1 PRO 42 N 0.0158 -0.0115 0.0077 2 PRO 42 CA 0.0149 -0.0060 0.0043 3 PRO 42 C 0.0100 -0.0051 0.0006 4 PRO 42 O 0.0090 -0.0067 0.0008 5 PRO 42 CB 0.0199 -0.0018 0.0054 6 PRO 42 CG 0.0218 -0.0048 0.0082 7 PRO 42 CD 0.0202 -0.0109 0.0103 8 PRO 42 H 0.0162 -0.0137 0.0091 9 PRO 42 HA 0.0141 -0.0056 0.0036 10 PRO 42 HB3 0.0227 -0.0009 0.0068 11 PRO 42 HB2 0.0193 0.0022 0.0029 12 PRO 42 HG3 0.0260 -0.0033 0.0102 13 PRO 42 HG2 0.0198 -0.0043 0.0066 14 PRO 42 HD2 0.0189 -0.0136 0.0109 15 PRO 42 HD3 0.0235 -0.0122 0.0131 16 ARG 43 N 0.0070 -0.0022 -0.0029 17 ARG 43 CA 0.0022 -0.0013 -0.0065 18 ARG 43 C 0.0033 0.0025 -0.0077 19 ARG 43 O 0.0006 0.0012 -0.0089 20 ARG 43 CB -0.0008 0.0013 -0.0098 21 ARG 43 CG -0.0062 0.0019 -0.0137 22 ARG 43 CD -0.0090 0.0051 -0.0172 23 ARG 43 NE -0.0065 0.0111 -0.0187 24 ARG 43 CZ -0.0088 0.0154 -0.0224 25 ARG 43 NH1 -0.0140 0.0145 -0.0254 26 ARG 43 NH2 -0.0059 0.0206 -0.0232 27 ARG 43 H 0.0080 -0.0009 -0.0029 28 ARG 43 HA -0.0003 -0.0053 -0.0061 29 ARG 43 HB3 0.0016 0.0053 -0.0103 30 ARG 43 HB2 -0.0014 -0.0013 -0.0089 31 ARG 43 HG3 -0.0087 -0.0021 -0.0133 32 ARG 43 HG2 -0.0055 0.0043 -0.0145 33 ARG 43 HD3 -0.0084 0.0038 -0.0162 34 ARG 43 HD2 -0.0132 0.0039 -0.0193 35 ARG 43 HH22 -0.0073 0.0240 -0.0259 36 ARG 43 HH21 -0.0020 0.0213 -0.0210 37 ARG 43 HH12 -0.0159 0.0176 -0.0282 38 ARG 43 HH11 -0.0162 0.0107 -0.0249 39 ARG 43 HE -0.0026 0.0121 -0.0166 40 THR 44 N 0.0062 0.0040 -0.0072 41 THR 44 CA 0.0067 0.0056 -0.0075 42 THR 44 C 0.0089 0.0057 -0.0051 43 THR 44 O 0.0104 0.0065 -0.0039 44 THR 44 CB 0.0067 0.0086 -0.0091 45 THR 44 OG1 0.0047 0.0085 -0.0112 46 THR 44 CG2 0.0072 0.0104 -0.0095 47 THR 44 H 0.0072 0.0047 -0.0065 48 THR 44 HA 0.0056 0.0046 -0.0082 49 THR 44 HB 0.0079 0.0096 -0.0083 50 THR 44 HG1 0.0038 0.0078 -0.0120 51 THR 44 HG21 0.0071 0.0125 -0.0107 52 THR 44 HG22 0.0088 0.0108 -0.0079 53 THR 44 HG23 0.0062 0.0095 -0.0102 54 VAL 45 N 0.0091 0.0049 -0.0045 55 VAL 45 CA 0.0111 0.0049 -0.0023 56 VAL 45 C 0.0114 0.0066 -0.0027 57 VAL 45 O 0.0100 0.0070 -0.0046 58 VAL 45 CB 0.0109 0.0018 -0.0008 59 VAL 45 CG1 0.0106 0.0002 -0.0004 60 VAL 45 CG2 0.0094 0.0003 -0.0018 61 VAL 45 H 0.0078 0.0042 -0.0056 62 VAL 45 HA 0.0124 0.0059 -0.0013 63 VAL 45 HB 0.0125 0.0019 0.0008 64 VAL 45 HG11 0.0108 -0.0018 0.0009 65 VAL 45 HG12 0.0116 0.0013 0.0002 66 VAL 45 HG13 0.0090 -0.0003 -0.0019 67 VAL 45 HG21 0.0094 -0.0018 -0.0006 68 VAL 45 HG22 0.0078 0.0001 -0.0035 69 VAL 45 HG23 0.0097 0.0013 -0.0019 70 MET 46 N 0.0114 0.0032 0.0013 71 MET 46 CA 0.0116 0.0036 0.0012 72 MET 46 C 0.0113 0.0023 0.0019 73 MET 46 O 0.0116 0.0015 0.0032 74 MET 46 CB 0.0127 0.0049 0.0020 75 MET 46 CG 0.0131 0.0064 0.0011 76 MET 46 SD 0.0144 0.0079 0.0020 77 MET 46 CE 0.0150 0.0075 0.0035 78 MET 46 H 0.0120 0.0031 0.0024 79 MET 46 HA 0.0112 0.0040 0.0001 80 MET 46 HB3 0.0129 0.0050 0.0021 81 MET 46 HB2 0.0132 0.0046 0.0031 82 MET 46 HG3 0.0130 0.0063 0.0010 83 MET 46 HG2 0.0126 0.0067 0.0000 84 MET 46 HE1 0.0159 0.0085 0.0040 85 MET 46 HE2 0.0148 0.0075 0.0031 86 MET 46 HE3 0.0149 0.0065 0.0043 87 VAL 47 N 0.0107 0.0021 0.0012 88 VAL 47 CA 0.0105 0.0009 0.0018 89 VAL 47 C 0.0109 0.0017 0.0017 90 VAL 47 O 0.0106 0.0025 0.0006 91 VAL 47 CB 0.0093 -0.0003 0.0009 92 VAL 47 CG1 0.0089 -0.0014 0.0014 93 VAL 47 CG2 0.0089 -0.0011 0.0009 94 VAL 47 H 0.0105 0.0027 0.0002 95 VAL 47 HA 0.0108 0.0004 0.0029 96 VAL 47 HB 0.0089 0.0003 -0.0003 97 VAL 47 HG11 0.0081 -0.0023 0.0008 98 VAL 47 HG12 0.0091 -0.0010 0.0013 99 VAL 47 HG13 0.0093 -0.0020 0.0026 100 VAL 47 HG21 0.0081 -0.0020 0.0004 101 VAL 47 HG22 0.0093 -0.0015 0.0020 102 VAL 47 HG23 0.0089 -0.0003 0.0003 103 ASN 48 N 0.0103 0.0014 0.0092 104 ASN 48 CA 0.0102 0.0007 0.0107 105 ASN 48 C 0.0105 -0.0017 0.0104 106 ASN 48 O 0.0106 -0.0030 0.0107 107 ASN 48 CB 0.0097 0.0013 0.0131 108 ASN 48 CG 0.0095 0.0012 0.0148 109 ASN 48 OD1 0.0096 0.0001 0.0146 110 ASN 48 ND2 0.0091 0.0024 0.0165 111 ASN 48 H 0.0102 0.0015 0.0098 112 ASN 48 HA 0.0101 0.0016 0.0103 113 ASN 48 HB3 0.0098 0.0002 0.0136 114 ASN 48 HB2 0.0096 0.0029 0.0131 115 ASN 48 HD22 0.0089 0.0023 0.0177 116 ASN 48 HD21 0.0090 0.0032 0.0168 117 LEU 49 N 0.0106 -0.0024 0.0097 118 LEU 49 CA 0.0110 -0.0046 0.0091 119 LEU 49 C 0.0108 -0.0061 0.0111 120 LEU 49 O 0.0111 -0.0081 0.0108 121 LEU 49 CB 0.0112 -0.0046 0.0075 122 LEU 49 CG 0.0115 -0.0037 0.0052 123 LEU 49 CD1 0.0117 -0.0040 0.0037 124 LEU 49 CD2 0.0117 -0.0047 0.0042 125 LEU 49 H 0.0105 -0.0012 0.0096 126 LEU 49 HA 0.0112 -0.0054 0.0084 127 LEU 49 HB3 0.0114 -0.0063 0.0073 128 LEU 49 HB2 0.0110 -0.0037 0.0082 129 LEU 49 HG 0.0113 -0.0019 0.0053 130 LEU 49 HD11 0.0120 -0.0040 0.0020 131 LEU 49 HD12 0.0116 -0.0027 0.0039 132 LEU 49 HD13 0.0118 -0.0056 0.0041 133 LEU 49 HD21 0.0120 -0.0044 0.0024 134 LEU 49 HD22 0.0119 -0.0065 0.0044 135 LEU 49 HD23 0.0116 -0.0040 0.0048 136 ASN 50 N 0.0067 -0.0061 0.0138 137 ASN 50 CA 0.0055 -0.0073 0.0150 138 ASN 50 C 0.0047 -0.0075 0.0162 139 ASN 50 O 0.0042 -0.0064 0.0176 140 ASN 50 CB 0.0051 -0.0065 0.0160 141 ASN 50 CG 0.0056 -0.0068 0.0150 142 ASN 50 OD1 0.0061 -0.0081 0.0137 143 ASN 50 ND2 0.0056 -0.0057 0.0156 144 ASN 50 H 0.0070 -0.0047 0.0140 145 ASN 50 HA 0.0055 -0.0087 0.0143 146 ASN 50 HB3 0.0042 -0.0073 0.0171 147 ASN 50 HB2 0.0053 -0.0050 0.0166 148 ASN 50 HD22 0.0059 -0.0060 0.0150 149 ASN 50 HD21 0.0052 -0.0048 0.0167 150 ILE 51 N 0.0046 -0.0090 0.0156 151 ILE 51 CA 0.0040 -0.0094 0.0164 152 ILE 51 C 0.0027 -0.0096 0.0184 153 ILE 51 O 0.0021 -0.0106 0.0188 154 ILE 51 CB 0.0040 -0.0113 0.0155 155 ILE 51 CG1 0.0052 -0.0112 0.0135 156 ILE 51 CG2 0.0033 -0.0118 0.0163 157 ILE 51 CD1 0.0053 -0.0131 0.0124 158 ILE 51 H 0.0051 -0.0097 0.0144 159 ILE 51 HA 0.0044 -0.0081 0.0163 160 ILE 51 HB 0.0036 -0.0125 0.0155 161 ILE 51 HG13 0.0058 -0.0104 0.0130 162 ILE 51 HG12 0.0056 -0.0103 0.0134 163 ILE 51 HG21 0.0034 -0.0131 0.0155 164 ILE 51 HG22 0.0024 -0.0122 0.0176 165 ILE 51 HG23 0.0036 -0.0107 0.0164 166 ILE 51 HD11 0.0062 -0.0130 0.0111 167 ILE 51 HD12 0.0052 -0.0139 0.0122 168 ILE 51 HD13 0.0047 -0.0141 0.0129 169 HIS 52 N -0.0010 -0.0083 0.0165 170 HIS 52 CA -0.0019 -0.0082 0.0170 171 HIS 52 C -0.0015 -0.0083 0.0168 172 HIS 52 O -0.0006 -0.0078 0.0162 173 HIS 52 CB -0.0028 -0.0070 0.0171 174 HIS 52 CG -0.0036 -0.0071 0.0175 175 HIS 52 ND1 -0.0035 -0.0080 0.0177 176 HIS 52 CD2 -0.0045 -0.0062 0.0178 177 HIS 52 CE1 -0.0044 -0.0078 0.0181 178 HIS 52 NE2 -0.0050 -0.0067 0.0181 179 HIS 52 H -0.0005 -0.0075 0.0161 180 HIS 52 HA -0.0024 -0.0091 0.0174 181 HIS 52 HB3 -0.0033 -0.0069 0.0174 182 HIS 52 HB2 -0.0023 -0.0062 0.0167 183 HIS 52 HD1 -0.0029 -0.0088 0.0176 184 HIS 52 HD2 -0.0048 -0.0053 0.0177 185 HIS 52 HE1 -0.0045 -0.0084 0.0183 186 ASN 53 N -0.0020 -0.0091 0.0172 187 ASN 53 CA -0.0017 -0.0092 0.0171 188 ASN 53 C -0.0025 -0.0082 0.0172 189 ASN 53 O -0.0035 -0.0082 0.0178 190 ASN 53 CB -0.0018 -0.0106 0.0174 191 ASN 53 CG -0.0008 -0.0115 0.0171 192 ASN 53 OD1 -0.0002 -0.0122 0.0170 193 ASN 53 ND2 -0.0005 -0.0116 0.0170 194 ASN 53 H -0.0027 -0.0094 0.0176 195 ASN 53 HA -0.0008 -0.0090 0.0166 196 ASN 53 HB3 -0.0019 -0.0106 0.0175 197 ASN 53 HB2 -0.0026 -0.0109 0.0179 198 ASN 53 HD22 0.0002 -0.0123 0.0169 199 ASN 53 HD21 -0.0009 -0.0111 0.0171 200 ARG 54 N -0.0001 -0.0022 0.0118 201 ARG 54 CA 0.0005 -0.0032 0.0105 202 ARG 54 C 0.0022 -0.0040 0.0101 203 ARG 54 O 0.0022 -0.0045 0.0092 204 ARG 54 CB -0.0011 -0.0038 0.0091 205 ARG 54 CG -0.0007 -0.0050 0.0075 206 ARG 54 CD -0.0003 -0.0051 0.0075 207 ARG 54 NE -0.0020 -0.0046 0.0077 208 ARG 54 CZ -0.0022 -0.0043 0.0081 209 ARG 54 NH1 -0.0007 -0.0045 0.0082 210 ARG 54 NH2 -0.0038 -0.0037 0.0083 211 ARG 54 H -0.0006 -0.0023 0.0115 212 ARG 54 HA 0.0008 -0.0031 0.0109 213 ARG 54 HB3 -0.0016 -0.0038 0.0089 214 ARG 54 HB2 -0.0023 -0.0033 0.0095 215 ARG 54 HG3 0.0005 -0.0056 0.0071 216 ARG 54 HG2 -0.0019 -0.0054 0.0067 217 ARG 54 HD3 0.0007 -0.0047 0.0085 218 ARG 54 HD2 0.0003 -0.0060 0.0065 219 ARG 54 HH22 -0.0041 -0.0035 0.0086 220 ARG 54 HH21 -0.0049 -0.0035 0.0083 221 ARG 54 HH12 -0.0007 -0.0043 0.0085 222 ARG 54 HH11 0.0006 -0.0050 0.0080 223 ARG 54 HE -0.0032 -0.0044 0.0075 224 ASN 55 N 0.0038 -0.0039 0.0107 225 ASN 55 CA 0.0057 -0.0047 0.0102 226 ASN 55 C 0.0065 -0.0046 0.0107 227 ASN 55 O 0.0079 -0.0053 0.0101 228 ASN 55 CB 0.0057 -0.0059 0.0085 229 ASN 55 CG 0.0051 -0.0061 0.0079 230 ASN 55 OD1 0.0043 -0.0054 0.0087 231 ASN 55 ND2 0.0055 -0.0072 0.0065 232 ASN 55 H 0.0037 -0.0034 0.0115 233 ASN 55 HA 0.0066 -0.0044 0.0109 234 ASN 55 HB3 0.0071 -0.0064 0.0082 235 ASN 55 HB2 0.0049 -0.0062 0.0077 236 ASN 55 HD22 0.0051 -0.0074 0.0061 237 ASN 55 HD21 0.0062 -0.0078 0.0058 238 THR 56 N -0.0009 -0.0012 0.0087 239 THR 56 CA -0.0003 0.0004 0.0103 240 THR 56 C 0.0003 0.0021 0.0093 241 THR 56 O 0.0008 0.0035 0.0105 242 THR 56 CB -0.0006 -0.0008 0.0123 243 THR 56 OG1 -0.0011 -0.0022 0.0114 244 THR 56 CG2 -0.0010 -0.0023 0.0137 245 THR 56 H -0.0014 -0.0027 0.0091 246 THR 56 HA 0.0001 0.0013 0.0110 247 THR 56 HB -0.0001 0.0003 0.0135 248 THR 56 HG1 -0.0011 -0.0024 0.0126 249 THR 56 HG21 -0.0013 -0.0034 0.0148 250 THR 56 HG22 -0.0006 -0.0014 0.0146 251 THR 56 HG23 -0.0014 -0.0034 0.0126 252 TYR 66 N 0.0025 0.0070 -0.0075 253 TYR 66 CA 0.0018 0.0067 -0.0055 254 TYR 66 C 0.0010 0.0069 -0.0057 255 TYR 66 O -0.0005 0.0069 -0.0046 256 TYR 66 CB 0.0036 0.0061 -0.0038 257 TYR 66 CG 0.0045 0.0059 -0.0032 258 TYR 66 CD1 0.0033 0.0061 -0.0034 259 TYR 66 CD2 0.0065 0.0053 -0.0023 260 TYR 66 CE1 0.0042 0.0058 -0.0027 261 TYR 66 CE2 0.0074 0.0051 -0.0016 262 TYR 66 CZ 0.0062 0.0053 -0.0018 263 TYR 66 OH 0.0070 0.0050 -0.0012 264 TYR 66 H 0.0041 0.0068 -0.0077 265 TYR 66 HA 0.0005 0.0068 -0.0049 266 TYR 66 HB3 0.0030 0.0059 -0.0024 267 TYR 66 HB2 0.0049 0.0060 -0.0044 268 TYR 66 HD1 0.0018 0.0065 -0.0040 269 TYR 66 HD2 0.0074 0.0052 -0.0021 270 TYR 66 HE1 0.0033 0.0060 -0.0028 271 TYR 66 HE2 0.0089 0.0047 -0.0010 272 TYR 66 HH 0.0084 0.0047 -0.0005 273 TYR 67 N 0.0020 0.0071 -0.0072 274 TYR 67 CA 0.0013 0.0073 -0.0077 275 TYR 67 C -0.0010 0.0078 -0.0085 276 TYR 67 O -0.0020 0.0079 -0.0082 277 TYR 67 CB 0.0029 0.0073 -0.0092 278 TYR 67 CG 0.0028 0.0078 -0.0116 279 TYR 67 CD1 0.0033 0.0079 -0.0124 280 TYR 67 CD2 0.0021 0.0082 -0.0130 281 TYR 67 CE1 0.0031 0.0084 -0.0145 282 TYR 67 CE2 0.0019 0.0087 -0.0151 283 TYR 67 CZ 0.0024 0.0088 -0.0159 284 TYR 67 OH 0.0021 0.0093 -0.0180 285 TYR 67 H 0.0032 0.0071 -0.0081 286 TYR 67 HA 0.0012 0.0070 -0.0062 287 TYR 67 HB3 0.0045 0.0070 -0.0087 288 TYR 67 HB2 0.0027 0.0073 -0.0090 289 TYR 67 HD1 0.0039 0.0076 -0.0113 290 TYR 67 HD2 0.0018 0.0082 -0.0124 291 TYR 67 HE1 0.0036 0.0085 -0.0151 292 TYR 67 HE2 0.0014 0.0090 -0.0162 293 TYR 67 HH 0.0022 0.0095 -0.0189 294 ASN 68 N -0.0019 0.0059 -0.0134 295 ASN 68 CA -0.0043 0.0057 -0.0143 296 ASN 68 C -0.0058 0.0046 -0.0123 297 ASN 68 O -0.0079 0.0042 -0.0125 298 ASN 68 CB -0.0040 0.0063 -0.0159 299 ASN 68 CG -0.0033 0.0073 -0.0183 300 ASN 68 OD1 -0.0041 0.0075 -0.0194 301 ASN 68 ND2 -0.0017 0.0079 -0.0192 302 ASN 68 H -0.0007 0.0060 -0.0128 303 ASN 68 HA -0.0051 0.0058 -0.0153 304 ASN 68 HB3 -0.0057 0.0060 -0.0161 305 ASN 68 HB2 -0.0028 0.0063 -0.0150 306 ASN 68 HD22 -0.0011 0.0086 -0.0208 307 ASN 68 HD21 -0.0011 0.0078 -0.0184 308 ARG 69 N -0.0048 0.0043 -0.0106 309 ARG 69 CA -0.0061 0.0034 -0.0087 310 ARG 69 C -0.0067 0.0026 -0.0068 311 ARG 69 O -0.0080 0.0017 -0.0053 312 ARG 69 CB -0.0045 0.0033 -0.0076 313 ARG 69 CG -0.0040 0.0040 -0.0091 314 ARG 69 CD -0.0017 0.0042 -0.0082 315 ARG 69 NE -0.0018 0.0034 -0.0058 316 ARG 69 CZ 0.0001 0.0033 -0.0043 317 ARG 69 NH1 -0.0002 0.0025 -0.0021 318 ARG 69 NH2 0.0023 0.0041 -0.0051 319 ARG 69 H -0.0030 0.0047 -0.0106 320 ARG 69 HA -0.0078 0.0032 -0.0095 321 ARG 69 HB3 -0.0054 0.0026 -0.0061 322 ARG 69 HB2 -0.0028 0.0035 -0.0068 323 ARG 69 HG3 -0.0035 0.0047 -0.0108 324 ARG 69 HG2 -0.0055 0.0038 -0.0095 325 ARG 69 HD3 -0.0001 0.0047 -0.0085 326 ARG 69 HD2 -0.0016 0.0046 -0.0092 327 ARG 69 HH22 0.0038 0.0041 -0.0040 328 ARG 69 HH21 0.0026 0.0047 -0.0068 329 ARG 69 HH12 0.0012 0.0024 -0.0010 330 ARG 69 HH11 -0.0018 0.0019 -0.0015 331 ARG 69 HE -0.0034 0.0028 -0.0052 332 SER 70 N -0.0036 0.0015 -0.0028 333 SER 70 CA -0.0040 0.0008 -0.0023 334 SER 70 C -0.0054 0.0001 -0.0028 335 SER 70 O -0.0061 0.0004 -0.0038 336 SER 70 CB -0.0034 0.0016 -0.0027 337 SER 70 OG -0.0039 0.0010 -0.0025 338 SER 70 H -0.0032 0.0023 -0.0034 339 SER 70 HA -0.0036 0.0003 -0.0014 340 SER 70 HB3 -0.0036 0.0023 -0.0037 341 SER 70 HB2 -0.0024 0.0019 -0.0022 342 SER 70 HG -0.0033 0.0009 -0.0017 343 THR 71 N -0.0059 -0.0009 -0.0021 344 THR 71 CA -0.0072 -0.0016 -0.0024 345 THR 71 C -0.0075 -0.0011 -0.0033 346 THR 71 O -0.0086 -0.0014 -0.0039 347 THR 71 CB -0.0075 -0.0027 -0.0013 348 THR 71 OG1 -0.0068 -0.0027 -0.0007 349 THR 71 CG2 -0.0072 -0.0033 -0.0004 350 THR 71 H -0.0053 -0.0011 -0.0012 351 THR 71 HA -0.0078 -0.0017 -0.0029 352 THR 71 HB -0.0084 -0.0032 -0.0016 353 THR 71 HG1 -0.0073 -0.0027 -0.0011 354 THR 71 HG21 -0.0075 -0.0041 0.0004 355 THR 71 HG22 -0.0078 -0.0034 -0.0008 356 THR 71 HG23 -0.0062 -0.0029 0.0000 357 SER 72 N -0.0033 0.0001 0.0008 358 SER 72 CA -0.0037 0.0007 0.0000 359 SER 72 C -0.0032 0.0020 -0.0002 360 SER 72 O -0.0027 0.0025 -0.0001 361 SER 72 CB -0.0036 0.0004 0.0003 362 SER 72 OG -0.0027 0.0004 0.0011 363 SER 72 H -0.0025 0.0004 0.0013 364 SER 72 HA -0.0044 0.0005 -0.0005 365 SER 72 HB3 -0.0041 -0.0004 0.0003 366 SER 72 HB2 -0.0038 0.0009 -0.0002 367 SER 72 HG -0.0023 0.0011 0.0011 368 PRO 73 N -0.0033 0.0024 -0.0005 369 PRO 73 CA -0.0027 0.0035 -0.0007 370 PRO 73 C -0.0030 0.0044 -0.0015 371 PRO 73 O -0.0038 0.0042 -0.0021 372 PRO 73 CB -0.0029 0.0035 -0.0008 373 PRO 73 CG -0.0039 0.0027 -0.0013 374 PRO 73 CD -0.0039 0.0018 -0.0008 375 PRO 73 HA -0.0020 0.0036 -0.0001 376 PRO 73 HB3 -0.0024 0.0032 -0.0002 377 PRO 73 HB2 -0.0027 0.0043 -0.0012 378 PRO 73 HG3 -0.0040 0.0023 -0.0012 379 PRO 73 HG2 -0.0044 0.0031 -0.0020 380 PRO 73 HD2 -0.0047 0.0014 -0.0012 381 PRO 73 HD3 -0.0037 0.0012 -0.0002 382 TRP 74 N 0.0011 0.0092 0.0011 383 TRP 74 CA 0.0002 0.0085 0.0022 384 TRP 74 C 0.0007 0.0098 0.0015 385 TRP 74 O 0.0019 0.0110 0.0001 386 TRP 74 CB 0.0003 0.0057 0.0022 387 TRP 74 CG 0.0020 0.0044 0.0006 388 TRP 74 CD1 0.0026 0.0039 -0.0000 389 TRP 74 CD2 0.0032 0.0035 -0.0007 390 TRP 74 NE1 0.0041 0.0027 -0.0016 391 TRP 74 CE2 0.0046 0.0024 -0.0021 392 TRP 74 CE3 0.0034 0.0035 -0.0009 393 TRP 74 CZ2 0.0060 0.0013 -0.0035 394 TRP 74 CZ3 0.0048 0.0025 -0.0023 395 TRP 74 CH2 0.0061 0.0013 -0.0036 396 TRP 74 H 0.0024 0.0095 -0.0002 397 TRP 74 HA -0.0012 0.0090 0.0035 398 TRP 74 HB3 -0.0002 0.0049 0.0028 399 TRP 74 HB2 -0.0006 0.0051 0.0032 400 TRP 74 HD1 0.0019 0.0043 0.0006 401 TRP 74 HE1 0.0048 0.0020 -0.0022 402 TRP 74 HE3 0.0024 0.0044 0.0001 403 TRP 74 HZ2 0.0070 0.0004 -0.0045 404 TRP 74 HZ3 0.0049 0.0025 -0.0024 405 TRP 74 HH2 0.0072 0.0005 -0.0047 406 ASN 75 N -0.0004 0.0096 0.0026 407 ASN 75 CA -0.0000 0.0103 0.0022 408 ASN 75 C -0.0001 0.0081 0.0025 409 ASN 75 O -0.0011 0.0065 0.0037 410 ASN 75 CB -0.0013 0.0123 0.0035 411 ASN 75 CG -0.0014 0.0147 0.0034 412 ASN 75 OD1 -0.0001 0.0153 0.0020 413 ASN 75 ND2 -0.0028 0.0159 0.0048 414 ASN 75 H -0.0014 0.0086 0.0038 415 ASN 75 HA 0.0012 0.0110 0.0009 416 ASN 75 HB3 -0.0011 0.0128 0.0032 417 ASN 75 HB2 -0.0026 0.0116 0.0049 418 ASN 75 HD22 -0.0029 0.0175 0.0047 419 ASN 75 HD21 -0.0038 0.0154 0.0059 420 LEU 76 N 0.0064 0.0129 0.0055 421 LEU 76 CA 0.0060 0.0084 0.0061 422 LEU 76 C 0.0030 0.0108 0.0089 423 LEU 76 O 0.0033 0.0159 0.0082 424 LEU 76 CB 0.0104 0.0067 0.0020 425 LEU 76 CG 0.0135 0.0037 -0.0008 426 LEU 76 CD1 0.0179 0.0026 -0.0049 427 LEU 76 CD2 0.0119 -0.0021 0.0011 428 LEU 76 H 0.0082 0.0162 0.0035 429 LEU 76 HA 0.0047 0.0045 0.0076 430 LEU 76 HB3 0.0099 0.0038 0.0026 431 LEU 76 HB2 0.0118 0.0106 0.0004 432 LEU 76 HG 0.0140 0.0066 -0.0015 433 LEU 76 HD11 0.0202 0.0009 -0.0071 434 LEU 76 HD12 0.0190 0.0066 -0.0063 435 LEU 76 HD13 0.0177 -0.0006 -0.0046 436 LEU 76 HD21 0.0144 -0.0055 -0.0011 437 LEU 76 HD22 0.0094 -0.0039 0.0035 438 LEU 76 HD23 0.0106 -0.0015 0.0023 439 HIS 77 N 0.0001 0.0072 0.0118 440 HIS 77 CA -0.0028 0.0085 0.0145 441 HIS 77 C -0.0021 0.0038 0.0141 442 HIS 77 O -0.0009 -0.0012 0.0133 443 HIS 77 CB -0.0074 0.0088 0.0189 444 HIS 77 CG -0.0083 0.0135 0.0195 445 HIS 77 ND1 -0.0068 0.0191 0.0176 446 HIS 77 CD2 -0.0105 0.0135 0.0216 447 HIS 77 CE1 -0.0082 0.0221 0.0188 448 HIS 77 NE2 -0.0106 0.0191 0.0213 449 HIS 77 H -0.0001 0.0031 0.0122 450 HIS 77 HA -0.0021 0.0127 0.0136 451 HIS 77 HB3 -0.0096 0.0095 0.0209 452 HIS 77 HB2 -0.0081 0.0046 0.0198 453 HIS 77 HD1 -0.0047 0.0205 0.0156 454 HIS 77 HD2 -0.0122 0.0099 0.0234 455 HIS 77 HE1 -0.0075 0.0267 0.0179 456 ARG 78 N 0.0006 0.0020 0.0196 457 ARG 78 CA -0.0017 0.0025 0.0202 458 ARG 78 C -0.0064 0.0018 0.0200 459 ARG 78 O -0.0083 0.0038 0.0219 460 ARG 78 CB -0.0006 0.0058 0.0232 461 ARG 78 CG -0.0020 0.0066 0.0240 462 ARG 78 CD -0.0006 0.0099 0.0270 463 ARG 78 NE -0.0024 0.0109 0.0281 464 ARG 78 CZ -0.0062 0.0118 0.0293 465 ARG 78 NH1 -0.0074 0.0125 0.0300 466 ARG 78 NH2 -0.0090 0.0121 0.0298 467 ARG 78 H 0.0008 0.0038 0.0213 468 ARG 78 HA -0.0005 0.0009 0.0186 469 ARG 78 HB3 -0.0020 0.0074 0.0248 470 ARG 78 HB2 0.0028 0.0063 0.0234 471 ARG 78 HG3 -0.0003 0.0050 0.0224 472 ARG 78 HG2 -0.0053 0.0060 0.0238 473 ARG 78 HD3 -0.0009 0.0115 0.0286 474 ARG 78 HD2 0.0028 0.0099 0.0268 475 ARG 78 HH22 -0.0120 0.0126 0.0305 476 ARG 78 HH21 -0.0084 0.0116 0.0292 477 ARG 78 HH12 -0.0106 0.0125 0.0302 478 ARG 78 HH11 -0.0055 0.0126 0.0299 479 ARG 78 HE -0.0006 0.0105 0.0276 480 ASN 79 N -0.0080 -0.0008 0.0177 481 ASN 79 CA -0.0125 -0.0017 0.0172 482 ASN 79 C -0.0142 -0.0005 0.0184 483 ASN 79 O -0.0128 -0.0017 0.0172 484 ASN 79 CB -0.0129 -0.0052 0.0139 485 ASN 79 CG -0.0174 -0.0068 0.0128 486 ASN 79 OD1 -0.0203 -0.0056 0.0142 487 ASN 79 ND2 -0.0179 -0.0095 0.0103 488 ASN 79 H -0.0062 -0.0022 0.0163 489 ASN 79 HA -0.0142 -0.0006 0.0183 490 ASN 79 HB3 -0.0111 -0.0063 0.0128 491 ASN 79 HB2 -0.0115 -0.0059 0.0132 492 ASN 79 HD22 -0.0207 -0.0107 0.0095 493 ASN 79 HD21 -0.0153 -0.0107 0.0090 494 GLU 80 N -0.0164 -0.0008 0.0129 495 GLU 80 CA -0.0168 0.0018 0.0137 496 GLU 80 C -0.0198 0.0025 0.0122 497 GLU 80 O -0.0218 0.0022 0.0109 498 GLU 80 CB -0.0160 0.0046 0.0152 499 GLU 80 CG -0.0160 0.0074 0.0162 500 GLU 80 CD -0.0145 0.0098 0.0180 501 GLU 80 OE1 -0.0150 0.0106 0.0181 502 GLU 80 OE2 -0.0127 0.0107 0.0194 503 GLU 80 H -0.0178 -0.0006 0.0121 504 GLU 80 HA -0.0153 0.0013 0.0143 505 GLU 80 HB3 -0.0174 0.0053 0.0146 506 GLU 80 HB2 -0.0138 0.0040 0.0162 507 GLU 80 HG3 -0.0150 0.0066 0.0165 508 GLU 80 HG2 -0.0182 0.0084 0.0154 509 ASP 81 N -0.0200 0.0034 0.0124 510 ASP 81 CA -0.0225 0.0039 0.0112 511 ASP 81 C -0.0220 0.0063 0.0124 512 ASP 81 O -0.0202 0.0055 0.0131 513 ASP 81 CB -0.0230 0.0009 0.0097 514 ASP 81 CG -0.0255 0.0008 0.0083 515 ASP 81 OD1 -0.0268 0.0032 0.0084 516 ASP 81 OD2 -0.0259 -0.0018 0.0070 517 ASP 81 H -0.0181 0.0035 0.0135 518 ASP 81 HA -0.0243 0.0048 0.0105 519 ASP 81 HB3 -0.0211 -0.0002 0.0104 520 ASP 81 HB2 -0.0231 -0.0007 0.0090 521 PRO 82 N -0.0179 0.0104 -0.0004 522 PRO 82 CA -0.0141 0.0104 -0.0021 523 PRO 82 C -0.0116 0.0077 -0.0001 524 PRO 82 O -0.0081 0.0072 -0.0011 525 PRO 82 CB -0.0148 0.0129 -0.0044 526 PRO 82 CG -0.0187 0.0131 -0.0030 527 PRO 82 CD -0.0208 0.0122 -0.0012 528 PRO 82 HA -0.0125 0.0109 -0.0032 529 PRO 82 HB3 -0.0150 0.0148 -0.0065 530 PRO 82 HB2 -0.0127 0.0126 -0.0051 531 PRO 82 HG3 -0.0202 0.0151 -0.0046 532 PRO 82 HG2 -0.0184 0.0115 -0.0015 533 PRO 82 HD2 -0.0229 0.0112 0.0008 534 PRO 82 HD3 -0.0223 0.0140 -0.0025 535 GLU 83 N -0.0134 0.0059 0.0026 536 GLU 83 CA -0.0116 0.0032 0.0048 537 GLU 83 C -0.0103 0.0009 0.0068 538 GLU 83 O -0.0090 -0.0015 0.0089 539 GLU 83 CB -0.0143 0.0026 0.0066 540 GLU 83 CG -0.0149 0.0045 0.0047 541 GLU 83 CD -0.0112 0.0041 0.0036 542 GLU 83 OE1 -0.0095 0.0018 0.0055 543 GLU 83 OE2 -0.0099 0.0062 0.0008 544 GLU 83 H -0.0162 0.0063 0.0034 545 GLU 83 HA -0.0090 0.0033 0.0036 546 GLU 83 HB3 -0.0133 0.0004 0.0086 547 GLU 83 HB2 -0.0171 0.0029 0.0075 548 GLU 83 HG3 -0.0169 0.0041 0.0061 549 GLU 83 HG2 -0.0160 0.0067 0.0029 550 ARG 84 N -0.0128 -0.0010 0.0070 551 ARG 84 CA -0.0120 -0.0024 0.0080 552 ARG 84 C -0.0105 -0.0020 0.0090 553 ARG 84 O -0.0102 -0.0010 0.0089 554 ARG 84 CB -0.0130 -0.0039 0.0078 555 ARG 84 CG -0.0125 -0.0057 0.0087 556 ARG 84 CD -0.0135 -0.0070 0.0084 557 ARG 84 NE -0.0133 -0.0068 0.0084 558 ARG 84 CZ -0.0143 -0.0073 0.0079 559 ARG 84 NH1 -0.0140 -0.0069 0.0080 560 ARG 84 NH2 -0.0156 -0.0082 0.0072 561 ARG 84 H -0.0129 -0.0006 0.0068 562 ARG 84 HA -0.0120 -0.0027 0.0081 563 ARG 84 HB3 -0.0130 -0.0036 0.0077 564 ARG 84 HB2 -0.0141 -0.0040 0.0070 565 ARG 84 HG3 -0.0125 -0.0061 0.0088 566 ARG 84 HG2 -0.0114 -0.0056 0.0094 567 ARG 84 HD3 -0.0146 -0.0069 0.0075 568 ARG 84 HD2 -0.0135 -0.0083 0.0088 569 ARG 84 HH22 -0.0163 -0.0085 0.0068 570 ARG 84 HH21 -0.0160 -0.0084 0.0070 571 ARG 84 HH12 -0.0147 -0.0074 0.0077 572 ARG 84 HH11 -0.0132 -0.0059 0.0083 573 ARG 84 HE -0.0123 -0.0063 0.0090 574 PRO 86 N -0.0110 -0.0058 0.0098 575 PRO 86 CA -0.0099 -0.0043 0.0110 576 PRO 86 C -0.0113 -0.0034 0.0113 577 PRO 86 O -0.0123 -0.0044 0.0104 578 PRO 86 CB -0.0078 -0.0054 0.0108 579 PRO 86 CG -0.0074 -0.0072 0.0098 580 PRO 86 CD -0.0097 -0.0077 0.0090 581 PRO 86 HA -0.0095 -0.0033 0.0117 582 PRO 86 HB3 -0.0064 -0.0046 0.0116 583 PRO 86 HB2 -0.0080 -0.0058 0.0105 584 PRO 86 HG3 -0.0067 -0.0069 0.0101 585 PRO 86 HG2 -0.0064 -0.0083 0.0093 586 PRO 86 HD2 -0.0103 -0.0084 0.0084 587 PRO 86 HD3 -0.0098 -0.0086 0.0084 588 SER 87 N -0.0114 -0.0015 0.0124 589 SER 87 CA -0.0127 -0.0005 0.0128 590 SER 87 C -0.0118 -0.0008 0.0128 591 SER 87 O -0.0130 -0.0010 0.0123 592 SER 87 CB -0.0130 0.0016 0.0140 593 SER 87 OG -0.0110 0.0024 0.0149 594 SER 87 H -0.0106 -0.0007 0.0131 595 SER 87 HA -0.0143 -0.0010 0.0121 596 SER 87 HB3 -0.0140 0.0018 0.0139 597 SER 87 HB2 -0.0140 0.0025 0.0143 598 SER 87 HG -0.0111 0.0035 0.0156 599 VAL 88 N -0.0103 -0.0025 0.0173 600 VAL 88 CA -0.0082 -0.0031 0.0173 601 VAL 88 C -0.0065 -0.0062 0.0153 602 VAL 88 O -0.0051 -0.0071 0.0149 603 VAL 88 CB -0.0052 -0.0010 0.0192 604 VAL 88 CG1 -0.0028 -0.0015 0.0192 605 VAL 88 CG2 -0.0068 0.0021 0.0212 606 VAL 88 H -0.0091 -0.0024 0.0176 607 VAL 88 HA -0.0098 -0.0028 0.0172 608 VAL 88 HB -0.0036 -0.0013 0.0192 609 VAL 88 HG11 -0.0009 0.0001 0.0206 610 VAL 88 HG12 -0.0012 -0.0036 0.0180 611 VAL 88 HG13 -0.0043 -0.0015 0.0190 612 VAL 88 HG21 -0.0047 0.0036 0.0225 613 VAL 88 HG22 -0.0084 0.0026 0.0212 614 VAL 88 HG23 -0.0084 0.0026 0.0213 615 ILE 89 N -0.0067 -0.0077 0.0142 616 ILE 89 CA -0.0048 -0.0105 0.0125 617 ILE 89 C -0.0030 -0.0102 0.0130 618 ILE 89 O -0.0043 -0.0086 0.0139 619 ILE 89 CB -0.0073 -0.0130 0.0104 620 ILE 89 CG1 -0.0088 -0.0134 0.0098 621 ILE 89 CG2 -0.0057 -0.0159 0.0086 622 ILE 89 CD1 -0.0117 -0.0155 0.0079 623 ILE 89 H -0.0079 -0.0068 0.0147 624 ILE 89 HA -0.0028 -0.0110 0.0125 625 ILE 89 HB -0.0095 -0.0122 0.0105 626 ILE 89 HG13 -0.0097 -0.0114 0.0111 627 ILE 89 HG12 -0.0066 -0.0143 0.0096 628 ILE 89 HG21 -0.0077 -0.0174 0.0072 629 ILE 89 HG22 -0.0048 -0.0156 0.0089 630 ILE 89 HG23 -0.0036 -0.0168 0.0082 631 ILE 89 HD11 -0.0133 -0.0151 0.0080 632 ILE 89 HD12 -0.0134 -0.0152 0.0078 633 ILE 89 HD13 -0.0106 -0.0177 0.0065 634 TRP 90 N 0.0031 -0.0073 0.0090 635 TRP 90 CA 0.0051 -0.0051 0.0093 636 TRP 90 C 0.0051 -0.0075 0.0078 637 TRP 90 O 0.0068 -0.0100 0.0054 638 TRP 90 CB 0.0093 -0.0033 0.0084 639 TRP 90 CG 0.0097 -0.0004 0.0100 640 TRP 90 CD1 0.0098 -0.0009 0.0097 641 TRP 90 CD2 0.0099 0.0035 0.0124 642 TRP 90 NE1 0.0102 0.0024 0.0116 643 TRP 90 CE2 0.0104 0.0052 0.0133 644 TRP 90 CE3 0.0099 0.0057 0.0138 645 TRP 90 CZ2 0.0109 0.0090 0.0154 646 TRP 90 CZ3 0.0105 0.0095 0.0159 647 TRP 90 CH2 0.0109 0.0112 0.0167 648 TRP 90 H 0.0041 -0.0095 0.0071 649 TRP 90 HA 0.0038 -0.0029 0.0114 650 TRP 90 HB3 0.0110 -0.0021 0.0084 651 TRP 90 HB2 0.0108 -0.0054 0.0064 652 TRP 90 HD1 0.0097 -0.0035 0.0081 653 TRP 90 HE1 0.0107 0.0027 0.0115 654 TRP 90 HE3 0.0096 0.0045 0.0132 655 TRP 90 HZ2 0.0113 0.0103 0.0160 656 TRP 90 HZ3 0.0105 0.0112 0.0169 657 TRP 90 HH2 0.0114 0.0141 0.0183 658 GLU 91 N 0.0032 -0.0068 0.0092 659 GLU 91 CA 0.0028 -0.0089 0.0081 660 GLU 91 C 0.0054 -0.0068 0.0082 661 GLU 91 O 0.0057 -0.0035 0.0101 662 GLU 91 CB -0.0015 -0.0097 0.0097 663 GLU 91 CG -0.0040 -0.0129 0.0089 664 GLU 91 CD -0.0083 -0.0130 0.0110 665 GLU 91 OE1 -0.0097 -0.0106 0.0132 666 GLU 91 OE2 -0.0102 -0.0154 0.0104 667 GLU 91 H 0.0020 -0.0046 0.0112 668 GLU 91 HA 0.0036 -0.0115 0.0061 669 GLU 91 HB3 -0.0019 -0.0104 0.0095 670 GLU 91 HB2 -0.0026 -0.0072 0.0118 671 GLU 91 HG3 -0.0028 -0.0129 0.0083 672 GLU 91 HG2 -0.0038 -0.0155 0.0072 673 ALA 92 N 0.0024 -0.0072 0.0042 674 ALA 92 CA 0.0038 -0.0047 0.0038 675 ALA 92 C -0.0009 -0.0040 0.0067 676 ALA 92 O -0.0039 -0.0082 0.0077 677 ALA 92 CB 0.0072 -0.0085 0.0011 678 ALA 92 H 0.0024 -0.0115 0.0033 679 ALA 92 HA 0.0058 -0.0006 0.0034 680 ALA 92 HB1 0.0083 -0.0069 0.0008 681 ALA 92 HB2 0.0106 -0.0089 -0.0010 682 ALA 92 HB3 0.0053 -0.0128 0.0014 683 LYS 93 N -0.0012 0.0011 0.0078 684 LYS 93 CA -0.0048 0.0023 0.0102 685 LYS 93 C -0.0018 0.0048 0.0089 686 LYS 93 O 0.0013 0.0089 0.0079 687 LYS 93 CB -0.0083 0.0065 0.0130 688 LYS 93 CG -0.0126 0.0080 0.0158 689 LYS 93 CD -0.0156 0.0125 0.0184 690 LYS 93 CE -0.0202 0.0138 0.0213 691 LYS 93 NZ -0.0228 0.0182 0.0237 692 LYS 93 H 0.0014 0.0044 0.0070 693 LYS 93 HA -0.0071 -0.0016 0.0108 694 LYS 93 HB3 -0.0060 0.0104 0.0124 695 LYS 93 HB2 -0.0098 0.0047 0.0136 696 LYS 93 HG3 -0.0150 0.0041 0.0165 697 LYS 93 HG2 -0.0111 0.0095 0.0152 698 LYS 93 HD3 -0.0131 0.0163 0.0176 699 LYS 93 HD2 -0.0167 0.0111 0.0188 700 LYS 93 HE3 -0.0228 0.0100 0.0221 701 LYS 93 HE2 -0.0192 0.0153 0.0210 702 LYS 93 HZ1 -0.0205 0.0218 0.0230 703 LYS 93 HZ2 -0.0259 0.0191 0.0257 704 LYS 93 HZ3 -0.0239 0.0169 0.0241 705 CYS 94 N -0.0021 0.0049 0.0018 706 CYS 94 CA -0.0021 0.0054 0.0017 707 CYS 94 C -0.0027 0.0064 0.0017 708 CYS 94 O -0.0032 0.0065 0.0022 709 CYS 94 CB -0.0024 0.0049 0.0022 710 CYS 94 SG -0.0021 0.0037 0.0024 711 CYS 94 H -0.0022 0.0044 0.0023 712 CYS 94 HA -0.0016 0.0055 0.0012 713 CYS 94 HB3 -0.0023 0.0051 0.0020 714 CYS 94 HB2 -0.0030 0.0050 0.0027 715 ARG 95 N -0.0025 0.0070 0.0013 716 ARG 95 CA -0.0029 0.0079 0.0013 717 ARG 95 C -0.0036 0.0082 0.0019 718 ARG 95 O -0.0041 0.0088 0.0020 719 ARG 95 CB -0.0025 0.0085 0.0006 720 ARG 95 CG -0.0018 0.0084 -0.0000 721 ARG 95 CD -0.0015 0.0091 -0.0007 722 ARG 95 NE -0.0007 0.0089 -0.0013 723 ARG 95 CZ -0.0002 0.0092 -0.0019 724 ARG 95 NH1 -0.0003 0.0098 -0.0022 725 ARG 95 NH2 0.0004 0.0089 -0.0024 726 ARG 95 H -0.0021 0.0069 0.0010 727 ARG 95 HA -0.0030 0.0081 0.0013 728 ARG 95 HB3 -0.0029 0.0092 0.0006 729 ARG 95 HB2 -0.0024 0.0084 0.0006 730 ARG 95 HG3 -0.0015 0.0078 -0.0000 731 ARG 95 HG2 -0.0019 0.0086 0.0000 732 ARG 95 HD3 -0.0017 0.0098 -0.0007 733 ARG 95 HD2 -0.0015 0.0091 -0.0007 734 ARG 95 HH22 0.0008 0.0091 -0.0029 735 ARG 95 HH21 0.0005 0.0083 -0.0022 736 ARG 95 HH12 0.0001 0.0100 -0.0027 737 ARG 95 HH11 -0.0007 0.0100 -0.0018 738 ARG 95 HE -0.0007 0.0085 -0.0012 739 HIS 96 N 0.0009 -0.0023 -0.0071 740 HIS 96 CA -0.0003 -0.0052 -0.0084 741 HIS 96 C 0.0010 -0.0026 -0.0086 742 HIS 96 O 0.0025 0.0010 -0.0064 743 HIS 96 CB -0.0028 -0.0085 -0.0048 744 HIS 96 CG -0.0042 -0.0109 -0.0039 745 HIS 96 ND1 -0.0053 -0.0141 -0.0069 746 HIS 96 CD2 -0.0047 -0.0103 -0.0002 747 HIS 96 CE1 -0.0063 -0.0153 -0.0051 748 HIS 96 NE2 -0.0059 -0.0130 -0.0010 749 HIS 96 H 0.0015 -0.0000 -0.0045 750 HIS 96 HA -0.0005 -0.0068 -0.0119 751 HIS 96 HB3 -0.0038 -0.0109 -0.0059 752 HIS 96 HB2 -0.0027 -0.0070 -0.0014 753 HIS 96 HD1 -0.0054 -0.0154 -0.0100 754 HIS 96 HD2 -0.0042 -0.0082 0.0029 755 HIS 96 HE1 -0.0073 -0.0178 -0.0067 756 LEU 97 N 0.0006 -0.0045 -0.0112 757 LEU 97 CA 0.0014 -0.0029 -0.0111 758 LEU 97 C -0.0002 -0.0043 -0.0067 759 LEU 97 O 0.0006 -0.0017 -0.0041 760 LEU 97 CB 0.0014 -0.0045 -0.0156 761 LEU 97 CG 0.0031 -0.0031 -0.0202 762 LEU 97 CD1 0.0026 -0.0056 -0.0246 763 LEU 97 CD2 0.0056 0.0017 -0.0205 764 LEU 97 H -0.0005 -0.0073 -0.0131 765 LEU 97 HA 0.0031 0.0006 -0.0108 766 LEU 97 HB3 0.0019 -0.0035 -0.0154 767 LEU 97 HB2 -0.0004 -0.0080 -0.0159 768 LEU 97 HG 0.0027 -0.0039 -0.0203 769 LEU 97 HD11 0.0038 -0.0045 -0.0279 770 LEU 97 HD12 0.0009 -0.0090 -0.0247 771 LEU 97 HD13 0.0028 -0.0054 -0.0247 772 LEU 97 HD21 0.0068 0.0026 -0.0242 773 LEU 97 HD22 0.0059 0.0031 -0.0186 774 LEU 97 HD23 0.0062 0.0034 -0.0191 775 GLY 98 N 0.0014 -0.0107 -0.0022 776 GLY 98 CA -0.0003 -0.0094 -0.0015 777 GLY 98 C -0.0025 -0.0096 -0.0012 778 GLY 98 O -0.0026 -0.0105 -0.0014 779 GLY 98 H 0.0016 -0.0122 -0.0026 780 GLY 98 HA3 -0.0005 -0.0101 -0.0016 781 GLY 98 HA2 0.0002 -0.0078 -0.0011 782 CYS 99 N -0.0043 -0.0089 -0.0006 783 CYS 99 CA -0.0065 -0.0090 -0.0003 784 CYS 99 C -0.0081 -0.0103 -0.0004 785 CYS 99 O -0.0078 -0.0102 -0.0004 786 CYS 99 CB -0.0074 -0.0067 0.0005 787 CYS 99 SG -0.0058 -0.0048 0.0008 788 CYS 99 H -0.0041 -0.0083 -0.0005 789 CYS 99 HA -0.0065 -0.0098 -0.0005 790 CYS 99 HB3 -0.0090 -0.0069 0.0008 791 CYS 99 HB2 -0.0076 -0.0060 0.0008 792 ILE 100 N -0.0088 -0.0146 -0.0057 793 ILE 100 CA -0.0073 -0.0141 -0.0054 794 ILE 100 C -0.0066 -0.0131 -0.0078 795 ILE 100 O -0.0081 -0.0133 -0.0095 796 ILE 100 CB -0.0085 -0.0149 -0.0043 797 ILE 100 CG1 -0.0096 -0.0160 -0.0021 798 ILE 100 CG2 -0.0070 -0.0144 -0.0038 799 ILE 100 CD1 -0.0079 -0.0158 -0.0001 800 ILE 100 H -0.0104 -0.0154 -0.0059 801 ILE 100 HA -0.0059 -0.0137 -0.0042 802 ILE 100 HB -0.0099 -0.0152 -0.0056 803 ILE 100 HG13 -0.0103 -0.0166 -0.0014 804 ILE 100 HG12 -0.0109 -0.0165 -0.0025 805 ILE 100 HG21 -0.0078 -0.0150 -0.0030 806 ILE 100 HG22 -0.0065 -0.0137 -0.0054 807 ILE 100 HG23 -0.0055 -0.0140 -0.0027 808 ILE 100 HD11 -0.0087 -0.0166 0.0015 809 ILE 100 HD12 -0.0065 -0.0153 0.0003 810 ILE 100 HD13 -0.0073 -0.0154 -0.0006 811 ASN 101 N -0.0045 -0.0120 -0.0079 812 ASN 101 CA -0.0035 -0.0110 -0.0100 813 ASN 101 C -0.0032 -0.0109 -0.0100 814 ASN 101 O -0.0037 -0.0116 -0.0084 815 ASN 101 CB -0.0013 -0.0100 -0.0102 816 ASN 101 CG 0.0007 -0.0095 -0.0085 817 ASN 101 OD1 0.0008 -0.0098 -0.0071 818 ASN 101 ND2 0.0025 -0.0086 -0.0086 819 ASN 101 H -0.0034 -0.0120 -0.0064 820 ASN 101 HA -0.0046 -0.0111 -0.0116 821 ASN 101 HB3 -0.0017 -0.0102 -0.0100 822 ASN 101 HB2 -0.0009 -0.0092 -0.0120 823 ASN 101 HD22 0.0039 -0.0082 -0.0077 824 ASN 101 HD21 0.0025 -0.0083 -0.0098 825 ALA 102 N 0.0127 -0.0203 -0.0225 826 ALA 102 CA 0.0197 -0.0166 -0.0258 827 ALA 102 C 0.0202 -0.0078 -0.0243 828 ALA 102 O 0.0249 -0.0038 -0.0262 829 ALA 102 CB 0.0231 -0.0203 -0.0285 830 ALA 102 H 0.0113 -0.0245 -0.0226 831 ALA 102 HA 0.0225 -0.0176 -0.0276 832 ALA 102 HB1 0.0283 -0.0177 -0.0310 833 ALA 102 HB2 0.0234 -0.0265 -0.0299 834 ALA 102 HB3 0.0204 -0.0196 -0.0268 835 GLY 104 N 0.0011 -0.0139 -0.0139 836 GLY 104 CA -0.0041 -0.0215 -0.0045 837 GLY 104 C 0.0005 -0.0224 0.0041 838 GLY 104 O -0.0013 -0.0279 0.0136 839 GLY 104 H -0.0025 -0.0129 -0.0212 840 GLY 104 HA3 -0.0035 -0.0230 -0.0002 841 GLY 104 HA2 -0.0124 -0.0253 -0.0077 842 ASN 105 N 0.0068 -0.0170 0.0012 843 ASN 105 CA 0.0117 -0.0171 0.0083 844 ASN 105 C 0.0048 -0.0202 0.0053 845 ASN 105 O -0.0009 -0.0196 -0.0041 846 ASN 105 CB 0.0227 -0.0091 0.0062 847 ASN 105 CG 0.0311 -0.0058 0.0108 848 ASN 105 OD1 0.0403 -0.0003 0.0118 849 ASN 105 ND2 0.0283 -0.0090 0.0139 850 ASN 105 H 0.0074 -0.0129 -0.0071 851 ASN 105 HA 0.0124 -0.0207 0.0172 852 ASN 105 HB3 0.0256 -0.0091 0.0104 853 ASN 105 HB2 0.0223 -0.0053 -0.0027 854 ASN 105 HD22 0.0339 -0.0064 0.0160 855 ASN 105 HD21 0.0207 -0.0131 0.0123 856 VAL 106 N -0.0059 -0.0200 -0.0009 857 VAL 106 CA -0.0045 -0.0186 -0.0008 858 VAL 106 C -0.0037 -0.0167 -0.0006 859 VAL 106 O -0.0024 -0.0171 -0.0009 860 VAL 106 CB -0.0025 -0.0198 -0.0013 861 VAL 106 CG1 -0.0009 -0.0183 -0.0013 862 VAL 106 CG2 -0.0032 -0.0218 -0.0015 863 VAL 106 H -0.0052 -0.0212 -0.0012 864 VAL 106 HA -0.0055 -0.0179 -0.0006 865 VAL 106 HB -0.0016 -0.0204 -0.0016 866 VAL 106 HG11 0.0003 -0.0193 -0.0016 867 VAL 106 HG12 -0.0001 -0.0171 -0.0012 868 VAL 106 HG13 -0.0018 -0.0175 -0.0010 869 VAL 106 HG21 -0.0018 -0.0227 -0.0019 870 VAL 106 HG22 -0.0040 -0.0212 -0.0014 871 VAL 106 HG23 -0.0044 -0.0229 -0.0016 872 ASP 107 N -0.0044 -0.0147 -0.0002 873 ASP 107 CA -0.0035 -0.0127 -0.0000 874 ASP 107 C -0.0014 -0.0122 -0.0002 875 ASP 107 O -0.0015 -0.0122 -0.0002 876 ASP 107 CB -0.0050 -0.0108 0.0005 877 ASP 107 CG -0.0041 -0.0087 0.0007 878 ASP 107 OD1 -0.0025 -0.0087 0.0005 879 ASP 107 OD2 -0.0051 -0.0070 0.0012 880 ASP 107 H -0.0054 -0.0145 -0.0000 881 ASP 107 HA -0.0030 -0.0130 -0.0001 882 ASP 107 HB3 -0.0056 -0.0106 0.0006 883 ASP 107 HB2 -0.0065 -0.0112 0.0007 884 TYR 108 N 0.0004 -0.0144 0.0023 885 TYR 108 CA 0.0106 -0.0132 0.0026 886 TYR 108 C 0.0135 -0.0036 0.0068 887 TYR 108 O 0.0217 -0.0019 0.0073 888 TYR 108 CB 0.0161 -0.0178 0.0004 889 TYR 108 CG 0.0151 -0.0140 0.0021 890 TYR 108 CD1 0.0079 -0.0171 0.0009 891 TYR 108 CD2 0.0213 -0.0072 0.0050 892 TYR 108 CE1 0.0070 -0.0135 0.0026 893 TYR 108 CE2 0.0203 -0.0036 0.0066 894 TYR 108 CZ 0.0131 -0.0067 0.0054 895 TYR 108 OH 0.0119 -0.0030 0.0071 896 TYR 108 H -0.0022 -0.0125 0.0033 897 TYR 108 HA 0.0125 -0.0164 0.0011 898 TYR 108 HB3 0.0141 -0.0247 -0.0026 899 TYR 108 HB2 0.0237 -0.0177 0.0003 900 TYR 108 HD1 0.0031 -0.0223 -0.0013 901 TYR 108 HD2 0.0268 -0.0047 0.0059 902 TYR 108 HE1 0.0014 -0.0159 0.0016 903 TYR 108 HE2 0.0251 0.0017 0.0089 904 TYR 108 HH 0.0139 0.0030 0.0098 905 HIS 109 N 0.0070 0.0026 0.0098 906 HIS 109 CA 0.0090 0.0119 0.0139 907 HIS 109 C 0.0087 0.0144 0.0150 908 HIS 109 O 0.0132 0.0209 0.0178 909 HIS 109 CB 0.0021 0.0176 0.0166 910 HIS 109 CG 0.0020 0.0157 0.0157 911 HIS 109 ND1 -0.0049 0.0103 0.0135 912 HIS 109 CD2 0.0078 0.0184 0.0168 913 HIS 109 CE1 -0.0030 0.0099 0.0133 914 HIS 109 NE2 0.0046 0.0146 0.0152 915 HIS 109 H 0.0002 0.0010 0.0092 916 HIS 109 HA 0.0162 0.0134 0.0143 917 HIS 109 HB3 0.0038 0.0245 0.0196 918 HIS 109 HB2 -0.0052 0.0166 0.0164 919 HIS 109 HD1 -0.0100 0.0069 0.0121 920 HIS 109 HD2 0.0140 0.0226 0.0185 921 HIS 109 HE1 -0.0072 0.0060 0.0117 922 MET 110 N -0.0016 0.0057 0.0084 923 MET 110 CA -0.0017 0.0051 0.0082 924 MET 110 C -0.0010 0.0039 0.0081 925 MET 110 O -0.0006 0.0035 0.0082 926 MET 110 CB -0.0029 0.0050 0.0074 927 MET 110 CG -0.0036 0.0062 0.0074 928 MET 110 SD -0.0034 0.0071 0.0079 929 MET 110 CE -0.0040 0.0064 0.0072 930 MET 110 H -0.0020 0.0053 0.0081 931 MET 110 HA -0.0015 0.0056 0.0085 932 MET 110 HB3 -0.0030 0.0046 0.0071 933 MET 110 HB2 -0.0031 0.0045 0.0070 934 MET 110 HG3 -0.0045 0.0061 0.0068 935 MET 110 HG2 -0.0036 0.0067 0.0077 936 MET 110 HE1 -0.0040 0.0069 0.0074 937 MET 110 HE2 -0.0048 0.0064 0.0067 938 MET 110 HE3 -0.0036 0.0055 0.0071 939 ASN 111 N -0.0008 0.0034 0.0080 940 ASN 111 CA -0.0001 0.0023 0.0080 941 ASN 111 C -0.0007 0.0015 0.0073 942 ASN 111 O -0.0011 0.0018 0.0072 943 ASN 111 CB 0.0009 0.0024 0.0087 944 ASN 111 CG 0.0017 0.0030 0.0094 945 ASN 111 OD1 0.0024 0.0032 0.0100 946 ASN 111 ND2 0.0016 0.0033 0.0095 947 ASN 111 H -0.0012 0.0038 0.0080 948 ASN 111 HA 0.0001 0.0019 0.0080 949 ASN 111 HB3 0.0014 0.0015 0.0086 950 ASN 111 HB2 0.0007 0.0028 0.0087 951 ASN 111 HD22 0.0021 0.0037 0.0100 952 ASN 111 HD21 0.0010 0.0032 0.0090 953 SER 112 N -0.0026 0.0018 0.0028 954 SER 112 CA -0.0022 0.0013 0.0023 955 SER 112 C -0.0009 0.0013 0.0025 956 SER 112 O -0.0004 0.0010 0.0023 957 SER 112 CB -0.0025 0.0007 0.0012 958 SER 112 OG -0.0036 0.0007 0.0009 959 SER 112 H -0.0026 0.0015 0.0025 960 SER 112 HA -0.0026 0.0015 0.0025 961 SER 112 HB3 -0.0020 0.0003 0.0008 962 SER 112 HB2 -0.0023 0.0006 0.0010 963 SER 112 HG -0.0040 0.0008 0.0010 964 VAL 113 N -0.0005 0.0015 0.0029 965 VAL 113 CA 0.0007 0.0014 0.0031 966 VAL 113 C 0.0011 0.0010 0.0026 967 VAL 113 O 0.0005 0.0011 0.0026 968 VAL 113 CB 0.0011 0.0021 0.0042 969 VAL 113 CG1 0.0009 0.0024 0.0047 970 VAL 113 CG2 0.0005 0.0025 0.0047 971 VAL 113 H -0.0010 0.0017 0.0031 972 VAL 113 HA 0.0012 0.0012 0.0029 973 VAL 113 HB 0.0020 0.0020 0.0043 974 VAL 113 HG11 0.0012 0.0028 0.0055 975 VAL 113 HG12 0.0014 0.0021 0.0044 976 VAL 113 HG13 0.0000 0.0025 0.0046 977 VAL 113 HG21 0.0007 0.0029 0.0055 978 VAL 113 HG22 -0.0004 0.0026 0.0046 979 VAL 113 HG23 0.0007 0.0023 0.0045 980 PRO 114 N 0.0030 0.0004 -0.0005 981 PRO 114 CA 0.0033 -0.0002 -0.0009 982 PRO 114 C 0.0036 -0.0002 -0.0006 983 PRO 114 O 0.0040 -0.0000 0.0001 984 PRO 114 CB 0.0039 -0.0007 -0.0010 985 PRO 114 CG 0.0042 -0.0004 -0.0003 986 PRO 114 CD 0.0035 0.0002 -0.0001 987 PRO 114 HA 0.0029 -0.0002 -0.0015 988 PRO 114 HB3 0.0037 -0.0009 -0.0015 989 PRO 114 HB2 0.0044 -0.0011 -0.0011 990 PRO 114 HG3 0.0044 -0.0007 -0.0004 991 PRO 114 HG2 0.0046 -0.0005 0.0002 992 PRO 114 HD2 0.0036 0.0005 0.0005 993 PRO 114 HD3 0.0032 0.0003 -0.0004 994 ILE 115 N 0.0034 -0.0003 -0.0010 995 ILE 115 CA 0.0037 -0.0004 -0.0008 996 ILE 115 C 0.0044 -0.0011 -0.0009 997 ILE 115 O 0.0044 -0.0015 -0.0016 998 ILE 115 CB 0.0032 -0.0003 -0.0012 999 ILE 115 CG1 0.0025 0.0004 -0.0012 1000 ILE 115 CG2 0.0036 -0.0004 -0.0010 1001 ILE 115 CD1 0.0020 0.0005 -0.0017 1002 ILE 115 H 0.0031 -0.0004 -0.0016 1003 ILE 115 HA 0.0038 -0.0001 -0.0002 1004 ILE 115 HB 0.0032 -0.0007 -0.0018 1005 ILE 115 HG13 0.0023 0.0004 -0.0014 1006 ILE 115 HG12 0.0025 0.0007 -0.0006 1007 ILE 115 HG21 0.0033 -0.0003 -0.0013 1008 ILE 115 HG22 0.0041 -0.0009 -0.0010 1009 ILE 115 HG23 0.0036 -0.0000 -0.0004 1010 ILE 115 HD11 0.0015 0.0006 -0.0021 1011 ILE 115 HD12 0.0022 0.0000 -0.0020 1012 ILE 115 HD13 0.0018 0.0008 -0.0013 1013 GLN 116 N 0.0115 0.0030 -0.0069 1014 GLN 116 CA 0.0107 0.0031 -0.0066 1015 GLN 116 C 0.0077 0.0055 -0.0073 1016 GLN 116 O 0.0076 0.0078 -0.0089 1017 GLN 116 CB 0.0137 0.0035 -0.0081 1018 GLN 116 CG 0.0169 0.0014 -0.0078 1019 GLN 116 CD 0.0190 0.0002 -0.0077 1020 GLN 116 OE1 0.0191 0.0016 -0.0089 1021 GLN 116 NE2 0.0206 -0.0025 -0.0064 1022 GLN 116 H 0.0125 0.0046 -0.0085 1023 GLN 116 HA 0.0101 0.0012 -0.0049 1024 GLN 116 HB3 0.0131 0.0034 -0.0077 1025 GLN 116 HB2 0.0140 0.0056 -0.0099 1026 GLN 116 HG3 0.0183 0.0023 -0.0091 1027 GLN 116 HG2 0.0163 -0.0004 -0.0062 1028 GLN 116 HE22 0.0220 -0.0033 -0.0063 1029 GLN 116 HE21 0.0202 -0.0038 -0.0052 1030 GLN 117 N 0.0053 0.0050 -0.0059 1031 GLN 117 CA 0.0023 0.0071 -0.0063 1032 GLN 117 C 0.0020 0.0074 -0.0064 1033 GLN 117 O 0.0025 0.0052 -0.0050 1034 GLN 117 CB -0.0006 0.0060 -0.0043 1035 GLN 117 CG -0.0009 0.0061 -0.0043 1036 GLN 117 CD -0.0015 0.0091 -0.0063 1037 GLN 117 OE1 -0.0026 0.0112 -0.0074 1038 GLN 117 NE2 -0.0010 0.0095 -0.0068 1039 GLN 117 H 0.0056 0.0031 -0.0046 1040 GLN 117 HA 0.0024 0.0091 -0.0079 1041 GLN 117 HB3 -0.0029 0.0073 -0.0044 1042 GLN 117 HB2 -0.0005 0.0039 -0.0027 1043 GLN 117 HG3 -0.0029 0.0052 -0.0028 1044 GLN 117 HG2 0.0014 0.0049 -0.0043 1045 GLN 117 HE22 -0.0016 0.0115 -0.0080 1046 GLN 117 HE21 -0.0002 0.0079 -0.0059 1047 GLU 118 N 0.0014 0.0184 -0.0156 1048 GLU 118 CA -0.0007 0.0192 -0.0155 1049 GLU 118 C -0.0078 0.0167 -0.0121 1050 GLU 118 O -0.0131 0.0192 -0.0123 1051 GLU 118 CB -0.0014 0.0261 -0.0195 1052 GLU 118 CG 0.0054 0.0284 -0.0228 1053 GLU 118 CD 0.0042 0.0350 -0.0265 1054 GLU 118 OE1 -0.0015 0.0384 -0.0271 1055 GLU 118 OE2 0.0082 0.0362 -0.0283 1056 GLU 118 H 0.0003 0.0223 -0.0177 1057 GLU 118 HA 0.0032 0.0166 -0.0150 1058 GLU 118 HB3 -0.0054 0.0270 -0.0191 1059 GLU 118 HB2 -0.0035 0.0289 -0.0207 1060 GLU 118 HG3 0.0092 0.0282 -0.0237 1061 GLU 118 HG2 0.0078 0.0254 -0.0216 1062 ILE 119 N -0.0077 0.0118 -0.0092 1063 ILE 119 CA -0.0137 0.0087 -0.0057 1064 ILE 119 C -0.0147 0.0090 -0.0056 1065 ILE 119 O -0.0096 0.0083 -0.0065 1066 ILE 119 CB -0.0126 0.0019 -0.0018 1067 ILE 119 CG1 -0.0131 0.0016 -0.0015 1068 ILE 119 CG2 -0.0172 -0.0025 0.0021 1069 ILE 119 CD1 -0.0203 0.0040 -0.0010 1070 ILE 119 H -0.0031 0.0101 -0.0094 1071 ILE 119 HA -0.0184 0.0112 -0.0059 1072 ILE 119 HB -0.0072 0.0000 -0.0021 1073 ILE 119 HG13 -0.0115 -0.0032 0.0010 1074 ILE 119 HG12 -0.0092 0.0042 -0.0041 1075 ILE 119 HG21 -0.0165 -0.0071 0.0047 1076 ILE 119 HG22 -0.0159 -0.0034 0.0023 1077 ILE 119 HG23 -0.0228 -0.0007 0.0025 1078 ILE 119 HD11 -0.0209 0.0021 0.0003 1079 ILE 119 HD12 -0.0246 0.0027 0.0009 1080 ILE 119 HD13 -0.0210 0.0090 -0.0039 1081 LEU 120 N -0.0126 0.0029 -0.0055 1082 LEU 120 CA -0.0140 0.0021 -0.0049 1083 LEU 120 C -0.0146 -0.0005 -0.0026 1084 LEU 120 O -0.0155 -0.0013 -0.0018 1085 LEU 120 CB -0.0171 0.0034 -0.0060 1086 LEU 120 CG -0.0168 0.0060 -0.0083 1087 LEU 120 CD1 -0.0200 0.0071 -0.0093 1088 LEU 120 CD2 -0.0152 0.0065 -0.0087 1089 LEU 120 H -0.0140 0.0030 -0.0056 1090 LEU 120 HA -0.0125 0.0025 -0.0052 1091 LEU 120 HB3 -0.0183 0.0026 -0.0053 1092 LEU 120 HB2 -0.0185 0.0031 -0.0058 1093 LEU 120 HG -0.0155 0.0068 -0.0089 1094 LEU 120 HD11 -0.0199 0.0090 -0.0109 1095 LEU 120 HD12 -0.0213 0.0067 -0.0089 1096 LEU 120 HD13 -0.0214 0.0065 -0.0087 1097 LEU 120 HD21 -0.0157 0.0083 -0.0103 1098 LEU 120 HD22 -0.0159 0.0053 -0.0077 1099 LEU 120 HD23 -0.0127 0.0064 -0.0086 1100 VAL 121 N -0.0141 -0.0017 -0.0015 1101 VAL 121 CA -0.0148 -0.0041 0.0006 1102 VAL 121 C -0.0164 -0.0044 0.0008 1103 VAL 121 O -0.0160 -0.0029 -0.0004 1104 VAL 121 CB -0.0119 -0.0056 0.0020 1105 VAL 121 CG1 -0.0104 -0.0056 0.0019 1106 VAL 121 CG2 -0.0095 -0.0051 0.0015 1107 VAL 121 H -0.0132 -0.0009 -0.0022 1108 VAL 121 HA -0.0164 -0.0047 0.0011 1109 VAL 121 HB -0.0127 -0.0074 0.0035 1110 VAL 121 HG11 -0.0085 -0.0067 0.0029 1111 VAL 121 HG12 -0.0120 -0.0061 0.0024 1112 VAL 121 HG13 -0.0096 -0.0038 0.0004 1113 VAL 121 HG21 -0.0075 -0.0061 0.0024 1114 VAL 121 HG22 -0.0088 -0.0033 -0.0000 1115 VAL 121 HG23 -0.0104 -0.0055 0.0019 1116 LEU 122 N -0.0066 -0.0026 0.0018 1117 LEU 122 CA -0.0063 -0.0034 0.0019 1118 LEU 122 C -0.0068 -0.0029 0.0023 1119 LEU 122 O -0.0070 -0.0021 0.0018 1120 LEU 122 CB -0.0056 -0.0035 0.0009 1121 LEU 122 CG -0.0050 -0.0041 0.0004 1122 LEU 122 CD1 -0.0043 -0.0041 -0.0006 1123 LEU 122 CD2 -0.0048 -0.0051 0.0011 1124 LEU 122 H -0.0066 -0.0021 0.0012 1125 LEU 122 HA -0.0062 -0.0041 0.0025 1126 LEU 122 HB3 -0.0054 -0.0040 0.0010 1127 LEU 122 HB2 -0.0057 -0.0028 0.0004 1128 LEU 122 HG -0.0052 -0.0036 0.0004 1129 LEU 122 HD11 -0.0040 -0.0040 -0.0011 1130 LEU 122 HD12 -0.0044 -0.0035 -0.0009 1131 LEU 122 HD13 -0.0039 -0.0048 -0.0006 1132 LEU 122 HD21 -0.0043 -0.0055 0.0007 1133 LEU 122 HD22 -0.0046 -0.0056 0.0012 1134 LEU 122 HD23 -0.0052 -0.0051 0.0018 1135 ARG 123 N -0.0071 -0.0034 0.0032 1136 ARG 123 CA -0.0074 -0.0031 0.0035 1137 ARG 123 C -0.0069 -0.0039 0.0034 1138 ARG 123 O -0.0065 -0.0048 0.0035 1139 ARG 123 CB -0.0081 -0.0031 0.0046 1140 ARG 123 CG -0.0085 -0.0028 0.0050 1141 ARG 123 CD -0.0093 -0.0024 0.0059 1142 ARG 123 NE -0.0098 -0.0015 0.0058 1143 ARG 123 CZ -0.0100 -0.0006 0.0052 1144 ARG 123 NH1 -0.0099 -0.0002 0.0047 1145 ARG 123 NH2 -0.0103 0.0000 0.0052 1146 ARG 123 H -0.0069 -0.0041 0.0036 1147 ARG 123 HA -0.0076 -0.0024 0.0031 1148 ARG 123 HB3 -0.0080 -0.0039 0.0051 1149 ARG 123 HB2 -0.0085 -0.0026 0.0047 1150 ARG 123 HG3 -0.0085 -0.0022 0.0044 1151 ARG 123 HG2 -0.0082 -0.0034 0.0051 1152 ARG 123 HD3 -0.0096 -0.0022 0.0061 1153 ARG 123 HD2 -0.0094 -0.0030 0.0065 1154 ARG 123 HH22 -0.0105 0.0008 0.0048 1155 ARG 123 HH21 -0.0104 -0.0002 0.0055 1156 ARG 123 HH12 -0.0101 0.0006 0.0043 1157 ARG 123 HH11 -0.0096 -0.0006 0.0047 1158 ARG 123 HE -0.0099 -0.0017 0.0061 1159 ARG 124 N 0.0013 -0.0036 0.0005 1160 ARG 124 CA 0.0020 -0.0037 0.0002 1161 ARG 124 C 0.0025 -0.0036 0.0005 1162 ARG 124 O 0.0023 -0.0036 0.0005 1163 ARG 124 CB 0.0019 -0.0038 -0.0005 1164 ARG 124 CG 0.0015 -0.0039 -0.0009 1165 ARG 124 CD 0.0014 -0.0040 -0.0016 1166 ARG 124 NE 0.0009 -0.0041 -0.0019 1167 ARG 124 CZ 0.0009 -0.0042 -0.0020 1168 ARG 124 NH1 0.0014 -0.0041 -0.0019 1169 ARG 124 NH2 0.0003 -0.0042 -0.0023 1170 ARG 124 H 0.0009 -0.0037 0.0002 1171 ARG 124 HA 0.0022 -0.0036 0.0003 1172 ARG 124 HB3 0.0024 -0.0038 -0.0008 1173 ARG 124 HB2 0.0017 -0.0038 -0.0007 1174 ARG 124 HG3 0.0010 -0.0039 -0.0006 1175 ARG 124 HG2 0.0017 -0.0039 -0.0008 1176 ARG 124 HD3 0.0019 -0.0041 -0.0019 1177 ARG 124 HD2 0.0014 -0.0041 -0.0018 1178 ARG 124 HH22 0.0003 -0.0043 -0.0025 1179 ARG 124 HH21 -0.0001 -0.0043 -0.0024 1180 ARG 124 HH12 0.0014 -0.0041 -0.0019 1181 ARG 124 HH11 0.0018 -0.0040 -0.0017 1182 ARG 124 HE 0.0005 -0.0042 -0.0021 1183 GLU 125 N 0.0031 -0.0035 0.0007 1184 GLU 125 CA 0.0036 -0.0034 0.0010 1185 GLU 125 C 0.0043 -0.0034 0.0008 1186 GLU 125 O 0.0044 -0.0034 0.0010 1187 GLU 125 CB 0.0035 -0.0033 0.0018 1188 GLU 125 CG 0.0041 -0.0032 0.0021 1189 GLU 125 CD 0.0040 -0.0031 0.0028 1190 GLU 125 OE1 0.0034 -0.0031 0.0030 1191 GLU 125 OE2 0.0045 -0.0030 0.0032 1192 GLU 125 H 0.0032 -0.0035 0.0007 1193 GLU 125 HA 0.0035 -0.0035 0.0008 1194 GLU 125 HB3 0.0035 -0.0033 0.0020 1195 GLU 125 HB2 0.0030 -0.0033 0.0019 1196 GLU 125 HG3 0.0041 -0.0033 0.0018 1197 GLU 125 HG2 0.0046 -0.0032 0.0020 1198 PRO 126 N 0.0139 -0.0086 0.0051 1199 PRO 126 CA 0.0163 -0.0090 0.0068 1200 PRO 126 C 0.0140 -0.0091 0.0049 1201 PRO 126 O 0.0107 -0.0097 0.0019 1202 PRO 126 CB 0.0196 -0.0134 0.0072 1203 PRO 126 CG 0.0179 -0.0162 0.0043 1204 PRO 126 CD 0.0152 -0.0126 0.0040 1205 PRO 126 HA 0.0176 -0.0063 0.0093 1206 PRO 126 HB3 0.0221 -0.0127 0.0096 1207 PRO 126 HB2 0.0207 -0.0152 0.0071 1208 PRO 126 HG3 0.0201 -0.0187 0.0048 1209 PRO 126 HG2 0.0161 -0.0179 0.0020 1210 PRO 126 HD2 0.0128 -0.0138 0.0015 1211 PRO 126 HD3 0.0168 -0.0119 0.0057 1212 PRO 127 N 0.0156 -0.0086 0.0065 1213 PRO 127 CA 0.0139 -0.0090 0.0048 1214 PRO 127 C 0.0127 -0.0133 0.0016 1215 PRO 127 O 0.0148 -0.0168 0.0015 1216 PRO 127 CB 0.0170 -0.0087 0.0075 1217 PRO 127 CG 0.0193 -0.0060 0.0109 1218 PRO 127 CD 0.0194 -0.0076 0.0101 1219 PRO 127 HA 0.0113 -0.0061 0.0043 1220 PRO 127 HB3 0.0157 -0.0072 0.0073 1221 PRO 127 HB2 0.0189 -0.0120 0.0074 1222 PRO 127 HG3 0.0176 -0.0024 0.0114 1223 PRO 127 HG2 0.0222 -0.0064 0.0130 1224 PRO 127 HD2 0.0218 -0.0106 0.0104 1225 PRO 127 HD3 0.0198 -0.0051 0.0118 1226 HIS 128 N 0.0131 -0.0083 -0.0029 1227 HIS 128 CA 0.0115 -0.0114 -0.0060 1228 HIS 128 C 0.0105 -0.0120 -0.0070 1229 HIS 128 O 0.0092 -0.0146 -0.0095 1230 HIS 128 CB 0.0143 -0.0148 -0.0074 1231 HIS 128 CG 0.0158 -0.0143 -0.0063 1232 HIS 128 ND1 0.0135 -0.0123 -0.0058 1233 HIS 128 CD2 0.0196 -0.0155 -0.0055 1234 HIS 128 CE1 0.0159 -0.0123 -0.0048 1235 HIS 128 NE2 0.0196 -0.0143 -0.0046 1236 HIS 128 H 0.0113 -0.0064 -0.0023 1237 HIS 128 HA 0.0087 -0.0108 -0.0069 1238 HIS 128 HB3 0.0126 -0.0168 -0.0097 1239 HIS 128 HB2 0.0169 -0.0159 -0.0070 1240 HIS 128 HD1 0.0106 -0.0107 -0.0060 1241 HIS 128 HD2 0.0223 -0.0172 -0.0056 1242 HIS 128 HE1 0.0148 -0.0109 -0.0042 1243 SER 129 N 0.0110 -0.0097 -0.0049 1244 SER 129 CA 0.0101 -0.0100 -0.0056 1245 SER 129 C 0.0055 -0.0096 -0.0074 1246 SER 129 O 0.0030 -0.0070 -0.0066 1247 SER 129 CB 0.0114 -0.0071 -0.0029 1248 SER 129 OG 0.0104 -0.0075 -0.0036 1249 SER 129 H 0.0122 -0.0076 -0.0029 1250 SER 129 HA 0.0119 -0.0125 -0.0067 1251 SER 129 HB3 0.0100 -0.0045 -0.0015 1252 SER 129 HB2 0.0147 -0.0075 -0.0016 1253 SER 129 HG 0.0116 -0.0059 -0.0018 1254 PRO 130 N 0.0131 -0.0037 -0.0061 1255 PRO 130 CA 0.0124 -0.0043 -0.0048 1256 PRO 130 C 0.0121 -0.0035 -0.0035 1257 PRO 130 O 0.0114 -0.0042 -0.0024 1258 PRO 130 CB 0.0124 -0.0041 -0.0048 1259 PRO 130 CG 0.0132 -0.0027 -0.0055 1260 PRO 130 CD 0.0137 -0.0028 -0.0066 1261 PRO 130 HA 0.0120 -0.0054 -0.0049 1262 PRO 130 HB3 0.0123 -0.0050 -0.0054 1263 PRO 130 HB2 0.0120 -0.0041 -0.0037 1264 PRO 130 HG3 0.0134 -0.0027 -0.0059 1265 PRO 130 HG2 0.0133 -0.0018 -0.0047 1266 PRO 130 HD2 0.0142 -0.0017 -0.0068 1267 PRO 130 HD3 0.0139 -0.0034 -0.0076 1268 ASN 131 N 0.0126 -0.0021 -0.0035 1269 ASN 131 CA 0.0124 -0.0011 -0.0021 1270 ASN 131 C 0.0128 -0.0003 -0.0021 1271 ASN 131 O 0.0127 0.0006 -0.0011 1272 ASN 131 CB 0.0126 -0.0001 -0.0017 1273 ASN 131 CG 0.0135 0.0011 -0.0026 1274 ASN 131 OD1 0.0140 0.0011 -0.0038 1275 ASN 131 ND2 0.0137 0.0021 -0.0021 1276 ASN 131 H 0.0132 -0.0017 -0.0044 1277 ASN 131 HA 0.0118 -0.0018 -0.0013 1278 ASN 131 HB3 0.0124 -0.0008 -0.0017 1279 ASN 131 HB2 0.0124 0.0004 -0.0006 1280 ASN 131 HD22 0.0143 0.0029 -0.0027 1281 ASN 131 HD21 0.0133 0.0022 -0.0011 1282 SER 132 N 0.0053 -0.0017 -0.0028 1283 SER 132 CA 0.0055 -0.0014 -0.0022 1284 SER 132 C 0.0048 -0.0018 -0.0022 1285 SER 132 O 0.0047 -0.0021 -0.0030 1286 SER 132 CB 0.0065 -0.0009 -0.0025 1287 SER 132 OG 0.0067 -0.0011 -0.0034 1288 SER 132 H 0.0051 -0.0020 -0.0035 1289 SER 132 HA 0.0055 -0.0012 -0.0014 1290 SER 132 HB3 0.0070 -0.0007 -0.0025 1291 SER 132 HB2 0.0067 -0.0007 -0.0019 1292 SER 132 HG 0.0065 -0.0012 -0.0033 1293 PHE 133 N 0.0044 -0.0018 -0.0013 1294 PHE 133 CA 0.0036 -0.0021 -0.0011 1295 PHE 133 C 0.0038 -0.0018 -0.0003 1296 PHE 133 O 0.0043 -0.0013 0.0003 1297 PHE 133 CB 0.0027 -0.0025 -0.0008 1298 PHE 133 CG 0.0024 -0.0029 -0.0015 1299 PHE 133 CD1 0.0028 -0.0027 -0.0015 1300 PHE 133 CD2 0.0018 -0.0034 -0.0022 1301 PHE 133 CE1 0.0026 -0.0030 -0.0022 1302 PHE 133 CE2 0.0016 -0.0037 -0.0028 1303 PHE 133 CZ 0.0020 -0.0035 -0.0028 1304 PHE 133 H 0.0045 -0.0015 -0.0007 1305 PHE 133 HA 0.0036 -0.0023 -0.0018 1306 PHE 133 HB3 0.0022 -0.0028 -0.0006 1307 PHE 133 HB2 0.0028 -0.0023 -0.0001 1308 PHE 133 HD1 0.0033 -0.0023 -0.0010 1309 PHE 133 HD2 0.0016 -0.0035 -0.0022 1310 PHE 133 HE1 0.0029 -0.0028 -0.0022 1311 PHE 133 HE2 0.0011 -0.0041 -0.0033 1312 PHE 133 HZ 0.0018 -0.0037 -0.0034 1313 ARG 134 N -0.0066 -0.0010 -0.0062 1314 ARG 134 CA -0.0064 -0.0004 -0.0069 1315 ARG 134 C -0.0061 -0.0011 -0.0067 1316 ARG 134 O -0.0057 -0.0020 -0.0064 1317 ARG 134 CB -0.0057 -0.0001 -0.0079 1318 ARG 134 CG -0.0055 0.0006 -0.0087 1319 ARG 134 CD -0.0047 0.0007 -0.0097 1320 ARG 134 NE -0.0048 0.0014 -0.0100 1321 ARG 134 CZ -0.0050 0.0023 -0.0106 1322 ARG 134 NH1 -0.0050 0.0029 -0.0110 1323 ARG 134 NH2 -0.0050 0.0028 -0.0108 1324 ARG 134 H -0.0061 -0.0017 -0.0061 1325 ARG 134 HA -0.0070 0.0003 -0.0068 1326 ARG 134 HB3 -0.0051 -0.0008 -0.0080 1327 ARG 134 HB2 -0.0059 0.0003 -0.0080 1328 ARG 134 HG3 -0.0060 0.0013 -0.0086 1329 ARG 134 HG2 -0.0054 0.0003 -0.0085 1330 ARG 134 HD3 -0.0044 0.0010 -0.0101 1331 ARG 134 HD2 -0.0042 -0.0000 -0.0097 1332 ARG 134 HH22 -0.0049 0.0033 -0.0114 1333 ARG 134 HH21 -0.0051 0.0023 -0.0104 1334 ARG 134 HH12 -0.0050 0.0036 -0.0115 1335 ARG 134 HH11 -0.0050 0.0026 -0.0107 1336 ARG 134 HE -0.0048 0.0009 -0.0097 1337 LEU 135 N -0.0063 -0.0006 -0.0068 1338 LEU 135 CA -0.0059 -0.0011 -0.0069 1339 LEU 135 C -0.0049 -0.0014 -0.0078 1340 LEU 135 O -0.0046 -0.0008 -0.0086 1341 LEU 135 CB -0.0063 -0.0003 -0.0070 1342 LEU 135 CG -0.0072 -0.0003 -0.0061 1343 LEU 135 CD1 -0.0075 0.0005 -0.0064 1344 LEU 135 CD2 -0.0071 -0.0013 -0.0054 1345 LEU 135 H -0.0067 0.0002 -0.0070 1346 LEU 135 HA -0.0060 -0.0018 -0.0063 1347 LEU 135 HB3 -0.0058 -0.0006 -0.0073 1348 LEU 135 HB2 -0.0064 0.0004 -0.0075 1349 LEU 135 HG -0.0076 0.0000 -0.0058 1350 LEU 135 HD11 -0.0082 0.0007 -0.0057 1351 LEU 135 HD12 -0.0076 0.0013 -0.0069 1352 LEU 135 HD13 -0.0071 0.0003 -0.0066 1353 LEU 135 HD21 -0.0078 -0.0012 -0.0047 1354 LEU 135 HD22 -0.0068 -0.0015 -0.0056 1355 LEU 135 HD23 -0.0068 -0.0020 -0.0053 1356 GLU 136 N -0.0147 0.0012 -0.0067 1357 GLU 136 CA -0.0109 0.0022 -0.0063 1358 GLU 136 C -0.0100 0.0043 -0.0076 1359 GLU 136 O -0.0115 0.0037 -0.0076 1360 GLU 136 CB -0.0092 -0.0004 -0.0035 1361 GLU 136 CG -0.0051 0.0005 -0.0027 1362 GLU 136 CD -0.0036 -0.0022 -0.0000 1363 GLU 136 OE1 -0.0022 -0.0032 0.0013 1364 GLU 136 OE2 -0.0035 -0.0032 0.0008 1365 GLU 136 H -0.0157 0.0003 -0.0064 1366 GLU 136 HA -0.0102 0.0034 -0.0069 1367 GLU 136 HB3 -0.0102 -0.0019 -0.0027 1368 GLU 136 HB2 -0.0099 -0.0016 -0.0028 1369 GLU 136 HG3 -0.0040 0.0021 -0.0037 1370 GLU 136 HG2 -0.0043 0.0014 -0.0032 1371 LYS 137 N -0.0075 0.0068 -0.0086 1372 LYS 137 CA -0.0062 0.0089 -0.0099 1373 LYS 137 C -0.0026 0.0085 -0.0083 1374 LYS 137 O -0.0002 0.0086 -0.0075 1375 LYS 137 CB -0.0062 0.0120 -0.0124 1376 LYS 137 CG -0.0061 0.0141 -0.0140 1377 LYS 137 CD -0.0049 0.0174 -0.0163 1378 LYS 137 CE -0.0073 0.0188 -0.0183 1379 LYS 137 NZ -0.0059 0.0220 -0.0203 1380 LYS 137 H -0.0063 0.0070 -0.0084 1381 LYS 137 HA -0.0080 0.0084 -0.0102 1382 LYS 137 HB3 -0.0039 0.0127 -0.0122 1383 LYS 137 HB2 -0.0086 0.0120 -0.0132 1384 LYS 137 HG3 -0.0086 0.0137 -0.0146 1385 LYS 137 HG2 -0.0042 0.0136 -0.0130 1386 LYS 137 HD3 -0.0048 0.0184 -0.0171 1387 LYS 137 HD2 -0.0022 0.0179 -0.0157 1388 LYS 137 HE3 -0.0075 0.0179 -0.0176 1389 LYS 137 HE2 -0.0099 0.0185 -0.0189 1390 LYS 137 HZ1 -0.0035 0.0225 -0.0198 1391 LYS 137 HZ2 -0.0053 0.0228 -0.0207 1392 LYS 137 HZ3 -0.0075 0.0232 -0.0218 1393 ILE 138 N -0.0054 0.0088 -0.0080 1394 ILE 138 CA 0.0009 0.0059 -0.0065 1395 ILE 138 C 0.0024 0.0078 -0.0083 1396 ILE 138 O -0.0019 0.0109 -0.0102 1397 ILE 138 CB 0.0001 -0.0003 -0.0014 1398 ILE 138 CG1 -0.0059 -0.0021 0.0008 1399 ILE 138 CG2 -0.0003 -0.0025 0.0004 1400 ILE 138 CD1 -0.0052 -0.0081 0.0056 1401 ILE 138 H -0.0094 0.0090 -0.0076 1402 ILE 138 HA 0.0053 0.0068 -0.0078 1403 ILE 138 HB 0.0049 -0.0023 -0.0005 1404 ILE 138 HG13 -0.0065 0.0003 -0.0010 1405 ILE 138 HG12 -0.0108 -0.0011 0.0007 1406 ILE 138 HG21 0.0001 -0.0070 0.0039 1407 ILE 138 HG22 0.0039 -0.0013 -0.0012 1408 ILE 138 HG23 -0.0051 -0.0011 -0.0001 1409 ILE 138 HD11 -0.0090 -0.0089 0.0067 1410 ILE 138 HD12 -0.0001 -0.0093 0.0058 1411 ILE 138 HD13 -0.0060 -0.0108 0.0078 1412 LEU 139 N 0.0085 0.0060 -0.0076 1413 LEU 139 CA 0.0110 0.0076 -0.0093 1414 LEU 139 C 0.0119 0.0025 -0.0053 1415 LEU 139 O 0.0160 -0.0013 -0.0028 1416 LEU 139 CB 0.0179 0.0102 -0.0123 1417 LEU 139 CG 0.0201 0.0138 -0.0155 1418 LEU 139 CD1 0.0151 0.0190 -0.0189 1419 LEU 139 CD2 0.0275 0.0153 -0.0177 1420 LEU 139 H 0.0116 0.0031 -0.0058 1421 LEU 139 HA 0.0073 0.0106 -0.0112 1422 LEU 139 HB3 0.0220 0.0070 -0.0103 1423 LEU 139 HB2 0.0175 0.0127 -0.0143 1424 LEU 139 HG 0.0201 0.0114 -0.0135 1425 LEU 139 HD11 0.0179 0.0226 -0.0222 1426 LEU 139 HD12 0.0121 0.0186 -0.0182 1427 LEU 139 HD13 0.0116 0.0197 -0.0191 1428 LEU 139 HD21 0.0293 0.0177 -0.0198 1429 LEU 139 HD22 0.0280 0.0177 -0.0197 1430 LEU 139 HD23 0.0311 0.0117 -0.0153 1431 VAL 140 N 0.0021 -0.0037 -0.0014 1432 VAL 140 CA 0.0019 -0.0059 0.0002 1433 VAL 140 C 0.0031 -0.0052 -0.0004 1434 VAL 140 O 0.0021 -0.0032 -0.0018 1435 VAL 140 CB -0.0016 -0.0066 0.0012 1436 VAL 140 CG1 -0.0022 -0.0087 0.0028 1437 VAL 140 CG2 -0.0027 -0.0075 0.0020 1438 VAL 140 H 0.0006 -0.0022 -0.0024 1439 VAL 140 HA 0.0034 -0.0075 0.0013 1440 VAL 140 HB -0.0030 -0.0049 0.0001 1441 VAL 140 HG11 -0.0046 -0.0091 0.0034 1442 VAL 140 HG12 -0.0017 -0.0081 0.0023 1443 VAL 140 HG13 -0.0008 -0.0104 0.0040 1444 VAL 140 HG21 -0.0052 -0.0080 0.0026 1445 VAL 140 HG22 -0.0013 -0.0092 0.0031 1446 VAL 140 HG23 -0.0026 -0.0060 0.0009 1447 SER 141 N 0.0051 -0.0069 0.0006 1448 SER 141 CA 0.0060 -0.0067 0.0004 1449 SER 141 C 0.0036 -0.0077 0.0014 1450 SER 141 O 0.0032 -0.0100 0.0032 1451 SER 141 CB 0.0093 -0.0080 0.0010 1452 SER 141 OG 0.0116 -0.0066 -0.0004 1453 SER 141 H 0.0056 -0.0085 0.0018 1454 SER 141 HA 0.0062 -0.0047 -0.0012 1455 SER 141 HB3 0.0098 -0.0083 0.0011 1456 SER 141 HB2 0.0094 -0.0099 0.0024 1457 SER 141 HG 0.0111 -0.0063 -0.0005 1458 VAL 142 N 0.0038 -0.0037 -0.0000 1459 VAL 142 CA 0.0027 -0.0040 -0.0000 1460 VAL 142 C 0.0029 -0.0039 -0.0001 1461 VAL 142 O 0.0021 -0.0042 -0.0000 1462 VAL 142 CB 0.0017 -0.0033 -0.0007 1463 VAL 142 CG1 0.0012 -0.0036 -0.0006 1464 VAL 142 CG2 0.0022 -0.0021 -0.0014 1465 VAL 142 H 0.0041 -0.0030 -0.0005 1466 VAL 142 HA 0.0024 -0.0048 0.0004 1467 VAL 142 HB 0.0010 -0.0034 -0.0007 1468 VAL 142 HG11 0.0005 -0.0031 -0.0011 1469 VAL 142 HG12 0.0009 -0.0044 -0.0001 1470 VAL 142 HG13 0.0019 -0.0034 -0.0006 1471 VAL 142 HG21 0.0014 -0.0017 -0.0018 1472 VAL 142 HG22 0.0029 -0.0019 -0.0014 1473 VAL 142 HG23 0.0025 -0.0019 -0.0015 1474 GLY 143 N 0.0040 -0.0035 -0.0001 1475 GLY 143 CA 0.0044 -0.0034 -0.0001 1476 GLY 143 C 0.0055 -0.0026 -0.0004 1477 GLY 143 O 0.0060 -0.0022 -0.0006 1478 GLY 143 H 0.0047 -0.0032 -0.0002 1479 GLY 143 HA3 0.0037 -0.0031 -0.0005 1480 GLY 143 HA2 0.0046 -0.0041 0.0004 1481 CYS 144 N 0.0009 -0.0002 -0.0009 1482 CYS 144 CA 0.0005 0.0004 -0.0001 1483 CYS 144 C 0.0001 0.0008 -0.0001 1484 CYS 144 O -0.0000 0.0009 -0.0008 1485 CYS 144 CB 0.0002 0.0008 -0.0002 1486 CYS 144 SG 0.0007 0.0003 -0.0001 1487 CYS 144 H 0.0006 -0.0000 -0.0015 1488 CYS 144 HA 0.0008 0.0001 0.0005 1489 CYS 144 HB3 -0.0001 0.0012 0.0004 1490 CYS 144 HB2 -0.0001 0.0010 -0.0008 1491 THR 145 N 0.0000 0.0011 0.0006 1492 THR 145 CA -0.0004 0.0016 0.0008 1493 THR 145 C -0.0008 0.0022 0.0014 1494 THR 145 O -0.0006 0.0021 0.0020 1495 THR 145 CB -0.0001 0.0013 0.0011 1496 THR 145 OG1 -0.0004 0.0017 0.0011 1497 THR 145 CG2 0.0003 0.0011 0.0020 1498 THR 145 H 0.0001 0.0011 0.0012 1499 THR 145 HA -0.0007 0.0019 0.0002 1500 THR 145 HB 0.0003 0.0009 0.0007 1501 THR 145 HG1 -0.0004 0.0016 0.0005 1502 THR 145 HG21 0.0005 0.0009 0.0022 1503 THR 145 HG22 0.0006 0.0007 0.0021 1504 THR 145 HG23 -0.0000 0.0015 0.0025 1505 CYS 146 N -0.0039 0.0020 0.0038 1506 CYS 146 CA -0.0041 0.0031 0.0046 1507 CYS 146 C -0.0040 0.0037 0.0055 1508 CYS 146 O -0.0044 0.0041 0.0050 1509 CYS 146 CB -0.0050 0.0039 0.0038 1510 CYS 146 SG -0.0053 0.0053 0.0047 1511 CYS 146 H -0.0043 0.0021 0.0031 1512 CYS 146 HA -0.0037 0.0029 0.0051 1513 CYS 146 HB3 -0.0054 0.0041 0.0032 1514 CYS 146 HB2 -0.0050 0.0035 0.0032 1515 VAL 147 N -0.0034 0.0037 0.0066 1516 VAL 147 CA -0.0032 0.0043 0.0076 1517 VAL 147 C -0.0033 0.0053 0.0084 1518 VAL 147 O -0.0033 0.0054 0.0086 1519 VAL 147 CB -0.0023 0.0034 0.0083 1520 VAL 147 CG1 -0.0021 0.0023 0.0076 1521 VAL 147 CG2 -0.0017 0.0029 0.0090 1522 VAL 147 H -0.0031 0.0035 0.0069 1523 VAL 147 HA -0.0035 0.0046 0.0072 1524 VAL 147 HB -0.0021 0.0038 0.0090 1525 VAL 147 HG11 -0.0015 0.0017 0.0082 1526 VAL 147 HG12 -0.0024 0.0026 0.0073 1527 VAL 147 HG13 -0.0022 0.0018 0.0069 1528 VAL 147 HG21 -0.0011 0.0022 0.0094 1529 VAL 147 HG22 -0.0018 0.0025 0.0084 1530 VAL 147 HG23 -0.0017 0.0036 0.0097 1531 THR 148 N -0.0015 0.0043 0.0128 1532 THR 148 CA 0.0010 0.0060 0.0132 1533 THR 148 C -0.0008 0.0045 0.0158 1534 THR 148 O -0.0040 0.0023 0.0151 1535 THR 148 CB 0.0017 0.0070 0.0086 1536 THR 148 OG1 -0.0015 0.0049 0.0063 1537 THR 148 CG2 0.0035 0.0085 0.0057 1538 THR 148 H -0.0029 0.0036 0.0098 1539 THR 148 HA 0.0035 0.0076 0.0148 1540 THR 148 HB 0.0035 0.0082 0.0089 1541 THR 148 HG1 -0.0022 0.0043 0.0074 1542 THR 148 HG21 0.0040 0.0092 0.0025 1543 THR 148 HG22 0.0061 0.0101 0.0072 1544 THR 148 HG23 0.0018 0.0074 0.0052 1545 PRO 149 N 0.0013 0.0056 0.0190 1546 PRO 149 CA -0.0002 0.0044 0.0214 1547 PRO 149 C -0.0012 0.0040 0.0184 1548 PRO 149 O 0.0000 0.0052 0.0148 1549 PRO 149 CB 0.0029 0.0062 0.0248 1550 PRO 149 CG 0.0063 0.0088 0.0228 1551 PRO 149 CD 0.0050 0.0081 0.0203 1552 PRO 149 HA -0.0025 0.0026 0.0230 1553 PRO 149 HB3 0.0025 0.0057 0.0278 1554 PRO 149 HB2 0.0031 0.0062 0.0256 1555 PRO 149 HG3 0.0085 0.0101 0.0251 1556 PRO 149 HG2 0.0072 0.0096 0.0204 1557 PRO 149 HD2 0.0067 0.0096 0.0177 1558 PRO 149 HD3 0.0051 0.0080 0.0226 1559 ILE 150 N -0.0246 -0.0036 0.0190 1560 ILE 150 CA -0.0324 -0.0106 0.0048 1561 ILE 150 C -0.0262 -0.0076 0.0089 1562 ILE 150 O -0.0313 -0.0036 0.0241 1563 ILE 150 CB -0.0546 -0.0162 0.0059 1564 ILE 150 CG1 -0.0618 -0.0198 0.0011 1565 ILE 150 CG2 -0.0640 -0.0229 -0.0060 1566 ILE 150 CD1 -0.0559 -0.0252 -0.0189 1567 ILE 150 H -0.0306 -0.0006 0.0321 1568 ILE 150 HA -0.0265 -0.0140 -0.0092 1569 ILE 150 HB -0.0600 -0.0126 0.0203 1570 ILE 150 HG13 -0.0773 -0.0231 0.0037 1571 ILE 150 HG12 -0.0565 -0.0150 0.0109 1572 ILE 150 HG21 -0.0794 -0.0270 -0.0060 1573 ILE 150 HG22 -0.0622 -0.0205 -0.0005 1574 ILE 150 HG23 -0.0579 -0.0263 -0.0205 1575 ILE 150 HD11 -0.0662 -0.0296 -0.0235 1576 ILE 150 HD12 -0.0550 -0.0285 -0.0291 1577 ILE 150 HD13 -0.0418 -0.0218 -0.0198 1578 VAL 151 N -0.0150 -0.0093 -0.0045 1579 VAL 151 CA -0.0066 -0.0063 -0.0025 1580 VAL 151 C -0.0166 -0.0133 -0.0150 1581 VAL 151 O -0.0196 -0.0198 -0.0310 1582 VAL 151 CB 0.0152 -0.0026 -0.0086 1583 VAL 151 CG1 0.0251 0.0006 -0.0069 1584 VAL 151 CG2 0.0256 0.0041 0.0026 1585 VAL 151 H -0.0116 -0.0127 -0.0169 1586 VAL 151 HA -0.0087 -0.0018 0.0120 1587 VAL 151 HB 0.0171 -0.0072 -0.0233 1588 VAL 151 HG11 0.0404 0.0034 -0.0107 1589 VAL 151 HG12 0.0197 -0.0041 -0.0162 1590 VAL 151 HG13 0.0231 0.0051 0.0073 1591 VAL 151 HG21 0.0409 0.0068 -0.0014 1592 VAL 151 HG22 0.0236 0.0088 0.0176 1593 VAL 151 HG23 0.0204 0.0019 0.0003 1594 HIS 152 N -0.0035 -0.0020 -0.0164 1595 HIS 152 CA 0.0012 0.0010 -0.0075 1596 HIS 152 C -0.0018 -0.0000 -0.0109 1597 HIS 152 O -0.0044 -0.0036 -0.0208 1598 HIS 152 CB 0.0148 0.0008 -0.0053 1599 HIS 152 CG 0.0227 -0.0037 -0.0154 1600 HIS 152 ND1 0.0230 -0.0066 -0.0231 1601 HIS 152 CD2 0.0310 -0.0057 -0.0190 1602 HIS 152 CE1 0.0311 -0.0101 -0.0307 1603 HIS 152 NE2 0.0363 -0.0098 -0.0288 1604 HIS 152 H -0.0052 -0.0046 -0.0236 1605 HIS 152 HA -0.0035 0.0043 0.0002 1606 HIS 152 HB3 0.0162 0.0022 -0.0011 1607 HIS 152 HB2 0.0183 0.0028 0.0007 1608 HIS 152 HD1 0.0180 -0.0061 -0.0229 1609 HIS 152 HD2 0.0336 -0.0045 -0.0153 1610 HIS 152 HE1 0.0332 -0.0129 -0.0377 1611 HIS 153 N -0.0014 0.0030 -0.0026 1612 HIS 153 CA -0.0020 0.0023 -0.0046 1613 HIS 153 C 0.0106 0.0004 -0.0073 1614 HIS 153 O 0.0194 0.0010 -0.0039 1615 HIS 153 CB -0.0070 0.0067 0.0060 1616 HIS 153 CG -0.0114 0.0065 0.0044 1617 HIS 153 ND1 -0.0040 0.0061 0.0048 1618 HIS 153 CD2 -0.0228 0.0067 0.0026 1619 HIS 153 CE1 -0.0108 0.0059 0.0031 1620 HIS 153 NE2 -0.0224 0.0063 0.0016 1621 HIS 153 H 0.0021 0.0056 0.0049 1622 HIS 153 HA -0.0081 0.0001 -0.0118 1623 HIS 153 HB3 -0.0002 0.0088 0.0128 1624 HIS 153 HB2 -0.0145 0.0085 0.0090 1625 HIS 153 HD1 0.0052 0.0058 0.0060 1626 HIS 153 HD2 -0.0312 0.0071 0.0020 1627 HIS 153 HE1 -0.0074 0.0056 0.0028 1628 VAL 154 N -0.0005 0.0037 -0.0036 1629 VAL 154 CA -0.0016 0.0009 -0.0002 1630 VAL 154 C -0.0003 0.0041 -0.0041 1631 VAL 154 O 0.0039 0.0083 -0.0077 1632 VAL 154 CB 0.0034 -0.0015 0.0067 1633 VAL 154 CG1 0.0112 0.0017 0.0069 1634 VAL 154 CG2 0.0004 -0.0059 0.0114 1635 VAL 154 H 0.0043 0.0048 -0.0022 1636 VAL 154 HA -0.0071 -0.0018 0.0003 1637 VAL 154 HB 0.0035 -0.0027 0.0085 1638 VAL 154 HG11 0.0145 -0.0001 0.0117 1639 VAL 154 HG12 0.0135 0.0049 0.0036 1640 VAL 154 HG13 0.0118 0.0027 0.0058 1641 VAL 154 HG21 0.0038 -0.0077 0.0162 1642 VAL 154 HG22 0.0001 -0.0051 0.0100 1643 VAL 154 HG23 -0.0049 -0.0084 0.0117 1644 ALA 155 N -0.0040 0.0020 -0.0034 1645 ALA 155 CA -0.0034 0.0043 -0.0064 1646 ALA 155 C 0.0001 0.0024 -0.0014 1647 ALA 155 O 0.0030 0.0052 -0.0037 1648 ALA 155 CB -0.0109 0.0035 -0.0101 1649 ALA 155 OXT -0.0007 -0.0017 0.0043 1650 ALA 155 H -0.0065 -0.0015 0.0003 1651 ALA 155 HA -0.0000 0.0081 -0.0099 1652 ALA 155 HB1 -0.0107 0.0052 -0.0125 1653 ALA 155 HB2 -0.0131 0.0050 -0.0137 1654 ALA 155 HB3 -0.0145 -0.0002 -0.0069 1655 ASP 103 N -0.0028 0.0100 -0.0422 1656 ASP 103 CA -0.0007 0.0174 -0.0371 1657 ASP 103 C 0.0003 0.0004 -0.0301 1658 ASP 103 O 0.0021 0.0042 -0.0254 1659 ASP 103 CB 0.0052 0.0343 -0.0220 1660 ASP 103 CG 0.0049 0.0537 -0.0270 1661 ASP 103 OD1 -0.0001 0.0568 -0.0439 1662 ASP 103 OD2 0.0098 0.0660 -0.0138 1663 ASP 103 H 0.0004 0.0127 -0.0326 1664 ASP 103 HA -0.0043 0.0238 -0.0502 1665 ASP 103 HB2 0.0089 0.0284 -0.0085 1666 ASP 103 HB3 0.0064 0.0390 -0.0188 1667 ASN 57 N 0.0016 0.0136 -0.0031 1668 ASN 57 CA 0.0013 0.0263 -0.0160 1669 ASN 57 C 0.0009 0.0329 -0.0273 1670 ASN 57 O 0.0002 0.0374 -0.0431 1671 ASN 57 CB 0.0003 0.0174 -0.0274 1672 ASN 57 CG 0.0006 0.0093 -0.0171 1673 ASN 57 OD1 -0.0004 -0.0030 -0.0237 1674 ASN 57 ND2 0.0018 0.0158 -0.0012 1675 ASN 57 H 0.0008 0.0032 -0.0081 1676 ASN 57 HA 0.0023 0.0381 -0.0094 1677 ASN 57 HXT 0.0014 0.0335 -0.0205 1678 ASN 57 HB2 -0.0007 0.0070 -0.0359 1679 ASN 57 HB3 0.0001 0.0274 -0.0365 1680 ASN 57 HD22 0.0020 0.0106 0.0052 1681 ASN 57 HD21 0.0026 0.0249 0.0053 1682 SER 64 N 0.0139 0.0095 -0.0148 1683 SER 64 CA 0.0107 0.0089 -0.0131 1684 SER 64 C 0.0082 0.0085 -0.0146 1685 SER 64 O 0.0088 0.0086 -0.0147 1686 SER 64 CB 0.0110 0.0091 -0.0094 1687 SER 64 OG 0.0123 0.0093 -0.0086 1688 SER 64 H1 0.0153 0.0097 -0.0144 1689 SER 64 H2 0.0136 0.0094 -0.0173 1690 SER 64 HA 0.0097 0.0087 -0.0136 1691 SER 64 HB2 0.0087 0.0086 -0.0081 1692 SER 64 HB3 0.0126 0.0094 -0.0084 1693 SER 64 HG 0.0139 0.0096 -0.0103 1694 ASP 65 N 0.0052 0.0079 -0.0153 1695 ASP 65 CA 0.0024 0.0074 -0.0163 1696 ASP 65 C 0.0012 0.0072 -0.0138 1697 ASP 65 O -0.0014 0.0067 -0.0143 1698 ASP 65 CB -0.0006 0.0068 -0.0172 1699 ASP 65 CG -0.0000 0.0069 -0.0195 1700 ASP 65 OD1 0.0026 0.0073 -0.0209 1701 ASP 65 OD2 -0.0024 0.0065 -0.0198 1702 ASP 65 H 0.0051 0.0079 -0.0159 1703 ASP 65 HA 0.0031 0.0075 -0.0185 1704 ASP 65 HB2 -0.0017 0.0067 -0.0150 1705 ASP 65 HB3 -0.0024 0.0065 -0.0184 1706 TYR 85 N -0.0093 -0.0057 0.0057 1707 TYR 85 CA -0.0066 -0.0056 0.0059 1708 TYR 85 C -0.0061 -0.0082 0.0063 1709 TYR 85 O -0.0065 -0.0103 0.0066 1710 TYR 85 CB -0.0047 -0.0053 0.0059 1711 TYR 85 CG -0.0018 -0.0052 0.0061 1712 TYR 85 CD1 -0.0005 -0.0028 0.0057 1713 TYR 85 CD2 -0.0003 -0.0075 0.0065 1714 TYR 85 CE1 0.0021 -0.0027 0.0059 1715 TYR 85 CE2 0.0023 -0.0074 0.0067 1716 TYR 85 CZ 0.0036 -0.0050 0.0063 1717 TYR 85 OH 0.0062 -0.0048 0.0065 1718 TYR 85 H -0.0099 -0.0074 0.0060 1719 TYR 85 HA -0.0062 -0.0039 0.0056 1720 TYR 85 HB2 -0.0052 -0.0035 0.0056 1721 TYR 85 HB3 -0.0050 -0.0068 0.0062 1722 TYR 85 HD1 -0.0016 -0.0010 0.0054 1723 TYR 85 HD2 -0.0013 -0.0094 0.0068 1724 TYR 85 HE1 0.0031 -0.0008 0.0056 1725 TYR 85 HE2 0.0034 -0.0092 0.0070 1726 TYR 85 HH 0.0072 -0.0063 0.0068 1727 PHE 41 N 0.0174 -0.0000 0.0062 1728 PHE 41 CA 0.0183 -0.0009 0.0058 1729 PHE 41 C 0.0176 -0.0003 0.0059 1730 PHE 41 O 0.0181 -0.0001 0.0071 1731 PHE 41 CB 0.0197 -0.0015 0.0069 1732 PHE 41 CG 0.0204 -0.0021 0.0067 1733 PHE 41 CD1 0.0208 -0.0031 0.0053 1734 PHE 41 CD2 0.0206 -0.0017 0.0078 1735 PHE 41 CE1 0.0213 -0.0037 0.0051 1736 PHE 41 CE2 0.0212 -0.0023 0.0076 1737 PHE 41 CZ 0.0215 -0.0033 0.0062 1738 PHE 41 H 0.0174 0.0006 0.0073 1739 PHE 41 HA 0.0183 -0.0015 0.0047 1740 PHE 41 HB3 0.0203 -0.0021 0.0066 1741 PHE 41 HB2 0.0198 -0.0009 0.0081 1742 PHE 41 HD1 0.0206 -0.0034 0.0045 1743 PHE 41 HD2 0.0203 -0.0010 0.0088 1744 PHE 41 HE1 0.0216 -0.0044 0.0041 1745 PHE 41 HE2 0.0213 -0.0020 0.0084 1746 PHE 41 HZ 0.0219 -0.0037 0.0060 1747 PRO 42 N 0.0165 -0.0001 0.0048 1748 PRO 42 CA 0.0159 0.0004 0.0047 1749 PRO 42 C 0.0169 -0.0005 0.0045 1750 PRO 42 O 0.0176 -0.0015 0.0036 1751 PRO 42 CB 0.0147 0.0007 0.0033 1752 PRO 42 CG 0.0150 -0.0002 0.0023 1753 PRO 42 CD 0.0159 -0.0003 0.0034 1754 PRO 42 HA 0.0156 0.0011 0.0057 1755 PRO 42 HB3 0.0138 0.0015 0.0037 1756 PRO 42 HB2 0.0143 0.0006 0.0027 1757 PRO 42 HG3 0.0142 0.0001 0.0015 1758 PRO 42 HG2 0.0157 -0.0010 0.0017 1759 PRO 42 HD2 0.0166 -0.0011 0.0029 1760 PRO 42 HD3 0.0153 0.0004 0.0037 1761 ARG 43 N 0.0138 0.0015 0.0092 1762 ARG 43 CA 0.0136 0.0010 0.0113 1763 ARG 43 C 0.0137 0.0018 0.0097 1764 ARG 43 O 0.0138 0.0002 0.0105 1765 ARG 43 CB 0.0129 0.0031 0.0143 1766 ARG 43 CG 0.0126 0.0033 0.0166 1767 ARG 43 CD 0.0119 0.0054 0.0194 1768 ARG 43 NE 0.0116 0.0061 0.0214 1769 ARG 43 CZ 0.0114 0.0082 0.0208 1770 ARG 43 NH1 0.0116 0.0099 0.0181 1771 ARG 43 NH2 0.0111 0.0087 0.0229 1772 ARG 43 H 0.0136 0.0030 0.0098 1773 ARG 43 HA 0.0138 -0.0014 0.0121 1774 ARG 43 HB3 0.0128 0.0055 0.0135 1775 ARG 43 HB2 0.0129 0.0022 0.0155 1776 ARG 43 HG3 0.0127 0.0009 0.0174 1777 ARG 43 HG2 0.0127 0.0040 0.0154 1778 ARG 43 HD3 0.0118 0.0075 0.0187 1779 ARG 43 HD2 0.0119 0.0040 0.0209 1780 ARG 43 HH22 0.0109 0.0102 0.0225 1781 ARG 43 HH21 0.0109 0.0076 0.0250 1782 ARG 43 HH12 0.0115 0.0116 0.0176 1783 ARG 43 HH11 0.0119 0.0093 0.0162 1784 ARG 43 HE 0.0114 0.0050 0.0235 1785 THR 44 N 0.0137 0.0042 0.0077 1786 THR 44 CA 0.0138 0.0055 0.0064 1787 THR 44 C 0.0142 0.0059 0.0029 1788 THR 44 O 0.0142 0.0073 0.0019 1789 THR 44 CB 0.0132 0.0087 0.0079 1790 THR 44 OG1 0.0128 0.0083 0.0112 1791 THR 44 CG2 0.0132 0.0102 0.0067 1792 THR 44 H 0.0137 0.0052 0.0069 1793 THR 44 HA 0.0139 0.0038 0.0068 1794 THR 44 HB 0.0130 0.0104 0.0074 1795 THR 44 HG1 0.0129 0.0068 0.0115 1796 THR 44 HG21 0.0127 0.0124 0.0079 1797 THR 44 HG22 0.0135 0.0107 0.0042 1798 THR 44 HG23 0.0133 0.0086 0.0072 1799 VAL 45 N 0.0105 0.0028 0.0022 1800 VAL 45 CA 0.0101 0.0027 0.0005 1801 VAL 45 C 0.0100 0.0028 -0.0001 1802 VAL 45 O 0.0102 0.0024 0.0009 1803 VAL 45 CB 0.0100 0.0011 -0.0002 1804 VAL 45 CG1 0.0102 0.0011 0.0003 1805 VAL 45 CG2 0.0102 -0.0005 0.0001 1806 VAL 45 H 0.0106 0.0019 0.0028 1807 VAL 45 HA 0.0099 0.0038 -0.0000 1808 VAL 45 HB 0.0097 0.0013 -0.0015 1809 VAL 45 HG11 0.0101 0.0001 -0.0003 1810 VAL 45 HG12 0.0100 0.0023 0.0001 1811 VAL 45 HG13 0.0104 0.0009 0.0016 1812 VAL 45 HG21 0.0102 -0.0016 -0.0004 1813 VAL 45 HG22 0.0105 -0.0007 0.0014 1814 VAL 45 HG23 0.0101 -0.0006 -0.0004 1815 MET 46 N 0.0096 0.0033 -0.0016 1816 MET 46 CA 0.0094 0.0033 -0.0024 1817 MET 46 C 0.0093 0.0017 -0.0034 1818 MET 46 O 0.0092 0.0011 -0.0042 1819 MET 46 CB 0.0091 0.0048 -0.0036 1820 MET 46 CG 0.0092 0.0065 -0.0027 1821 MET 46 SD 0.0088 0.0082 -0.0040 1822 MET 46 CE 0.0086 0.0083 -0.0047 1823 MET 46 H 0.0094 0.0036 -0.0023 1824 MET 46 HA 0.0096 0.0034 -0.0015 1825 MET 46 HB3 0.0089 0.0046 -0.0043 1826 MET 46 HB2 0.0089 0.0048 -0.0044 1827 MET 46 HG3 0.0093 0.0066 -0.0019 1828 MET 46 HG2 0.0093 0.0065 -0.0019 1829 MET 46 HE1 0.0084 0.0094 -0.0055 1830 MET 46 HE2 0.0088 0.0084 -0.0037 1831 MET 46 HE3 0.0085 0.0072 -0.0055 1832 VAL 47 N 0.0031 0.0048 -0.0039 1833 VAL 47 CA 0.0022 0.0025 -0.0050 1834 VAL 47 C 0.0015 0.0021 -0.0059 1835 VAL 47 O 0.0023 0.0022 -0.0048 1836 VAL 47 CB 0.0030 0.0002 -0.0035 1837 VAL 47 CG1 0.0022 -0.0023 -0.0046 1838 VAL 47 CG2 0.0037 0.0006 -0.0024 1839 VAL 47 H 0.0038 0.0050 -0.0028 1840 VAL 47 HA 0.0014 0.0025 -0.0062 1841 VAL 47 HB 0.0039 0.0001 -0.0022 1842 VAL 47 HG11 0.0028 -0.0039 -0.0035 1843 VAL 47 HG12 0.0018 -0.0028 -0.0051 1844 VAL 47 HG13 0.0013 -0.0024 -0.0059 1845 VAL 47 HG21 0.0042 -0.0011 -0.0015 1846 VAL 47 HG22 0.0030 0.0010 -0.0036 1847 VAL 47 HG23 0.0046 0.0021 -0.0014 1848 ASN 48 N 0.0002 0.0015 -0.0079 1849 ASN 48 CA -0.0006 0.0007 -0.0091 1850 ASN 48 C -0.0006 -0.0022 -0.0087 1851 ASN 48 O -0.0011 -0.0036 -0.0094 1852 ASN 48 CB -0.0021 0.0015 -0.0114 1853 ASN 48 CG -0.0031 0.0012 -0.0128 1854 ASN 48 OD1 -0.0028 -0.0001 -0.0123 1855 ASN 48 ND2 -0.0042 0.0024 -0.0147 1856 ASN 48 H -0.0004 0.0016 -0.0088 1857 ASN 48 HA -0.0002 0.0016 -0.0085 1858 ASN 48 HB3 -0.0027 0.0005 -0.0121 1859 ASN 48 HB2 -0.0021 0.0035 -0.0115 1860 ASN 48 HD22 -0.0049 0.0022 -0.0157 1861 ASN 48 HD21 -0.0045 0.0033 -0.0152 1862 LEU 49 N -0.0022 0.0005 -0.0089 1863 LEU 49 CA -0.0019 -0.0021 -0.0083 1864 LEU 49 C -0.0037 -0.0039 -0.0095 1865 LEU 49 O -0.0036 -0.0061 -0.0092 1866 LEU 49 CB -0.0002 -0.0028 -0.0066 1867 LEU 49 CG 0.0018 -0.0015 -0.0051 1868 LEU 49 CD1 0.0034 -0.0025 -0.0036 1869 LEU 49 CD2 0.0021 -0.0019 -0.0048 1870 LEU 49 H -0.0016 0.0014 -0.0085 1871 LEU 49 HA -0.0017 -0.0024 -0.0080 1872 LEU 49 HB3 -0.0001 -0.0048 -0.0063 1873 LEU 49 HB2 -0.0004 -0.0024 -0.0069 1874 LEU 49 HG 0.0018 0.0005 -0.0054 1875 LEU 49 HD11 0.0048 -0.0018 -0.0025 1876 LEU 49 HD12 0.0033 -0.0020 -0.0037 1877 LEU 49 HD13 0.0033 -0.0046 -0.0034 1878 LEU 49 HD21 0.0036 -0.0013 -0.0036 1879 LEU 49 HD22 0.0018 -0.0038 -0.0048 1880 LEU 49 HD23 0.0012 -0.0008 -0.0057 1881 ASN 50 N -0.0052 -0.0030 -0.0109 1882 ASN 50 CA -0.0069 -0.0045 -0.0123 1883 ASN 50 C -0.0081 -0.0050 -0.0132 1884 ASN 50 O -0.0094 -0.0036 -0.0145 1885 ASN 50 CB -0.0081 -0.0032 -0.0134 1886 ASN 50 CG -0.0074 -0.0034 -0.0128 1887 ASN 50 OD1 -0.0063 -0.0049 -0.0116 1888 ASN 50 ND2 -0.0080 -0.0019 -0.0135 1889 ASN 50 H -0.0051 -0.0011 -0.0112 1890 ASN 50 HA -0.0065 -0.0063 -0.0117 1891 ASN 50 HB3 -0.0095 -0.0041 -0.0146 1892 ASN 50 HB2 -0.0082 -0.0013 -0.0138 1893 ASN 50 HD22 -0.0076 -0.0022 -0.0132 1894 ASN 50 HD21 -0.0090 -0.0007 -0.0145 1895 ILE 51 N -0.0099 0.0026 -0.0119 1896 ILE 51 CA -0.0096 0.0031 -0.0117 1897 ILE 51 C -0.0090 0.0032 -0.0108 1898 ILE 51 O -0.0088 0.0034 -0.0105 1899 ILE 51 CB -0.0097 0.0041 -0.0121 1900 ILE 51 CG1 -0.0103 0.0040 -0.0131 1901 ILE 51 CG2 -0.0095 0.0046 -0.0119 1902 ILE 51 CD1 -0.0105 0.0050 -0.0135 1903 ILE 51 H -0.0102 0.0028 -0.0125 1904 ILE 51 HA -0.0098 0.0027 -0.0118 1905 ILE 51 HB -0.0096 0.0045 -0.0120 1906 ILE 51 HG13 -0.0105 0.0036 -0.0132 1907 ILE 51 HG12 -0.0105 0.0038 -0.0132 1908 ILE 51 HG21 -0.0096 0.0053 -0.0123 1909 ILE 51 HG22 -0.0091 0.0048 -0.0113 1910 ILE 51 HG23 -0.0096 0.0042 -0.0120 1911 ILE 51 HD11 -0.0109 0.0049 -0.0141 1912 ILE 51 HD12 -0.0104 0.0052 -0.0134 1913 ILE 51 HD13 -0.0103 0.0055 -0.0134 1914 HIS 52 N -0.0088 0.0032 -0.0104 1915 HIS 52 CA -0.0082 0.0035 -0.0096 1916 HIS 52 C -0.0081 0.0044 -0.0097 1917 HIS 52 O -0.0084 0.0045 -0.0102 1918 HIS 52 CB -0.0080 0.0028 -0.0091 1919 HIS 52 CG -0.0079 0.0020 -0.0087 1920 HIS 52 ND1 -0.0080 0.0020 -0.0089 1921 HIS 52 CD2 -0.0076 0.0014 -0.0081 1922 HIS 52 CE1 -0.0078 0.0013 -0.0085 1923 HIS 52 NE2 -0.0076 0.0009 -0.0080 1924 HIS 52 H -0.0090 0.0030 -0.0107 1925 HIS 52 HA -0.0080 0.0037 -0.0094 1926 HIS 52 HB3 -0.0076 0.0031 -0.0086 1927 HIS 52 HB2 -0.0082 0.0024 -0.0093 1928 HIS 52 HD1 -0.0082 0.0024 -0.0094 1929 HIS 52 HD2 -0.0074 0.0012 -0.0078 1930 HIS 52 HE1 -0.0079 0.0011 -0.0085 1931 ASN 53 N -0.0028 0.0118 -0.0128 1932 ASN 53 CA 0.0000 0.0121 -0.0129 1933 ASN 53 C 0.0029 0.0104 -0.0108 1934 ASN 53 O 0.0037 0.0102 -0.0105 1935 ASN 53 CB 0.0017 0.0146 -0.0157 1936 ASN 53 CG -0.0007 0.0165 -0.0181 1937 ASN 53 OD1 0.0005 0.0183 -0.0201 1938 ASN 53 ND2 -0.0042 0.0160 -0.0178 1939 ASN 53 H -0.0022 0.0125 -0.0135 1940 ASN 53 HA -0.0010 0.0117 -0.0126 1941 ASN 53 HB3 0.0040 0.0147 -0.0157 1942 ASN 53 HB2 0.0026 0.0151 -0.0162 1943 ASN 53 HD22 -0.0057 0.0174 -0.0194 1944 ASN 53 HD21 -0.0052 0.0145 -0.0161 1945 ARG 54 N 0.0043 0.0092 -0.0094 1946 ARG 54 CA 0.0070 0.0075 -0.0073 1947 ARG 54 C 0.0094 0.0080 -0.0077 1948 ARG 54 O 0.0100 0.0066 -0.0060 1949 ARG 54 CB 0.0052 0.0050 -0.0045 1950 ARG 54 CG 0.0079 0.0032 -0.0022 1951 ARG 54 CD 0.0063 0.0007 0.0006 1952 ARG 54 NE 0.0035 0.0004 0.0008 1953 ARG 54 CZ 0.0036 0.0002 0.0010 1954 ARG 54 NH1 0.0067 0.0000 0.0014 1955 ARG 54 NH2 0.0006 0.0001 0.0009 1956 ARG 54 H 0.0032 0.0093 -0.0096 1957 ARG 54 HA 0.0085 0.0078 -0.0075 1958 ARG 54 HXT 0.0106 0.0098 -0.0096 1959 ARG 54 HB3 0.0038 0.0047 -0.0042 1960 ARG 54 HB2 0.0032 0.0050 -0.0046 1961 ARG 54 HG3 0.0091 0.0036 -0.0026 1962 ARG 54 HG2 0.0100 0.0032 -0.0021 1963 ARG 54 HD3 0.0083 -0.0006 0.0021 1964 ARG 54 HD2 0.0051 0.0002 0.0010 1965 ARG 54 HH22 0.0003 -0.0002 0.0012 1966 ARG 54 HH21 -0.0016 0.0003 0.0005 1967 ARG 54 HH12 0.0069 -0.0000 0.0015 1968 ARG 54 HH11 0.0089 0.0000 0.0015 1969 ARG 54 HE 0.0011 0.0003 0.0007 1970 SER 64 N 0.0151 -0.0414 0.0746 1971 SER 64 CA 0.0142 -0.0513 0.0473 1972 SER 64 C 0.0085 -0.0338 0.0253 1973 SER 64 O 0.0068 -0.0380 0.0017 1974 SER 64 CB 0.0195 -0.0806 0.0428 1975 SER 64 OG 0.0242 -0.0959 0.0592 1976 SER 64 H1 0.0191 -0.0565 0.0847 1977 SER 64 H2 0.0154 -0.0373 0.0849 1978 SER 64 HA 0.0135 -0.0492 0.0445 1979 SER 64 HB3 0.0185 -0.0866 0.0221 1980 SER 64 HB2 0.0207 -0.0846 0.0473 1981 SER 64 HG 0.0275 -0.1141 0.0571 1982 TYR 66 N -0.0026 0.0008 0.0035 1983 TYR 66 CA -0.0028 0.0015 0.0023 1984 TYR 66 C -0.0037 0.0020 -0.0006 1985 TYR 66 O -0.0037 0.0038 -0.0016 1986 TYR 66 CB -0.0030 -0.0006 0.0030 1987 TYR 66 CG -0.0022 -0.0011 0.0058 1988 TYR 66 CD1 -0.0012 0.0008 0.0076 1989 TYR 66 CD2 -0.0024 -0.0034 0.0065 1990 TYR 66 CE1 -0.0005 0.0003 0.0101 1991 TYR 66 CE2 -0.0016 -0.0038 0.0090 1992 TYR 66 CZ -0.0007 -0.0020 0.0108 1993 TYR 66 OH 0.0000 -0.0023 0.0132 1994 TYR 66 H -0.0026 -0.0010 0.0044 1995 TYR 66 HA -0.0022 0.0034 0.0031 1996 TYR 66 HB3 -0.0032 -0.0001 0.0020 1997 TYR 66 HB2 -0.0035 -0.0025 0.0023 1998 TYR 66 HD1 -0.0011 0.0026 0.0072 1999 TYR 66 HD2 -0.0031 -0.0048 0.0051 2000 TYR 66 HE1 0.0002 0.0017 0.0115 2001 TYR 66 HE2 -0.0018 -0.0056 0.0094 2002 TYR 66 HH -0.0002 -0.0039 0.0134 2003 TYR 67 N -0.0043 0.0006 -0.0017 2004 TYR 67 CA -0.0051 0.0009 -0.0045 2005 TYR 67 C -0.0049 0.0036 -0.0053 2006 TYR 67 O -0.0055 0.0045 -0.0074 2007 TYR 67 CB -0.0058 -0.0014 -0.0052 2008 TYR 67 CG -0.0056 -0.0012 -0.0048 2009 TYR 67 CD1 -0.0048 -0.0013 -0.0023 2010 TYR 67 CD2 -0.0063 -0.0009 -0.0069 2011 TYR 67 CE1 -0.0047 -0.0009 -0.0020 2012 TYR 67 CE2 -0.0061 -0.0006 -0.0066 2013 TYR 67 CZ -0.0053 -0.0005 -0.0041 2014 TYR 67 OH -0.0051 -0.0000 -0.0038 2015 TYR 67 H -0.0042 -0.0008 -0.0007 2016 TYR 67 HA -0.0055 0.0008 -0.0055 2017 TYR 67 HB3 -0.0059 -0.0033 -0.0044 2018 TYR 67 HB2 -0.0065 -0.0016 -0.0073 2019 TYR 67 HD1 -0.0044 -0.0016 -0.0007 2020 TYR 67 HD2 -0.0069 -0.0010 -0.0088 2021 TYR 67 HE1 -0.0040 -0.0009 -0.0001 2022 TYR 67 HE2 -0.0066 -0.0003 -0.0082 2023 TYR 67 HH -0.0056 -0.0005 -0.0052 2024 ASN 68 N -0.0070 -0.0000 0.0025 2025 ASN 68 CA -0.0061 0.0021 0.0016 2026 ASN 68 C -0.0049 0.0047 0.0029 2027 ASN 68 O -0.0040 0.0067 0.0014 2028 ASN 68 CB -0.0064 0.0014 0.0026 2029 ASN 68 CG -0.0072 -0.0005 0.0007 2030 ASN 68 OD1 -0.0071 -0.0006 -0.0019 2031 ASN 68 ND2 -0.0079 -0.0022 0.0019 2032 ASN 68 H -0.0074 -0.0007 0.0045 2033 ASN 68 HA -0.0060 0.0022 -0.0007 2034 ASN 68 HB3 -0.0056 0.0032 0.0025 2035 ASN 68 HB2 -0.0067 0.0008 0.0048 2036 ASN 68 HD22 -0.0085 -0.0036 0.0008 2037 ASN 68 HD21 -0.0080 -0.0021 0.0041 2038 ARG 69 N -0.0050 0.0048 0.0058 2039 ARG 69 CA -0.0040 0.0072 0.0075 2040 ARG 69 C -0.0034 0.0084 0.0070 2041 ARG 69 O -0.0025 0.0106 0.0081 2042 ARG 69 CB -0.0043 0.0065 0.0107 2043 ARG 69 CG -0.0047 0.0056 0.0117 2044 ARG 69 CD -0.0054 0.0042 0.0146 2045 ARG 69 NE -0.0048 0.0057 0.0169 2046 ARG 69 CZ -0.0053 0.0047 0.0193 2047 ARG 69 NH1 -0.0046 0.0063 0.0209 2048 ARG 69 NH2 -0.0064 0.0022 0.0200 2049 ARG 69 H -0.0058 0.0030 0.0069 2050 ARG 69 HA -0.0033 0.0087 0.0069 2051 ARG 69 HB3 -0.0036 0.0083 0.0120 2052 ARG 69 HB2 -0.0050 0.0050 0.0113 2053 ARG 69 HG3 -0.0053 0.0042 0.0101 2054 ARG 69 HG2 -0.0040 0.0073 0.0117 2055 ARG 69 HD3 -0.0063 0.0022 0.0143 2056 ARG 69 HD2 -0.0055 0.0040 0.0154 2057 ARG 69 HH22 -0.0068 0.0014 0.0218 2058 ARG 69 HH21 -0.0069 0.0010 0.0190 2059 ARG 69 HH12 -0.0049 0.0058 0.0227 2060 ARG 69 HH11 -0.0038 0.0083 0.0203 2061 ARG 69 HE -0.0040 0.0077 0.0166 2062 SER 70 N -0.0029 0.0029 0.0013 2063 SER 70 CA -0.0029 0.0028 0.0016 2064 SER 70 C -0.0027 0.0026 0.0018 2065 SER 70 O -0.0027 0.0025 0.0018 2066 SER 70 CB -0.0030 0.0031 0.0018 2067 SER 70 OG -0.0029 0.0030 0.0021 2068 SER 70 H -0.0030 0.0031 0.0013 2069 SER 70 HA -0.0028 0.0027 0.0015 2070 SER 70 HB3 -0.0030 0.0032 0.0019 2071 SER 70 HB2 -0.0031 0.0032 0.0017 2072 SER 70 HG -0.0030 0.0031 0.0021 2073 THR 71 N -0.0026 0.0024 0.0019 2074 THR 71 CA -0.0025 0.0022 0.0021 2075 THR 71 C -0.0026 0.0023 0.0024 2076 THR 71 O -0.0025 0.0022 0.0026 2077 THR 71 CB -0.0024 0.0020 0.0022 2078 THR 71 OG1 -0.0025 0.0021 0.0023 2079 THR 71 CG2 -0.0024 0.0018 0.0019 2080 THR 71 H -0.0027 0.0024 0.0019 2081 THR 71 HA -0.0025 0.0020 0.0020 2082 THR 71 HB -0.0024 0.0018 0.0024 2083 THR 71 HG1 -0.0026 0.0022 0.0021 2084 THR 71 HG21 -0.0023 0.0016 0.0020 2085 THR 71 HG22 -0.0023 0.0016 0.0019 2086 THR 71 HG23 -0.0024 0.0019 0.0017 2087 SER 72 N -0.0005 0.0006 -0.0014 2088 SER 72 CA -0.0013 0.0010 -0.0007 2089 SER 72 C -0.0022 0.0019 -0.0014 2090 SER 72 O -0.0030 0.0024 -0.0011 2091 SER 72 CB -0.0015 0.0010 0.0006 2092 SER 72 OG -0.0017 0.0012 0.0005 2093 SER 72 H -0.0008 0.0008 -0.0017 2094 SER 72 HA -0.0010 0.0008 -0.0006 2095 SER 72 HB3 -0.0008 0.0004 0.0011 2096 SER 72 HB2 -0.0021 0.0014 0.0011 2097 SER 72 HG -0.0021 0.0016 -0.0002 2098 PRO 73 N -0.0021 0.0020 -0.0025 2099 PRO 73 CA -0.0029 0.0028 -0.0034 2100 PRO 73 C -0.0038 0.0034 -0.0029 2101 PRO 73 O -0.0038 0.0033 -0.0021 2102 PRO 73 CB -0.0024 0.0026 -0.0046 2103 PRO 73 CG -0.0016 0.0019 -0.0041 2104 PRO 73 CD -0.0013 0.0014 -0.0030 2105 PRO 73 HA -0.0031 0.0030 -0.0036 2106 PRO 73 HB3 -0.0020 0.0023 -0.0052 2107 PRO 73 HB2 -0.0029 0.0031 -0.0052 2108 PRO 73 HG3 -0.0010 0.0016 -0.0048 2109 PRO 73 HG2 -0.0020 0.0022 -0.0038 2110 PRO 73 HD2 -0.0010 0.0011 -0.0023 2111 PRO 73 HD3 -0.0006 0.0010 -0.0033 2112 TRP 74 N -0.0033 0.0080 -0.0063 2113 TRP 74 CA -0.0060 0.0084 -0.0061 2114 TRP 74 C -0.0062 0.0108 -0.0073 2115 TRP 74 O -0.0040 0.0120 -0.0081 2116 TRP 74 CB -0.0067 0.0059 -0.0049 2117 TRP 74 CG -0.0049 0.0052 -0.0047 2118 TRP 74 CD1 -0.0054 0.0061 -0.0051 2119 TRP 74 CD2 -0.0023 0.0036 -0.0042 2120 TRP 74 NE1 -0.0034 0.0049 -0.0048 2121 TRP 74 CE2 -0.0014 0.0034 -0.0042 2122 TRP 74 CE3 -0.0007 0.0022 -0.0037 2123 TRP 74 CZ2 0.0010 0.0018 -0.0038 2124 TRP 74 CZ3 0.0017 0.0006 -0.0033 2125 TRP 74 CH2 0.0026 0.0004 -0.0033 2126 TRP 74 H -0.0016 0.0085 -0.0067 2127 TRP 74 HA -0.0077 0.0087 -0.0061 2128 TRP 74 HB3 -0.0066 0.0043 -0.0041 2129 TRP 74 HB2 -0.0088 0.0061 -0.0047 2130 TRP 74 HD1 -0.0071 0.0073 -0.0055 2131 TRP 74 HE1 -0.0033 0.0052 -0.0049 2132 TRP 74 HE3 -0.0012 0.0023 -0.0037 2133 TRP 74 HZ2 0.0016 0.0016 -0.0037 2134 TRP 74 HZ3 0.0030 -0.0004 -0.0029 2135 TRP 74 HH2 0.0044 -0.0008 -0.0029 2136 ASN 75 N -0.0087 0.0115 -0.0073 2137 ASN 75 CA -0.0094 0.0136 -0.0083 2138 ASN 75 C -0.0110 0.0124 -0.0075 2139 ASN 75 O -0.0126 0.0107 -0.0065 2140 ASN 75 CB -0.0115 0.0157 -0.0091 2141 ASN 75 CG -0.0103 0.0170 -0.0098 2142 ASN 75 OD1 -0.0078 0.0169 -0.0101 2143 ASN 75 ND2 -0.0122 0.0181 -0.0101 2144 ASN 75 H -0.0104 0.0105 -0.0066 2145 ASN 75 HA -0.0075 0.0145 -0.0089 2146 ASN 75 HB3 -0.0120 0.0172 -0.0097 2147 ASN 75 HB2 -0.0135 0.0149 -0.0084 2148 ASN 75 HD22 -0.0116 0.0190 -0.0106 2149 ASN 75 HD21 -0.0143 0.0183 -0.0100 2150 LEU 76 N -0.0085 0.0248 -0.0081 2151 LEU 76 CA -0.0080 0.0214 -0.0088 2152 LEU 76 C -0.0104 0.0229 -0.0094 2153 LEU 76 O -0.0100 0.0265 -0.0083 2154 LEU 76 CB -0.0035 0.0202 -0.0072 2155 LEU 76 CG -0.0009 0.0181 -0.0067 2156 LEU 76 CD1 0.0036 0.0175 -0.0050 2157 LEU 76 CD2 -0.0024 0.0139 -0.0084 2158 LEU 76 H -0.0068 0.0273 -0.0068 2159 LEU 76 HA -0.0093 0.0185 -0.0100 2160 LEU 76 HB3 -0.0033 0.0179 -0.0077 2161 LEU 76 HB2 -0.0021 0.0230 -0.0060 2162 LEU 76 HG -0.0011 0.0204 -0.0062 2163 LEU 76 HD11 0.0055 0.0161 -0.0045 2164 LEU 76 HD12 0.0048 0.0205 -0.0037 2165 LEU 76 HD13 0.0041 0.0153 -0.0053 2166 LEU 76 HD21 0.0001 0.0114 -0.0079 2167 LEU 76 HD22 -0.0044 0.0125 -0.0095 2168 LEU 76 HD23 -0.0041 0.0143 -0.0089 2169 HIS 77 N -0.0128 0.0201 -0.0111 2170 HIS 77 CA -0.0149 0.0208 -0.0118 2171 HIS 77 C -0.0131 0.0175 -0.0118 2172 HIS 77 O -0.0120 0.0139 -0.0123 2173 HIS 77 CB -0.0195 0.0203 -0.0138 2174 HIS 77 CG -0.0217 0.0240 -0.0138 2175 HIS 77 ND1 -0.0215 0.0242 -0.0136 2176 HIS 77 CD2 -0.0241 0.0276 -0.0139 2177 HIS 77 CE1 -0.0236 0.0278 -0.0136 2178 HIS 77 NE2 -0.0253 0.0300 -0.0138 2179 HIS 77 H -0.0129 0.0172 -0.0118 2180 HIS 77 HA -0.0146 0.0240 -0.0108 2181 HIS 77 HB3 -0.0210 0.0202 -0.0144 2182 HIS 77 HB2 -0.0199 0.0173 -0.0147 2183 HIS 77 HD1 -0.0199 0.0220 -0.0135 2184 HIS 77 HD2 -0.0250 0.0286 -0.0140 2185 HIS 77 HE1 -0.0240 0.0289 -0.0135 2186 ARG 78 N -0.0008 0.0078 -0.0209 2187 ARG 78 CA -0.0039 0.0040 -0.0194 2188 ARG 78 C -0.0037 0.0024 -0.0222 2189 ARG 78 O -0.0032 0.0003 -0.0262 2190 ARG 78 CB -0.0057 0.0006 -0.0201 2191 ARG 78 CG -0.0092 -0.0032 -0.0177 2192 ARG 78 CD -0.0109 -0.0063 -0.0183 2193 ARG 78 NE -0.0142 -0.0104 -0.0168 2194 ARG 78 CZ -0.0152 -0.0138 -0.0193 2195 ARG 78 NH1 -0.0182 -0.0172 -0.0174 2196 ARG 78 NH2 -0.0134 -0.0139 -0.0235 2197 ARG 78 H 0.0001 0.0072 -0.0238 2198 ARG 78 HA -0.0050 0.0049 -0.0157 2199 ARG 78 HB3 -0.0049 -0.0006 -0.0238 2200 ARG 78 HB2 -0.0054 0.0021 -0.0187 2201 ARG 78 HG3 -0.0099 -0.0017 -0.0140 2202 ARG 78 HG2 -0.0098 -0.0048 -0.0188 2203 ARG 78 HD3 -0.0097 -0.0068 -0.0218 2204 ARG 78 HD2 -0.0111 -0.0048 -0.0159 2205 ARG 78 HH22 -0.0144 -0.0165 -0.0250 2206 ARG 78 HH21 -0.0111 -0.0115 -0.0252 2207 ARG 78 HH12 -0.0190 -0.0193 -0.0187 2208 ARG 78 HH11 -0.0199 -0.0177 -0.0144 2209 ARG 78 HE -0.0156 -0.0104 -0.0135 2210 ASN 79 N -0.0040 0.0034 -0.0201 2211 ASN 79 CA -0.0041 0.0020 -0.0219 2212 ASN 79 C -0.0074 -0.0023 -0.0204 2213 ASN 79 O -0.0092 -0.0021 -0.0162 2214 ASN 79 CB -0.0026 0.0058 -0.0198 2215 ASN 79 CG -0.0026 0.0053 -0.0205 2216 ASN 79 OD1 -0.0045 0.0018 -0.0213 2217 ASN 79 ND2 -0.0005 0.0090 -0.0200 2218 ASN 79 H -0.0045 0.0050 -0.0167 2219 ASN 79 HA -0.0027 0.0015 -0.0257 2220 ASN 79 HB3 -0.0037 0.0067 -0.0160 2221 ASN 79 HB2 -0.0002 0.0086 -0.0211 2222 ASN 79 HD22 -0.0003 0.0090 -0.0205 2223 ASN 79 HD21 0.0010 0.0120 -0.0190 2224 GLU 80 N 0.0031 -0.0092 -0.0210 2225 GLU 80 CA -0.0009 -0.0098 -0.0209 2226 GLU 80 C 0.0004 -0.0085 -0.0201 2227 GLU 80 O 0.0044 -0.0088 -0.0209 2228 GLU 80 CB -0.0031 -0.0138 -0.0238 2229 GLU 80 CG -0.0078 -0.0144 -0.0236 2230 GLU 80 CD -0.0107 -0.0180 -0.0260 2231 GLU 80 OE1 -0.0087 -0.0210 -0.0285 2232 GLU 80 OE2 -0.0149 -0.0178 -0.0253 2233 GLU 80 H 0.0059 -0.0106 -0.0225 2234 GLU 80 HA -0.0036 -0.0081 -0.0193 2235 GLU 80 HB3 -0.0007 -0.0158 -0.0256 2236 GLU 80 HB2 -0.0037 -0.0146 -0.0243 2237 GLU 80 HG3 -0.0099 -0.0121 -0.0215 2238 GLU 80 HG2 -0.0070 -0.0146 -0.0238 2239 ASP 81 N -0.0030 -0.0071 -0.0186 2240 ASP 81 CA -0.0026 -0.0052 -0.0172 2241 ASP 81 C -0.0075 -0.0054 -0.0167 2242 ASP 81 O -0.0105 -0.0035 -0.0149 2243 ASP 81 CB -0.0004 -0.0011 -0.0144 2244 ASP 81 CG 0.0004 0.0014 -0.0125 2245 ASP 81 OD1 -0.0012 0.0006 -0.0130 2246 ASP 81 OD2 0.0024 0.0046 -0.0104 2247 ASP 81 H -0.0062 -0.0069 -0.0181 2248 ASP 81 HA -0.0001 -0.0066 -0.0186 2249 ASP 81 HB3 -0.0027 0.0003 -0.0130 2250 ASP 81 HB2 0.0029 -0.0012 -0.0149 2251 PRO 82 N -0.0002 0.0030 -0.0117 2252 PRO 82 CA -0.0018 0.0040 -0.0122 2253 PRO 82 C -0.0024 0.0054 -0.0110 2254 PRO 82 O -0.0036 0.0062 -0.0114 2255 PRO 82 CB -0.0020 0.0038 -0.0128 2256 PRO 82 CG -0.0006 0.0033 -0.0119 2257 PRO 82 CD 0.0005 0.0025 -0.0117 2258 PRO 82 HA -0.0023 0.0037 -0.0132 2259 PRO 82 HB3 -0.0022 0.0031 -0.0140 2260 PRO 82 HB2 -0.0029 0.0047 -0.0127 2261 PRO 82 HG3 -0.0004 0.0028 -0.0124 2262 PRO 82 HG2 -0.0006 0.0041 -0.0108 2263 PRO 82 HD2 0.0014 0.0025 -0.0106 2264 PRO 82 HD3 0.0009 0.0015 -0.0126 2265 GLU 83 N -0.0014 0.0057 -0.0096 2266 GLU 83 CA -0.0018 0.0069 -0.0082 2267 GLU 83 C -0.0018 0.0072 -0.0078 2268 GLU 83 O -0.0019 0.0082 -0.0067 2269 GLU 83 CB -0.0008 0.0071 -0.0069 2270 GLU 83 CG -0.0010 0.0071 -0.0071 2271 GLU 83 CD -0.0025 0.0083 -0.0072 2272 GLU 83 OE1 -0.0029 0.0094 -0.0062 2273 GLU 83 OE2 -0.0033 0.0081 -0.0084 2274 GLU 83 H -0.0004 0.0050 -0.0093 2275 GLU 83 HA -0.0029 0.0077 -0.0085 2276 GLU 83 HB3 -0.0009 0.0079 -0.0058 2277 GLU 83 HB2 0.0003 0.0062 -0.0067 2278 GLU 83 HG3 -0.0002 0.0071 -0.0062 2279 GLU 83 HG2 -0.0009 0.0062 -0.0081 2280 ARG 84 N -0.0035 0.0002 -0.0081 2281 ARG 84 CA -0.0032 0.0005 -0.0075 2282 ARG 84 C -0.0033 0.0004 -0.0072 2283 ARG 84 O -0.0033 0.0003 -0.0074 2284 ARG 84 CB -0.0028 0.0009 -0.0077 2285 ARG 84 CG -0.0025 0.0012 -0.0072 2286 ARG 84 CD -0.0021 0.0016 -0.0075 2287 ARG 84 NE -0.0020 0.0018 -0.0077 2288 ARG 84 CZ -0.0017 0.0021 -0.0081 2289 ARG 84 NH1 -0.0016 0.0022 -0.0083 2290 ARG 84 NH2 -0.0016 0.0023 -0.0084 2291 ARG 84 H -0.0034 0.0003 -0.0083 2292 ARG 84 HA -0.0033 0.0003 -0.0073 2293 ARG 84 HB3 -0.0027 0.0010 -0.0079 2294 ARG 84 HB2 -0.0028 0.0009 -0.0080 2295 ARG 84 HG3 -0.0026 0.0011 -0.0070 2296 ARG 84 HG2 -0.0025 0.0012 -0.0069 2297 ARG 84 HD3 -0.0021 0.0016 -0.0078 2298 ARG 84 HD2 -0.0019 0.0018 -0.0072 2299 ARG 84 HH22 -0.0013 0.0025 -0.0087 2300 ARG 84 HH21 -0.0017 0.0021 -0.0084 2301 ARG 84 HH12 -0.0014 0.0025 -0.0085 2302 ARG 84 HH11 -0.0017 0.0021 -0.0082 2303 ARG 84 HE -0.0021 0.0017 -0.0075 2304 TYR 85 N -0.0033 0.0004 -0.0066 2305 TYR 85 CA -0.0032 0.0005 -0.0062 2306 TYR 85 C -0.0028 0.0009 -0.0059 2307 TYR 85 O -0.0028 0.0008 -0.0056 2308 TYR 85 CB -0.0035 0.0001 -0.0059 2309 TYR 85 CG -0.0035 0.0001 -0.0054 2310 TYR 85 CD1 -0.0033 0.0003 -0.0049 2311 TYR 85 CD2 -0.0037 -0.0001 -0.0056 2312 TYR 85 CE1 -0.0032 0.0004 -0.0046 2313 TYR 85 CE2 -0.0036 -0.0000 -0.0052 2314 TYR 85 CZ -0.0034 0.0002 -0.0047 2315 TYR 85 OH -0.0034 0.0002 -0.0043 2316 TYR 85 H -0.0032 0.0004 -0.0065 2317 TYR 85 HA -0.0031 0.0005 -0.0064 2318 TYR 85 HB3 -0.0036 0.0000 -0.0056 2319 TYR 85 HB2 -0.0038 -0.0002 -0.0061 2320 TYR 85 HD1 -0.0032 0.0005 -0.0048 2321 TYR 85 HD2 -0.0038 -0.0002 -0.0060 2322 TYR 85 HE1 -0.0031 0.0005 -0.0042 2323 TYR 85 HE2 -0.0038 -0.0002 -0.0053 2324 TYR 85 HH -0.0036 -0.0000 -0.0044 2325 PRO 86 N -0.0086 -0.0003 -0.0056 2326 PRO 86 CA -0.0085 -0.0009 -0.0075 2327 PRO 86 C -0.0078 -0.0014 -0.0093 2328 PRO 86 O -0.0063 -0.0009 -0.0091 2329 PRO 86 CB -0.0071 -0.0005 -0.0072 2330 PRO 86 CG -0.0071 0.0003 -0.0050 2331 PRO 86 CD -0.0073 0.0005 -0.0043 2332 PRO 86 HA -0.0100 -0.0014 -0.0077 2333 PRO 86 HB3 -0.0075 -0.0008 -0.0080 2334 PRO 86 HB2 -0.0055 -0.0003 -0.0078 2335 PRO 86 HG3 -0.0085 0.0002 -0.0045 2336 PRO 86 HG2 -0.0058 0.0008 -0.0045 2337 PRO 86 HD2 -0.0058 0.0009 -0.0044 2338 PRO 86 HD3 -0.0078 0.0010 -0.0027 2339 SER 87 N -0.0087 -0.0022 -0.0109 2340 SER 87 CA -0.0082 -0.0027 -0.0127 2341 SER 87 C -0.0061 -0.0025 -0.0137 2342 SER 87 O -0.0049 -0.0024 -0.0142 2343 SER 87 CB -0.0099 -0.0037 -0.0140 2344 SER 87 OG -0.0104 -0.0040 -0.0146 2345 SER 87 H -0.0099 -0.0026 -0.0111 2346 SER 87 HA -0.0081 -0.0025 -0.0121 2347 SER 87 HB3 -0.0113 -0.0038 -0.0133 2348 SER 87 HB2 -0.0095 -0.0040 -0.0154 2349 SER 87 HG -0.0105 -0.0045 -0.0160 2350 VAL 88 N -0.0134 -0.0073 -0.0115 2351 VAL 88 CA -0.0114 -0.0058 -0.0123 2352 VAL 88 C -0.0105 -0.0025 -0.0100 2353 VAL 88 O -0.0123 -0.0019 -0.0074 2354 VAL 88 CB -0.0127 -0.0072 -0.0122 2355 VAL 88 CG1 -0.0107 -0.0057 -0.0129 2356 VAL 88 CG2 -0.0137 -0.0105 -0.0143 2357 VAL 88 H -0.0153 -0.0076 -0.0097 2358 VAL 88 HA -0.0095 -0.0060 -0.0145 2359 VAL 88 HB -0.0145 -0.0070 -0.0100 2360 VAL 88 HG11 -0.0116 -0.0069 -0.0131 2361 VAL 88 HG12 -0.0103 -0.0034 -0.0111 2362 VAL 88 HG13 -0.0087 -0.0055 -0.0149 2363 VAL 88 HG21 -0.0147 -0.0115 -0.0142 2364 VAL 88 HG22 -0.0119 -0.0108 -0.0166 2365 VAL 88 HG23 -0.0152 -0.0117 -0.0139 2366 ILE 89 N -0.0078 -0.0006 -0.0111 2367 ILE 89 CA -0.0066 0.0026 -0.0094 2368 ILE 89 C -0.0045 0.0034 -0.0110 2369 ILE 89 O -0.0029 0.0024 -0.0137 2370 ILE 89 CB -0.0050 0.0045 -0.0092 2371 ILE 89 CG1 -0.0072 0.0036 -0.0077 2372 ILE 89 CG2 -0.0035 0.0079 -0.0077 2373 ILE 89 CD1 -0.0061 0.0055 -0.0070 2374 ILE 89 H -0.0064 -0.0012 -0.0134 2375 ILE 89 HA -0.0082 0.0030 -0.0072 2376 ILE 89 HB -0.0035 0.0039 -0.0115 2377 ILE 89 HG13 -0.0080 0.0013 -0.0091 2378 ILE 89 HG12 -0.0090 0.0035 -0.0057 2379 ILE 89 HG21 -0.0023 0.0091 -0.0078 2380 ILE 89 HG22 -0.0019 0.0086 -0.0086 2381 ILE 89 HG23 -0.0049 0.0086 -0.0053 2382 ILE 89 HD11 -0.0076 0.0044 -0.0064 2383 ILE 89 HD12 -0.0041 0.0058 -0.0089 2384 ILE 89 HD13 -0.0058 0.0077 -0.0052 2385 TRP 90 N -0.0088 0.0094 -0.0069 2386 TRP 90 CA -0.0078 0.0113 -0.0075 2387 TRP 90 C -0.0070 0.0124 -0.0073 2388 TRP 90 O -0.0068 0.0125 -0.0056 2389 TRP 90 CB -0.0072 0.0119 -0.0061 2390 TRP 90 CG -0.0078 0.0109 -0.0063 2391 TRP 90 CD1 -0.0085 0.0094 -0.0052 2392 TRP 90 CD2 -0.0078 0.0113 -0.0078 2393 TRP 90 NE1 -0.0089 0.0090 -0.0058 2394 TRP 90 CE2 -0.0084 0.0101 -0.0074 2395 TRP 90 CE3 -0.0072 0.0126 -0.0094 2396 TRP 90 CZ2 -0.0085 0.0101 -0.0085 2397 TRP 90 CZ3 -0.0073 0.0127 -0.0105 2398 TRP 90 CH2 -0.0080 0.0115 -0.0100 2399 TRP 90 H -0.0087 0.0091 -0.0054 2400 TRP 90 HA -0.0079 0.0114 -0.0090 2401 TRP 90 HB3 -0.0064 0.0133 -0.0064 2402 TRP 90 HB2 -0.0071 0.0117 -0.0045 2403 TRP 90 HD1 -0.0087 0.0088 -0.0040 2404 TRP 90 HE1 -0.0094 0.0080 -0.0050 2405 TRP 90 HE3 -0.0067 0.0136 -0.0098 2406 TRP 90 HZ2 -0.0090 0.0092 -0.0081 2407 TRP 90 HZ3 -0.0068 0.0138 -0.0117 2408 TRP 90 HH2 -0.0080 0.0116 -0.0109 2409 GLU 91 N -0.0067 0.0133 -0.0090 2410 GLU 91 CA -0.0060 0.0147 -0.0091 2411 GLU 91 C -0.0049 0.0165 -0.0095 2412 GLU 91 O -0.0049 0.0168 -0.0107 2413 GLU 91 CB -0.0064 0.0143 -0.0108 2414 GLU 91 CG -0.0073 0.0127 -0.0103 2415 GLU 91 CD -0.0074 0.0128 -0.0118 2416 GLU 91 OE1 -0.0082 0.0118 -0.0132 2417 GLU 91 OE2 -0.0067 0.0139 -0.0115 2418 GLU 91 H -0.0070 0.0132 -0.0104 2419 GLU 91 HA -0.0058 0.0146 -0.0076 2420 GLU 91 HB3 -0.0057 0.0155 -0.0111 2421 GLU 91 HB2 -0.0067 0.0141 -0.0122 2422 GLU 91 HG3 -0.0080 0.0115 -0.0103 2423 GLU 91 HG2 -0.0070 0.0127 -0.0087 2424 ALA 92 N -0.0071 0.0106 -0.0054 2425 ALA 92 CA -0.0062 0.0103 -0.0057 2426 ALA 92 C -0.0101 0.0097 -0.0040 2427 ALA 92 O -0.0123 0.0066 -0.0026 2428 ALA 92 CB -0.0032 0.0063 -0.0063 2429 ALA 92 H -0.0069 0.0077 -0.0050 2430 ALA 92 HA -0.0047 0.0132 -0.0067 2431 ALA 92 HB1 -0.0025 0.0059 -0.0066 2432 ALA 92 HB2 -0.0003 0.0066 -0.0076 2433 ALA 92 HB3 -0.0045 0.0033 -0.0053 2434 LYS 93 N -0.0108 0.0124 -0.0041 2435 LYS 93 CA -0.0137 0.0117 -0.0028 2436 LYS 93 C -0.0113 0.0110 -0.0036 2437 LYS 93 O -0.0092 0.0139 -0.0050 2438 LYS 93 CB -0.0169 0.0157 -0.0020 2439 LYS 93 CG -0.0195 0.0157 -0.0009 2440 LYS 93 CD -0.0240 0.0177 0.0006 2441 LYS 93 CE -0.0263 0.0181 0.0015 2442 LYS 93 NZ -0.0262 0.0139 0.0021 2443 LYS 93 H -0.0089 0.0149 -0.0053 2444 LYS 93 HA -0.0154 0.0088 -0.0016 2445 LYS 93 HB3 -0.0153 0.0187 -0.0032 2446 LYS 93 HB2 -0.0188 0.0156 -0.0012 2447 LYS 93 HG3 -0.0197 0.0123 -0.0004 2448 LYS 93 HG2 -0.0180 0.0175 -0.0019 2449 LYS 93 HD3 -0.0239 0.0210 0.0001 2450 LYS 93 HD2 -0.0256 0.0157 0.0016 2451 LYS 93 HE3 -0.0251 0.0206 0.0006 2452 LYS 93 HE2 -0.0295 0.0192 0.0027 2453 LYS 93 HZ1 -0.0233 0.0130 0.0010 2454 LYS 93 HZ2 -0.0273 0.0114 0.0029 2455 LYS 93 HZ3 -0.0279 0.0142 0.0028 2456 CYS 94 N -0.0087 0.0080 -0.0004 2457 CYS 94 CA -0.0071 0.0066 -0.0010 2458 CYS 94 C -0.0065 0.0061 -0.0019 2459 CYS 94 O -0.0069 0.0065 -0.0010 2460 CYS 94 CB -0.0061 0.0058 0.0007 2461 CYS 94 SG -0.0070 0.0065 0.0024 2462 CYS 94 H -0.0089 0.0082 0.0010 2463 CYS 94 HA -0.0070 0.0066 -0.0022 2464 CYS 94 HB3 -0.0051 0.0049 0.0001 2465 CYS 94 HB2 -0.0058 0.0055 0.0016 2466 ARG 95 N -0.0057 0.0054 -0.0035 2467 ARG 95 CA -0.0051 0.0049 -0.0045 2468 ARG 95 C -0.0039 0.0038 -0.0033 2469 ARG 95 O -0.0038 0.0037 -0.0034 2470 ARG 95 CB -0.0045 0.0044 -0.0065 2471 ARG 95 CG -0.0057 0.0054 -0.0079 2472 ARG 95 CD -0.0050 0.0048 -0.0099 2473 ARG 95 NE -0.0061 0.0058 -0.0111 2474 ARG 95 CZ -0.0060 0.0057 -0.0128 2475 ARG 95 NH1 -0.0047 0.0046 -0.0138 2476 ARG 95 NH2 -0.0072 0.0068 -0.0134 2477 ARG 95 H -0.0054 0.0052 -0.0040 2478 ARG 95 HA -0.0060 0.0057 -0.0046 2479 ARG 95 HB3 -0.0041 0.0040 -0.0072 2480 ARG 95 HB2 -0.0036 0.0036 -0.0064 2481 ARG 95 HG3 -0.0062 0.0059 -0.0073 2482 ARG 95 HG2 -0.0065 0.0062 -0.0081 2483 ARG 95 HD3 -0.0049 0.0047 -0.0107 2484 ARG 95 HD2 -0.0040 0.0039 -0.0099 2485 ARG 95 HH22 -0.0072 0.0068 -0.0148 2486 ARG 95 HH21 -0.0081 0.0075 -0.0125 2487 ARG 95 HH12 -0.0047 0.0046 -0.0151 2488 ARG 95 HH11 -0.0038 0.0038 -0.0133 2489 ARG 95 HE -0.0072 0.0068 -0.0106 2490 HIS 96 N 0.0017 -0.0008 0.0020 2491 HIS 96 CA 0.0024 -0.0035 0.0038 2492 HIS 96 C 0.0031 -0.0020 0.0054 2493 HIS 96 O 0.0028 0.0008 0.0046 2494 HIS 96 CB 0.0013 -0.0064 0.0016 2495 HIS 96 CG 0.0004 -0.0077 -0.0004 2496 HIS 96 ND1 0.0009 -0.0097 0.0008 2497 HIS 96 CD2 -0.0009 -0.0071 -0.0034 2498 HIS 96 CE1 -0.0001 -0.0102 -0.0015 2499 HIS 96 NE2 -0.0012 -0.0086 -0.0041 2500 HIS 96 H 0.0010 0.0003 0.0004 2501 HIS 96 HA 0.0031 -0.0045 0.0056 2502 HIS 96 HB3 0.0018 -0.0085 0.0028 2503 HIS 96 HB2 0.0006 -0.0055 -0.0000 2504 HIS 96 HD1 0.0018 -0.0108 0.0029 2505 HIS 96 HD2 -0.0016 -0.0057 -0.0051 2506 HIS 96 HE1 -0.0001 -0.0117 -0.0013 2507 LEU 97 N 0.0040 -0.0040 0.0077 2508 LEU 97 CA 0.0047 -0.0034 0.0090 2509 LEU 97 C 0.0037 -0.0050 0.0069 2510 LEU 97 O 0.0034 -0.0033 0.0061 2511 LEU 97 CB 0.0061 -0.0049 0.0124 2512 LEU 97 CG 0.0071 -0.0034 0.0146 2513 LEU 97 CD1 0.0084 -0.0056 0.0176 2514 LEU 97 CD2 0.0076 0.0003 0.0155 2515 LEU 97 H 0.0043 -0.0062 0.0083 2516 LEU 97 HA 0.0048 -0.0007 0.0092 2517 LEU 97 HB3 0.0065 -0.0047 0.0133 2518 LEU 97 HB2 0.0060 -0.0077 0.0122 2519 LEU 97 HG 0.0066 -0.0033 0.0136 2520 LEU 97 HD11 0.0091 -0.0044 0.0193 2521 LEU 97 HD12 0.0081 -0.0080 0.0170 2522 LEU 97 HD13 0.0088 -0.0061 0.0187 2523 LEU 97 HD21 0.0086 0.0010 0.0177 2524 LEU 97 HD22 0.0076 0.0006 0.0156 2525 LEU 97 HD23 0.0068 0.0021 0.0137 2526 GLY 98 N 0.0026 -0.0081 0.0018 2527 GLY 98 CA 0.0022 -0.0077 0.0020 2528 GLY 98 C 0.0011 -0.0078 0.0020 2529 GLY 98 O 0.0007 -0.0080 0.0020 2530 GLY 98 H 0.0028 -0.0088 0.0017 2531 GLY 98 HA3 0.0024 -0.0081 0.0019 2532 GLY 98 HA2 0.0024 -0.0070 0.0021 2533 CYS 99 N 0.0007 -0.0076 0.0021 2534 CYS 99 CA -0.0004 -0.0076 0.0021 2535 CYS 99 C -0.0007 -0.0083 0.0020 2536 CYS 99 O -0.0001 -0.0084 0.0019 2537 CYS 99 CB -0.0008 -0.0067 0.0024 2538 CYS 99 SG -0.0005 -0.0058 0.0026 2539 CYS 99 H 0.0010 -0.0075 0.0021 2540 CYS 99 HA -0.0007 -0.0079 0.0021 2541 CYS 99 HB3 -0.0015 -0.0068 0.0024 2542 CYS 99 HB2 -0.0005 -0.0065 0.0024 2543 ILE 100 N 0.0029 -0.0086 0.0035 2544 ILE 100 CA 0.0035 -0.0079 0.0036 2545 ILE 100 C 0.0042 -0.0080 0.0040 2546 ILE 100 O 0.0045 -0.0086 0.0043 2547 ILE 100 CB 0.0038 -0.0077 0.0037 2548 ILE 100 CG1 0.0032 -0.0076 0.0033 2549 ILE 100 CG2 0.0044 -0.0069 0.0037 2550 ILE 100 CD1 0.0026 -0.0070 0.0028 2551 ILE 100 H 0.0030 -0.0091 0.0037 2552 ILE 100 HA 0.0032 -0.0074 0.0033 2553 ILE 100 HB 0.0042 -0.0082 0.0040 2554 ILE 100 HG13 0.0034 -0.0075 0.0034 2555 ILE 100 HG12 0.0028 -0.0082 0.0034 2556 ILE 100 HG21 0.0046 -0.0067 0.0037 2557 ILE 100 HG22 0.0049 -0.0069 0.0040 2558 ILE 100 HG23 0.0042 -0.0064 0.0034 2559 ILE 100 HD11 0.0022 -0.0070 0.0026 2560 ILE 100 HD12 0.0029 -0.0064 0.0028 2561 ILE 100 HD13 0.0023 -0.0072 0.0027 2562 ASN 101 N 0.0043 -0.0075 0.0038 2563 ASN 101 CA 0.0050 -0.0075 0.0042 2564 ASN 101 C 0.0057 -0.0070 0.0044 2565 ASN 101 O 0.0057 -0.0066 0.0043 2566 ASN 101 CB 0.0047 -0.0072 0.0039 2567 ASN 101 CG 0.0047 -0.0062 0.0036 2568 ASN 101 OD1 0.0048 -0.0057 0.0035 2569 ASN 101 ND2 0.0045 -0.0060 0.0034 2570 ASN 101 H 0.0040 -0.0070 0.0035 2571 ASN 101 HA 0.0051 -0.0081 0.0044 2572 ASN 101 HB3 0.0041 -0.0075 0.0038 2573 ASN 101 HB2 0.0051 -0.0073 0.0042 2574 ASN 101 HD22 0.0046 -0.0053 0.0032 2575 ASN 101 HD21 0.0043 -0.0064 0.0035 2576 ALA 102 N 0.0141 -0.0109 0.0063 2577 ALA 102 CA 0.0172 -0.0085 0.0091 2578 ALA 102 C 0.0160 -0.0031 0.0135 2579 ALA 102 O 0.0202 -0.0008 0.0165 2580 ALA 102 CB 0.0155 -0.0101 0.0073 2581 ALA 102 H 0.0115 -0.0133 0.0037 2582 ALA 102 HA 0.0221 -0.0095 0.0092 2583 ALA 102 HB1 0.0179 -0.0085 0.0092 2584 ALA 102 HB2 0.0166 -0.0139 0.0042 2585 ALA 102 HB3 0.0106 -0.0092 0.0070 2586 ASP 103 N 0.0104 -0.0013 0.0139 2587 ASP 103 CA 0.0081 0.0037 0.0178 2588 ASP 103 C 0.0104 0.0058 0.0202 2589 ASP 103 O 0.0092 0.0100 0.0236 2590 ASP 103 CB 0.0010 0.0048 0.0173 2591 ASP 103 CG -0.0022 0.0023 0.0143 2592 ASP 103 OD1 0.0003 0.0016 0.0143 2593 ASP 103 OD2 -0.0073 0.0012 0.0123 2594 ASP 103 H 0.0071 -0.0034 0.0114 2595 ASP 103 HA 0.0099 0.0055 0.0198 2596 ASP 103 HB3 -0.0002 0.0086 0.0203 2597 ASP 103 HB2 -0.0009 0.0041 0.0162 2598 GLY 104 N 0.0082 -0.0039 0.0123 2599 GLY 104 CA 0.0093 -0.0045 0.0127 2600 GLY 104 C 0.0074 -0.0044 0.0111 2601 GLY 104 O 0.0080 -0.0044 0.0116 2602 GLY 104 H 0.0084 -0.0053 0.0111 2603 GLY 104 HA3 0.0101 -0.0033 0.0146 2604 GLY 104 HA2 0.0109 -0.0063 0.0122 2605 ASN 105 N 0.0052 -0.0042 0.0094 2606 ASN 105 CA 0.0032 -0.0040 0.0078 2607 ASN 105 C 0.0035 -0.0065 0.0055 2608 ASN 105 O 0.0045 -0.0080 0.0049 2609 ASN 105 CB 0.0006 -0.0023 0.0072 2610 ASN 105 CG -0.0002 0.0003 0.0093 2611 ASN 105 OD1 -0.0024 0.0017 0.0089 2612 ASN 105 ND2 0.0016 0.0009 0.0115 2613 ASN 105 H 0.0049 -0.0044 0.0089 2614 ASN 105 HA 0.0034 -0.0033 0.0086 2615 ASN 105 HB3 -0.0009 -0.0025 0.0057 2616 ASN 105 HB2 0.0005 -0.0028 0.0066 2617 ASN 105 HD22 0.0011 0.0026 0.0128 2618 ASN 105 HD21 0.0035 -0.0003 0.0119 2619 VAL 106 N 0.0021 -0.0106 0.0028 2620 VAL 106 CA 0.0025 -0.0106 0.0021 2621 VAL 106 C 0.0026 -0.0093 0.0014 2622 VAL 106 O 0.0029 -0.0089 0.0008 2623 VAL 106 CB 0.0032 -0.0116 0.0012 2624 VAL 106 CG1 0.0037 -0.0117 0.0003 2625 VAL 106 CG2 0.0031 -0.0130 0.0017 2626 VAL 106 H 0.0023 -0.0108 0.0025 2627 VAL 106 HA 0.0023 -0.0109 0.0026 2628 VAL 106 HB 0.0034 -0.0114 0.0007 2629 VAL 106 HG11 0.0041 -0.0124 -0.0003 2630 VAL 106 HG12 0.0038 -0.0108 -0.0002 2631 VAL 106 HG13 0.0034 -0.0118 0.0007 2632 VAL 106 HG21 0.0036 -0.0137 0.0011 2633 VAL 106 HG22 0.0029 -0.0134 0.0022 2634 VAL 106 HG23 0.0028 -0.0130 0.0024 2635 ASP 107 N 0.0023 -0.0086 0.0017 2636 ASP 107 CA 0.0025 -0.0075 0.0010 2637 ASP 107 C 0.0032 -0.0079 -0.0000 2638 ASP 107 O 0.0032 -0.0087 0.0001 2639 ASP 107 CB 0.0020 -0.0066 0.0017 2640 ASP 107 CG 0.0021 -0.0054 0.0010 2641 ASP 107 OD1 0.0025 -0.0049 0.0001 2642 ASP 107 OD2 0.0018 -0.0048 0.0014 2643 ASP 107 H 0.0021 -0.0091 0.0022 2644 ASP 107 HA 0.0026 -0.0069 0.0007 2645 ASP 107 HB3 0.0019 -0.0071 0.0020 2646 ASP 107 HB2 0.0015 -0.0063 0.0024 2647 TYR 108 N 0.0034 -0.0088 -0.0022 2648 TYR 108 CA 0.0045 -0.0106 -0.0062 2649 TYR 108 C 0.0049 -0.0080 -0.0064 2650 TYR 108 O 0.0055 -0.0098 -0.0092 2651 TYR 108 CB 0.0060 -0.0102 -0.0109 2652 TYR 108 CG 0.0073 -0.0051 -0.0126 2653 TYR 108 CD1 0.0072 -0.0025 -0.0112 2654 TYR 108 CD2 0.0085 -0.0028 -0.0156 2655 TYR 108 CE1 0.0083 0.0022 -0.0129 2656 TYR 108 CE2 0.0097 0.0020 -0.0172 2657 TYR 108 CZ 0.0096 0.0045 -0.0158 2658 TYR 108 OH 0.0107 0.0092 -0.0173 2659 TYR 108 H 0.0039 -0.0054 -0.0024 2660 TYR 108 HA 0.0038 -0.0145 -0.0058 2661 TYR 108 HB3 0.0056 -0.0122 -0.0105 2662 TYR 108 HB2 0.0066 -0.0123 -0.0137 2663 TYR 108 HD1 0.0062 -0.0042 -0.0089 2664 TYR 108 HD2 0.0086 -0.0047 -0.0166 2665 TYR 108 HE1 0.0083 0.0042 -0.0118 2666 TYR 108 HE2 0.0106 0.0037 -0.0194 2667 TYR 108 HH 0.0110 0.0111 -0.0174 2668 HIS 109 N 0.0045 -0.0040 -0.0035 2669 HIS 109 CA 0.0048 -0.0014 -0.0033 2670 HIS 109 C 0.0035 -0.0043 -0.0005 2671 HIS 109 O 0.0038 -0.0035 -0.0012 2672 HIS 109 CB 0.0048 0.0039 -0.0012 2673 HIS 109 CG 0.0060 0.0070 -0.0038 2674 HIS 109 ND1 0.0056 0.0078 -0.0021 2675 HIS 109 CD2 0.0077 0.0096 -0.0079 2676 HIS 109 CE1 0.0070 0.0106 -0.0051 2677 HIS 109 NE2 0.0083 0.0119 -0.0087 2678 HIS 109 H 0.0039 -0.0026 -0.0013 2679 HIS 109 HA 0.0060 -0.0012 -0.0069 2680 HIS 109 HB3 0.0050 0.0058 -0.0012 2681 HIS 109 HB2 0.0036 0.0038 0.0025 2682 HIS 109 HD1 0.0044 0.0060 0.0008 2683 HIS 109 HD2 0.0085 0.0100 -0.0103 2684 HIS 109 HE1 0.0070 0.0117 -0.0047 2685 MET 110 N -0.0019 -0.0056 0.0012 2686 MET 110 CA -0.0019 -0.0047 0.0007 2687 MET 110 C -0.0017 -0.0038 0.0012 2688 MET 110 O -0.0016 -0.0040 0.0018 2689 MET 110 CB -0.0020 -0.0048 -0.0004 2690 MET 110 CG -0.0022 -0.0056 -0.0010 2691 MET 110 SD -0.0022 -0.0055 -0.0011 2692 MET 110 CE -0.0023 -0.0045 -0.0020 2693 MET 110 H -0.0019 -0.0058 0.0011 2694 MET 110 HA -0.0019 -0.0046 0.0006 2695 MET 110 HB3 -0.0020 -0.0041 -0.0008 2696 MET 110 HB2 -0.0021 -0.0048 -0.0004 2697 MET 110 HG3 -0.0023 -0.0057 -0.0017 2698 MET 110 HG2 -0.0022 -0.0063 -0.0006 2699 MET 110 HE1 -0.0023 -0.0044 -0.0023 2700 MET 110 HE2 -0.0024 -0.0047 -0.0026 2701 MET 110 HE3 -0.0021 -0.0038 -0.0017 2702 ASN 111 N -0.0016 -0.0029 0.0009 2703 ASN 111 CA -0.0015 -0.0020 0.0014 2704 ASN 111 C -0.0015 -0.0013 0.0006 2705 ASN 111 O -0.0016 -0.0010 -0.0001 2706 ASN 111 CB -0.0013 -0.0015 0.0020 2707 ASN 111 CG -0.0012 -0.0021 0.0029 2708 ASN 111 OD1 -0.0011 -0.0017 0.0034 2709 ASN 111 ND2 -0.0013 -0.0029 0.0032 2710 ASN 111 H -0.0017 -0.0028 0.0004 2711 ASN 111 HA -0.0014 -0.0022 0.0018 2712 ASN 111 HB3 -0.0012 -0.0008 0.0022 2713 ASN 111 HB2 -0.0014 -0.0014 0.0016 2714 ASN 111 HD22 -0.0012 -0.0032 0.0038 2715 ASN 111 HD21 -0.0014 -0.0032 0.0028 2716 SER 112 N -0.0004 -0.0008 0.0025 2717 SER 112 CA -0.0001 -0.0001 0.0021 2718 SER 112 C 0.0005 0.0008 0.0024 2719 SER 112 O 0.0009 0.0008 0.0032 2720 SER 112 CB -0.0000 -0.0003 0.0026 2721 SER 112 OG -0.0006 -0.0010 0.0022 2722 SER 112 H -0.0002 -0.0012 0.0032 2723 SER 112 HA -0.0004 0.0000 0.0013 2724 SER 112 HB3 0.0003 0.0003 0.0025 2725 SER 112 HB2 0.0002 -0.0006 0.0033 2726 SER 112 HG -0.0008 -0.0016 0.0025 2727 VAL 113 N 0.0006 0.0015 0.0017 2728 VAL 113 CA 0.0011 0.0024 0.0019 2729 VAL 113 C 0.0013 0.0031 0.0013 2730 VAL 113 O 0.0009 0.0031 0.0005 2731 VAL 113 CB 0.0011 0.0026 0.0015 2732 VAL 113 CG1 0.0011 0.0020 0.0021 2733 VAL 113 CG2 0.0006 0.0026 0.0005 2734 VAL 113 H 0.0002 0.0015 0.0010 2735 VAL 113 HA 0.0015 0.0024 0.0026 2736 VAL 113 HB 0.0015 0.0033 0.0016 2737 VAL 113 HG11 0.0011 0.0022 0.0020 2738 VAL 113 HG12 0.0014 0.0020 0.0029 2739 VAL 113 HG13 0.0006 0.0013 0.0021 2740 VAL 113 HG21 0.0006 0.0027 0.0003 2741 VAL 113 HG22 0.0002 0.0020 0.0003 2742 VAL 113 HG23 0.0007 0.0032 0.0000 2743 PRO 114 N -0.0024 0.0029 0.0002 2744 PRO 114 CA -0.0016 0.0031 0.0000 2745 PRO 114 C -0.0012 0.0019 -0.0002 2746 PRO 114 O -0.0020 0.0011 -0.0001 2747 PRO 114 CB -0.0023 0.0037 0.0003 2748 PRO 114 CG -0.0036 0.0034 0.0004 2749 PRO 114 CD -0.0036 0.0031 0.0004 2750 PRO 114 HA -0.0009 0.0036 -0.0000 2751 PRO 114 HB3 -0.0022 0.0047 0.0003 2752 PRO 114 HB2 -0.0021 0.0036 0.0002 2753 PRO 114 HG3 -0.0042 0.0040 0.0006 2754 PRO 114 HG2 -0.0037 0.0026 0.0003 2755 PRO 114 HD2 -0.0042 0.0024 0.0004 2756 PRO 114 HD3 -0.0038 0.0039 0.0005 2757 ILE 115 N -0.0001 0.0018 -0.0004 2758 ILE 115 CA 0.0004 0.0008 -0.0006 2759 ILE 115 C 0.0002 0.0011 -0.0005 2760 ILE 115 O 0.0005 0.0020 -0.0004 2761 ILE 115 CB 0.0017 0.0007 -0.0008 2762 ILE 115 CG1 0.0019 0.0005 -0.0009 2763 ILE 115 CG2 0.0022 -0.0003 -0.0010 2764 ILE 115 CD1 0.0032 0.0005 -0.0011 2765 ILE 115 H 0.0004 0.0025 -0.0004 2766 ILE 115 HA -0.0001 0.0000 -0.0006 2767 ILE 115 HB 0.0021 0.0015 -0.0008 2768 ILE 115 HG13 0.0015 0.0012 -0.0007 2769 ILE 115 HG12 0.0015 -0.0003 -0.0009 2770 ILE 115 HG21 0.0031 -0.0004 -0.0012 2771 ILE 115 HG22 0.0021 -0.0002 -0.0010 2772 ILE 115 HG23 0.0018 -0.0012 -0.0011 2773 ILE 115 HD11 0.0034 0.0005 -0.0011 2774 ILE 115 HD12 0.0036 0.0013 -0.0011 2775 ILE 115 HD13 0.0036 -0.0002 -0.0013 2776 GLN 116 N 0.0020 0.0005 0.0010 2777 GLN 116 CA 0.0007 0.0003 0.0010 2778 GLN 116 C 0.0007 -0.0006 0.0019 2779 GLN 116 O 0.0013 -0.0013 0.0027 2780 GLN 116 CB -0.0004 0.0001 0.0010 2781 GLN 116 CG -0.0003 0.0009 0.0002 2782 GLN 116 CD -0.0016 0.0012 -0.0003 2783 GLN 116 OE1 -0.0025 0.0006 0.0001 2784 GLN 116 NE2 -0.0019 0.0021 -0.0013 2785 GLN 116 H 0.0024 -0.0000 0.0016 2786 GLN 116 HA 0.0004 0.0009 0.0004 2787 GLN 116 HB3 -0.0014 -0.0000 0.0009 2788 GLN 116 HB2 -0.0003 -0.0006 0.0017 2789 GLN 116 HG3 0.0003 0.0007 0.0005 2790 GLN 116 HG2 0.0003 0.0016 -0.0004 2791 GLN 116 HE22 -0.0029 0.0022 -0.0016 2792 GLN 116 HE21 -0.0013 0.0025 -0.0016 2793 GLN 117 N 0.0001 -0.0006 0.0018 2794 GLN 117 CA 0.0000 -0.0014 0.0026 2795 GLN 117 C -0.0015 -0.0017 0.0026 2796 GLN 117 O -0.0023 -0.0011 0.0019 2797 GLN 117 CB 0.0008 -0.0009 0.0023 2798 GLN 117 CG 0.0010 -0.0017 0.0031 2799 GLN 117 CD 0.0018 -0.0025 0.0041 2800 GLN 117 OE1 0.0011 -0.0033 0.0048 2801 GLN 117 NE2 0.0031 -0.0024 0.0041 2802 GLN 117 H -0.0004 -0.0000 0.0011 2803 GLN 117 HA 0.0005 -0.0020 0.0033 2804 GLN 117 HB3 0.0003 -0.0004 0.0016 2805 GLN 117 HB2 0.0018 -0.0006 0.0021 2806 GLN 117 HG3 0.0000 -0.0020 0.0032 2807 GLN 117 HG2 0.0016 -0.0013 0.0028 2808 GLN 117 HE22 0.0036 -0.0029 0.0048 2809 GLN 117 HE21 0.0036 -0.0017 0.0036 2810 GLU 118 N 0.0020 -0.0033 0.0073 2811 GLU 118 CA 0.0007 -0.0029 0.0078 2812 GLU 118 C 0.0001 -0.0025 0.0072 2813 GLU 118 O 0.0004 -0.0027 0.0075 2814 GLU 118 CB 0.0006 -0.0033 0.0093 2815 GLU 118 CG 0.0008 -0.0036 0.0100 2816 GLU 118 CD 0.0003 -0.0038 0.0114 2817 GLU 118 OE1 0.0001 -0.0039 0.0120 2818 GLU 118 OE2 -0.0002 -0.0038 0.0119 2819 GLU 118 H 0.0026 -0.0036 0.0078 2820 GLU 118 HA 0.0003 -0.0027 0.0076 2821 GLU 118 HB3 -0.0003 -0.0031 0.0096 2822 GLU 118 HB2 0.0013 -0.0037 0.0096 2823 GLU 118 HG3 0.0018 -0.0040 0.0100 2824 GLU 118 HG2 0.0003 -0.0033 0.0095 2825 ILE 119 N -0.0008 -0.0020 0.0065 2826 ILE 119 CA -0.0015 -0.0015 0.0059 2827 ILE 119 C -0.0029 -0.0011 0.0063 2828 ILE 119 O -0.0033 -0.0011 0.0067 2829 ILE 119 CB -0.0013 -0.0012 0.0044 2830 ILE 119 CG1 -0.0017 -0.0008 0.0037 2831 ILE 119 CG2 0.0001 -0.0016 0.0040 2832 ILE 119 CD1 -0.0020 -0.0003 0.0024 2833 ILE 119 H -0.0011 -0.0018 0.0064 2834 ILE 119 HA -0.0013 -0.0017 0.0062 2835 ILE 119 HB -0.0018 -0.0009 0.0041 2836 ILE 119 HG13 -0.0026 -0.0006 0.0042 2837 ILE 119 HG12 -0.0010 -0.0011 0.0038 2838 ILE 119 HG21 0.0003 -0.0013 0.0029 2839 ILE 119 HG22 0.0004 -0.0018 0.0044 2840 ILE 119 HG23 0.0007 -0.0019 0.0042 2841 ILE 119 HD11 -0.0019 -0.0001 0.0018 2842 ILE 119 HD12 -0.0029 0.0001 0.0024 2843 ILE 119 HD13 -0.0013 -0.0004 0.0019 2844 LEU 120 N 0.0045 -0.0057 0.0052 2845 LEU 120 CA 0.0028 -0.0055 0.0053 2846 LEU 120 C 0.0024 -0.0038 0.0040 2847 LEU 120 O 0.0038 -0.0030 0.0032 2848 LEU 120 CB 0.0030 -0.0065 0.0061 2849 LEU 120 CG 0.0032 -0.0082 0.0074 2850 LEU 120 CD1 0.0037 -0.0091 0.0081 2851 LEU 120 CD2 0.0013 -0.0087 0.0080 2852 LEU 120 H 0.0057 -0.0057 0.0051 2853 LEU 120 HA 0.0016 -0.0058 0.0057 2854 LEU 120 HB3 0.0019 -0.0062 0.0060 2855 LEU 120 HB2 0.0043 -0.0063 0.0057 2856 LEU 120 HG 0.0043 -0.0084 0.0074 2857 LEU 120 HD11 0.0043 -0.0102 0.0089 2858 LEU 120 HD12 0.0048 -0.0086 0.0075 2859 LEU 120 HD13 0.0025 -0.0092 0.0083 2860 LEU 120 HD21 0.0013 -0.0099 0.0090 2861 LEU 120 HD22 0.0001 -0.0082 0.0078 2862 LEU 120 HD23 0.0013 -0.0083 0.0078 2863 VAL 121 N 0.0007 -0.0033 0.0038 2864 VAL 121 CA 0.0000 -0.0019 0.0028 2865 VAL 121 C -0.0017 -0.0022 0.0033 2866 VAL 121 O -0.0026 -0.0033 0.0042 2867 VAL 121 CB -0.0006 -0.0007 0.0019 2868 VAL 121 CG1 0.0011 -0.0004 0.0014 2869 VAL 121 CG2 -0.0022 -0.0011 0.0024 2870 VAL 121 H -0.0004 -0.0040 0.0045 2871 VAL 121 HA 0.0011 -0.0015 0.0023 2872 VAL 121 HB -0.0010 0.0003 0.0012 2873 VAL 121 HG11 0.0007 0.0005 0.0008 2874 VAL 121 HG12 0.0023 0.0000 0.0010 2875 VAL 121 HG13 0.0017 -0.0013 0.0021 2876 VAL 121 HG21 -0.0025 -0.0002 0.0018 2877 VAL 121 HG22 -0.0019 -0.0021 0.0032 2878 VAL 121 HG23 -0.0035 -0.0011 0.0027 2879 LEU 122 N 0.0026 0.0007 -0.0008 2880 LEU 122 CA 0.0019 0.0007 -0.0007 2881 LEU 122 C 0.0012 0.0013 -0.0009 2882 LEU 122 O 0.0014 0.0019 -0.0013 2883 LEU 122 CB 0.0022 0.0010 -0.0009 2884 LEU 122 CG 0.0028 0.0006 -0.0008 2885 LEU 122 CD1 0.0031 0.0010 -0.0011 2886 LEU 122 CD2 0.0026 -0.0002 -0.0003 2887 LEU 122 H 0.0029 0.0012 -0.0011 2888 LEU 122 HA 0.0017 0.0002 -0.0004 2889 LEU 122 HB3 0.0016 0.0011 -0.0009 2890 LEU 122 HB2 0.0024 0.0016 -0.0013 2891 LEU 122 HG 0.0034 0.0005 -0.0008 2892 LEU 122 HD11 0.0036 0.0006 -0.0010 2893 LEU 122 HD12 0.0034 0.0015 -0.0014 2894 LEU 122 HD13 0.0027 0.0011 -0.0010 2895 LEU 122 HD21 0.0031 -0.0005 -0.0002 2896 LEU 122 HD22 0.0021 -0.0001 -0.0002 2897 LEU 122 HD23 0.0024 -0.0005 -0.0001 2898 ARG 123 N 0.0004 0.0010 -0.0006 2899 ARG 123 CA -0.0003 0.0015 -0.0008 2900 ARG 123 C -0.0008 0.0016 -0.0008 2901 ARG 123 O -0.0008 0.0011 -0.0004 2902 ARG 123 CB -0.0008 0.0013 -0.0006 2903 ARG 123 CG -0.0016 0.0018 -0.0007 2904 ARG 123 CD -0.0020 0.0018 -0.0006 2905 ARG 123 NE -0.0014 0.0018 -0.0008 2906 ARG 123 CZ -0.0010 0.0024 -0.0012 2907 ARG 123 NH1 -0.0012 0.0031 -0.0016 2908 ARG 123 NH2 -0.0004 0.0023 -0.0012 2909 ARG 123 H 0.0003 0.0005 -0.0003 2910 ARG 123 HA -0.0001 0.0021 -0.0011 2911 ARG 123 HB3 -0.0010 0.0008 -0.0002 2912 ARG 123 HB2 -0.0004 0.0012 -0.0006 2913 ARG 123 HG3 -0.0014 0.0024 -0.0011 2914 ARG 123 HG2 -0.0020 0.0017 -0.0006 2915 ARG 123 HD3 -0.0025 0.0022 -0.0008 2916 ARG 123 HD2 -0.0023 0.0013 -0.0003 2917 ARG 123 HH22 -0.0002 0.0028 -0.0016 2918 ARG 123 HH21 -0.0002 0.0018 -0.0010 2919 ARG 123 HH12 -0.0009 0.0035 -0.0019 2920 ARG 123 HH11 -0.0016 0.0032 -0.0015 2921 ARG 123 HE -0.0012 0.0014 -0.0005 2922 ARG 124 N 0.0062 0.0037 -0.0021 2923 ARG 124 CA 0.0051 0.0026 -0.0022 2924 ARG 124 C 0.0042 0.0019 -0.0026 2925 ARG 124 O 0.0040 0.0024 -0.0036 2926 ARG 124 CB 0.0047 0.0030 -0.0034 2927 ARG 124 CG 0.0055 0.0037 -0.0031 2928 ARG 124 CD 0.0051 0.0040 -0.0042 2929 ARG 124 NE 0.0060 0.0049 -0.0040 2930 ARG 124 CZ 0.0064 0.0047 -0.0030 2931 ARG 124 NH1 0.0060 0.0036 -0.0021 2932 ARG 124 NH2 0.0073 0.0057 -0.0030 2933 ARG 124 H 0.0064 0.0046 -0.0028 2934 ARG 124 HA 0.0052 0.0021 -0.0013 2935 ARG 124 HB3 0.0039 0.0021 -0.0036 2936 ARG 124 HB2 0.0046 0.0035 -0.0044 2937 ARG 124 HG3 0.0063 0.0045 -0.0029 2938 ARG 124 HG2 0.0055 0.0030 -0.0021 2939 ARG 124 HD3 0.0044 0.0032 -0.0041 2940 ARG 124 HD2 0.0047 0.0043 -0.0053 2941 ARG 124 HH22 0.0076 0.0056 -0.0024 2942 ARG 124 HH21 0.0076 0.0065 -0.0037 2943 ARG 124 HH12 0.0063 0.0034 -0.0013 2944 ARG 124 HH11 0.0054 0.0029 -0.0021 2945 ARG 124 HE 0.0063 0.0057 -0.0047 2946 GLU 125 N 0.0037 0.0007 -0.0018 2947 GLU 125 CA 0.0028 -0.0002 -0.0020 2948 GLU 125 C 0.0019 -0.0014 -0.0017 2949 GLU 125 O 0.0022 -0.0020 -0.0005 2950 GLU 125 CB 0.0033 -0.0003 -0.0011 2951 GLU 125 CG 0.0024 -0.0012 -0.0013 2952 GLU 125 CD 0.0028 -0.0012 -0.0006 2953 GLU 125 OE1 0.0035 -0.0002 -0.0008 2954 GLU 125 OE2 0.0025 -0.0021 0.0002 2955 GLU 125 H 0.0038 0.0003 -0.0010 2956 GLU 125 HA 0.0025 0.0002 -0.0031 2957 GLU 125 HB3 0.0038 -0.0005 -0.0000 2958 GLU 125 HB2 0.0039 0.0007 -0.0014 2959 GLU 125 HG3 0.0019 -0.0010 -0.0024 2960 GLU 125 HG2 0.0018 -0.0021 -0.0009 2961 PRO 126 N 0.0049 -0.0100 -0.0124 2962 PRO 126 CA 0.0033 -0.0083 -0.0150 2963 PRO 126 C 0.0031 -0.0050 -0.0130 2964 PRO 126 O 0.0044 -0.0046 -0.0096 2965 PRO 126 CB 0.0037 -0.0119 -0.0167 2966 PRO 126 CG 0.0057 -0.0147 -0.0136 2967 PRO 126 CD 0.0062 -0.0141 -0.0119 2968 PRO 126 HA 0.0021 -0.0072 -0.0173 2969 PRO 126 HB3 0.0030 -0.0133 -0.0192 2970 PRO 126 HB2 0.0032 -0.0112 -0.0174 2971 PRO 126 HG3 0.0062 -0.0178 -0.0147 2972 PRO 126 HG2 0.0063 -0.0139 -0.0115 2973 PRO 126 HD2 0.0076 -0.0148 -0.0090 2974 PRO 126 HD3 0.0062 -0.0160 -0.0134 2975 PRO 127 N 0.0016 -0.0027 -0.0153 2976 PRO 127 CA 0.0013 0.0003 -0.0138 2977 PRO 127 C 0.0028 -0.0013 -0.0112 2978 PRO 127 O 0.0035 -0.0047 -0.0119 2979 PRO 127 CB -0.0005 0.0018 -0.0173 2980 PRO 127 CG -0.0015 0.0010 -0.0203 2981 PRO 127 CD -0.0001 -0.0028 -0.0194 2982 PRO 127 HA 0.0013 0.0026 -0.0122 2983 PRO 127 HB3 -0.0012 0.0048 -0.0168 2984 PRO 127 HB2 -0.0004 0.0001 -0.0181 2985 PRO 127 HG3 -0.0021 0.0034 -0.0199 2986 PRO 127 HG2 -0.0027 0.0009 -0.0232 2987 PRO 127 HD2 0.0001 -0.0053 -0.0207 2988 PRO 127 HD3 -0.0004 -0.0031 -0.0205 2989 HIS 128 N 0.0047 0.0043 -0.0095 2990 HIS 128 CA 0.0064 0.0043 -0.0070 2991 HIS 128 C 0.0088 0.0015 -0.0049 2992 HIS 128 O 0.0103 0.0014 -0.0028 2993 HIS 128 CB 0.0056 0.0041 -0.0082 2994 HIS 128 CG 0.0032 0.0063 -0.0106 2995 HIS 128 ND1 0.0023 0.0098 -0.0105 2996 HIS 128 CD2 0.0016 0.0055 -0.0133 2997 HIS 128 CE1 0.0001 0.0109 -0.0130 2998 HIS 128 NE2 -0.0004 0.0085 -0.0149 2999 HIS 128 H 0.0041 0.0066 -0.0093 3000 HIS 128 HA 0.0066 0.0069 -0.0056 3001 HIS 128 HB3 0.0068 0.0048 -0.0063 3002 HIS 128 HB2 0.0058 0.0013 -0.0092 3003 HIS 128 HD1 0.0029 0.0112 -0.0089 3004 HIS 128 HD2 0.0017 0.0031 -0.0143 3005 HIS 128 HE1 -0.0011 0.0135 -0.0136 3006 SER 129 N 0.0091 -0.0005 -0.0054 3007 SER 129 CA 0.0112 -0.0031 -0.0034 3008 SER 129 C 0.0130 -0.0013 -0.0001 3009 SER 129 O 0.0126 0.0010 0.0004 3010 SER 129 CB 0.0110 -0.0053 -0.0048 3011 SER 129 OG 0.0131 -0.0078 -0.0029 3012 SER 129 H 0.0077 -0.0003 -0.0072 3013 SER 129 HA 0.0117 -0.0050 -0.0036 3014 SER 129 HB3 0.0103 -0.0036 -0.0050 3015 SER 129 HB2 0.0098 -0.0068 -0.0071 3016 SER 129 HG 0.0129 -0.0094 -0.0039 3017 PRO 130 N 0.0219 -0.0049 0.0060 3018 PRO 130 CA 0.0196 -0.0048 0.0081 3019 PRO 130 C 0.0183 -0.0034 0.0063 3020 PRO 130 O 0.0159 -0.0029 0.0077 3021 PRO 130 CB 0.0216 -0.0068 0.0106 3022 PRO 130 CG 0.0251 -0.0076 0.0089 3023 PRO 130 CD 0.0252 -0.0066 0.0066 3024 PRO 130 HA 0.0176 -0.0044 0.0093 3025 PRO 130 HB3 0.0214 -0.0075 0.0126 3026 PRO 130 HB2 0.0209 -0.0069 0.0118 3027 PRO 130 HG3 0.0269 -0.0091 0.0104 3028 PRO 130 HG2 0.0255 -0.0072 0.0074 3029 PRO 130 HD2 0.0269 -0.0064 0.0043 3030 PRO 130 HD3 0.0259 -0.0075 0.0077 3031 ASN 131 N 0.0198 -0.0028 0.0033 3032 ASN 131 CA 0.0193 -0.0019 0.0018 3033 ASN 131 C 0.0190 -0.0002 -0.0018 3034 ASN 131 O 0.0186 0.0006 -0.0032 3035 ASN 131 CB 0.0218 -0.0034 0.0026 3036 ASN 131 CG 0.0253 -0.0042 0.0009 3037 ASN 131 OD1 0.0261 -0.0039 -0.0008 3038 ASN 131 ND2 0.0274 -0.0054 0.0014 3039 ASN 131 H 0.0216 -0.0031 0.0022 3040 ASN 131 HA 0.0169 -0.0013 0.0029 3041 ASN 131 HB3 0.0218 -0.0045 0.0052 3042 ASN 131 HB2 0.0210 -0.0027 0.0019 3043 ASN 131 HD22 0.0297 -0.0060 0.0003 3044 ASN 131 HD21 0.0268 -0.0057 0.0027 3045 SER 132 N 0.0109 -0.0013 0.0002 3046 SER 132 CA 0.0107 -0.0011 -0.0007 3047 SER 132 C 0.0100 -0.0005 -0.0009 3048 SER 132 O 0.0100 -0.0004 -0.0009 3049 SER 132 CB 0.0113 -0.0016 -0.0014 3050 SER 132 OG 0.0115 -0.0017 -0.0015 3051 SER 132 H 0.0109 -0.0013 0.0004 3052 SER 132 HA 0.0106 -0.0010 -0.0007 3053 SER 132 HB3 0.0118 -0.0020 -0.0011 3054 SER 132 HB2 0.0112 -0.0014 -0.0020 3055 SER 132 HG 0.0111 -0.0013 -0.0019 3056 PHE 133 N 0.0095 0.0000 -0.0012 3057 PHE 133 CA 0.0088 0.0006 -0.0014 3058 PHE 133 C 0.0086 0.0009 -0.0023 3059 PHE 133 O 0.0089 0.0006 -0.0026 3060 PHE 133 CB 0.0083 0.0010 -0.0006 3061 PHE 133 CG 0.0084 0.0008 0.0003 3062 PHE 133 CD1 0.0089 0.0004 0.0009 3063 PHE 133 CD2 0.0081 0.0011 0.0007 3064 PHE 133 CE1 0.0090 0.0002 0.0017 3065 PHE 133 CE2 0.0083 0.0009 0.0016 3066 PHE 133 CZ 0.0087 0.0005 0.0021 3067 PHE 133 H 0.0096 -0.0001 -0.0012 3068 PHE 133 HA 0.0088 0.0006 -0.0014 3069 PHE 133 HB3 0.0078 0.0015 -0.0008 3070 PHE 133 HB2 0.0083 0.0010 -0.0006 3071 PHE 133 HD1 0.0092 0.0002 0.0006 3072 PHE 133 HD2 0.0078 0.0014 0.0003 3073 PHE 133 HE1 0.0094 -0.0001 0.0021 3074 PHE 133 HE2 0.0080 0.0011 0.0019 3075 PHE 133 HZ 0.0088 0.0004 0.0028 3076 ARG 134 N 0.0041 0.0001 0.0089 3077 ARG 134 CA 0.0046 -0.0010 0.0099 3078 ARG 134 C 0.0054 -0.0029 0.0089 3079 ARG 134 O 0.0057 -0.0036 0.0084 3080 ARG 134 CB 0.0047 -0.0010 0.0122 3081 ARG 134 CG 0.0052 -0.0021 0.0134 3082 ARG 134 CD 0.0054 -0.0023 0.0157 3083 ARG 134 NE 0.0047 -0.0006 0.0168 3084 ARG 134 CZ 0.0044 0.0002 0.0181 3085 ARG 134 NH1 0.0048 -0.0007 0.0183 3086 ARG 134 NH2 0.0038 0.0018 0.0190 3087 ARG 134 H 0.0044 -0.0006 0.0088 3088 ARG 134 HA 0.0043 -0.0004 0.0096 3089 ARG 134 HB3 0.0050 -0.0017 0.0125 3090 ARG 134 HB2 0.0041 0.0004 0.0128 3091 ARG 134 HG3 0.0048 -0.0012 0.0133 3092 ARG 134 HG2 0.0058 -0.0034 0.0127 3093 ARG 134 HD3 0.0059 -0.0034 0.0163 3094 ARG 134 HD2 0.0057 -0.0028 0.0158 3095 ARG 134 HH22 0.0037 0.0021 0.0205 3096 ARG 134 HH21 0.0034 0.0025 0.0185 3097 ARG 134 HH12 0.0047 -0.0002 0.0193 3098 ARG 134 HH11 0.0053 -0.0018 0.0174 3099 ARG 134 HE 0.0044 0.0001 0.0167 3100 LEU 135 N 0.0058 -0.0038 0.0088 3101 LEU 135 CA 0.0066 -0.0058 0.0084 3102 LEU 135 C 0.0072 -0.0070 0.0101 3103 LEU 135 O 0.0072 -0.0067 0.0119 3104 LEU 135 CB 0.0069 -0.0064 0.0081 3105 LEU 135 CG 0.0066 -0.0059 0.0061 3106 LEU 135 CD1 0.0067 -0.0063 0.0062 3107 LEU 135 CD2 0.0069 -0.0069 0.0042 3108 LEU 135 H 0.0055 -0.0031 0.0092 3109 LEU 135 HA 0.0067 -0.0062 0.0070 3110 LEU 135 HB3 0.0075 -0.0079 0.0082 3111 LEU 135 HB2 0.0067 -0.0058 0.0094 3112 LEU 135 HG 0.0059 -0.0044 0.0059 3113 LEU 135 HD11 0.0064 -0.0056 0.0049 3114 LEU 135 HD12 0.0066 -0.0057 0.0076 3115 LEU 135 HD13 0.0074 -0.0078 0.0061 3116 LEU 135 HD21 0.0066 -0.0063 0.0028 3117 LEU 135 HD22 0.0076 -0.0084 0.0042 3118 LEU 135 HD23 0.0069 -0.0069 0.0042 3119 GLU 136 N 0.0000 -0.0047 0.0103 3120 GLU 136 CA -0.0003 -0.0048 0.0104 3121 GLU 136 C 0.0005 -0.0051 0.0104 3122 GLU 136 O 0.0012 -0.0048 0.0100 3123 GLU 136 CB -0.0007 -0.0040 0.0101 3124 GLU 136 CG -0.0015 -0.0041 0.0104 3125 GLU 136 CD -0.0020 -0.0033 0.0101 3126 GLU 136 OE1 -0.0016 -0.0028 0.0097 3127 GLU 136 OE2 -0.0028 -0.0032 0.0103 3128 GLU 136 H 0.0005 -0.0044 0.0100 3129 GLU 136 HA -0.0007 -0.0052 0.0108 3130 GLU 136 HB3 -0.0003 -0.0037 0.0098 3131 GLU 136 HB2 -0.0009 -0.0036 0.0100 3132 GLU 136 HG3 -0.0019 -0.0044 0.0107 3133 GLU 136 HG2 -0.0013 -0.0044 0.0105 3134 LYS 137 N 0.0005 -0.0057 0.0107 3135 LYS 137 CA 0.0011 -0.0059 0.0106 3136 LYS 137 C 0.0009 -0.0055 0.0105 3137 LYS 137 O 0.0002 -0.0055 0.0107 3138 LYS 137 CB 0.0012 -0.0068 0.0111 3139 LYS 137 CG 0.0021 -0.0071 0.0110 3140 LYS 137 CD 0.0021 -0.0078 0.0114 3141 LYS 137 CE 0.0020 -0.0085 0.0119 3142 LYS 137 NZ 0.0020 -0.0092 0.0122 3143 LYS 137 H -0.0001 -0.0059 0.0110 3144 LYS 137 HA 0.0017 -0.0057 0.0104 3145 LYS 137 HB3 0.0007 -0.0069 0.0113 3146 LYS 137 HB2 0.0012 -0.0071 0.0113 3147 LYS 137 HG3 0.0026 -0.0072 0.0110 3148 LYS 137 HG2 0.0024 -0.0066 0.0107 3149 LYS 137 HD3 0.0027 -0.0078 0.0113 3150 LYS 137 HD2 0.0016 -0.0076 0.0115 3151 LYS 137 HE3 0.0014 -0.0085 0.0120 3152 LYS 137 HE2 0.0025 -0.0087 0.0118 3153 LYS 137 HZ1 0.0026 -0.0092 0.0120 3154 LYS 137 HZ2 0.0020 -0.0097 0.0125 3155 LYS 137 HZ3 0.0015 -0.0090 0.0123 3156 ILE 138 N -0.0021 -0.0028 0.0055 3157 ILE 138 CA -0.0021 -0.0019 0.0048 3158 ILE 138 C -0.0014 -0.0011 0.0052 3159 ILE 138 O -0.0009 -0.0013 0.0060 3160 ILE 138 CB -0.0022 -0.0015 0.0044 3161 ILE 138 CG1 -0.0016 -0.0013 0.0051 3162 ILE 138 CG2 -0.0030 -0.0021 0.0039 3163 ILE 138 CD1 -0.0016 -0.0008 0.0048 3164 ILE 138 H -0.0016 -0.0028 0.0061 3165 ILE 138 HA -0.0026 -0.0019 0.0043 3166 ILE 138 HB -0.0022 -0.0008 0.0040 3167 ILE 138 HG13 -0.0010 -0.0009 0.0055 3168 ILE 138 HG12 -0.0016 -0.0021 0.0056 3169 ILE 138 HG21 -0.0031 -0.0018 0.0036 3170 ILE 138 HG22 -0.0034 -0.0022 0.0034 3171 ILE 138 HG23 -0.0030 -0.0029 0.0043 3172 ILE 138 HD11 -0.0011 -0.0006 0.0053 3173 ILE 138 HD12 -0.0016 -0.0001 0.0043 3174 ILE 138 HD13 -0.0020 -0.0012 0.0045 3175 LEU 139 N -0.0014 -0.0003 0.0046 3176 LEU 139 CA -0.0008 0.0005 0.0049 3177 LEU 139 C -0.0005 0.0014 0.0046 3178 LEU 139 O -0.0010 0.0016 0.0039 3179 LEU 139 CB -0.0011 0.0008 0.0043 3180 LEU 139 CG -0.0005 0.0015 0.0046 3181 LEU 139 CD1 -0.0000 0.0010 0.0055 3182 LEU 139 CD2 -0.0009 0.0018 0.0039 3183 LEU 139 H -0.0018 -0.0001 0.0040 3184 LEU 139 HA -0.0004 0.0003 0.0055 3185 LEU 139 HB3 -0.0015 0.0011 0.0036 3186 LEU 139 HB2 -0.0015 0.0001 0.0043 3187 LEU 139 HG -0.0001 0.0021 0.0046 3188 LEU 139 HD11 0.0000 0.0011 0.0055 3189 LEU 139 HD12 0.0005 0.0013 0.0060 3190 LEU 139 HD13 -0.0003 0.0002 0.0057 3191 LEU 139 HD21 -0.0005 0.0022 0.0041 3192 LEU 139 HD22 -0.0013 0.0011 0.0038 3193 LEU 139 HD23 -0.0011 0.0022 0.0033 3194 VAL 140 N -0.0040 0.0015 -0.0010 3195 VAL 140 CA -0.0035 0.0029 -0.0010 3196 VAL 140 C -0.0027 0.0033 -0.0009 3197 VAL 140 O -0.0021 0.0025 -0.0007 3198 VAL 140 CB -0.0025 0.0031 -0.0008 3199 VAL 140 CG1 -0.0032 0.0030 -0.0010 3200 VAL 140 CG2 -0.0013 0.0021 -0.0005 3201 VAL 140 H -0.0034 0.0008 -0.0008 3202 VAL 140 HA -0.0043 0.0036 -0.0013 3203 VAL 140 HB -0.0020 0.0041 -0.0009 3204 VAL 140 HG11 -0.0025 0.0032 -0.0009 3205 VAL 140 HG12 -0.0040 0.0037 -0.0013 3206 VAL 140 HG13 -0.0036 0.0020 -0.0010 3207 VAL 140 HG21 -0.0007 0.0021 -0.0003 3208 VAL 140 HG22 -0.0016 0.0010 -0.0004 3209 VAL 140 HG23 -0.0006 0.0023 -0.0003 3210 SER 141 N -0.0028 0.0046 -0.0011 3211 SER 141 CA -0.0022 0.0052 -0.0010 3212 SER 141 C -0.0007 0.0057 -0.0008 3213 SER 141 O -0.0005 0.0067 -0.0009 3214 SER 141 CB -0.0030 0.0064 -0.0014 3215 SER 141 OG -0.0043 0.0059 -0.0016 3216 SER 141 H -0.0035 0.0052 -0.0013 3217 SER 141 HA -0.0021 0.0044 -0.0009 3218 SER 141 HB3 -0.0025 0.0068 -0.0013 3219 SER 141 HB2 -0.0031 0.0072 -0.0015 3220 SER 141 HG -0.0048 0.0059 -0.0017 3221 VAL 142 N -0.0017 0.0029 -0.0011 3222 VAL 142 CA -0.0005 0.0031 -0.0016 3223 VAL 142 C 0.0003 0.0033 -0.0019 3224 VAL 142 O 0.0012 0.0036 -0.0024 3225 VAL 142 CB 0.0001 0.0021 -0.0016 3226 VAL 142 CG1 -0.0004 0.0020 -0.0014 3227 VAL 142 CG2 0.0001 0.0009 -0.0014 3228 VAL 142 H -0.0018 0.0020 -0.0009 3229 VAL 142 HA -0.0005 0.0039 -0.0018 3230 VAL 142 HB 0.0010 0.0023 -0.0020 3231 VAL 142 HG11 0.0001 0.0014 -0.0015 3232 VAL 142 HG12 -0.0004 0.0028 -0.0016 3233 VAL 142 HG13 -0.0013 0.0017 -0.0011 3234 VAL 142 HG21 0.0005 0.0002 -0.0014 3235 VAL 142 HG22 -0.0007 0.0006 -0.0010 3236 VAL 142 HG23 0.0006 0.0009 -0.0016 3237 GLY 143 N -0.0002 0.0032 -0.0017 3238 GLY 143 CA 0.0004 0.0033 -0.0020 3239 GLY 143 C -0.0002 0.0026 -0.0016 3240 GLY 143 O -0.0010 0.0020 -0.0012 3241 GLY 143 H -0.0010 0.0029 -0.0014 3242 GLY 143 HA3 0.0013 0.0029 -0.0023 3243 GLY 143 HA2 0.0004 0.0042 -0.0022 3244 CYS 144 N -0.0010 0.0024 -0.0009 3245 CYS 144 CA -0.0010 0.0022 -0.0008 3246 CYS 144 C -0.0008 0.0020 -0.0008 3247 CYS 144 O -0.0007 0.0020 -0.0010 3248 CYS 144 CB -0.0011 0.0022 -0.0007 3249 CYS 144 SG -0.0013 0.0025 -0.0006 3250 CYS 144 H -0.0009 0.0024 -0.0011 3251 CYS 144 HA -0.0011 0.0021 -0.0006 3252 CYS 144 HB3 -0.0010 0.0021 -0.0006 3253 CYS 144 HB2 -0.0010 0.0023 -0.0009 3254 THR 145 N -0.0008 0.0017 -0.0007 3255 THR 145 CA -0.0006 0.0015 -0.0007 3256 THR 145 C -0.0006 0.0013 -0.0006 3257 THR 145 O -0.0008 0.0014 -0.0004 3258 THR 145 CB -0.0006 0.0014 -0.0006 3259 THR 145 OG1 -0.0004 0.0012 -0.0007 3260 THR 145 CG2 -0.0008 0.0013 -0.0004 3261 THR 145 H -0.0009 0.0017 -0.0005 3262 THR 145 HA -0.0005 0.0015 -0.0009 3263 THR 145 HB -0.0007 0.0015 -0.0007 3264 THR 145 HG1 -0.0004 0.0013 -0.0009 3265 THR 145 HG21 -0.0007 0.0012 -0.0003 3266 THR 145 HG22 -0.0009 0.0015 -0.0003 3267 THR 145 HG23 -0.0007 0.0011 -0.0003 3268 CYS 146 N -0.0019 0.0004 -0.0005 3269 CYS 146 CA -0.0027 -0.0002 -0.0001 3270 CYS 146 C -0.0030 -0.0002 -0.0011 3271 CYS 146 O -0.0033 -0.0001 -0.0021 3272 CYS 146 CB -0.0037 -0.0009 0.0001 3273 CYS 146 SG -0.0047 -0.0017 0.0008 3274 CYS 146 H -0.0021 0.0004 -0.0011 3275 CYS 146 HA -0.0024 -0.0002 0.0008 3276 CYS 146 HB3 -0.0040 -0.0009 -0.0008 3277 CYS 146 HB2 -0.0034 -0.0008 0.0007 3278 VAL 147 N -0.0029 -0.0002 -0.0007 3279 VAL 147 CA -0.0032 -0.0002 -0.0015 3280 VAL 147 C -0.0041 -0.0009 -0.0009 3281 VAL 147 O -0.0041 -0.0012 0.0002 3282 VAL 147 CB -0.0023 0.0004 -0.0016 3283 VAL 147 CG1 -0.0014 0.0011 -0.0023 3284 VAL 147 CG2 -0.0018 0.0005 -0.0004 3285 VAL 147 H -0.0027 -0.0003 0.0002 3286 VAL 147 HA -0.0036 -0.0003 -0.0024 3287 VAL 147 HB -0.0026 0.0003 -0.0022 3288 VAL 147 HG11 -0.0008 0.0016 -0.0024 3289 VAL 147 HG12 -0.0018 0.0011 -0.0033 3290 VAL 147 HG13 -0.0011 0.0012 -0.0018 3291 VAL 147 HG21 -0.0011 0.0010 -0.0006 3292 VAL 147 HG22 -0.0015 0.0005 0.0003 3293 VAL 147 HG23 -0.0023 0.0001 -0.0000 3294 THR 148 N -0.0048 -0.0046 -0.0031 3295 THR 148 CA -0.0054 -0.0053 -0.0026 3296 THR 148 C -0.0054 -0.0049 -0.0019 3297 THR 148 O -0.0049 -0.0044 -0.0022 3298 THR 148 CB -0.0057 -0.0060 -0.0034 3299 THR 148 OG1 -0.0054 -0.0057 -0.0041 3300 THR 148 CG2 -0.0059 -0.0065 -0.0041 3301 THR 148 H -0.0046 -0.0046 -0.0039 3302 THR 148 HA -0.0057 -0.0055 -0.0022 3303 THR 148 HB -0.0062 -0.0065 -0.0030 3304 THR 148 HG1 -0.0053 -0.0056 -0.0037 3305 THR 148 HG21 -0.0061 -0.0070 -0.0047 3306 THR 148 HG22 -0.0062 -0.0068 -0.0037 3307 THR 148 HG23 -0.0054 -0.0060 -0.0045 3308 PRO 149 N -0.0057 -0.0051 -0.0009 3309 PRO 149 CA -0.0057 -0.0048 -0.0002 3310 PRO 149 C -0.0059 -0.0052 -0.0006 3311 PRO 149 O -0.0063 -0.0059 -0.0011 3312 PRO 149 CB -0.0062 -0.0051 0.0008 3313 PRO 149 CG -0.0066 -0.0058 0.0005 3314 PRO 149 CD -0.0062 -0.0056 -0.0004 3315 PRO 149 HA -0.0052 -0.0041 -0.0001 3316 PRO 149 HB3 -0.0059 -0.0045 0.0013 3317 PRO 149 HB2 -0.0064 -0.0052 0.0013 3318 PRO 149 HG3 -0.0069 -0.0059 0.0011 3319 PRO 149 HG2 -0.0070 -0.0064 0.0003 3320 PRO 149 HD2 -0.0065 -0.0062 -0.0009 3321 PRO 149 HD3 -0.0060 -0.0052 -0.0002 3322 VAL 151 N -0.0155 -0.0075 -0.0044 3323 VAL 151 CA -0.0085 -0.0063 -0.0084 3324 VAL 151 C -0.0053 -0.0017 -0.0059 3325 VAL 151 O -0.0069 0.0024 -0.0006 3326 VAL 151 CB -0.0050 -0.0041 -0.0087 3327 VAL 151 CG1 0.0026 -0.0023 -0.0124 3328 VAL 151 CG2 -0.0082 -0.0086 -0.0109 3329 VAL 151 H -0.0164 -0.0044 -0.0006 3330 VAL 151 HA -0.0079 -0.0102 -0.0127 3331 VAL 151 HB -0.0056 -0.0003 -0.0042 3332 VAL 151 HG11 0.0047 -0.0012 -0.0127 3333 VAL 151 HG12 0.0053 0.0014 -0.0105 3334 VAL 151 HG13 0.0038 -0.0058 -0.0168 3335 VAL 151 HG21 -0.0057 -0.0071 -0.0111 3336 VAL 151 HG22 -0.0079 -0.0126 -0.0153 3337 VAL 151 HG23 -0.0134 -0.0095 -0.0080 3338 HIS 152 N -0.0008 -0.0023 -0.0098 3339 HIS 152 CA 0.0032 0.0019 -0.0084 3340 HIS 152 C 0.0090 0.0005 -0.0142 3341 HIS 152 O 0.0086 -0.0044 -0.0189 3342 HIS 152 CB -0.0010 0.0019 -0.0053 3343 HIS 152 CG -0.0048 -0.0037 -0.0084 3344 HIS 152 ND1 -0.0103 -0.0081 -0.0089 3345 HIS 152 CD2 -0.0039 -0.0057 -0.0111 3346 HIS 152 CE1 -0.0124 -0.0125 -0.0118 3347 HIS 152 NE2 -0.0088 -0.0113 -0.0132 3348 HIS 152 H 0.0004 -0.0057 -0.0141 3349 HIS 152 HA 0.0052 0.0061 -0.0056 3350 HIS 152 HB3 -0.0046 0.0036 -0.0010 3351 HIS 152 HB2 0.0022 0.0050 -0.0045 3352 HIS 152 HD1 -0.0123 -0.0081 -0.0074 3353 HIS 152 HD2 -0.0002 -0.0036 -0.0115 3354 HIS 152 HE1 -0.0167 -0.0165 -0.0128 3355 HIS 153 N 0.0465 0.0036 -0.0161 3356 HIS 153 CA 0.0235 0.0078 -0.0087 3357 HIS 153 C 0.0069 0.0009 -0.0007 3358 HIS 153 O 0.0121 -0.0172 0.0022 3359 HIS 153 CB 0.0223 -0.0084 -0.0039 3360 HIS 153 CG 0.0029 -0.0018 0.0015 3361 HIS 153 ND1 -0.0205 -0.0009 0.0099 3362 HIS 153 CD2 0.0036 0.0039 -0.0003 3363 HIS 153 CE1 -0.0324 0.0055 0.0126 3364 HIS 153 NE2 -0.0189 0.0088 0.0067 3365 HIS 153 H 0.0504 -0.0135 -0.0130 3366 HIS 153 HA 0.0199 0.0265 -0.0123 3367 HIS 153 HB3 0.0213 -0.0270 0.0014 3368 HIS 153 HB2 0.0384 -0.0082 -0.0099 3369 HIS 153 HD1 -0.0283 -0.0042 0.0137 3370 HIS 153 HD2 0.0184 0.0048 -0.0060 3371 HIS 153 HE1 -0.0510 0.0078 0.0189 3372 ALA 155 N -0.0025 -0.0016 0.0029 3373 ALA 155 CA 0.0042 0.0009 0.0037 3374 ALA 155 C 0.0091 -0.0027 0.0025 3375 ALA 155 O 0.0067 -0.0048 0.0019 3376 ALA 155 CB 0.0038 0.0079 0.0058 3377 ALA 155 OXT 0.0150 -0.0024 0.0026 3378 ALA 155 H -0.0051 -0.0004 0.0033 3379 ALA 155 HA 0.0062 0.0007 0.0036 3380 ALA 155 HB1 0.0086 0.0100 0.0065 3381 ALA 155 HB2 0.0007 0.0105 0.0067 3382 ALA 155 HB3 0.0019 0.0084 0.0060 3383 ILE 150 N -0.0153 -0.0080 -0.0011 3384 ILE 150 CA -0.0168 -0.0115 0.0019 3385 ILE 150 C -0.0192 -0.0119 0.0040 3386 ILE 150 O -0.0219 -0.0090 0.0048 3387 ILE 150 CB -0.0192 -0.0106 0.0034 3388 ILE 150 CG1 -0.0168 -0.0108 0.0015 3389 ILE 150 CG2 -0.0216 -0.0137 0.0068 3390 ILE 150 CD1 -0.0189 -0.0093 0.0025 3391 ILE 150 H -0.0171 -0.0051 -0.0010 3392 ILE 150 HA -0.0147 -0.0144 0.0016 3393 ILE 150 HB -0.0211 -0.0075 0.0033 3394 ILE 150 HG13 -0.0149 -0.0089 -0.0009 3395 ILE 150 HG12 -0.0151 -0.0140 0.0017 3396 ILE 150 HG21 -0.0236 -0.0134 0.0083 3397 ILE 150 HG22 -0.0200 -0.0169 0.0071 3398 ILE 150 HG23 -0.0233 -0.0130 0.0078 3399 ILE 150 HD11 -0.0170 -0.0091 0.0009 3400 ILE 150 HD12 -0.0209 -0.0063 0.0026 3401 ILE 150 HD13 -0.0203 -0.0116 0.0047 3402 VAL 154 N -0.0073 -0.0064 -0.0026 3403 VAL 154 CA -0.0061 -0.0067 -0.0036 3404 VAL 154 C -0.0157 -0.0108 -0.0021 3405 VAL 154 O -0.0227 -0.0116 0.0011 3406 VAL 154 CB -0.0015 0.0015 0.0020 3407 VAL 154 CG1 -0.0002 0.0022 0.0020 3408 VAL 154 CG2 0.0080 0.0054 0.0004 3409 VAL 154 H -0.0102 -0.0027 0.0028 3410 VAL 154 HA -0.0017 -0.0098 -0.0093 3411 VAL 154 HB -0.0058 0.0047 0.0077 3412 VAL 154 HG11 -0.0067 0.0008 0.0044 3413 VAL 154 HG12 0.0033 -0.0014 -0.0037 3414 VAL 154 HG13 0.0039 0.0079 0.0054 3415 VAL 154 HG21 0.0077 0.0054 0.0006 3416 VAL 154 HG22 0.0111 0.0112 0.0046 3417 VAL 154 HG23 0.0128 0.0026 -0.0051 3418 ASN 40 N 0.0220 -0.0007 0.0061 3419 ASN 40 CA 0.0206 0.0000 0.0059 3420 ASN 40 C 0.0210 -0.0002 0.0048 3421 ASN 40 O 0.0214 -0.0003 0.0033 3422 ASN 40 CB 0.0193 0.0007 0.0049 3423 ASN 40 CG 0.0184 0.0011 0.0060 3424 ASN 40 OD1 0.0183 0.0010 0.0076 3425 ASN 40 ND2 0.0177 0.0015 0.0052 3426 ASN 40 H1 0.0217 -0.0006 0.0068 3427 ASN 40 H2 0.0227 -0.0012 0.0068 3428 ASN 40 HA 0.0201 0.0002 0.0071 3429 ASN 40 HB2 0.0198 0.0005 0.0038 3430 ASN 40 HB3 0.0184 0.0012 0.0044 3431 ASN 40 HD22 0.0171 0.0018 0.0060 3432 ASN 40 HD21 0.0177 0.0016 0.0039 3433 ASP 65 N 0.0107 -0.0117 0.0213 3434 ASP 65 CA 0.0050 -0.0051 0.0193 3435 ASP 65 C -0.0003 -0.0017 0.0108 3436 ASP 65 O -0.0055 0.0045 0.0096 3437 ASP 65 CB 0.0025 0.0017 0.0278 3438 ASP 65 CG 0.0067 -0.0001 0.0366 3439 ASP 65 OD1 0.0105 -0.0055 0.0358 3440 ASP 65 OD2 0.0053 0.0047 0.0439 3441 ASP 65 H 0.0127 -0.0115 0.0282 3442 ASP 65 HA 0.0062 -0.0073 0.0179 3443 ASP 65 HB2 0.0016 0.0037 0.0297 3444 ASP 65 HB3 -0.0017 0.0065 0.0262