0.0165 0.0010 -0.0043 600 HIS 67 ND1 0.0146 0.0009 -0.0024 601 HIS 67 CD2 0.0174 0.0024 -0.0044 602 HIS 67 CE1 0.0143 0.0022 -0.0014 603 HIS 67 NE2 0.0160 0.0032 -0.0026 604 HIS 67 H 0.0176 -0.0044 -0.0085 605 HIS 67 HA 0.0144 -0.0027 -0.0043 606 HIS 67 HB2 0.0168 -0.0021 -0.0064 607 HIS 67 HB3 0.0186 -0.0001 -0.0071 608 HIS 67 HD1 0.0135 0.0000 -0.0019 609 HIS 67 HD2 0.0190 0.0030 -0.0057 610 HIS 67 HE1 0.0130 0.0026 0.0001 611 LYS 68 N 0.0249 -0.0001 -0.0035 612 LYS 68 CA 0.0244 0.0019 -0.0032 613 LYS 68 C 0.0248 0.0034 -0.0012 614 LYS 68 O 0.0249 0.0046 -0.0001 615 LYS 68 CB 0.0230 0.0030 -0.0051 616 LYS 68 CG 0.0226 0.0015 -0.0072 617 LYS 68 CD 0.0212 0.0027 -0.0091 618 LYS 68 CE 0.0208 0.0033 -0.0092 619 LYS 68 NZ 0.0195 0.0043 -0.0111 620 LYS 68 H 0.0245 -0.0003 -0.0047 621 LYS 68 HA 0.0246 0.0015 -0.0031 622 LYS 68 HB2 0.0228 0.0036 -0.0052 623 LYS 68 HB3 0.0225 0.0044 -0.0050 624 LYS 68 HG2 0.0228 0.0007 -0.0072 625 LYS 68 HG3 0.0230 0.0001 -0.0074 626 LYS 68 HD2 0.0207 0.0041 -0.0089 627 LYS 68 HD3 0.0209 0.0016 -0.0105 628 LYS 68 HE2 0.0213 0.0019 -0.0093 629 LYS 68 HE3 0.0211 0.0045 -0.0079 630 LYS 68 HZ1 0.0190 0.0058 -0.0111 631 LYS 68 HZ2 0.0193 0.0047 -0.0112 632 LYS 68 HZ3 0.0193 0.0032 -0.0125 633 LYS 69 N 0.0160 -0.0015 -0.0041 634 LYS 69 CA 0.0143 -0.0024 0.0067 635 LYS 69 C 0.0160 -0.0022 0.0028 636 LYS 69 O 0.0085 -0.0019 0.0064 637 LYS 69 CB 0.0243 -0.0041 0.0160 638 LYS 69 CG 0.0272 -0.0053 0.0264 639 LYS 69 CD 0.0385 -0.0068 0.0333 640 LYS 69 CE 0.0434 -0.0082 0.0437 641 LYS 69 NZ 0.0548 -0.0096 0.0492 642 LYS 69 H 0.0225 -0.0020 -0.0036 643 LYS 69 HA 0.0051 -0.0022 0.0109 644 LYS 69 HB2 0.0215 -0.0043 0.0203 645 LYS 69 HB3 0.0329 -0.0042 0.0107 646 LYS 69 HG2 0.0294 -0.0050 0.0218 647 LYS 69 HG3 0.0191 -0.0053 0.0327 648 LYS 69 HD2 0.0356 -0.0070 0.0374 649 LYS 69 HD3 0.0459 -0.0067 0.0265 650 LYS 69 HE2 0.0458 -0.0080 0.0400 651 LYS 69 HE3 0.0363 -0.0084 0.0510 652 LYS 69 HZ1 0.0589 -0.0106 0.0563 653 LYS 69 HZ2 0.0616 -0.0094 0.0421 654 LYS 69 HZ3 0.0527 -0.0097 0.0527 655 ARG 70 N 0.0251 -0.0054 0.0025 656 ARG 70 CA 0.0121 0.0018 -0.0033 657 ARG 70 C 0.0092 0.0062 -0.0041 658 ARG 70 O -0.0019 0.0062 -0.0099 659 ARG 70 CB 0.0108 0.0152 -0.0019 660 ARG 70 CG -0.0031 0.0224 -0.0081 661 ARG 70 CD -0.0127 0.0117 -0.0148 662 ARG 70 NE -0.0262 0.0180 -0.0209 663 ARG 70 CZ -0.0368 0.0104 -0.0276 664 ARG 70 NH1 -0.0354 -0.0041 -0.0291 665 ARG 70 NH2 -0.0486 0.0172 -0.0328 666 ARG 70 H 0.0320 -0.0003 0.0069 667 ARG 70 HA 0.0053 -0.0061 -0.0080 668 ARG 70 HB2 0.0143 0.0124 -0.0005 669 ARG 70 HB3 0.0171 0.0231 0.0026 670 ARG 70 HG2 -0.0033 0.0316 -0.0068 671 ARG 70 HG3 -0.0061 0.0262 -0.0091 672 ARG 70 HD2 -0.0123 0.0023 -0.0160 673 ARG 70 HD3 -0.0099 0.0081 -0.0139 674 ARG 70 HE -0.0272 0.0286 -0.0198 675 ARG 70 HH11 -0.0267 -0.0098 -0.0254 676 ARG 70 HH12 -0.0433 -0.0099 -0.0341 677 ARG 70 HH21 -0.0498 0.0280 -0.0318 678 ARG 70 HH22 -0.0569 0.0121 -0.0379 679 LEU 71 N 0.0109 0.0071 -0.0023 680 LEU 71 CA 0.0116 0.0091 -0.0011 681 LEU 71 C 0.0120 0.0076 -0.0020 682 LEU 71 O 0.0109 0.0086 -0.0014 683 LEU 71 CB 0.0147 0.0105 -0.0000 684 LEU 71 CG 0.0148 0.0122 0.0010 685 LEU 71 CD1 0.0179 0.0136 0.0021 686 LEU 71 CD2 0.0119 0.0142 0.0021 687 LEU 71 H 0.0125 0.0068 -0.0024 688 LEU 71 HA 0.0096 0.0106 -0.0003 689 LEU 71 HB2 0.0166 0.0090 -0.0008 690 LEU 71 HB3 0.0152 0.0119 0.0008 691 LEU 71 HG 0.0146 0.0107 0.0001 692 LEU 71 HD11 0.0182 0.0151 0.0030 693 LEU 71 HD12 0.0199 0.0122 0.0013 694 LEU 71 HD13 0.0179 0.0147 0.0027 695 LEU 71 HD21 0.0097 0.0131 0.0013 696 LEU 71 HD22 0.0120 0.0156 0.0029 697 LEU 71 HD23 0.0121 0.0153 0.0028 698 LYS 72 N 0.0197 -0.0016 -0.0061 699 LYS 72 CA 0.0157 -0.0032 -0.0039 700 LYS 72 C 0.0172 -0.0026 -0.0048 701 LYS 72 O 0.0141 -0.0043 -0.0064 702 LYS 72 CB 0.0145 -0.0029 0.0024 703 LYS 72 CG 0.0102 -0.0046 0.0051 704 LYS 72 CD 0.0091 -0.0044 0.0112 705 LYS 72 CE 0.0048 -0.0061 0.0140 706 LYS 72 NZ 0.0036 -0.0059 0.0198 707 LYS 72 H 0.0214 -0.0004 -0.0035 708 LYS 72 HA 0.0123 -0.0051 -0.0062 709 LYS 72 HB2 0.0135 -0.0033 0.0029 710 LYS 72 HB3 0.0180 -0.0010 0.0046 711 LYS 72 HG2 0.0113 -0.0041 0.0050 712 LYS 72 HG3 0.0068 -0.0065 0.0028 713 LYS 72 HD2 0.0081 -0.0048 0.0114 714 LYS 72 HD3 0.0126 -0.0025 0.0135 715 LYS 72 HE2 0.0059 -0.0055 0.0139 716 LYS 72 HE3 0.0015 -0.0080 0.0115 717 LYS 72 HZ1 0.0067 -0.0041 0.0223 718 LYS 72 HZ2 0.0024 -0.0064 0.0200 719 LYS 72 HZ3 0.0006 -0.0071 0.0216 720 GLN 73 N -0.0005 -0.0100 -0.0100 721 GLN 73 CA -0.0124 -0.0121 -0.0165 722 GLN 73 C -0.0206 -0.0024 -0.0190 723 GLN 73 O -0.0294 -0.0055 -0.0241 724 GLN 73 CB -0.0145 -0.0114 -0.0175 725 GLN 73 CG -0.0073 -0.0213 -0.0155 726 GLN 73 CD -0.0092 -0.0200 -0.0163 727 GLN 73 OE1 -0.0119 -0.0095 -0.0158 728 GLN 73 NE2 -0.0079 -0.0304 -0.0175 729 GLN 73 H 0.0045 -0.0071 -0.0069 730 GLN 73 HA -0.0140 -0.0214 -0.0190 731 GLN 73 HB2 -0.0127 -0.0022 -0.0149 732 GLN 73 HB3 -0.0234 -0.0127 -0.0223 733 GLN 73 HG2 -0.0094 -0.0306 -0.0183 734 GLN 73 HG3 0.0016 -0.0203 -0.0107 735 GLN 73 HE21 -0.0059 -0.0383 -0.0178 736 GLN 73 HE22 -0.0090 -0.0301 -0.0180 737 LEU 74 N -0.0155 0.0007 -0.0203 738 LEU 74 CA -0.0220 0.0102 -0.0196 739 LEU 74 C -0.0189 0.0108 -0.0179 740 LEU 74 O -0.0248 0.0169 -0.0183 741 LEU 74 CB -0.0211 0.0211 -0.0149 742 LEU 74 CG -0.0284 0.0320 -0.0140 743 LEU 74 CD1 -0.0406 0.0307 -0.0202 744 LEU 74 CD2 -0.0263 0.0421 -0.0090 745 LEU 74 H -0.0094 0.0021 -0.0169 746 LEU 74 HA -0.0305 0.0088 -0.0241 747 LEU 74 HB2 -0.0224 0.0199 -0.0160 748 LEU 74 HB3 -0.0126 0.0221 -0.0105 749 LEU 74 HG -0.0266 0.0336 -0.0125 750 LEU 74 HD11 -0.0455 0.0385 -0.0195 751 LEU 74 HD12 -0.0426 0.0290 -0.0219 752 LEU 74 HD13 -0.0421 0.0239 -0.0236 753 LEU 74 HD21 -0.0281 0.0407 -0.0105 754 LEU 74 HD22 -0.0315 0.0496 -0.0085 755 LEU 74 HD23 -0.0177 0.0431 -0.0046 756 SER 75 N -0.0054 0.0091 -0.0123 757 SER 75 CA 0.0014 0.0080 -0.0095 758 SER 75 C 0.0064 0.0191 -0.0002 759 SER 75 O 0.0094 0.0216 0.0028 760 SER 75 CB -0.0065 0.0050 -0.0153 761 SER 75 OG 0.0001 0.0031 -0.0131 762 SER 75 H -0.0014 0.0048 -0.0128 763 SER 75 HA 0.0094 0.0007 -0.0098 764 SER 75 HB2 -0.0096 -0.0029 -0.0216 765 SER 75 HB3 -0.0145 0.0122 -0.0150 766 SER 75 HG -0.0015 -0.0039 -0.0181 767 VAL 76 N 0.0071 0.0204 0.0029 768 VAL 76 CA 0.0093 0.0254 0.0087 769 VAL 76 C 0.0173 0.0244 0.0107 770 VAL 76 O 0.0198 0.0269 0.0142 771 VAL 76 CB 0.0072 0.0277 0.0102 772 VAL 76 CG1 0.0096 0.0327 0.0162 773 VAL 76 CG2 -0.0007 0.0287 0.0083 774 VAL 76 H 0.0050 0.0188 0.0005 775 VAL 76 HA 0.0066 0.0283 0.0106 776 VAL 76 HB 0.0098 0.0247 0.0081 777 VAL 76 HG11 0.0081 0.0342 0.0171 778 VAL 76 HG12 0.0072 0.0357 0.0183 779 VAL 76 HG13 0.0153 0.0319 0.0175 780 VAL 76 HG21 -0.0021 0.0302 0.0093 781 VAL 76 HG22 -0.0023 0.0250 0.0040 782 VAL 76 HG23 -0.0034 0.0316 0.0102 783 GLU 77 N 0.0255 0.0085 0.0098 784 GLU 77 CA 0.0280 0.0098 0.0087 785 GLU 77 C 0.0292 0.0111 0.0044 786 GLU 77 O 0.0270 0.0107 0.0014 787 GLU 77 CB 0.0263 0.0089 0.0092 788 GLU 77 CG 0.0223 0.0076 0.0073 789 GLU 77 CD 0.0209 0.0068 0.0078 790 GLU 77 OE1 0.0199 0.0058 0.0111 791 GLU 77 OE2 0.0208 0.0073 0.0048 792 GLU 77 H 0.0237 0.0081 0.0077 793 GLU 77 HA 0.0305 0.0105 0.0107 794 GLU 77 HB2 0.0280 0.0100 0.0079 795 GLU 77 HB3 0.0262 0.0083 0.0124 796 GLU 77 HG2 0.0205 0.0065 0.0086 797 GLU 77 HG3 0.0224 0.0082 0.0041 798 PRO 78 N 0.0350 0.0022 0.0076 799 PRO 78 CA 0.0355 0.0064 0.0046 800 PRO 78 C 0.0313 0.0051 0.0070 801 PRO 78 O 0.0323 0.0000 0.0101 802 PRO 78 CB 0.0430 0.0052 0.0025 803 PRO 78 CG 0.0464 0.0017 0.0035 804 PRO 78 CD 0.0415 -0.0018 0.0077 805 PRO 78 HA 0.0338 0.0110 0.0022 806 PRO 78 HB2 0.0437 0.0026 0.0039 807 PRO 78 HB3 0.0446 0.0093 -0.0009 808 PRO 78 HG2 0.0508 -0.0013 0.0037 809 PRO 78 HG3 0.0476 0.0047 0.0010 810 PRO 78 HD2 0.0418 -0.0060 0.0103 811 PRO 78 HD3 0.0422 -0.0025 0.0079 812 TYR 79 N 0.0235 0.0113 0.0125 813 TYR 79 CA 0.0051 0.0128 0.0079 814 TYR 79 C 0.0002 -0.0024 -0.0005 815 TYR 79 O -0.0032 -0.0143 -0.0069 816 TYR 79 CB -0.0056 0.0176 0.0069 817 TYR 79 CG -0.0027 0.0340 0.0152 818 TYR 79 CD1 0.0099 0.0356 0.0197 819 TYR 79 CD2 -0.0126 0.0478 0.0187 820 TYR 79 CE1 0.0127 0.0505 0.0273 821 TYR 79 CE2 -0.0100 0.0628 0.0263 822 TYR 79 CZ 0.0028 0.0641 0.0306 823 TYR 79 OH 0.0055 0.0792 0.0382 824 TYR 79 H 0.0303 0.0179 0.0176 825 TYR 79 HA 0.0028 0.0222 0.0115 826 TYR 79 HB2 -0.0024 0.0088 0.0038 827 TYR 79 HB3 -0.0189 0.0179 0.0032 828 TYR 79 HD1 0.0177 0.0249 0.0171 829 TYR 79 HD2 -0.0225 0.0468 0.0153 830 TYR 79 HE1 0.0227 0.0514 0.0306 831 TYR 79 HE2 -0.0178 0.0735 0.0288 832 TYR 79 HH 0.0057 0.0859 0.0414 833 SER 80 N 0.0092 0.0064 -0.0028 834 SER 80 CA 0.0100 0.0025 -0.0067 835 SER 80 C 0.0031 0.0033 -0.0060 836 SER 80 O -0.0029 0.0063 -0.0033 837 SER 80 CB 0.0182 0.0035 -0.0054 838 SER 80 OG 0.0199 -0.0006 -0.0094 839 SER 80 H 0.0106 0.0104 0.0011 840 SER 80 HA 0.0100 -0.0018 -0.0108 841 SER 80 HB2 0.0228 0.0032 -0.0056 842 SER 80 HB3 0.0181 0.0077 -0.0013 843 SER 80 HG 0.0218 -0.0040 -0.0126 844 GLN 81 N 0.0009 -0.0016 -0.0107 845 GLN 81 CA -0.0012 -0.0014 -0.0088 846 GLN 81 C -0.0012 0.0012 -0.0053 847 GLN 81 O 0.0014 0.0031 -0.0046 848 GLN 81 CB 0.0002 -0.0016 -0.0102 849 GLN 81 CG -0.0023 -0.0019 -0.0087 850 GLN 81 CD -0.0009 -0.0019 -0.0097 851 GLN 81 OE1 0.0023 -0.0006 -0.0105 852 GLN 81 NE2 -0.0032 -0.0032 -0.0098 853 GLN 81 H 0.0032 -0.0014 -0.0123 854 GLN 81 HA -0.0039 -0.0030 -0.0090 855 GLN 81 HB2 0.0005 -0.0033 -0.0128 856 GLN 81 HB3 0.0027 0.0001 -0.0098 857 GLN 81 HG2 -0.0028 -0.0003 -0.0060 858 GLN 81 HG3 -0.0047 -0.0037 -0.0093 859 GLN 81 HE21 -0.0057 -0.0041 -0.0092 860 GLN 81 HE22 -0.0024 -0.0032 -0.0104 861 GLU 82 N -0.0140 0.0025 -0.0106 862 GLU 82 CA -0.0124 -0.0002 -0.0063 863 GLU 82 C -0.0174 -0.0009 -0.0022 864 GLU 82 O -0.0172 -0.0030 0.0017 865 GLU 82 CB -0.0073 -0.0026 -0.0043 866 GLU 82 CG -0.0052 -0.0054 0.0001 867 GLU 82 CD -0.0001 -0.0075 0.0015 868 GLU 82 OE1 -0.0004 -0.0087 0.0040 869 GLU 82 OE2 0.0044 -0.0080 0.0002 870 GLU 82 H -0.0148 0.0042 -0.0135 871 GLU 82 HA -0.0115 0.0003 -0.0076 872 GLU 82 HB2 -0.0040 -0.0019 -0.0073 873 GLU 82 HB3 -0.0082 -0.0029 -0.0032 874 GLU 82 HG2 -0.0083 -0.0062 0.0033 875 GLU 82 HG3 -0.0044 -0.0051 -0.0009 876 GLU 83 N -0.0309 0.0073 0.0068 877 GLU 83 CA -0.0348 0.0113 0.0121 878 GLU 83 C -0.0463 0.0044 0.0058 879 GLU 83 O -0.0585 0.0068 0.0105 880 GLU 83 CB -0.0211 0.0139 0.0130 881 GLU 83 CG -0.0239 0.0182 0.0184 882 GLU 83 CD -0.0099 0.0215 0.0201 883 GLU 83 OE1 -0.0030 0.0155 0.0121 884 GLU 83 OE2 -0.0057 0.0304 0.0297 885 GLU 83 H -0.0279 0.0007 -0.0012 886 GLU 83 HA -0.0396 0.0179 0.0204 887 GLU 83 HB2 -0.0136 0.0190 0.0178 888 GLU 83 HB3 -0.0159 0.0073 0.0047 889 GLU 83 HG2 -0.0303 0.0128 0.0131 890 GLU 83 HG3 -0.0300 0.0243 0.0264 891 ALA 84 N -0.0568 0.0070 0.0084 892 ALA 84 CA -0.0731 0.0051 -0.0030 893 ALA 84 C -0.0739 0.0029 -0.0166 894 ALA 84 O -0.0831 0.0006 -0.0306 895 ALA 84 CB -0.0732 0.0036 -0.0121 896 ALA 84 H -0.0451 0.0063 0.0036 897 ALA 84 HA -0.0848 0.0065 0.0057 898 ALA 84 HB1 -0.0852 0.0022 -0.0206 899 ALA 84 HB2 -0.0611 0.0023 -0.0203 900 ALA 84 HB3 -0.0739 0.0053 -0.0020 901 GLU 85 N -0.0436 0.0012 -0.0036 902 GLU 85 CA -0.0389 0.0034 -0.0061 903 GLU 85 C -0.0321 0.0019 -0.0000 904 GLU 85 O -0.0263 0.0030 0.0004 905 GLU 85 CB -0.0357 0.0076 -0.0135 906 GLU 85 CG -0.0320 0.0103 -0.0175 907 GLU 85 CD -0.0238 0.0105 -0.0142 908 GLU 85 OE1 -0.0177 0.0127 -0.0160 909 GLU 85 OE2 -0.0233 0.0085 -0.0098 910 GLU 85 H -0.0414 -0.0005 0.0009 911 GLU 85 HA -0.0424 0.0029 -0.0067 912 GLU 85 HB2 -0.0407 0.0082 -0.0171 913 GLU 85 HB3 -0.0313 0.0080 -0.0124 914 GLU 85 HG2 -0.0361 0.0090 -0.0165 915 GLU 85 HG3 -0.0321 0.0131 -0.0233 916 ARG 86 N -0.0348 0.0014 0.0246 917 ARG 86 CA -0.0394 -0.0009 0.0154 918 ARG 86 C -0.0289 -0.0005 0.0263 919 ARG 86 O -0.0126 -0.0033 0.0360 920 ARG 86 CB -0.0371 -0.0123 -0.0062 921 ARG 86 CG -0.0183 -0.0229 -0.0104 922 ARG 86 CD 0.0004 -0.0272 -0.0015 923 ARG 86 NE 0.0176 -0.0365 -0.0046 924 ARG 86 CZ 0.0360 -0.0406 0.0043 925 ARG 86 NH1 0.0402 -0.0367 0.0166 926 ARG 86 NH2 0.0500 -0.0487 0.0009 927 ARG 86 H -0.0212 -0.0033 0.0278 928 ARG 86 HA -0.0547 0.0061 0.0156 929 ARG 86 HB2 -0.0372 -0.0148 -0.0115 930 ARG 86 HB3 -0.0494 -0.0105 -0.0143 931 ARG 86 HG2 -0.0189 -0.0299 -0.0259 932 ARG 86 HG3 -0.0178 -0.0205 -0.0050 933 ARG 86 HD2 0.0008 -0.0200 0.0138 934 ARG 86 HD3 0.0007 -0.0305 -0.0082 935 ARG 86 HE 0.0148 -0.0397 -0.0140 936 ARG 86 HH11 0.0302 -0.0306 0.0198 937 ARG 86 HH12 0.0539 -0.0397 0.0234 938 ARG 86 HH21 0.0474 -0.0518 -0.0083 939 ARG 86 HH22 0.0640 -0.0519 0.0074 940 ALA 87 N -0.0138 -0.0147 0.0040 941 ALA 87 CA 0.0004 -0.0150 -0.0001 942 ALA 87 C 0.0060 -0.0284 -0.0051 943 ALA 87 O 0.0139 -0.0350 -0.0090 944 ALA 87 CB 0.0007 -0.0145 -0.0001 945 ALA 87 H -0.0208 -0.0205 0.0045 946 ALA 87 HA 0.0064 -0.0060 0.0004 947 ALA 87 HB1 -0.0055 -0.0232 -0.0005 948 ALA 87 HB2 -0.0033 -0.0049 0.0035 949 ALA 87 HB3 0.0112 -0.0150 -0.0032 950 ALA 88 N 0.0104 -0.0344 -0.0039 951 ALA 88 CA 0.0121 -0.0430 -0.0043 952 ALA 88 C 0.0129 -0.0358 -0.0056 953 ALA 88 O 0.0053 -0.0335 -0.0005 954 ALA 88 CB 0.0036 -0.0523 0.0024 955 ALA 88 H 0.0051 -0.0277 -0.0009 956 ALA 88 HA 0.0194 -0.0481 -0.0089 957 ALA 88 HB1 -0.0037 -0.0473 0.0070 958 ALA 88 HB2 0.0032 -0.0573 0.0031 959 ALA 88 HB3 0.0053 -0.0588 0.0018 960 GLY 89 N -0.0009 -0.0206 -0.0209 961 GLY 89 CA -0.0011 -0.0129 -0.0234 962 GLY 89 C -0.0138 -0.0130 -0.0311 963 GLY 89 O -0.0211 -0.0089 -0.0368 964 GLY 89 H -0.0078 -0.0271 -0.0231 965 GLY 89 HA2 0.0029 -0.0027 -0.0241 966 GLY 89 HA3 0.0038 -0.0170 -0.0191 967 MET 90 N -0.0141 -0.0042 -0.0550 968 MET 90 CA -0.0140 -0.0060 -0.0406 969 MET 90 C -0.0173 -0.0147 -0.0272 970 MET 90 O -0.0137 -0.0087 -0.0177 971 MET 90 CB -0.0063 0.0091 -0.0346 972 MET 90 CG -0.0056 0.0085 -0.0216 973 MET 90 SD -0.0086 -0.0004 -0.0023 974 MET 90 CE -0.0063 0.0026 0.0093 975 MET 90 H -0.0170 -0.0086 -0.0650 976 MET 90 HA -0.0174 -0.0126 -0.0442 977 MET 90 HB2 -0.0039 0.0153 -0.0449 978 MET 90 HB3 -0.0031 0.0149 -0.0297 979 MET 90 HG2 -0.0088 0.0027 -0.0264 980 MET 90 HG3 -0.0000 0.0196 -0.0194 981 MET 90 HE1 -0.0092 -0.0024 0.0035 982 MET 90 HE2 -0.0077 -0.0021 0.0214 983 MET 90 HE3 -0.0006 0.0143 0.0101 984 GLY 91 N -0.0443 -0.0085 -0.0185 985 GLY 91 CA -0.0466 -0.0318 0.0019 986 GLY 91 C -0.0376 -0.0203 -0.0076 987 GLY 91 O -0.0627 -0.0196 -0.0100 988 GLY 91 H -0.0609 0.0080 -0.0343 989 GLY 91 HA2 -0.0261 -0.0479 0.0176 990 GLY 91 HA3 -0.0756 -0.0416 0.0087 991 SER 92 N 0.0419 0.0009 -0.0346 992 SER 92 CA 0.0422 -0.0158 -0.0044 993 SER 92 C 0.0231 -0.0028 -0.0053 994 SER 92 O -0.0074 0.0169 -0.0044 995 SER 92 CB 0.0267 -0.0242 0.0297 996 SER 92 OG 0.0452 -0.0363 0.0296 997 SER 92 H 0.0199 0.0167 -0.0371 998 SER 92 HA 0.0684 -0.0325 -0.0054 999 SER 92 HB2 0.0005 -0.0077 0.0311 1000 SER 92 HB3 0.0282 -0.0377 0.0527 1001 SER 92 HG 0.0596 -0.0327 0.0056 1002 TYR 93 N -0.0046 0.0111 0.0146 1003 TYR 93 CA -0.0086 0.0135 0.0200 1004 TYR 93 C -0.0029 0.0009 0.0436 1005 TYR 93 O 0.0073 -0.0115 0.0508 1006 TYR 93 CB 0.0019 0.0089 -0.0004 1007 TYR 93 CG -0.0028 0.0132 0.0008 1008 TYR 93 CD1 -0.0162 0.0298 -0.0095 1009 TYR 93 CD2 0.0061 0.0009 0.0123 1010 TYR 93 CE1 -0.0207 0.0340 -0.0085 1011 TYR 93 CE2 0.0017 0.0050 0.0134 1012 TYR 93 CZ -0.0116 0.0215 0.0030 1013 TYR 93 OH -0.0161 0.0257 0.0042 1014 TYR 93 H 0.0077 -0.0004 0.0110 1015 TYR 93 HA -0.0224 0.0270 0.0216 1016 TYR 93 HB2 -0.0004 0.0161 -0.0173 1017 TYR 93 HB3 0.0156 -0.0051 -0.0002 1018 TYR 93 HD1 -0.0233 0.0395 -0.0186 1019 TYR 93 HD2 0.0166 -0.0121 0.0205 1020 TYR 93 HE1 -0.0312 0.0470 -0.0167 1021 TYR 93 HE2 0.0088 -0.0047 0.0224 1022 TYR 93 HH -0.0174 0.0221 0.0208 1023 VAL 94 N -0.0069 0.0166 0.0395 1024 VAL 94 CA -0.0008 0.0330 0.0206 1025 VAL 94 C -0.0108 0.0529 0.0232 1026 VAL 94 O -0.0121 0.0498 0.0270 1027 VAL 94 CB 0.0160 0.0222 0.0030 1028 VAL 94 CG1 0.0180 0.0094 0.0077 1029 VAL 94 CG2 0.0221 0.0399 -0.0166 1030 VAL 94 H -0.0011 0.0011 0.0404 1031 VAL 94 HA -0.0012 0.0401 0.0169 1032 VAL 94 HB 0.0224 0.0101 0.0009 1033 VAL 94 HG11 0.0296 0.0023 -0.0048 1034 VAL 94 HG12 0.0113 0.0208 0.0105 1035 VAL 94 HG13 0.0144 -0.0039 0.0209 1036 VAL 94 HG21 0.0155 0.0527 -0.0147 1037 VAL 94 HG22 0.0335 0.0320 -0.0284 1038 VAL 94 HG23 0.0216 0.0475 -0.0205