1 TYR 61 N 0.0211 0.0041 -0.0010 2 TYR 61 H1 0.0204 0.0050 -0.0004 3 TYR 61 H2 0.0224 0.0031 -0.0017 4 TYR 61 H3 0.0218 0.0052 -0.0006 5 TYR 61 CA 0.0191 0.0026 -0.0011 6 TYR 61 CB 0.0170 0.0040 -0.0000 7 TYR 61 CG 0.0176 0.0053 0.0004 8 TYR 61 CD1 0.0190 0.0074 0.0009 9 TYR 61 CE1 0.0196 0.0086 0.0013 10 TYR 61 CZ 0.0188 0.0077 0.0012 11 TYR 61 OH 0.0194 0.0090 0.0016 12 TYR 61 HH 0.0203 0.0104 0.0019 13 TYR 61 CE2 0.0173 0.0057 0.0006 14 TYR 61 CD2 0.0167 0.0044 0.0002 15 TYR 61 C 0.0182 0.0007 -0.0018 16 TYR 61 O 0.0177 0.0009 -0.0015 17 LYS 62 N 0.0182 -0.0014 -0.0026 18 LYS 62 H 0.0187 -0.0014 -0.0028 19 LYS 62 CA 0.0174 -0.0036 -0.0034 20 LYS 62 CB 0.0146 -0.0041 -0.0030 21 LYS 62 CG 0.0136 -0.0042 -0.0028 22 LYS 62 CD 0.0109 -0.0050 -0.0025 23 LYS 62 CE 0.0100 -0.0049 -0.0023 24 LYS 62 NZ 0.0075 -0.0059 -0.0021 25 LYS 62 HZ1 0.0064 -0.0050 -0.0014 26 LYS 62 HZ2 0.0073 -0.0076 -0.0028 27 LYS 62 HZ3 0.0069 -0.0059 -0.0019 28 LYS 62 C 0.0186 -0.0040 -0.0039 29 LYS 62 O 0.0175 -0.0049 -0.0040 30 GLY 63 N 0.0274 -0.0119 -0.0123 31 GLY 63 H 0.0309 -0.0105 -0.0116 32 GLY 63 CA 0.0286 -0.0126 -0.0133 33 GLY 63 C 0.0267 -0.0095 -0.0095 34 GLY 63 O 0.0305 -0.0071 -0.0079 35 ASN 64 N 0.0207 -0.0094 -0.0081 36 ASN 64 H 0.0177 -0.0113 -0.0094 37 ASN 64 CA 0.0182 -0.0067 -0.0045 38 ASN 64 CB 0.0126 -0.0090 -0.0057 39 ASN 64 CG 0.0144 -0.0124 -0.0097 40 ASN 64 OD1 0.0180 -0.0114 -0.0095 41 ASN 64 ND2 0.0115 -0.0164 -0.0134 42 ASN 64 1HD2 0.0124 -0.0188 -0.0161 43 ASN 64 2HD2 0.0085 -0.0171 -0.0134 44 ASN 64 C 0.0164 -0.0027 0.0002 45 ASN 64 O 0.0152 -0.0001 0.0033 46 TYR 65 N 0.0111 -0.0015 0.0023 47 TYR 65 H 0.0114 -0.0031 0.0012 48 TYR 65 CA 0.0100 0.0003 0.0034 49 TYR 65 CB 0.0080 -0.0002 0.0021 50 TYR 65 CG 0.0057 -0.0006 0.0008 51 TYR 65 CD1 0.0056 -0.0029 -0.0010 52 TYR 65 CE1 0.0034 -0.0034 -0.0023 53 TYR 65 CZ 0.0014 -0.0016 -0.0016 54 TYR 65 OH -0.0008 -0.0020 -0.0029 55 TYR 65 HH -0.0005 -0.0037 -0.0041 56 TYR 65 CE2 0.0015 0.0007 0.0002 57 TYR 65 CD2 0.0036 0.0011 0.0015 58 TYR 65 C 0.0123 0.0010 0.0049 59 TYR 65 O 0.0138 -0.0002 0.0044 60 GLN 66 N 0.0127 0.0031 0.0067 61 GLN 66 H 0.0114 0.0041 0.0070 62 GLN 66 CA 0.0147 0.0041 0.0083 63 GLN 66 CB 0.0160 0.0055 0.0099 64 GLN 66 CG 0.0176 0.0042 0.0095 65 GLN 66 CD 0.0201 0.0024 0.0090 66 GLN 66 OE1 0.0218 0.0029 0.0102 67 GLN 66 NE2 0.0203 0.0002 0.0074 68 GLN 66 1HE2 0.0219 -0.0010 0.0070 69 GLN 66 2HE2 0.0189 -0.0002 0.0065 70 GLN 66 C 0.0136 0.0057 0.0091 71 GLN 66 O 0.0114 0.0071 0.0094 72 LEU 67 N -0.0011 0.0081 0.0049 73 LEU 67 H -0.0010 0.0096 0.0037 74 LEU 67 CA 0.0002 0.0078 0.0071 75 LEU 67 CB 0.0017 0.0101 0.0073 76 LEU 67 CG 0.0031 0.0122 0.0076 77 LEU 67 CD1 0.0043 0.0144 0.0074 78 LEU 67 CD2 0.0042 0.0114 0.0099 79 LEU 67 C -0.0007 0.0060 0.0075 80 LEU 67 O -0.0016 0.0061 0.0059 81 GLN 68 N -0.0004 0.0042 0.0095 82 GLN 68 H 0.0003 0.0040 0.0108 83 GLN 68 CA -0.0011 0.0025 0.0100 84 GLN 68 CB -0.0030 0.0002 0.0093 85 GLN 68 CG -0.0038 -0.0017 0.0097 86 GLN 68 CD -0.0057 -0.0037 0.0086 87 GLN 68 OE1 -0.0061 -0.0052 0.0094 88 GLN 68 NE2 -0.0071 -0.0037 0.0066 89 GLN 68 1HE2 -0.0083 -0.0050 0.0058 90 GLN 68 2HE2 -0.0067 -0.0024 0.0060 91 GLN 68 C 0.0002 0.0018 0.0126 92 GLN 68 O 0.0010 0.0014 0.0141 93 THR 69 N -0.0141 -0.0040 0.0030 94 THR 69 H -0.0147 -0.0036 0.0015 95 THR 69 CA -0.0143 -0.0038 0.0028 96 THR 69 CB -0.0161 -0.0019 0.0018 97 THR 69 CG2 -0.0167 -0.0019 -0.0010 98 THR 69 OG1 -0.0163 -0.0017 0.0021 99 THR 69 HG1 -0.0176 -0.0003 0.0023 100 THR 69 C -0.0130 -0.0055 0.0012 101 THR 69 O -0.0124 -0.0065 -0.0004 102 LEU 70 N -0.0125 -0.0059 0.0018 103 LEU 70 H -0.0129 -0.0052 0.0033 104 LEU 70 CA -0.0113 -0.0075 0.0005 105 LEU 70 CB -0.0096 -0.0090 0.0023 106 LEU 70 CG -0.0081 -0.0109 0.0011 107 LEU 70 CD1 -0.0074 -0.0119 -0.0007 108 LEU 70 CD2 -0.0067 -0.0120 0.0032 109 LEU 70 C -0.0121 -0.0067 -0.0001 110 LEU 70 O -0.0125 -0.0059 0.0017 111 GLU 71 N -0.0192 -0.0162 -0.0032 112 GLU 71 H -0.0192 -0.0164 -0.0035 113 GLU 71 CA -0.0198 -0.0169 -0.0048 114 GLU 71 CB -0.0220 -0.0170 -0.0055 115 GLU 71 CG -0.0228 -0.0177 -0.0071 116 GLU 71 CD -0.0251 -0.0178 -0.0078 117 GLU 71 OE1 -0.0259 -0.0183 -0.0090 118 GLU 71 OE2 -0.0260 -0.0174 -0.0072 119 GLU 71 C -0.0182 -0.0177 -0.0063 120 GLU 71 O -0.0179 -0.0180 -0.0070 121 LEU 72 N -0.0171 -0.0180 -0.0069 122 LEU 72 H -0.0174 -0.0177 -0.0063 123 LEU 72 CA -0.0156 -0.0187 -0.0083 124 LEU 72 CB -0.0138 -0.0187 -0.0080 125 LEU 72 CG -0.0126 -0.0180 -0.0060 126 LEU 72 CD1 -0.0110 -0.0179 -0.0057 127 LEU 72 CD2 -0.0116 -0.0180 -0.0059 128 LEU 72 C -0.0164 -0.0196 -0.0104 129 LEU 72 O -0.0176 -0.0197 -0.0108 130 ASN 73 N -0.0128 -0.0181 -0.0120 131 ASN 73 H -0.0131 -0.0193 -0.0128 132 ASN 73 CA -0.0128 -0.0179 -0.0120 133 ASN 73 CB -0.0132 -0.0190 -0.0140 134 ASN 73 CG -0.0131 -0.0185 -0.0141 135 ASN 73 OD1 -0.0128 -0.0178 -0.0125 136 ASN 73 ND2 -0.0135 -0.0189 -0.0160 137 ASN 73 1HD2 -0.0134 -0.0188 -0.0162 138 ASN 73 2HD2 -0.0137 -0.0195 -0.0173 139 ASN 73 C -0.0127 -0.0191 -0.0099 140 ASN 73 O -0.0129 -0.0210 -0.0096 141 MET 74 N -0.0123 -0.0179 -0.0085 142 MET 74 H -0.0121 -0.0163 -0.0089 143 MET 74 CA -0.0122 -0.0186 -0.0064 144 MET 74 CB -0.0117 -0.0167 -0.0048 145 MET 74 CG -0.0115 -0.0155 -0.0045 146 MET 74 SD -0.0116 -0.0173 -0.0033 147 MET 74 CE -0.0114 -0.0154 -0.0039 148 MET 74 C -0.0123 -0.0199 -0.0063 149 MET 74 O -0.0123 -0.0210 -0.0047 150 GLU 75 N -0.0062 -0.0109 -0.0091 151 GLU 75 H -0.0055 -0.0112 -0.0092 152 GLU 75 CA -0.0069 -0.0104 -0.0070 153 GLU 75 CB -0.0064 -0.0107 -0.0054 154 GLU 75 CG -0.0043 -0.0118 -0.0047 155 GLU 75 CD -0.0038 -0.0120 -0.0034 156 GLU 75 OE1 -0.0051 -0.0113 -0.0031 157 GLU 75 OE2 -0.0022 -0.0129 -0.0026 158 GLU 75 C -0.0090 -0.0093 -0.0070 159 GLU 75 O -0.0099 -0.0088 -0.0057 160 THR 76 N -0.0100 -0.0088 -0.0085 161 THR 76 H -0.0093 -0.0092 -0.0096 162 THR 76 CA -0.0120 -0.0078 -0.0088 163 THR 76 CB -0.0125 -0.0076 -0.0105 164 THR 76 CG2 -0.0146 -0.0064 -0.0108 165 THR 76 OG1 -0.0117 -0.0080 -0.0100 166 THR 76 HG1 -0.0113 -0.0082 -0.0113 167 THR 76 C -0.0129 -0.0073 -0.0093 168 THR 76 O -0.0144 -0.0065 -0.0086 169 LEU 77 N -0.0040 -0.0095 -0.0039 170 LEU 77 H -0.0024 -0.0101 -0.0044 171 LEU 77 CA -0.0061 -0.0091 -0.0040 172 LEU 77 CB -0.0059 -0.0104 -0.0059 173 LEU 77 CG -0.0061 -0.0119 -0.0082 174 LEU 77 CD1 -0.0057 -0.0131 -0.0099 175 LEU 77 CD2 -0.0085 -0.0119 -0.0089 176 LEU 77 C -0.0060 -0.0078 -0.0020 177 LEU 77 O -0.0075 -0.0075 -0.0019 178 ASN 78 N -0.0042 -0.0070 -0.0003 179 ASN 78 H -0.0031 -0.0073 -0.0003 180 ASN 78 CA -0.0038 -0.0058 0.0017 181 ASN 78 CB -0.0013 -0.0054 0.0030 182 ASN 78 CG -0.0003 -0.0044 0.0048 183 ASN 78 OD1 -0.0007 -0.0044 0.0048 184 ASN 78 ND2 0.0012 -0.0036 0.0065 185 ASN 78 1HD2 0.0019 -0.0029 0.0077 186 ASN 78 2HD2 0.0016 -0.0037 0.0065 187 ASN 78 C -0.0059 -0.0044 0.0032 188 ASN 78 O -0.0064 -0.0039 0.0038 189 MET 79 N 0.0014 0.0025 -0.0010 190 MET 79 H 0.0012 0.0024 -0.0014 191 MET 79 CA 0.0003 0.0028 0.0001 192 MET 79 CB -0.0009 0.0030 0.0005 193 MET 79 CG -0.0002 0.0030 0.0016 194 MET 79 SD -0.0017 0.0033 0.0024 195 MET 79 CE -0.0020 0.0031 0.0005 196 MET 79 C -0.0006 0.0028 -0.0005 197 MET 79 O -0.0011 0.0030 0.0004 198 THR 80 N -0.0009 0.0026 -0.0021 199 THR 80 H -0.0006 0.0025 -0.0028 200 THR 80 CA -0.0018 0.0027 -0.0029 201 THR 80 CB -0.0026 0.0026 -0.0043 202 THR 80 CG2 -0.0038 0.0028 -0.0040 203 THR 80 OG1 -0.0015 0.0023 -0.0054 204 THR 80 HG1 -0.0013 0.0023 -0.0052 205 THR 80 C -0.0009 0.0025 -0.0033 206 THR 80 O -0.0015 0.0026 -0.0033 207 MET 81 N -0.0024 -0.0001 0.0033 208 MET 81 H -0.0026 -0.0002 0.0035 209 MET 81 CA -0.0015 -0.0003 0.0028 210 MET 81 CB -0.0013 0.0003 0.0020 211 MET 81 CG -0.0018 0.0011 0.0016 212 MET 81 SD -0.0017 0.0018 0.0007 213 MET 81 CE -0.0026 0.0025 0.0006 214 MET 81 C -0.0009 -0.0011 0.0031 215 MET 81 O -0.0012 -0.0014 0.0036 216 PRO 82 N -0.0002 -0.0015 0.0030 217 PRO 82 CA 0.0004 -0.0023 0.0033 218 PRO 82 CB 0.0011 -0.0027 0.0032 219 PRO 82 CG 0.0010 -0.0020 0.0026 220 PRO 82 CD 0.0001 -0.0014 0.0027 221 PRO 82 C 0.0008 -0.0022 0.0029 222 PRO 82 O 0.0012 -0.0017 0.0022 223 LEU 83 N -0.0055 -0.0079 0.0046 224 LEU 83 H -0.0053 -0.0076 0.0046 225 LEU 83 CA -0.0053 -0.0081 0.0046 226 LEU 83 CB -0.0048 -0.0082 0.0045 227 LEU 83 CG -0.0047 -0.0084 0.0044 228 LEU 83 CD1 -0.0042 -0.0085 0.0043 229 LEU 83 CD2 -0.0049 -0.0088 0.0044 230 LEU 83 C -0.0054 -0.0078 0.0046 231 LEU 83 O -0.0053 -0.0074 0.0046 232 SER 84 N -0.0055 -0.0081 0.0046 233 SER 84 H -0.0056 -0.0084 0.0046 234 SER 84 CA -0.0056 -0.0079 0.0047 235 SER 84 CB -0.0060 -0.0080 0.0048 236 SER 84 OG -0.0061 -0.0078 0.0048 237 SER 84 HG -0.0063 -0.0080 0.0048 238 SER 84 C -0.0052 -0.0080 0.0046 239 SER 84 O -0.0051 -0.0084 0.0045 240 CYS 85 N -0.0061 -0.0062 0.0059 241 CYS 85 H -0.0060 -0.0065 0.0060 242 CYS 85 CA -0.0065 -0.0057 0.0055 243 CYS 85 CB -0.0069 -0.0060 0.0049 244 CYS 85 SG -0.0069 -0.0065 0.0047 245 CYS 85 C -0.0065 -0.0052 0.0056 246 CYS 85 O -0.0063 -0.0055 0.0057 247 THR 86 N -0.0067 -0.0045 0.0055 248 THR 86 H -0.0069 -0.0043 0.0054 249 THR 86 CA -0.0068 -0.0041 0.0055 250 THR 86 CB -0.0067 -0.0034 0.0059 251 THR 86 CG2 -0.0068 -0.0028 0.0059 252 THR 86 OG1 -0.0062 -0.0035 0.0065 253 THR 86 HG1 -0.0062 -0.0030 0.0067 254 THR 86 C -0.0073 -0.0040 0.0049 255 THR 86 O -0.0076 -0.0036 0.0046 256 LYS 87 N -0.0109 0.0049 0.0032 257 LYS 87 H -0.0106 0.0046 0.0029 258 LYS 87 CA -0.0116 0.0047 0.0030 259 LYS 87 CB -0.0116 0.0041 0.0023 260 LYS 87 CG -0.0123 0.0039 0.0020 261 LYS 87 CD -0.0123 0.0032 0.0014 262 LYS 87 CE -0.0130 0.0030 0.0011 263 LYS 87 NZ -0.0128 0.0024 0.0005 264 LYS 87 HZ1 -0.0123 0.0023 0.0005 265 LYS 87 HZ2 -0.0128 0.0022 0.0003 266 LYS 87 HZ3 -0.0133 0.0022 0.0003 267 LYS 87 C -0.0123 0.0049 0.0031 268 LYS 87 O -0.0129 0.0051 0.0033 269 ASN 88 N -0.0122 0.0047 0.0029 270 ASN 88 H -0.0117 0.0045 0.0027 271 ASN 88 CA -0.0128 0.0048 0.0030 272 ASN 88 CB -0.0133 0.0043 0.0024 273 ASN 88 CG -0.0138 0.0042 0.0023 274 ASN 88 OD1 -0.0144 0.0046 0.0026 275 ASN 88 ND2 -0.0137 0.0037 0.0018 276 ASN 88 1HD2 -0.0140 0.0037 0.0017 277 ASN 88 2HD2 -0.0133 0.0035 0.0016 278 ASN 88 C -0.0123 0.0049 0.0031 279 ASN 88 O -0.0116 0.0049 0.0032 280 ASN 89 N -0.0114 0.0072 -0.0003 281 ASN 89 H -0.0127 0.0075 -0.0007 282 ASN 89 CA -0.0111 0.0075 0.0006 283 ASN 89 CB -0.0129 0.0084 0.0010 284 ASN 89 CG -0.0137 0.0095 0.0024 285 ASN 89 OD1 -0.0129 0.0096 0.0035 286 ASN 89 ND2 -0.0155 0.0102 0.0025 287 ASN 89 1HD2 -0.0162 0.0109 0.0034 288 ASN 89 2HD2 -0.0162 0.0100 0.0016 289 ASN 89 C -0.0102 0.0066 -0.0004 290 ASN 89 O -0.0090 0.0065 0.0003 291 SER 90 N -0.0108 0.0060 -0.0022 292 SER 90 H -0.0118 0.0061 -0.0028 293 SER 90 CA -0.0100 0.0051 -0.0035 294 SER 90 CB -0.0115 0.0049 -0.0052 295 SER 90 OG -0.0120 0.0047 -0.0060 296 SER 90 HG -0.0133 0.0050 -0.0065 297 SER 90 C -0.0083 0.0041 -0.0040 298 SER 90 O -0.0070 0.0036 -0.0040 299 HIS 91 N -0.0100 0.0029 -0.0013 300 HIS 91 H -0.0108 0.0032 -0.0013 301 HIS 91 CA -0.0090 0.0023 -0.0016 302 HIS 91 CB -0.0095 0.0018 -0.0026 303 HIS 91 CG -0.0100 0.0013 -0.0037 304 HIS 91 ND1 -0.0093 0.0005 -0.0045 305 HIS 91 CE1 -0.0101 0.0002 -0.0054 306 HIS 91 NE2 -0.0113 0.0007 -0.0052 307 HIS 91 CD2 -0.0112 0.0014 -0.0041 308 HIS 91 C -0.0082 0.0026 -0.0008 309 HIS 91 O -0.0086 0.0031 -0.0001 310 HIS 92 N -0.0069 0.0021 -0.0007 311 HIS 92 H -0.0066 0.0017 -0.0012 312 HIS 92 CA -0.0060 0.0023 0.0001 313 HIS 92 CB -0.0053 0.0026 0.0009 314 HIS 92 CG -0.0061 0.0033 0.0016 315 HIS 92 ND1 -0.0065 0.0041 0.0025 316 HIS 92 CE1 -0.0072 0.0046 0.0028 317 HIS 92 NE2 -0.0073 0.0042 0.0022 318 HIS 92 CD2 -0.0066 0.0034 0.0014 319 HIS 92 C -0.0050 0.0016 -0.0006 320 HIS 92 O -0.0049 0.0009 -0.0014 321 TYR 93 N -0.0079 0.0041 0.0014 322 TYR 93 H -0.0078 0.0040 0.0020 323 TYR 93 CA -0.0070 0.0040 0.0009 324 TYR 93 CB -0.0066 0.0040 0.0004 325 TYR 93 CG -0.0072 0.0043 -0.0003 326 TYR 93 CD1 -0.0079 0.0045 -0.0002 327 TYR 93 CE1 -0.0084 0.0048 -0.0010 328 TYR 93 CZ -0.0082 0.0049 -0.0018 329 TYR 93 OH -0.0087 0.0052 -0.0026 330 TYR 93 HH -0.0086 0.0053 -0.0030 331 TYR 93 CE2 -0.0074 0.0048 -0.0019 332 TYR 93 CD2 -0.0069 0.0045 -0.0012 333 TYR 93 C -0.0063 0.0037 0.0015 334 TYR 93 O -0.0062 0.0035 0.0023 335 ILE 94 N -0.0058 0.0037 0.0011 336 ILE 94 H -0.0059 0.0038 0.0005 337 ILE 94 CA -0.0051 0.0034 0.0015 338 ILE 94 CB -0.0052 0.0034 0.0016 339 ILE 94 CG2 -0.0044 0.0031 0.0020 340 ILE 94 CG1 -0.0061 0.0035 0.0021 341 ILE 94 CD1 -0.0064 0.0036 0.0019 342 ILE 94 C -0.0043 0.0033 0.0009 343 ILE 94 O -0.0043 0.0035 0.0001 344 ARG 95 N -0.0060 0.0007 0.0020 345 ARG 95 H -0.0061 -0.0003 0.0023 346 ARG 95 CA -0.0047 0.0021 0.0023 347 ARG 95 CB -0.0031 0.0016 0.0034 348 ARG 95 CG -0.0027 0.0001 0.0043 349 ARG 95 CD -0.0012 -0.0003 0.0054 350 ARG 95 NE -0.0008 -0.0018 0.0062 351 ARG 95 HE -0.0016 -0.0025 0.0060 352 ARG 95 CZ 0.0006 -0.0023 0.0073 353 ARG 95 NH1 0.0018 -0.0013 0.0076 354 ARG 95 1HH1 0.0016 -0.0001 0.0071 355 ARG 95 2HH1 0.0028 -0.0016 0.0084 356 ARG 95 NH2 0.0008 -0.0038 0.0080 357 ARG 95 1HH2 0.0000 -0.0045 0.0078 358 ARG 95 2HH2 0.0018 -0.0041 0.0088 359 ARG 95 C -0.0044 0.0026 0.0022 360 ARG 95 O -0.0047 0.0016 0.0024 361 VAL 96 N -0.0039 0.0043 0.0019 362 VAL 96 H -0.0038 0.0051 0.0016 363 VAL 96 CA -0.0035 0.0049 0.0019 364 VAL 96 CB -0.0044 0.0062 0.0008 365 VAL 96 CG1 -0.0039 0.0067 0.0009 366 VAL 96 CG2 -0.0061 0.0054 0.0000 367 VAL 96 C -0.0019 0.0058 0.0026 368 VAL 96 O -0.0016 0.0072 0.0022 369 GLY 97 N -0.0032 0.0075 0.0030 370 GLY 97 H -0.0041 0.0036 0.0042 371 GLY 97 CA 0.0028 0.0097 0.0056 372 GLY 97 C 0.0039 0.0094 0.0064 373 GLY 97 O 0.0010 0.0055 0.0064 374 ASN 98 N 0.0084 0.0134 0.0073 375 ASN 98 H 0.0108 0.0164 0.0074 376 ASN 98 CA 0.0101 0.0141 0.0080 377 ASN 98 CB 0.0166 0.0141 0.0118 378 ASN 98 CG 0.0207 0.0193 0.0120 379 ASN 98 OD1 0.0191 0.0233 0.0093 380 ASN 98 ND2 0.0263 0.0190 0.0154 381 ASN 98 1HD2 0.0292 0.0222 0.0158 382 ASN 98 2HD2 0.0274 0.0156 0.0176 383 ASN 98 C 0.0085 0.0198 0.0046 384 ASN 98 O 0.0084 0.0207 0.0041 385 GLU 99 N 0.0069 0.0180 0.0078 386 GLU 99 H 0.0077 0.0181 0.0085 387 GLU 99 CA 0.0065 0.0206 0.0047 388 GLU 99 CB 0.0082 0.0234 0.0035 389 GLU 99 CG 0.0119 0.0251 0.0054 390 GLU 99 CD 0.0135 0.0280 0.0040 391 GLU 99 OE1 0.0118 0.0288 0.0015 392 GLU 99 OE2 0.0165 0.0295 0.0054 393 GLU 99 C 0.0031 0.0198 0.0021 394 GLU 99 O 0.0022 0.0208 0.0002 395 THR 100 N 0.0010 0.0180 0.0020 396 THR 100 H 0.0015 0.0170 0.0036 397 THR 100 CA -0.0022 0.0175 -0.0006 398 THR 100 CB -0.0027 0.0190 -0.0027 399 THR 100 CG2 -0.0060 0.0187 -0.0057 400 THR 100 OG1 -0.0004 0.0222 -0.0038 401 THR 100 HG1 0.0016 0.0224 -0.0020 402 THR 100 C -0.0046 0.0140 0.0006 403 THR 100 O -0.0041 0.0122 0.0030 404 GLY 101 N -0.0059 0.0155 -0.0011 405 GLY 101 H -0.0058 0.0150 -0.0019 406 GLY 101 CA -0.0065 0.0144 -0.0009 407 GLY 101 C -0.0067 0.0133 -0.0024 408 GLY 101 O -0.0065 0.0130 -0.0035 409 LEU 102 N -0.0071 0.0126 -0.0024 410 LEU 102 H -0.0072 0.0129 -0.0015 411 LEU 102 CA -0.0073 0.0115 -0.0037 412 LEU 102 CB -0.0065 0.0122 -0.0048 413 LEU 102 CG -0.0065 0.0113 -0.0064 414 LEU 102 CD1 -0.0062 0.0111 -0.0076 415 LEU 102 CD2 -0.0058 0.0121 -0.0071 416 LEU 102 C -0.0082 0.0102 -0.0030 417 LEU 102 O -0.0084 0.0105 -0.0019 418 GLU 103 N -0.0065 0.0079 -0.0045 419 GLU 103 H -0.0063 0.0073 -0.0048 420 GLU 103 CA -0.0068 0.0071 -0.0042 421 GLU 103 CB -0.0074 0.0056 -0.0037 422 GLU 103 CG -0.0078 0.0046 -0.0034 423 GLU 103 CD -0.0085 0.0034 -0.0027 424 GLU 103 OE1 -0.0082 0.0021 -0.0031 425 GLU 103 OE2 -0.0093 0.0036 -0.0019 426 GLU 103 C -0.0058 0.0066 -0.0053 427 GLU 103 O -0.0051 0.0061 -0.0060 428 LEU 104 N -0.0058 0.0068 -0.0053 429 LEU 104 H -0.0063 0.0072 -0.0047 430 LEU 104 CA -0.0049 0.0063 -0.0063 431 LEU 104 CB -0.0043 0.0077 -0.0068 432 LEU 104 CG -0.0032 0.0073 -0.0080 433 LEU 104 CD1 -0.0024 0.0086 -0.0087 434 LEU 104 CD2 -0.0032 0.0069 -0.0080 435 LEU 104 C -0.0054 0.0053 -0.0058 436 LEU 104 O -0.0060 0.0058 -0.0052 437 THR 105 N -0.0056 0.0045 -0.0069 438 THR 105 H -0.0047 0.0035 -0.0073 439 THR 105 CA -0.0066 0.0037 -0.0066 440 THR 105 CB -0.0078 0.0017 -0.0063 441 THR 105 CG2 -0.0089 0.0008 -0.0060 442 THR 105 OG1 -0.0093 0.0022 -0.0057 443 THR 105 HG1 -0.0096 0.0009 -0.0058 444 THR 105 C -0.0051 0.0032 -0.0072 445 THR 105 O -0.0036 0.0023 -0.0079 446 LEU 106 N -0.0055 0.0040 -0.0070 447 LEU 106 H -0.0067 0.0048 -0.0064 448 LEU 106 CA -0.0043 0.0036 -0.0075 449 LEU 106 CB -0.0044 0.0054 -0.0072 450 LEU 106 CG -0.0035 0.0076 -0.0073 451 LEU 106 CD1 -0.0039 0.0092 -0.0070 452 LEU 106 CD2 -0.0013 0.0075 -0.0082 453 LEU 106 C -0.0054 0.0017 -0.0073 454 LEU 106 O -0.0071 0.0017 -0.0066 455 THR 107 N -0.0040 0.0030 -0.0078 456 THR 107 H -0.0013 0.0029 -0.0084 457 THR 107 CA -0.0047 -0.0009 -0.0066 458 THR 107 CB -0.0077 -0.0042 -0.0051 459 THR 107 CG2 -0.0054 -0.0060 -0.0051 460 THR 107 OG1 -0.0087 -0.0079 -0.0039 461 THR 107 HG1 -0.0112 -0.0093 -0.0029 462 THR 107 C -0.0003 -0.0033 -0.0071 463 THR 107 O 0.0034 -0.0025 -0.0081 464 ASN 108 N -0.0005 -0.0061 -0.0063 465 ASN 108 H -0.0035 -0.0065 -0.0054 466 ASN 108 CA 0.0033 -0.0087 -0.0065 467 ASN 108 CB 0.0032 -0.0091 -0.0063 468 ASN 108 CG 0.0040 -0.0044 -0.0077 469 ASN 108 OD1 0.0076 -0.0026 -0.0091 470 ASN 108 ND2 0.0004 -0.0024 -0.0074 471 ASN 108 1HD2 0.0007 0.0006 -0.0083 472 ASN 108 2HD2 -0.0025 -0.0040 -0.0064 473 ASN 108 C 0.0036 -0.0133 -0.0053 474 ASN 108 O 0.0072 -0.0157 -0.0056 475 THR 109 N 0.0012 -0.0150 0.0010 476 THR 109 H -0.0028 -0.0116 0.0029 477 THR 109 CA 0.0005 -0.0196 0.0040 478 THR 109 CB -0.0060 -0.0205 0.0103 479 THR 109 CG2 -0.0067 -0.0256 0.0135 480 THR 109 OG1 -0.0071 -0.0237 0.0129 481 THR 109 HG1 -0.0116 -0.0226 0.0163 482 THR 109 C 0.0017 -0.0160 0.0011 483 THR 109 O -0.0013 -0.0096 0.0006 484 SER 110 N 0.0063 -0.0204 -0.0008 485 SER 110 H 0.0087 -0.0255 -0.0003 486 SER 110 CA 0.0080 -0.0179 -0.0035 487 SER 110 CB 0.0148 -0.0221 -0.0075 488 SER 110 OG 0.0163 -0.0199 -0.0099 489 SER 110 HG 0.0204 -0.0230 -0.0121 490 SER 110 C 0.0037 -0.0193 0.0010 491 SER 110 O 0.0032 -0.0256 0.0046 492 ILE 111 N 0.0087 -0.0081 -0.0028 493 ILE 111 H 0.0085 -0.0067 -0.0043 494 ILE 111 CA 0.0071 -0.0077 -0.0009 495 ILE 111 CB 0.0049 -0.0055 -0.0007 496 ILE 111 CG2 0.0032 -0.0050 0.0011 497 ILE 111 CG1 0.0044 -0.0054 0.0001 498 ILE 111 CD1 0.0024 -0.0031 -0.0000 499 ILE 111 C 0.0076 -0.0079 -0.0013 500 ILE 111 O 0.0075 -0.0092 0.0004 501 ILE 112 N 0.0082 -0.0068 -0.0036 502 ILE 112 H 0.0084 -0.0059 -0.0050 503 ILE 112 CA 0.0087 -0.0068 -0.0042 504 ILE 112 CB 0.0079 -0.0045 -0.0060 505 ILE 112 CG2 0.0083 -0.0045 -0.0066 506 ILE 112 CG1 0.0055 -0.0027 -0.0049 507 ILE 112 CD1 0.0046 -0.0003 -0.0067 508 ILE 112 C 0.0110 -0.0086 -0.0053 509 ILE 112 O 0.0123 -0.0087 -0.0070 510 SER 113 N 0.0095 -0.0038 0.0021 511 SER 113 H 0.0053 -0.0051 0.0065 512 SER 113 CA 0.0175 -0.0064 0.0033 513 SER 113 CB 0.0189 -0.0113 0.0115 514 SER 113 OG 0.0132 -0.0124 0.0160 515 SER 113 HG 0.0143 -0.0155 0.0210 516 SER 113 C 0.0189 -0.0053 0.0007 517 SER 113 O 0.0255 -0.0052 -0.0025 518 HIS 114 N 0.0124 -0.0045 0.0021 519 HIS 114 H 0.0072 -0.0046 0.0047 520 HIS 114 CA 0.0121 -0.0035 0.0004 521 HIS 114 CB 0.0045 -0.0039 0.0046 522 HIS 114 CG 0.0046 -0.0085 0.0128 523 HIS 114 ND1 0.0097 -0.0117 0.0164 524 HIS 114 CE1 0.0079 -0.0153 0.0237 525 HIS 114 NE2 0.0021 -0.0147 0.0251 526 HIS 114 CD2 0.0000 -0.0103 0.0182 527 HIS 114 C 0.0121 0.0010 -0.0076 528 HIS 114 O 0.0109 0.0038 -0.0121 529 LYS 115 N 0.0051 0.0110 -0.0034 530 LYS 115 H 0.0056 0.0098 -0.0007 531 LYS 115 CA 0.0057 0.0110 -0.0013 532 LYS 115 CB 0.0076 0.0140 0.0039 533 LYS 115 CG 0.0085 0.0201 0.0032 534 LYS 115 CD 0.0104 0.0233 0.0083 535 LYS 115 CE 0.0113 0.0294 0.0074 536 LYS 115 NZ 0.0132 0.0322 0.0125 537 LYS 115 HZ1 0.0136 0.0302 0.0154 538 LYS 115 HZ2 0.0135 0.0322 0.0139 539 LYS 115 HZ3 0.0137 0.0362 0.0120 540 LYS 115 C 0.0050 0.0052 -0.0002 541 LYS 115 O 0.0054 0.0045 0.0017 542 PHE 116 N 0.0039 0.0010 -0.0013 543 PHE 116 H 0.0036 0.0017 -0.0028 544 PHE 116 CA 0.0032 -0.0048 -0.0004 545 PHE 116 CB 0.0023 -0.0085 -0.0015 546 PHE 116 CG 0.0035 -0.0081 0.0029 547 PHE 116 CD1 0.0039 -0.0047 0.0021 548 PHE 116 CE1 0.0051 -0.0043 0.0061 549 PHE 116 CZ 0.0059 -0.0073 0.0109 550 PHE 116 CE2 0.0056 -0.0106 0.0117 551 PHE 116 CD2 0.0044 -0.0110 0.0077 552 PHE 116 C 0.0019 -0.0069 -0.0038 553 PHE 116 O 0.0009 -0.0052 -0.0085 554 CYS 117 N 0.0007 0.0001 -0.0015 555 CYS 117 H -0.0002 0.0001 -0.0001 556 CYS 117 CA -0.0008 -0.0011 -0.0038 557 CYS 117 CB -0.0009 -0.0017 -0.0056 558 CYS 117 SG 0.0023 -0.0007 -0.0070 559 CYS 117 C -0.0036 -0.0020 -0.0029 560 CYS 117 O -0.0053 -0.0031 -0.0045 561 ASN 118 N -0.0042 -0.0016 -0.0004 562 ASN 118 H -0.0028 -0.0007 0.0009 563 ASN 118 CA -0.0068 -0.0024 0.0006 564 ASN 118 CB -0.0071 -0.0016 0.0037 565 ASN 118 CG -0.0100 -0.0025 0.0047 566 ASN 118 OD1 -0.0118 -0.0033 0.0045 567 ASN 118 ND2 -0.0104 -0.0024 0.0059 568 ASN 118 1HD2 -0.0122 -0.0029 0.0067 569 ASN 118 2HD2 -0.0089 -0.0017 0.0061 570 ASN 118 C -0.0078 -0.0032 -0.0009 571 ASN 118 O -0.0065 -0.0028 -0.0014 572 LEU 119 N -0.0035 -0.0032 0.0021 573 LEU 119 H -0.0054 -0.0038 0.0027 574 LEU 119 CA -0.0032 -0.0047 0.0007 575 LEU 119 CB -0.0036 -0.0074 -0.0014 576 LEU 119 CG -0.0014 -0.0078 -0.0030 577 LEU 119 CD1 -0.0022 -0.0105 -0.0048 578 LEU 119 CD2 0.0016 -0.0069 -0.0039 579 LEU 119 C -0.0051 -0.0048 0.0017 580 LEU 119 O -0.0046 -0.0056 0.0007 581 SER 120 N -0.0072 -0.0038 0.0037 582 SER 120 H -0.0075 -0.0030 0.0045 583 SER 120 CA -0.0092 -0.0038 0.0049 584 SER 120 CB -0.0115 -0.0028 0.0070 585 SER 120 OG -0.0131 -0.0043 0.0066 586 SER 120 HG -0.0146 -0.0036 0.0080 587 SER 120 C -0.0080 -0.0024 0.0053 588 SER 120 O -0.0087 -0.0034 0.0049 589 ASP 121 N -0.0066 -0.0010 0.0062 590 ASP 121 H -0.0071 -0.0009 0.0062 591 ASP 121 CA -0.0050 0.0007 0.0062 592 ASP 121 CB -0.0047 0.0026 0.0063 593 ASP 121 CG -0.0070 0.0039 0.0068 594 ASP 121 OD1 -0.0078 0.0047 0.0069 595 ASP 121 OD2 -0.0079 0.0041 0.0069 596 ASP 121 C -0.0027 -0.0003 0.0058 597 ASP 121 O -0.0014 0.0005 0.0057 598 ALA 122 N -0.0021 -0.0020 0.0055 599 ALA 122 H -0.0032 -0.0026 0.0056 600 ALA 122 CA -0.0000 -0.0032 0.0051 601 ALA 122 CB 0.0001 -0.0051 0.0049 602 ALA 122 C 0.0002 -0.0044 0.0050 603 ALA 122 O 0.0019 -0.0043 0.0048 604 HIS 123 N -0.0008 -0.0025 0.0077 605 HIS 123 H -0.0018 -0.0025 0.0078 606 HIS 123 CA -0.0000 -0.0031 0.0080 607 HIS 123 CB -0.0009 -0.0036 0.0084 608 HIS 123 CG -0.0002 -0.0044 0.0089 609 HIS 123 ND1 0.0003 -0.0041 0.0087 610 HIS 123 CE1 0.0008 -0.0051 0.0092 611 HIS 123 NE2 0.0007 -0.0059 0.0098 612 HIS 123 CD2 0.0001 -0.0055 0.0096 613 HIS 123 C 0.0009 -0.0023 0.0074 614 HIS 123 O 0.0020 -0.0027 0.0076 615 LYS 124 N 0.0004 -0.0013 0.0068 616 LYS 124 H -0.0005 -0.0010 0.0067 617 LYS 124 CA 0.0012 -0.0004 0.0062 618 LYS 124 CB 0.0004 0.0007 0.0055 619 LYS 124 CG -0.0008 0.0007 0.0056 620 LYS 124 CD -0.0015 0.0018 0.0050 621 LYS 124 CE -0.0027 0.0019 0.0050 622 LYS 124 NZ -0.0033 0.0030 0.0044 623 LYS 124 HZ1 -0.0039 0.0031 0.0044 624 LYS 124 HZ2 -0.0026 0.0036 0.0039 625 LYS 124 HZ3 -0.0039 0.0031 0.0043 626 LYS 124 C 0.0024 -0.0002 0.0059 627 LYS 124 O 0.0034 0.0001 0.0057 628 LYS 125 N 0.0009 -0.0033 0.0079 629 LYS 125 H 0.0007 -0.0030 0.0082 630 LYS 125 CA -0.0003 -0.0035 0.0078 631 LYS 125 CB -0.0016 -0.0034 0.0080 632 LYS 125 CG -0.0018 -0.0042 0.0074 633 LYS 125 CD -0.0022 -0.0053 0.0065 634 LYS 125 CE -0.0025 -0.0061 0.0059 635 LYS 125 NZ -0.0028 -0.0071 0.0051 636 LYS 125 HZ1 -0.0031 -0.0076 0.0048 637 LYS 125 HZ2 -0.0035 -0.0071 0.0052 638 LYS 125 HZ3 -0.0019 -0.0074 0.0049 639 LYS 125 C -0.0004 -0.0028 0.0084 640 LYS 125 O -0.0002 -0.0018 0.0092 641 ASN 126 N -0.0007 -0.0032 0.0081 642 ASN 126 H -0.0009 -0.0040 0.0075 643 ASN 126 CA -0.0009 -0.0026 0.0086 644 ASN 126 CB -0.0011 -0.0033 0.0080 645 ASN 126 CG 0.0002 -0.0039 0.0075 646 ASN 126 OD1 0.0013 -0.0035 0.0077 647 ASN 126 ND2 -0.0000 -0.0048 0.0068 648 ASN 126 1HD2 0.0007 -0.0052 0.0065 649 ASN 126 2HD2 -0.0010 -0.0050 0.0067 650 ASN 126 C -0.0020 -0.0019 0.0092 651 ASN 126 O -0.0020 -0.0010 0.0098 652 LEU 127 N -0.0006 -0.0029 0.0062 653 LEU 127 H -0.0004 -0.0036 0.0062 654 LEU 127 CA -0.0011 -0.0026 0.0063 655 LEU 127 CB -0.0013 -0.0035 0.0065 656 LEU 127 CG -0.0020 -0.0042 0.0069 657 LEU 127 CD1 -0.0021 -0.0051 0.0071 658 LEU 127 CD2 -0.0030 -0.0036 0.0072 659 LEU 127 C -0.0006 -0.0019 0.0060 660 LEU 127 O -0.0010 -0.0015 0.0061 661 TYR 128 N 0.0003 -0.0018 0.0056 662 TYR 128 H 0.0006 -0.0021 0.0055 663 TYR 128 CA 0.0009 -0.0012 0.0053 664 TYR 128 CB 0.0019 -0.0013 0.0049 665 TYR 128 CG 0.0027 -0.0008 0.0045 666 TYR 128 CD1 0.0031 -0.0011 0.0045 667 TYR 128 CE1 0.0038 -0.0006 0.0041 668 TYR 128 CZ 0.0042 0.0002 0.0038 669 TYR 128 OH 0.0049 0.0006 0.0035 670 TYR 128 HH 0.0051 0.0003 0.0035 671 TYR 128 CE2 0.0038 0.0005 0.0039 672 TYR 128 CD2 0.0030 0.0000 0.0043 673 TYR 128 C 0.0005 -0.0001 0.0052 674 TYR 128 O 0.0003 0.0003 0.0052 675 ASP 129 N 0.0046 0.0051 0.0014 676 ASP 129 H 0.0048 0.0062 0.0015 677 ASP 129 CA 0.0041 0.0054 0.0005 678 ASP 129 CB 0.0033 0.0067 -0.0010 679 ASP 129 CG 0.0027 0.0068 -0.0020 680 ASP 129 OD1 0.0027 0.0057 -0.0017 681 ASP 129 OD2 0.0021 0.0080 -0.0031 682 ASP 129 C 0.0049 0.0062 0.0016 683 ASP 129 O 0.0055 0.0077 0.0021 684 HIS 130 N 0.0048 0.0050 0.0018 685 HIS 130 H 0.0043 0.0039 0.0013 686 HIS 130 CA 0.0055 0.0054 0.0027 687 HIS 130 CB 0.0055 0.0038 0.0032 688 HIS 130 CG 0.0060 0.0024 0.0043 689 HIS 130 ND1 0.0071 0.0027 0.0059 690 HIS 130 CE1 0.0072 0.0012 0.0065 691 HIS 130 NE2 0.0064 -0.0001 0.0055 692 HIS 130 CD2 0.0056 0.0007 0.0041 693 HIS 130 C 0.0052 0.0069 0.0019 694 HIS 130 O 0.0059 0.0079 0.0027 695 THR 131 N 0.0080 0.0071 0.0002 696 THR 131 H 0.0077 0.0064 -0.0007 697 THR 131 CA 0.0071 0.0083 0.0012 698 THR 131 CB 0.0059 0.0082 0.0005 699 THR 131 CG2 0.0048 0.0094 0.0015 700 THR 131 OG1 0.0068 0.0074 0.0001 701 THR 131 HG1 0.0060 0.0071 -0.0006 702 THR 131 C 0.0060 0.0091 0.0016 703 THR 131 O 0.0062 0.0102 0.0028 704 LEU 132 N 0.0050 0.0086 0.0006 705 LEU 132 H 0.0049 0.0077 -0.0004 706 LEU 132 CA 0.0039 0.0092 0.0009 707 LEU 132 CB 0.0025 0.0086 -0.0003 708 LEU 132 CG 0.0011 0.0087 -0.0008 709 LEU 132 CD1 -0.0002 0.0080 -0.0021 710 LEU 132 CD2 0.0002 0.0101 0.0003 711 LEU 132 C 0.0049 0.0094 0.0014 712 LEU 132 O 0.0046 0.0104 0.0024 713 MET 133 N 0.0079 0.0061 -0.0004 714 MET 133 H 0.0083 0.0064 -0.0006 715 MET 133 CA 0.0077 0.0061 -0.0009 716 MET 133 CB 0.0080 0.0064 -0.0019 717 MET 133 CG 0.0076 0.0062 -0.0026 718 MET 133 SD 0.0065 0.0055 -0.0027 719 MET 133 CE 0.0065 0.0056 -0.0033 720 MET 133 C 0.0078 0.0061 -0.0004 721 MET 133 O 0.0074 0.0058 -0.0005 722 SER 134 N 0.0085 0.0064 0.0003 723 SER 134 H 0.0088 0.0067 0.0004 724 SER 134 CA 0.0086 0.0065 0.0008 725 SER 134 CB 0.0094 0.0069 0.0015 726 SER 134 OG 0.0101 0.0074 0.0009 727 SER 134 HG 0.0105 0.0077 0.0013 728 SER 134 C 0.0080 0.0060 0.0015 729 SER 134 O 0.0077 0.0058 0.0016 730 ILE 135 N 0.0080 0.0039 -0.0002 731 ILE 135 H 0.0081 0.0039 -0.0006 732 ILE 135 CA 0.0070 0.0039 0.0006 733 ILE 135 CB 0.0064 0.0038 0.0007 734 ILE 135 CG2 0.0053 0.0037 0.0014 735 ILE 135 CG1 0.0071 0.0041 0.0013 736 ILE 135 CD1 0.0067 0.0040 0.0012 737 ILE 135 C 0.0063 0.0036 0.0001 738 ILE 135 O 0.0059 0.0037 0.0008 739 ILE 136 N 0.0061 0.0033 -0.0010 740 ILE 136 H 0.0065 0.0033 -0.0014 741 ILE 136 CA 0.0054 0.0031 -0.0015 742 ILE 136 CB 0.0052 0.0027 -0.0027 743 ILE 136 CG2 0.0045 0.0024 -0.0033 744 ILE 136 CG1 0.0045 0.0026 -0.0025 745 ILE 136 CD1 0.0044 0.0024 -0.0036 746 ILE 136 C 0.0058 0.0032 -0.0015 747 ILE 136 O 0.0052 0.0031 -0.0013 748 SER 137 N 0.0064 0.0022 -0.0005 749 SER 137 H 0.0076 0.0030 -0.0004 750 SER 137 CA 0.0048 0.0020 -0.0011 751 SER 137 CB 0.0051 0.0033 -0.0014 752 SER 137 OG 0.0054 0.0052 -0.0021 753 SER 137 HG 0.0062 0.0059 -0.0020 754 SER 137 C 0.0043 -0.0000 -0.0005 755 SER 137 O 0.0026 -0.0007 -0.0009 756 THR 138 N 0.0057 -0.0010 0.0004 757 THR 138 H 0.0071 -0.0004 0.0007 758 THR 138 CA 0.0055 -0.0030 0.0010 759 THR 138 CB 0.0073 -0.0036 0.0020 760 THR 138 CG2 0.0069 -0.0057 0.0026 761 THR 138 OG1 0.0080 -0.0025 0.0018 762 THR 138 HG1 0.0085 -0.0013 0.0016 763 THR 138 C 0.0046 -0.0042 0.0012 764 THR 138 O 0.0033 -0.0055 0.0011 765 PHE 139 N 0.0074 -0.0035 -0.0006 766 PHE 139 H 0.0080 -0.0033 -0.0014 767 PHE 139 CA 0.0063 -0.0030 -0.0005 768 PHE 139 CB 0.0063 -0.0024 -0.0016 769 PHE 139 CG 0.0052 -0.0019 -0.0016 770 PHE 139 CD1 0.0050 -0.0021 -0.0009 771 PHE 139 CE1 0.0039 -0.0016 -0.0009 772 PHE 139 CZ 0.0030 -0.0009 -0.0015 773 PHE 139 CE2 0.0032 -0.0006 -0.0022 774 PHE 139 CD2 0.0043 -0.0011 -0.0022 775 PHE 139 C 0.0052 -0.0026 -0.0003 776 PHE 139 O 0.0044 -0.0025 0.0005 777 HIS 140 N 0.0053 -0.0022 -0.0010 778 HIS 140 H 0.0061 -0.0023 -0.0016 779 HIS 140 CA 0.0044 -0.0018 -0.0009 780 HIS 140 CB 0.0046 -0.0013 -0.0020 781 HIS 140 CG 0.0035 -0.0008 -0.0021 782 HIS 140 ND1 0.0024 -0.0001 -0.0023 783 HIS 140 CE1 0.0016 0.0003 -0.0023 784 HIS 140 NE2 0.0021 -0.0001 -0.0021 785 HIS 140 CD2 0.0032 -0.0007 -0.0019 786 HIS 140 C 0.0041 -0.0023 0.0002 787 HIS 140 O 0.0031 -0.0021 0.0008 788 LEU 141 N 0.0018 -0.0038 0.0028 789 LEU 141 H 0.0036 -0.0036 0.0024 790 LEU 141 CA 0.0008 -0.0050 0.0039 791 LEU 141 CB 0.0025 -0.0058 0.0042 792 LEU 141 CG 0.0031 -0.0043 0.0030 793 LEU 141 CD1 0.0051 -0.0051 0.0033 794 LEU 141 CD2 0.0008 -0.0034 0.0027 795 LEU 141 C 0.0000 -0.0068 0.0053 796 LEU 141 O -0.0019 -0.0075 0.0061 797 SER 142 N 0.0014 -0.0075 0.0057 798 SER 142 H 0.0029 -0.0070 0.0051 799 SER 142 CA 0.0009 -0.0091 0.0070 800 SER 142 CB 0.0031 -0.0101 0.0075 801 SER 142 OG 0.0041 -0.0089 0.0063 802 SER 142 HG 0.0051 -0.0081 0.0056 803 SER 142 C -0.0013 -0.0088 0.0070 804 SER 142 O -0.0021 -0.0102 0.0082 805 ILE 143 N 0.0002 -0.0090 0.0058 806 ILE 143 H 0.0008 -0.0082 0.0049 807 ILE 143 CA -0.0017 -0.0073 0.0062 808 ILE 143 CB -0.0021 -0.0044 0.0047 809 ILE 143 CG2 -0.0043 -0.0027 0.0053 810 ILE 143 CG1 0.0003 -0.0037 0.0025 811 ILE 143 CD1 0.0004 -0.0010 0.0008 812 ILE 143 C -0.0040 -0.0079 0.0083 813 ILE 143 O -0.0046 -0.0077 0.0086 814 PRO 144 N -0.0053 -0.0088 0.0098 815 PRO 144 CA -0.0075 -0.0095 0.0119 816 PRO 144 CB -0.0080 -0.0109 0.0131 817 PRO 144 CG -0.0067 -0.0098 0.0115 818 PRO 144 CD -0.0046 -0.0091 0.0095 819 PRO 144 C -0.0096 -0.0071 0.0121 820 PRO 144 O -0.0098 -0.0050 0.0109 821 ASN 145 N -0.0189 -0.0143 0.0153 822 ASN 145 H -0.0180 -0.0170 0.0170 823 ASN 145 CA -0.0198 -0.0123 0.0178 824 ASN 145 CB -0.0218 -0.0071 0.0184 825 ASN 145 CG -0.0224 -0.0060 0.0214 826 ASN 145 OD1 -0.0221 -0.0073 0.0255 827 ASN 145 ND2 -0.0233 -0.0035 0.0192 828 ASN 145 1HD2 -0.0237 -0.0027 0.0209 829 ASN 145 2HD2 -0.0235 -0.0025 0.0158 830 ASN 145 C -0.0193 -0.0133 0.0155 831 ASN 145 O -0.0184 -0.0151 0.0116 832 PHE 146 N -0.0199 -0.0122 0.0179 833 PHE 146 H -0.0206 -0.0107 0.0211 834 PHE 146 CA -0.0195 -0.0130 0.0161 835 PHE 146 CB -0.0196 -0.0130 0.0202 836 PHE 146 CG -0.0190 -0.0145 0.0185 837 PHE 146 CD1 -0.0172 -0.0189 0.0174 838 PHE 146 CE1 -0.0166 -0.0204 0.0159 839 PHE 146 CZ -0.0177 -0.0174 0.0154 840 PHE 146 CE2 -0.0195 -0.0129 0.0165 841 PHE 146 CD2 -0.0201 -0.0115 0.0181 842 PHE 146 C -0.0206 -0.0095 0.0124 843 PHE 146 O -0.0222 -0.0055 0.0132 844 ASN 147 N -0.0102 -0.0060 -0.0013 845 ASN 147 H -0.0093 -0.0058 -0.0013 846 ASN 147 CA -0.0096 -0.0050 -0.0018 847 ASN 147 CB -0.0073 -0.0045 -0.0019 848 ASN 147 CG -0.0060 -0.0061 -0.0009 849 ASN 147 OD1 -0.0060 -0.0071 -0.0003 850 ASN 147 ND2 -0.0047 -0.0064 -0.0006 851 ASN 147 1HD2 -0.0038 -0.0074 0.0000 852 ASN 147 2HD2 -0.0047 -0.0055 -0.0011 853 ASN 147 C -0.0107 -0.0034 -0.0028 854 ASN 147 O -0.0112 -0.0024 -0.0034 855 GLN 148 N -0.0113 -0.0031 -0.0030 856 GLN 148 H -0.0109 -0.0039 -0.0025 857 GLN 148 CA -0.0124 -0.0016 -0.0040 858 GLN 148 CB -0.0132 -0.0018 -0.0039 859 GLN 148 CG -0.0146 -0.0004 -0.0048 860 GLN 148 CD -0.0155 -0.0010 -0.0046 861 GLN 148 OE1 -0.0152 -0.0025 -0.0037 862 GLN 148 NE2 -0.0166 0.0002 -0.0054 863 GLN 148 1HE2 -0.0173 -0.0001 -0.0052 864 GLN 148 2HE2 -0.0169 0.0014 -0.0060 865 GLN 148 C -0.0110 0.0001 -0.0048 866 GLN 148 O -0.0092 0.0001 -0.0047 867 TYR 149 N -0.0094 -0.0051 -0.0122 868 TYR 149 H -0.0142 -0.0054 -0.0138 869 TYR 149 CA -0.0056 0.0015 -0.0138 870 TYR 149 CB -0.0092 0.0070 -0.0175 871 TYR 149 CG -0.0081 0.0070 -0.0171 872 TYR 149 CD1 -0.0133 0.0044 -0.0178 873 TYR 149 CE1 -0.0121 0.0045 -0.0174 874 TYR 149 CZ -0.0057 0.0071 -0.0163 875 TYR 149 OH -0.0046 0.0072 -0.0159 876 TYR 149 HH -0.0086 0.0049 -0.0163 877 TYR 149 CE2 -0.0005 0.0098 -0.0156 878 TYR 149 CD2 -0.0017 0.0097 -0.0160 879 TYR 149 C -0.0037 0.0036 -0.0140 880 TYR 149 O 0.0017 0.0073 -0.0137 881 GLU 150 N -0.0081 0.0013 -0.0146 882 GLU 150 H -0.0125 -0.0016 -0.0149 883 GLU 150 CA -0.0070 0.0027 -0.0148 884 GLU 150 CB -0.0133 0.0004 -0.0161 885 GLU 150 CG -0.0193 0.0043 -0.0200 886 GLU 150 CD -0.0251 0.0018 -0.0209 887 GLU 150 OE1 -0.0277 -0.0043 -0.0192 888 GLU 150 OE2 -0.0269 0.0059 -0.0234 889 GLU 150 C -0.0013 -0.0008 -0.0112 890 GLU 150 O 0.0024 0.0018 -0.0110 891 ALA 151 N 0.0001 0.0020 -0.0107 892 ALA 151 H -0.0012 0.0012 -0.0108 893 ALA 151 CA 0.0020 0.0008 -0.0108 894 ALA 151 CB 0.0016 -0.0017 -0.0110 895 ALA 151 C 0.0036 0.0012 -0.0107 896 ALA 151 O 0.0055 0.0013 -0.0106 897 MET 152 N 0.0027 0.0013 -0.0107 898 MET 152 H 0.0012 0.0012 -0.0108 899 MET 152 CA 0.0040 0.0018 -0.0106 900 MET 152 CB 0.0030 0.0009 -0.0107 901 MET 152 CG 0.0043 0.0013 -0.0107 902 MET 152 SD 0.0032 0.0001 -0.0108 903 MET 152 CE 0.0050 0.0014 -0.0106 904 MET 152 C 0.0043 0.0041 -0.0104 905 MET 152 O 0.0028 0.0054 -0.0104 906 SER 153 N 0.0086 0.0011 -0.0120 907 SER 153 H 0.0085 0.0014 -0.0128 908 SER 153 CA 0.0082 0.0007 -0.0104 909 SER 153 CB 0.0097 0.0005 -0.0095 910 SER 153 OG 0.0100 0.0008 -0.0103 911 SER 153 HG 0.0110 0.0007 -0.0098 912 SER 153 C 0.0067 0.0006 -0.0104 913 SER 153 O 0.0064 0.0009 -0.0115 914 CYS 154 N 0.0055 0.0002 -0.0092 915 CYS 154 H 0.0057 -0.0000 -0.0083 916 CYS 154 CA 0.0040 0.0001 -0.0092 917 CYS 154 CB 0.0025 0.0003 -0.0102 918 CYS 154 SG 0.0017 0.0000 -0.0093 919 CYS 154 C 0.0034 -0.0004 -0.0076 920 CYS 154 O 0.0035 -0.0007 -0.0064 921 ASP 155 N 0.0048 -0.0009 -0.0012 922 ASP 155 H 0.0048 -0.0006 -0.0022 923 ASP 155 CA 0.0041 -0.0013 0.0000 924 ASP 155 CB 0.0046 -0.0014 0.0004 925 ASP 155 CG 0.0063 -0.0015 0.0011 926 ASP 155 OD1 0.0070 -0.0016 0.0016 927 ASP 155 OD2 0.0069 -0.0015 0.0012 928 ASP 155 C 0.0024 -0.0013 -0.0004 929 ASP 155 O 0.0019 -0.0009 -0.0018 930 PHE 156 N 0.0013 -0.0017 0.0007 931 PHE 156 H 0.0018 -0.0020 0.0017 932 PHE 156 CA -0.0004 -0.0018 0.0005 933 PHE 156 CB -0.0008 -0.0018 0.0004 934 PHE 156 CG -0.0001 -0.0022 0.0018 935 PHE 156 CD1 -0.0010 -0.0027 0.0031 936 PHE 156 CE1 -0.0004 -0.0031 0.0043 937 PHE 156 CZ 0.0012 -0.0029 0.0042 938 PHE 156 CE2 0.0021 -0.0024 0.0029 939 PHE 156 CD2 0.0014 -0.0021 0.0017 940 PHE 156 C -0.0013 -0.0023 0.0017 941 PHE 156 O -0.0028 -0.0024 0.0016 942 ASN 157 N 0.0007 -0.0062 0.0054 943 ASN 157 H 0.0015 -0.0069 0.0053 944 ASN 157 CA -0.0015 -0.0092 0.0063 945 ASN 157 CB -0.0022 -0.0129 0.0068 946 ASN 157 CG -0.0042 -0.0162 0.0076 947 ASN 157 OD1 -0.0027 -0.0178 0.0073 948 ASN 157 ND2 -0.0078 -0.0172 0.0086 949 ASN 157 1HD2 -0.0092 -0.0193 0.0092 950 ASN 157 2HD2 -0.0089 -0.0158 0.0088 951 ASN 157 C -0.0053 -0.0077 0.0071 952 ASN 157 O -0.0078 -0.0061 0.0077 953 GLY 158 N -0.0056 -0.0082 0.0073 954 GLY 158 H -0.0035 -0.0095 0.0068 955 GLY 158 CA -0.0090 -0.0071 0.0080 956 GLY 158 C -0.0097 -0.0027 0.0079 957 GLY 158 O -0.0130 -0.0014 0.0086 958 GLY 159 N -0.0049 -0.0033 0.0028 959 GLY 159 H -0.0035 -0.0034 0.0034 960 GLY 159 CA -0.0053 -0.0017 0.0019 961 GLY 159 C -0.0055 0.0000 0.0011 962 GLY 159 O -0.0059 0.0015 0.0002 963 LYS 160 N -0.0051 -0.0001 0.0013 964 LYS 160 H -0.0048 -0.0012 0.0019 965 LYS 160 CA -0.0052 0.0016 0.0004 966 LYS 160 CB -0.0057 0.0013 0.0004 967 LYS 160 CG -0.0059 0.0033 -0.0006 968 LYS 160 CD -0.0064 0.0033 -0.0008 969 LYS 160 CE -0.0065 0.0054 -0.0018 970 LYS 160 NZ -0.0070 0.0055 -0.0021 971 LYS 160 HZ1 -0.0084 0.0047 -0.0023 972 LYS 160 HZ2 -0.0060 0.0049 -0.0014 973 LYS 160 HZ3 -0.0070 0.0069 -0.0027 974 LYS 160 C -0.0033 0.0028 0.0007 975 LYS 160 O -0.0018 0.0023 0.0015 976 ILE 161 N -0.0022 0.0052 -0.0041 977 ILE 161 H -0.0030 0.0061 -0.0037 978 ILE 161 CA -0.0009 0.0058 -0.0048 979 ILE 161 CB -0.0009 0.0076 -0.0051 980 ILE 161 CG2 0.0006 0.0081 -0.0060 981 ILE 161 CG1 -0.0008 0.0081 -0.0052 982 ILE 161 CD1 -0.0011 0.0099 -0.0053 983 ILE 161 C -0.0010 0.0054 -0.0047 984 ILE 161 O -0.0021 0.0059 -0.0042 985 SER 162 N 0.0001 0.0045 -0.0052 986 SER 162 H 0.0009 0.0040 -0.0056 987 SER 162 CA 0.0002 0.0040 -0.0052 988 SER 162 CB -0.0002 0.0022 -0.0048 989 SER 162 OG -0.0017 0.0020 -0.0039 990 SER 162 HG -0.0019 0.0009 -0.0037 991 SER 162 C 0.0018 0.0042 -0.0061 992 SER 162 O 0.0028 0.0033 -0.0065 993 VAL 163 N 0.0028 0.0027 -0.0092 994 VAL 163 H 0.0021 0.0033 -0.0092 995 VAL 163 CA 0.0042 0.0029 -0.0104 996 VAL 163 CB 0.0040 0.0044 -0.0116 997 VAL 163 CG1 0.0056 0.0045 -0.0129 998 VAL 163 CG2 0.0029 0.0050 -0.0113 999 VAL 163 C 0.0052 0.0024 -0.0108 1000 VAL 163 O 0.0047 0.0031 -0.0109 1001 GLN 164 N 0.0066 0.0013 -0.0109 1002 GLN 164 H 0.0070 0.0008 -0.0107 1003 GLN 164 CA 0.0077 0.0007 -0.0112 1004 GLN 164 CB 0.0083 -0.0010 -0.0102 1005 GLN 164 CG 0.0095 -0.0018 -0.0104 1006 GLN 164 CD 0.0102 -0.0034 -0.0095 1007 GLN 164 OE1 0.0112 -0.0039 -0.0098 1008 GLN 164 NE2 0.0097 -0.0043 -0.0084 1009 GLN 164 1HE2 0.0102 -0.0054 -0.0077 1010 GLN 164 2HE2 0.0090 -0.0038 -0.0082 1011 GLN 164 C 0.0091 0.0012 -0.0126 1012 GLN 164 O 0.0097 0.0010 -0.0130 1013 TYR 165 N 0.0058 0.0007 -0.0083 1014 TYR 165 H 0.0056 0.0007 -0.0081 1015 TYR 165 CA 0.0064 0.0008 -0.0092 1016 TYR 165 CB 0.0062 0.0015 -0.0100 1017 TYR 165 CG 0.0054 0.0022 -0.0102 1018 TYR 165 CD1 0.0045 0.0026 -0.0098 1019 TYR 165 CE1 0.0038 0.0032 -0.0100 1020 TYR 165 CZ 0.0039 0.0035 -0.0106 1021 TYR 165 OH 0.0032 0.0041 -0.0108 1022 TYR 165 HH 0.0034 0.0043 -0.0112 1023 TYR 165 CE2 0.0048 0.0031 -0.0110 1024 TYR 165 CD2 0.0056 0.0025 -0.0108 1025 TYR 165 C 0.0073 0.0002 -0.0092 1026 TYR 165 O 0.0072 0.0001 -0.0090 1027 ASN 166 N 0.0080 -0.0003 -0.0093 1028 ASN 166 H 0.0080 -0.0002 -0.0094 1029 ASN 166 CA 0.0089 -0.0009 -0.0093 1030 ASN 166 CB 0.0095 -0.0015 -0.0092 1031 ASN 166 CG 0.0104 -0.0022 -0.0091 1032 ASN 166 OD1 0.0110 -0.0022 -0.0097 1033 ASN 166 ND2 0.0106 -0.0028 -0.0083 1034 ASN 166 1HD2 0.0111 -0.0033 -0.0082 1035 ASN 166 2HD2 0.0101 -0.0028 -0.0077 1036 ASN 166 C 0.0093 -0.0005 -0.0103 1037 ASN 166 O 0.0094 -0.0002 -0.0110 1038 LEU 167 N 0.0053 0.0014 -0.0026 1039 LEU 167 H 0.0047 0.0008 -0.0019 1040 LEU 167 CA 0.0055 0.0019 -0.0029 1041 LEU 167 CB 0.0047 0.0026 -0.0019 1042 LEU 167 CG 0.0042 0.0039 -0.0013 1043 LEU 167 CD1 0.0033 0.0043 -0.0003 1044 LEU 167 CD2 0.0048 0.0051 -0.0021 1045 LEU 167 C 0.0060 0.0009 -0.0034 1046 LEU 167 O 0.0064 0.0013 -0.0039 1047 SER 168 N 0.0060 -0.0006 -0.0033 1048 SER 168 H 0.0057 -0.0009 -0.0030 1049 SER 168 CA 0.0064 -0.0016 -0.0038 1050 SER 168 CB 0.0060 -0.0031 -0.0033 1051 SER 168 OG 0.0050 -0.0031 -0.0021 1052 SER 168 HG 0.0048 -0.0041 -0.0018 1053 SER 168 C 0.0074 -0.0017 -0.0050 1054 SER 168 O 0.0078 -0.0022 -0.0054 1055 HIS 169 N -0.0134 -0.0090 0.0061 1056 HIS 169 H -0.0133 -0.0086 0.0050 1057 HIS 169 CA -0.0126 -0.0091 0.0061 1058 HIS 169 CB -0.0140 -0.0089 0.0056 1059 HIS 169 CG -0.0134 -0.0089 0.0058 1060 HIS 169 ND1 -0.0124 -0.0084 0.0046 1061 HIS 169 CE1 -0.0121 -0.0087 0.0052 1062 HIS 169 NE2 -0.0127 -0.0093 0.0067 1063 HIS 169 CD2 -0.0136 -0.0095 0.0070 1064 HIS 169 C -0.0111 -0.0085 0.0049 1065 HIS 169 O -0.0114 -0.0079 0.0034 1066 ALA 170 N -0.0094 -0.0088 0.0055 1067 ALA 170 H -0.0092 -0.0093 0.0067 1068 ALA 170 CA -0.0078 -0.0084 0.0045 1069 ALA 170 CB -0.0070 -0.0083 0.0043 1070 ALA 170 C -0.0063 -0.0086 0.0051 1071 ALA 170 O -0.0050 -0.0083 0.0042 1072 TYR 171 N -0.0042 -0.0126 0.0100 1073 TYR 171 H -0.0068 -0.0158 0.0098 1074 TYR 171 CA -0.0003 -0.0126 0.0145 1075 TYR 171 CB -0.0009 -0.0176 0.0180 1076 TYR 171 CG -0.0025 -0.0187 0.0171 1077 TYR 171 CD1 -0.0068 -0.0219 0.0150 1078 TYR 171 CE1 -0.0083 -0.0231 0.0142 1079 TYR 171 CZ -0.0056 -0.0210 0.0155 1080 TYR 171 OH -0.0072 -0.0221 0.0146 1081 TYR 171 HH -0.0102 -0.0244 0.0132 1082 TYR 171 CE2 -0.0014 -0.0177 0.0175 1083 TYR 171 CD2 0.0002 -0.0166 0.0184 1084 TYR 171 C 0.0024 -0.0113 0.0164 1085 TYR 171 O 0.0061 -0.0083 0.0181 1086 ALA 172 N 0.0005 -0.0135 0.0161 1087 ALA 172 H -0.0026 -0.0159 0.0146 1088 ALA 172 CA 0.0028 -0.0125 0.0179 1089 ALA 172 CB 0.0005 -0.0166 0.0187 1090 ALA 172 C 0.0037 -0.0078 0.0149 1091 ALA 172 O 0.0073 -0.0050 0.0166 1092 VAL 173 N -0.0042 -0.0031 0.0066 1093 VAL 173 H -0.0067 -0.0027 0.0088 1094 VAL 173 CA -0.0031 -0.0022 0.0023 1095 VAL 173 CB -0.0066 0.0003 -0.0012 1096 VAL 173 CG1 -0.0113 0.0017 0.0005 1097 VAL 173 CG2 -0.0046 0.0010 -0.0063 1098 VAL 173 C -0.0027 -0.0027 0.0033 1099 VAL 173 O -0.0043 -0.0032 0.0072 1100 ASP 174 N -0.0004 -0.0027 -0.0000 1101 ASP 174 H 0.0009 -0.0023 -0.0031 1102 ASP 174 CA 0.0002 -0.0031 0.0005 1103 ASP 174 CB 0.0036 -0.0034 -0.0033 1104 ASP 174 CG 0.0047 -0.0041 -0.0025 1105 ASP 174 OD1 0.0077 -0.0045 -0.0055 1106 ASP 174 OD2 0.0028 -0.0044 0.0009 1107 ASP 174 C -0.0044 -0.0011 0.0004 1108 ASP 174 O -0.0065 0.0008 -0.0031 1109 ALA 175 N -0.0044 0.0000 0.0018 1110 ALA 175 H -0.0026 -0.0013 0.0044 1111 ALA 175 CA -0.0067 0.0027 0.0039 1112 ALA 175 CB -0.0061 0.0034 0.0097 1113 ALA 175 C -0.0060 0.0017 0.0021 1114 ALA 175 O -0.0087 0.0042 0.0014 1115 ALA 176 N -0.0026 -0.0019 0.0014 1116 ALA 176 H -0.0005 -0.0038 0.0020 1117 ALA 176 CA -0.0016 -0.0032 -0.0002 1118 ALA 176 CB 0.0026 -0.0073 0.0006 1119 ALA 176 C -0.0030 -0.0030 -0.0057 1120 ALA 176 O -0.0045 -0.0018 -0.0069 1121 GLU 177 N 0.0027 -0.0049 -0.0064 1122 GLU 177 H 0.0037 -0.0046 -0.0046 1123 GLU 177 CA 0.0005 -0.0062 -0.0114 1124 GLU 177 CB 0.0016 -0.0080 -0.0136 1125 GLU 177 CG 0.0068 -0.0112 -0.0139 1126 GLU 177 CD 0.0084 -0.0137 -0.0170 1127 GLU 177 OE1 0.0061 -0.0146 -0.0214 1128 GLU 177 OE2 0.0119 -0.0148 -0.0151 1129 GLU 177 C -0.0048 -0.0038 -0.0126 1130 GLU 177 O -0.0068 -0.0044 -0.0161 1131 HIS 178 N -0.0072 -0.0009 -0.0097 1132 HIS 178 H -0.0056 -0.0004 -0.0068 1133 HIS 178 CA -0.0123 0.0016 -0.0105 1134 HIS 178 CB -0.0141 0.0040 -0.0079 1135 HIS 178 CG -0.0192 0.0062 -0.0093 1136 HIS 178 ND1 -0.0228 0.0092 -0.0076 1137 HIS 178 CE1 -0.0268 0.0105 -0.0097 1138 HIS 178 NE2 -0.0261 0.0086 -0.0126 1139 HIS 178 CD2 -0.0213 0.0059 -0.0124 1140 HIS 178 C -0.0140 0.0033 -0.0092 1141 HIS 178 O -0.0119 0.0039 -0.0056 1142 CYS 179 N -0.0089 0.0057 -0.0042 1143 CYS 179 H -0.0102 0.0052 -0.0054 1144 CYS 179 CA -0.0110 0.0054 -0.0049 1145 CYS 179 CB -0.0118 0.0035 -0.0092 1146 CYS 179 SG -0.0071 0.0021 -0.0121 1147 CYS 179 C -0.0151 0.0064 -0.0029 1148 CYS 179 O -0.0167 0.0065 -0.0028 1149 GLY 180 N -0.0168 0.0073 -0.0012 1150 GLY 180 H -0.0154 0.0072 -0.0012 1151 GLY 180 CA -0.0207 0.0083 0.0008 1152 GLY 180 C -0.0204 0.0101 0.0050 1153 GLY 180 O -0.0235 0.0111 0.0070 1154 THR 181 N -0.0137 0.0102 0.0073 1155 THR 181 H -0.0141 0.0109 0.0072 1156 THR 181 CA -0.0137 0.0106 0.0059 1157 THR 181 CB -0.0145 0.0121 0.0047 1158 THR 181 CG2 -0.0155 0.0135 0.0059 1159 THR 181 OG1 -0.0143 0.0120 0.0037 1160 THR 181 HG1 -0.0148 0.0130 0.0029 1161 THR 181 C -0.0127 0.0092 0.0046 1162 THR 181 O -0.0121 0.0083 0.0045 1163 VAL 182 N -0.0126 0.0092 0.0037 1164 VAL 182 H -0.0131 0.0100 0.0038 1165 VAL 182 CA -0.0117 0.0080 0.0024 1166 VAL 182 CB -0.0118 0.0082 0.0016 1167 VAL 182 CG1 -0.0109 0.0071 0.0001 1168 VAL 182 CG2 -0.0118 0.0079 0.0033 1169 VAL 182 C -0.0116 0.0082 0.0008 1170 VAL 182 O -0.0108 0.0070 0.0002 1171 ALA 183 N -0.0048 0.0110 0.0036 1172 ALA 183 H -0.0051 0.0114 0.0038 1173 ALA 183 CA -0.0042 0.0110 0.0031 1174 ALA 183 CB -0.0042 0.0117 0.0029 1175 ALA 183 C -0.0040 0.0103 0.0030 1176 ALA 183 O -0.0036 0.0099 0.0026 1177 ASN 184 N -0.0044 0.0100 0.0034 1178 ASN 184 H -0.0048 0.0102 0.0038 1179 ASN 184 CA -0.0043 0.0093 0.0034 1180 ASN 184 CB -0.0047 0.0091 0.0039 1181 ASN 184 CG -0.0047 0.0097 0.0037 1182 ASN 184 OD1 -0.0043 0.0100 0.0033 1183 ASN 184 ND2 -0.0052 0.0099 0.0042 1184 ASN 184 1HD2 -0.0052 0.0102 0.0041 1185 ASN 184 2HD2 -0.0056 0.0097 0.0046 1186 ASN 184 C -0.0042 0.0086 0.0035 1187 ASN 184 O -0.0038 0.0080 0.0032 1188 GLY 185 N -0.0063 0.0040 0.0060 1189 GLY 185 H -0.0075 0.0050 0.0057 1190 GLY 185 CA -0.0044 0.0024 0.0063 1191 GLY 185 C -0.0022 0.0021 0.0043 1192 GLY 185 O -0.0005 0.0006 0.0048 1193 VAL 186 N -0.0024 0.0036 0.0021 1194 VAL 186 H -0.0039 0.0048 0.0018 1195 VAL 186 CA -0.0005 0.0035 0.0000 1196 VAL 186 CB -0.0011 0.0053 -0.0023 1197 VAL 186 CG1 0.0009 0.0052 -0.0045 1198 VAL 186 CG2 -0.0015 0.0056 -0.0024 1199 VAL 186 C 0.0002 0.0030 0.0000 1200 VAL 186 O 0.0022 0.0019 -0.0005 1201 LEU 187 N 0.0014 0.0053 0.0032 1202 LEU 187 H 0.0004 0.0061 0.0037 1203 LEU 187 CA 0.0030 0.0043 0.0024 1204 LEU 187 CB 0.0031 0.0051 0.0023 1205 LEU 187 CG 0.0038 0.0075 0.0020 1206 LEU 187 CD1 0.0035 0.0083 0.0021 1207 LEU 187 CD2 0.0058 0.0080 0.0009 1208 LEU 187 C 0.0030 0.0018 0.0023 1209 LEU 187 O 0.0046 0.0008 0.0015 1210 GLN 188 N 0.0013 0.0007 0.0033 1211 GLN 188 H 0.0000 0.0016 0.0039 1212 GLN 188 CA 0.0011 -0.0016 0.0034 1213 GLN 188 CB -0.0011 -0.0025 0.0045 1214 GLN 188 CG -0.0020 -0.0024 0.0050 1215 GLN 188 CD -0.0042 -0.0030 0.0062 1216 GLN 188 OE1 -0.0051 -0.0032 0.0067 1217 GLN 188 NE2 -0.0051 -0.0032 0.0067 1218 GLN 188 1HE2 -0.0065 -0.0035 0.0074 1219 GLN 188 2HE2 -0.0043 -0.0030 0.0062 1220 GLN 188 C 0.0018 -0.0024 0.0030 1221 GLN 188 O 0.0028 -0.0041 0.0024 1222 THR 189 N 0.0020 -0.0026 0.0048 1223 THR 189 H 0.0017 -0.0023 0.0047 1224 THR 189 CA 0.0024 -0.0025 0.0047 1225 THR 189 CB 0.0023 -0.0020 0.0044 1226 THR 189 CG2 0.0027 -0.0019 0.0043 1227 THR 189 OG1 0.0018 -0.0021 0.0045 1228 THR 189 HG1 0.0015 -0.0021 0.0045 1229 THR 189 C 0.0029 -0.0024 0.0046 1230 THR 189 O 0.0033 -0.0026 0.0047 1231 PHE 190 N 0.0029 -0.0022 0.0045 1232 PHE 190 H 0.0026 -0.0021 0.0044 1233 PHE 190 CA 0.0034 -0.0022 0.0044 1234 PHE 190 CB 0.0033 -0.0018 0.0042 1235 PHE 190 CG 0.0039 -0.0017 0.0041 1236 PHE 190 CD1 0.0043 -0.0015 0.0039 1237 PHE 190 CE1 0.0048 -0.0015 0.0039 1238 PHE 190 CZ 0.0050 -0.0016 0.0039 1239 PHE 190 CE2 0.0046 -0.0017 0.0040 1240 PHE 190 CD2 0.0041 -0.0018 0.0041 1241 PHE 190 C 0.0036 -0.0026 0.0047 1242 PHE 190 O 0.0041 -0.0027 0.0047 1243 MET 191 N 0.0095 -0.0050 0.0064 1244 MET 191 H 0.0089 -0.0045 0.0070 1245 MET 191 CA 0.0101 -0.0062 0.0056 1246 MET 191 CB 0.0096 -0.0063 0.0058 1247 MET 191 CG 0.0101 -0.0074 0.0051 1248 MET 191 SD 0.0089 -0.0092 0.0050 1249 MET 191 CE 0.0075 -0.0087 0.0061 1250 MET 191 C 0.0096 -0.0076 0.0053 1251 MET 191 O 0.0104 -0.0084 0.0045 1252 ARG 192 N 0.0083 -0.0079 0.0059 1253 ARG 192 H 0.0077 -0.0072 0.0066 1254 ARG 192 CA 0.0078 -0.0092 0.0057 1255 ARG 192 CB 0.0063 -0.0093 0.0066 1256 ARG 192 CG 0.0053 -0.0094 0.0071 1257 ARG 192 CD 0.0039 -0.0092 0.0081 1258 ARG 192 NE 0.0031 -0.0092 0.0085 1259 ARG 192 HE 0.0035 -0.0096 0.0082 1260 ARG 192 CZ 0.0020 -0.0087 0.0095 1261 ARG 192 NH1 0.0014 -0.0081 0.0100 1262 ARG 192 1HH1 0.0019 -0.0080 0.0098 1263 ARG 192 2HH1 0.0006 -0.0077 0.0107 1264 ARG 192 NH2 0.0013 -0.0087 0.0099 1265 ARG 192 1HH2 0.0017 -0.0091 0.0095 1266 ARG 192 2HH2 0.0004 -0.0083 0.0105 1267 ARG 192 C 0.0087 -0.0093 0.0052 1268 ARG 192 O 0.0088 -0.0105 0.0046 1269 MET 193 N 0.0044 -0.0057 0.0077 1270 MET 193 H 0.0043 -0.0057 0.0076 1271 MET 193 CA 0.0044 -0.0058 0.0076 1272 MET 193 CB 0.0044 -0.0060 0.0072 1273 MET 193 CG 0.0047 -0.0062 0.0071 1274 MET 193 SD 0.0047 -0.0064 0.0067 1275 MET 193 CE 0.0049 -0.0065 0.0067 1276 MET 193 C 0.0040 -0.0057 0.0075 1277 MET 193 O 0.0041 -0.0057 0.0076 1278 ALA 194 N 0.0037 -0.0056 0.0075 1279 ALA 194 H 0.0037 -0.0056 0.0075 1280 ALA 194 CA 0.0034 -0.0056 0.0074 1281 ALA 194 CB 0.0031 -0.0056 0.0072 1282 ALA 194 C 0.0032 -0.0053 0.0077 1283 ALA 194 O 0.0029 -0.0053 0.0077 1284 TRP 195 N 0.0065 -0.0092 0.0098 1285 TRP 195 H 0.0072 -0.0098 0.0104 1286 TRP 195 CA 0.0073 -0.0071 0.0084 1287 TRP 195 CB 0.0053 -0.0056 0.0069 1288 TRP 195 CG 0.0030 -0.0057 0.0065 1289 TRP 195 CD1 0.0008 -0.0069 0.0068 1290 TRP 195 NE1 -0.0009 -0.0065 0.0062 1291 TRP 195 HE1 -0.0026 -0.0072 0.0063 1292 TRP 195 CE2 0.0002 -0.0049 0.0053 1293 TRP 195 CZ2 -0.0007 -0.0039 0.0043 1294 TRP 195 CH2 0.0009 -0.0024 0.0035 1295 TRP 195 CZ3 0.0033 -0.0018 0.0037 1296 TRP 195 CE3 0.0042 -0.0029 0.0046 1297 TRP 195 CD2 0.0026 -0.0044 0.0054 1298 TRP 195 C 0.0090 -0.0065 0.0084 1299 TRP 195 O 0.0097 -0.0078 0.0095 1300 GLY 196 N 0.0098 -0.0044 0.0071 1301 GLY 196 H 0.0092 -0.0034 0.0062 1302 GLY 196 CA 0.0115 -0.0036 0.0069 1303 GLY 196 C 0.0105 -0.0034 0.0065 1304 GLY 196 O 0.0117 -0.0021 0.0058 1305 GLY 197 N 0.0052 0.0023 0.0065 1306 GLY 197 H 0.0052 0.0009 0.0065 1307 GLY 197 CA 0.0060 0.0038 0.0041 1308 GLY 197 C 0.0059 0.0068 0.0043 1309 GLY 197 O 0.0061 0.0086 0.0034 1310 SER 198 N 0.0055 0.0074 0.0054 1311 SER 198 H 0.0053 0.0060 0.0060 1312 SER 198 CA 0.0053 0.0102 0.0057 1313 SER 198 CB 0.0057 0.0107 0.0046 1314 SER 198 OG 0.0053 0.0089 0.0057 1315 SER 198 HG 0.0056 0.0093 0.0049 1316 SER 198 C 0.0043 0.0109 0.0086 1317 SER 198 O 0.0040 0.0133 0.0093 1318 TYR 199 N 0.0114 0.0064 0.0027 1319 TYR 199 H 0.0107 0.0063 0.0022 1320 TYR 199 CA 0.0117 0.0064 0.0029 1321 TYR 199 CB 0.0107 0.0061 0.0035 1322 TYR 199 CG 0.0104 0.0059 0.0046 1323 TYR 199 CD1 0.0094 0.0057 0.0047 1324 TYR 199 CE1 0.0091 0.0055 0.0058 1325 TYR 199 CZ 0.0098 0.0054 0.0067 1326 TYR 199 OH 0.0095 0.0052 0.0078 1327 TYR 199 HH 0.0089 0.0051 0.0077 1328 TYR 199 CE2 0.0108 0.0056 0.0067 1329 TYR 199 CD2 0.0110 0.0059 0.0056 1330 TYR 199 C 0.0121 0.0067 0.0019 1331 TYR 199 O 0.0118 0.0066 0.0017 1332 ILE 200 N 0.0126 0.0069 0.0010 1333 ILE 200 H 0.0128 0.0069 0.0011 1334 ILE 200 CA 0.0130 0.0072 -0.0000 1335 ILE 200 CB 0.0136 0.0074 -0.0008 1336 ILE 200 CG2 0.0140 0.0077 -0.0019 1337 ILE 200 CG1 0.0129 0.0073 -0.0013 1338 ILE 200 CD1 0.0135 0.0076 -0.0019 1339 ILE 200 C 0.0139 0.0073 0.0003 1340 ILE 200 O 0.0147 0.0074 0.0009 1341 ALA 201 N 0.0192 0.0078 -0.0026 1342 ALA 201 H 0.0201 0.0079 -0.0020 1343 ALA 201 CA 0.0185 0.0077 -0.0029 1344 ALA 201 CB 0.0194 0.0079 -0.0036 1345 ALA 201 C 0.0180 0.0075 -0.0015 1346 ALA 201 O 0.0170 0.0074 -0.0015 1347 LEU 202 N 0.0185 0.0076 -0.0002 1348 LEU 202 H 0.0193 0.0077 -0.0002 1349 LEU 202 CA 0.0182 0.0075 0.0011 1350 LEU 202 CB 0.0195 0.0077 0.0019 1351 LEU 202 CG 0.0202 0.0078 0.0011 1352 LEU 202 CD1 0.0215 0.0080 0.0019 1353 LEU 202 CD2 0.0192 0.0077 0.0007 1354 LEU 202 C 0.0171 0.0073 0.0020 1355 LEU 202 O 0.0171 0.0072 0.0033 1356 ASP 203 N 0.0290 0.0092 -0.0026 1357 ASP 203 H 0.0290 0.0155 -0.0107 1358 ASP 203 CA 0.0241 0.0074 0.0013 1359 ASP 203 CB 0.0216 0.0152 -0.0082 1360 ASP 203 CG 0.0349 0.0168 -0.0143 1361 ASP 203 OD1 0.0460 0.0112 -0.0103 1362 ASP 203 OD2 0.0339 0.0240 -0.0235 1363 ASP 203 C 0.0105 0.0051 0.0084 1364 ASP 203 O 0.0023 0.0090 0.0058 1365 SER 204 N 0.0080 -0.0015 0.0178 1366 SER 204 H 0.0148 -0.0045 0.0198 1367 SER 204 CA -0.0044 -0.0046 0.0257 1368 SER 204 CB -0.0037 -0.0128 0.0362 1369 SER 204 OG -0.0159 -0.0159 0.0440 1370 SER 204 HG -0.0145 -0.0208 0.0501 1371 SER 204 C -0.0171 0.0023 0.0205 1372 SER 204 O -0.0176 0.0067 0.0149 1373 GLY 205 N -0.0042 -0.0346 -0.0622 1374 GLY 205 H -0.0114 -0.0439 -0.0568 1375 GLY 205 CA 0.0014 -0.0179 -0.0511 1376 GLY 205 C -0.0062 -0.0199 -0.0323 1377 GLY 205 O -0.0160 -0.0331 -0.0258 1378 LYS 206 N -0.0017 -0.0061 -0.0228 1379 LYS 206 H 0.0063 0.0047 -0.0281 1380 LYS 206 CA -0.0080 -0.0062 -0.0047 1381 LYS 206 CB -0.0018 0.0080 0.0005 1382 LYS 206 CG 0.0005 0.0049 -0.0110 1383 LYS 206 CD 0.0063 0.0186 -0.0055 1384 LYS 206 CE 0.0082 0.0151 -0.0166 1385 LYS 206 NZ 0.0136 0.0286 -0.0101 1386 LYS 206 HZ1 0.0095 0.0301 0.0043 1387 LYS 206 HZ2 0.0136 0.0250 -0.0161 1388 LYS 206 HZ3 0.0215 0.0401 -0.0140 1389 LYS 206 C -0.0125 -0.0047 0.0107 1390 LYS 206 O -0.0213 -0.0118 0.0243 1391 GLY 207 N -0.0175 0.0021 -0.0080 1392 GLY 207 H -0.0176 0.0013 -0.0065 1393 GLY 207 CA -0.0174 0.0028 -0.0092 1394 GLY 207 C -0.0166 0.0050 -0.0086 1395 GLY 207 O -0.0165 0.0057 -0.0095 1396 SER 208 N -0.0161 0.0061 -0.0070 1397 SER 208 H -0.0162 0.0055 -0.0063 1398 SER 208 CA -0.0153 0.0082 -0.0063 1399 SER 208 CB -0.0149 0.0087 -0.0040 1400 SER 208 OG -0.0152 0.0073 -0.0023 1401 SER 208 HG -0.0149 0.0078 -0.0009 1402 SER 208 C -0.0150 0.0099 -0.0080 1403 SER 208 O -0.0151 0.0098 -0.0090 1404 TRP 209 N 0.0004 0.0006 -0.0107 1405 TRP 209 H 0.0006 0.0007 -0.0099 1406 TRP 209 CA 0.0011 0.0027 -0.0126 1407 TRP 209 CB 0.0008 0.0030 -0.0152 1408 TRP 209 CG -0.0006 0.0006 -0.0169 1409 TRP 209 CD1 -0.0014 -0.0013 -0.0166 1410 TRP 209 NE1 -0.0026 -0.0031 -0.0185 1411 TRP 209 HE1 -0.0033 -0.0046 -0.0187 1412 TRP 209 CE2 -0.0025 -0.0023 -0.0201 1413 TRP 209 CZ2 -0.0033 -0.0034 -0.0223 1414 TRP 209 CH2 -0.0029 -0.0021 -0.0235 1415 TRP 209 CZ3 -0.0017 0.0002 -0.0226 1416 TRP 209 CE3 -0.0008 0.0013 -0.0204 1417 TRP 209 CD2 -0.0012 0.0000 -0.0191 1418 TRP 209 C 0.0025 0.0051 -0.0112 1419 TRP 209 O 0.0029 0.0053 -0.0091 1420 ASP 210 N 0.0032 0.0072 -0.0125 1421 ASP 210 H 0.0029 0.0070 -0.0142 1422 ASP 210 CA 0.0046 0.0097 -0.0115 1423 ASP 210 CB 0.0052 0.0116 -0.0132 1424 ASP 210 CG 0.0066 0.0140 -0.0117 1425 ASP 210 OD1 0.0069 0.0138 -0.0093 1426 ASP 210 OD2 0.0074 0.0161 -0.0128 1427 ASP 210 C 0.0051 0.0108 -0.0118 1428 ASP 210 O 0.0061 0.0124 -0.0101 1429 CYS 211 N 0.0017 0.0034 -0.0050 1430 CYS 211 H 0.0013 0.0029 -0.0055 1431 CYS 211 CA 0.0020 0.0055 -0.0034 1432 CYS 211 CB 0.0009 0.0067 -0.0029 1433 CYS 211 SG -0.0023 0.0070 -0.0039 1434 CYS 211 C 0.0045 0.0057 -0.0023 1435 CYS 211 O 0.0062 0.0045 -0.0026 1436 ILE 212 N 0.0049 0.0073 -0.0010 1437 ILE 212 H 0.0035 0.0082 -0.0009 1438 ILE 212 CA 0.0071 0.0079 0.0002 1439 ILE 212 CB 0.0069 0.0092 0.0011 1440 ILE 212 CG2 0.0091 0.0102 0.0026 1441 ILE 212 CG1 0.0068 0.0078 0.0001 1442 ILE 212 CD1 0.0044 0.0074 -0.0011 1443 ILE 212 C 0.0077 0.0090 0.0013 1444 ILE 212 O 0.0062 0.0102 0.0016 1445 MET 213 N 0.0073 0.0096 0.0005 1446 MET 213 H 0.0083 0.0087 0.0007 1447 MET 213 CA 0.0066 0.0114 -0.0001 1448 MET 213 CB 0.0050 0.0110 0.0002 1449 MET 213 CG 0.0029 0.0102 0.0009 1450 MET 213 SD 0.0011 0.0118 0.0004 1451 MET 213 CE 0.0005 0.0136 -0.0002 1452 MET 213 C 0.0084 0.0124 -0.0008 1453 MET 213 O 0.0099 0.0114 -0.0006 1454 THR 214 N 0.0086 0.0143 -0.0017 1455 THR 214 H 0.0075 0.0150 -0.0018 1456 THR 214 CA 0.0103 0.0155 -0.0024 1457 THR 214 CB 0.0119 0.0161 -0.0029 1458 THR 214 CG2 0.0132 0.0143 -0.0023 1459 THR 214 OG1 0.0109 0.0173 -0.0032 1460 THR 214 HG1 0.0105 0.0186 -0.0037 1461 THR 214 C 0.0093 0.0174 -0.0030 1462 THR 214 O 0.0076 0.0181 -0.0031 1463 SER 215 N 0.0124 0.0287 -0.0133 1464 SER 215 H 0.0080 0.0309 -0.0137 1465 SER 215 CA 0.0136 0.0234 -0.0121 1466 SER 215 CB 0.0088 0.0236 -0.0120 1467 SER 215 OG 0.0021 0.0228 -0.0115 1468 SER 215 HG -0.0005 0.0227 -0.0114 1469 SER 215 C 0.0131 0.0169 -0.0105 1470 SER 215 O 0.0165 0.0124 -0.0095 1471 TYR 216 N 0.0088 0.0164 -0.0102 1472 TYR 216 H 0.0061 0.0202 -0.0110 1473 TYR 216 CA 0.0074 0.0106 -0.0088 1474 TYR 216 CB 0.0018 0.0115 -0.0088 1475 TYR 216 CG -0.0045 0.0127 -0.0088 1476 TYR 216 CD1 -0.0071 0.0190 -0.0102 1477 TYR 216 CE1 -0.0131 0.0202 -0.0103 1478 TYR 216 CZ -0.0165 0.0151 -0.0090 1479 TYR 216 OH -0.0225 0.0163 -0.0090 1480 TYR 216 HH -0.0235 0.0209 -0.0101 1481 TYR 216 CE2 -0.0139 0.0089 -0.0075 1482 TYR 216 CD2 -0.0080 0.0077 -0.0075 1483 TYR 216 C 0.0133 0.0078 -0.0083 1484 TYR 216 O 0.0172 0.0112 -0.0093 1485 GLN 217 N 0.0123 -0.0002 -0.0106 1486 GLN 217 H 0.0115 -0.0013 -0.0095 1487 GLN 217 CA 0.0139 -0.0013 -0.0107 1488 GLN 217 CB 0.0146 -0.0040 -0.0093 1489 GLN 217 CG 0.0163 -0.0050 -0.0095 1490 GLN 217 CD 0.0167 -0.0077 -0.0080 1491 GLN 217 OE1 0.0183 -0.0088 -0.0080 1492 GLN 217 NE2 0.0152 -0.0088 -0.0066 1493 GLN 217 1HE2 0.0154 -0.0105 -0.0056 1494 GLN 217 2HE2 0.0140 -0.0078 -0.0067 1495 GLN 217 C 0.0129 -0.0008 -0.0106 1496 GLN 217 O 0.0144 -0.0006 -0.0114 1497 TYR 218 N 0.0104 -0.0006 -0.0095 1498 TYR 218 H 0.0092 -0.0007 -0.0089 1499 TYR 218 CA 0.0094 -0.0002 -0.0093 1500 TYR 218 CB 0.0085 -0.0023 -0.0075 1501 TYR 218 CG 0.0106 -0.0045 -0.0072 1502 TYR 218 CD1 0.0112 -0.0061 -0.0064 1503 TYR 218 CE1 0.0132 -0.0081 -0.0061 1504 TYR 218 CZ 0.0146 -0.0085 -0.0065 1505 TYR 218 OH 0.0167 -0.0105 -0.0062 1506 TYR 218 HH 0.0175 -0.0104 -0.0067 1507 TYR 218 CE2 0.0141 -0.0069 -0.0073 1508 TYR 218 CD2 0.0121 -0.0049 -0.0076 1509 TYR 218 C 0.0071 0.0018 -0.0095 1510 TYR 218 O 0.0056 0.0023 -0.0091 1511 LEU 219 N 0.0043 0.0024 -0.0095 1512 LEU 219 H 0.0053 0.0021 -0.0097 1513 LEU 219 CA 0.0036 0.0034 -0.0093 1514 LEU 219 CB 0.0045 0.0048 -0.0098 1515 LEU 219 CG 0.0037 0.0061 -0.0097 1516 LEU 219 CD1 0.0042 0.0075 -0.0100 1517 LEU 219 CD2 0.0038 0.0061 -0.0097 1518 LEU 219 C 0.0033 0.0026 -0.0092 1519 LEU 219 O 0.0043 0.0021 -0.0094 1520 ILE 220 N 0.0020 0.0023 -0.0088 1521 ILE 220 H 0.0011 0.0026 -0.0085 1522 ILE 220 CA 0.0017 0.0014 -0.0086 1523 ILE 220 CB 0.0011 -0.0001 -0.0082 1524 ILE 220 CG2 0.0008 -0.0010 -0.0081 1525 ILE 220 CG1 0.0022 -0.0010 -0.0085 1526 ILE 220 CD1 0.0016 -0.0024 -0.0082 1527 ILE 220 C 0.0007 0.0022 -0.0084 1528 ILE 220 O -0.0004 0.0028 -0.0081 1529 ILE 221 N -0.0011 0.0058 -0.0090 1530 ILE 221 H -0.0002 0.0053 -0.0096 1531 ILE 221 CA -0.0016 0.0070 -0.0086 1532 ILE 221 CB -0.0004 0.0081 -0.0093 1533 ILE 221 CG2 -0.0008 0.0094 -0.0089 1534 ILE 221 CG1 0.0004 0.0091 -0.0098 1535 ILE 221 CD1 0.0018 0.0100 -0.0106 1536 ILE 221 C -0.0022 0.0060 -0.0083 1537 ILE 221 O -0.0014 0.0050 -0.0088 1538 GLN 222 N -0.0035 0.0062 -0.0073 1539 GLN 222 H -0.0041 0.0070 -0.0069 1540 GLN 222 CA -0.0042 0.0053 -0.0069 1541 GLN 222 CB -0.0053 0.0039 -0.0063 1542 GLN 222 CG -0.0048 0.0025 -0.0067 1543 GLN 222 CD -0.0060 0.0012 -0.0060 1544 GLN 222 OE1 -0.0065 0.0002 -0.0057 1545 GLN 222 NE2 -0.0066 0.0013 -0.0056 1546 GLN 222 1HE2 -0.0074 0.0006 -0.0051 1547 GLN 222 2HE2 -0.0062 0.0022 -0.0058 1548 GLN 222 C -0.0050 0.0064 -0.0063 1549 GLN 222 O -0.0055 0.0078 -0.0059 1550 ASN 223 N -0.0066 0.0117 -0.0059 1551 ASN 223 H -0.0064 0.0112 -0.0062 1552 ASN 223 CA -0.0070 0.0125 -0.0053 1553 ASN 223 CB -0.0068 0.0124 -0.0056 1554 ASN 223 CG -0.0071 0.0133 -0.0051 1555 ASN 223 OD1 -0.0076 0.0138 -0.0045 1556 ASN 223 ND2 -0.0067 0.0135 -0.0056 1557 ASN 223 1HD2 -0.0069 0.0140 -0.0053 1558 ASN 223 2HD2 -0.0063 0.0131 -0.0061 1559 ASN 223 C -0.0077 0.0122 -0.0045 1560 ASN 223 O -0.0079 0.0113 -0.0043 1561 THR 224 N -0.0081 0.0129 -0.0039 1562 THR 224 H -0.0080 0.0136 -0.0041 1563 THR 224 CA -0.0089 0.0127 -0.0031 1564 THR 224 CB -0.0090 0.0122 -0.0029 1565 THR 224 CG2 -0.0098 0.0119 -0.0020 1566 THR 224 OG1 -0.0087 0.0112 -0.0034 1567 THR 224 HG1 -0.0088 0.0110 -0.0033 1568 THR 224 C -0.0092 0.0137 -0.0025 1569 THR 224 O -0.0090 0.0144 -0.0027 1570 THR 225 N -0.0045 0.0199 -0.0011 1571 THR 225 H -0.0043 0.0214 -0.0014 1572 THR 225 CA -0.0024 0.0200 0.0001 1573 THR 225 CB -0.0003 0.0224 0.0005 1574 THR 225 CG2 0.0019 0.0225 0.0017 1575 THR 225 OG1 -0.0013 0.0249 -0.0010 1576 THR 225 HG1 -0.0020 0.0250 -0.0014 1577 THR 225 C -0.0013 0.0172 0.0016 1578 THR 225 O -0.0011 0.0162 0.0022 1579 TRP 226 N -0.0008 0.0161 0.0023 1580 TRP 226 H -0.0010 0.0170 0.0019 1581 TRP 226 CA 0.0002 0.0135 0.0038 1582 TRP 226 CB -0.0001 0.0122 0.0041 1583 TRP 226 CG 0.0009 0.0094 0.0055 1584 TRP 226 CD1 0.0031 0.0088 0.0069 1585 TRP 226 NE1 0.0032 0.0061 0.0080 1586 TRP 226 HE1 0.0046 0.0051 0.0090 1587 TRP 226 CE2 0.0011 0.0048 0.0072 1588 TRP 226 CZ2 0.0003 0.0020 0.0077 1589 TRP 226 CH2 -0.0021 0.0013 0.0066 1590 TRP 226 CZ3 -0.0035 0.0034 0.0051 1591 TRP 226 CE3 -0.0028 0.0062 0.0046 1592 TRP 226 CD2 -0.0005 0.0068 0.0056 1593 TRP 226 C 0.0030 0.0137 0.0052 1594 TRP 226 O 0.0046 0.0155 0.0056 1595 ASP 227 N 0.0015 0.0160 0.0050 1596 ASP 227 H -0.0002 0.0153 0.0051 1597 ASP 227 CA 0.0048 0.0161 0.0053 1598 ASP 227 CB 0.0057 0.0189 0.0044 1599 ASP 227 CG 0.0036 0.0193 0.0041 1600 ASP 227 OD1 0.0013 0.0174 0.0045 1601 ASP 227 OD2 0.0044 0.0215 0.0034 1602 ASP 227 C 0.0054 0.0130 0.0064 1603 ASP 227 O 0.0070 0.0129 0.0066 1604 ASP 228 N 0.0043 0.0104 0.0072 1605 ASP 228 H 0.0031 0.0106 0.0071 1606 ASP 228 CA 0.0046 0.0073 0.0084 1607 ASP 228 CB 0.0082 0.0061 0.0091 1608 ASP 228 CG 0.0084 0.0026 0.0103 1609 ASP 228 OD1 0.0059 0.0009 0.0107 1610 ASP 228 OD2 0.0111 0.0015 0.0109 1611 ASP 228 C 0.0031 0.0067 0.0084 1612 ASP 228 O 0.0045 0.0055 0.0090 1613 HIS 229 N -0.0016 0.0055 0.0056 1614 HIS 229 H -0.0023 0.0064 0.0050 1615 HIS 229 CA -0.0032 0.0048 0.0054 1616 HIS 229 CB -0.0055 0.0059 0.0044 1617 HIS 229 CG -0.0055 0.0083 0.0033 1618 HIS 229 ND1 -0.0053 0.0090 0.0031 1619 HIS 229 CE1 -0.0055 0.0112 0.0021 1620 HIS 229 NE2 -0.0057 0.0120 0.0017 1621 HIS 229 CD2 -0.0057 0.0101 0.0025 1622 HIS 229 C -0.0038 0.0024 0.0063 1623 HIS 229 O -0.0042 0.0016 0.0066 1624 CYS 230 N -0.0040 0.0011 0.0069 1625 CYS 230 H -0.0036 0.0017 0.0067 1626 CYS 230 CA -0.0046 -0.0013 0.0077 1627 CYS 230 CB -0.0073 -0.0019 0.0072 1628 CYS 230 SG -0.0081 -0.0048 0.0083 1629 CYS 230 C -0.0037 -0.0028 0.0086 1630 CYS 230 O -0.0040 -0.0025 0.0084 1631 GLN 231 N -0.0050 -0.0065 0.0082 1632 GLN 231 H -0.0025 -0.0051 0.0077 1633 GLN 231 CA -0.0059 -0.0093 0.0054 1634 GLN 231 CB -0.0039 -0.0102 0.0026 1635 GLN 231 CG -0.0051 -0.0133 -0.0002 1636 GLN 231 CD -0.0032 -0.0141 -0.0029 1637 GLN 231 OE1 -0.0010 -0.0124 -0.0028 1638 GLN 231 NE2 -0.0042 -0.0169 -0.0054 1639 GLN 231 1HE2 -0.0031 -0.0176 -0.0073 1640 GLN 231 2HE2 -0.0061 -0.0182 -0.0055 1641 GLN 231 C -0.0048 -0.0093 0.0045 1642 GLN 231 O -0.0019 -0.0077 0.0038 1643 PHE 232 N -0.0072 -0.0109 0.0046 1644 PHE 232 H -0.0096 -0.0122 0.0051 1645 PHE 232 CA -0.0065 -0.0109 0.0040 1646 PHE 232 CB -0.0081 -0.0094 0.0072 1647 PHE 232 CG -0.0071 -0.0086 0.0074 1648 PHE 232 CD1 -0.0094 -0.0098 0.0079 1649 PHE 232 CE1 -0.0085 -0.0090 0.0080 1650 PHE 232 CZ -0.0052 -0.0070 0.0076 1651 PHE 232 CE2 -0.0028 -0.0058 0.0070 1652 PHE 232 CD2 -0.0038 -0.0066 0.0069 1653 PHE 232 C -0.0076 -0.0138 0.0013 1654 PHE 232 O -0.0086 -0.0157 -0.0002 1655 SER 233 N -0.0109 -0.0116 0.0037 1656 SER 233 H -0.0097 -0.0115 0.0041 1657 SER 233 CA -0.0107 -0.0098 0.0029 1658 SER 233 CB -0.0092 -0.0080 0.0026 1659 SER 233 OG -0.0071 -0.0085 0.0037 1660 SER 233 HG -0.0063 -0.0073 0.0034 1661 SER 233 C -0.0101 -0.0103 0.0033 1662 SER 233 O -0.0108 -0.0094 0.0026 1663 ARG 234 N -0.0088 -0.0116 0.0046 1664 ARG 234 H -0.0081 -0.0123 0.0052 1665 ARG 234 CA -0.0082 -0.0121 0.0050 1666 ARG 234 CB -0.0060 -0.0111 0.0054 1667 ARG 234 CG -0.0056 -0.0112 0.0057 1668 ARG 234 CD -0.0033 -0.0105 0.0062 1669 ARG 234 NE -0.0029 -0.0083 0.0053 1670 ARG 234 HE -0.0040 -0.0076 0.0045 1671 ARG 234 CZ -0.0009 -0.0072 0.0056 1672 ARG 234 NH1 0.0008 -0.0081 0.0067 1673 ARG 234 1HH1 0.0006 -0.0096 0.0073 1674 ARG 234 2HH1 0.0022 -0.0072 0.0068 1675 ARG 234 NH2 -0.0006 -0.0052 0.0047 1676 ARG 234 1HH2 -0.0018 -0.0046 0.0039 1677 ARG 234 2HH2 0.0008 -0.0044 0.0048 1678 ARG 234 C -0.0086 -0.0143 0.0060 1679 ARG 234 O -0.0071 -0.0152 0.0070 1680 PRO 235 N -0.0078 -0.0119 0.0037 1681 PRO 235 CA -0.0076 -0.0121 0.0036 1682 PRO 235 CB -0.0079 -0.0122 0.0035 1683 PRO 235 CG -0.0082 -0.0121 0.0036 1684 PRO 235 CD -0.0081 -0.0118 0.0037 1685 PRO 235 C -0.0074 -0.0119 0.0037 1686 PRO 235 O -0.0074 -0.0117 0.0039 1687 SER 236 N -0.0071 -0.0120 0.0036 1688 SER 236 H -0.0071 -0.0123 0.0035 1689 SER 236 CA -0.0068 -0.0119 0.0037 1690 SER 236 CB -0.0068 -0.0116 0.0039 1691 SER 236 OG -0.0068 -0.0115 0.0040 1692 SER 236 HG -0.0070 -0.0115 0.0040 1693 SER 236 C -0.0066 -0.0121 0.0036 1694 SER 236 O -0.0066 -0.0122 0.0035 1695 PRO 237 N -0.0022 -0.0107 0.0050 1696 PRO 237 CA -0.0021 -0.0108 0.0053 1697 PRO 237 CB -0.0021 -0.0112 0.0055 1698 PRO 237 CG -0.0022 -0.0112 0.0052 1699 PRO 237 CD -0.0023 -0.0110 0.0048 1700 PRO 237 C -0.0019 -0.0105 0.0056 1701 PRO 237 O -0.0018 -0.0105 0.0059 1702 ILE 238 N -0.0019 -0.0102 0.0055 1703 ILE 238 H -0.0020 -0.0101 0.0052 1704 ILE 238 CA -0.0018 -0.0099 0.0057 1705 ILE 238 CB -0.0018 -0.0096 0.0055 1706 ILE 238 CG2 -0.0017 -0.0093 0.0057 1707 ILE 238 CG1 -0.0019 -0.0098 0.0054 1708 ILE 238 CD1 -0.0021 -0.0101 0.0051 1709 ILE 238 C -0.0016 -0.0097 0.0060 1710 ILE 238 O -0.0015 -0.0097 0.0063 1711 GLY 239 N 0.0017 -0.0097 0.0116 1712 GLY 239 H 0.0018 -0.0096 0.0120 1713 GLY 239 CA 0.0006 -0.0102 0.0103 1714 GLY 239 C 0.0011 -0.0097 0.0087 1715 GLY 239 O 0.0005 -0.0100 0.0078 1716 TYR 240 N 0.0023 -0.0089 0.0082 1717 TYR 240 H 0.0029 -0.0086 0.0090 1718 TYR 240 CA 0.0030 -0.0083 0.0067 1719 TYR 240 CB 0.0042 -0.0075 0.0064 1720 TYR 240 CG 0.0050 -0.0068 0.0049 1721 TYR 240 CD1 0.0044 -0.0070 0.0032 1722 TYR 240 CE1 0.0053 -0.0063 0.0019 1723 TYR 240 CZ 0.0067 -0.0054 0.0022 1724 TYR 240 OH 0.0075 -0.0047 0.0009 1725 TYR 240 HH 0.0069 -0.0050 -0.0002 1726 TYR 240 CE2 0.0072 -0.0053 0.0038 1727 TYR 240 CD2 0.0064 -0.0059 0.0051 1728 TYR 240 C 0.0036 -0.0079 0.0069 1729 TYR 240 O 0.0036 -0.0078 0.0057 1730 LEU 241 N 0.0038 -0.0112 0.0096 1731 LEU 241 H 0.0036 -0.0112 0.0102 1732 LEU 241 CA 0.0042 -0.0107 0.0095 1733 LEU 241 CB 0.0043 -0.0103 0.0104 1734 LEU 241 CG 0.0045 -0.0098 0.0108 1735 LEU 241 CD1 0.0047 -0.0094 0.0116 1736 LEU 241 CD2 0.0050 -0.0094 0.0102 1737 LEU 241 C 0.0040 -0.0111 0.0092 1738 LEU 241 O 0.0043 -0.0108 0.0087 1739 GLY 242 N 0.0035 -0.0117 0.0094 1740 GLY 242 H 0.0032 -0.0119 0.0098 1741 GLY 242 CA 0.0032 -0.0122 0.0091 1742 GLY 242 C 0.0034 -0.0124 0.0081 1743 GLY 242 O 0.0034 -0.0125 0.0077 1744 LEU 243 N 0.0051 -0.0133 0.0069 1745 LEU 243 H 0.0069 -0.0125 0.0073 1746 LEU 243 CA 0.0032 -0.0115 0.0058 1747 LEU 243 CB 0.0041 -0.0088 0.0055 1748 LEU 243 CG 0.0051 -0.0086 0.0057 1749 LEU 243 CD1 0.0061 -0.0057 0.0054 1750 LEU 243 CD2 0.0031 -0.0096 0.0053 1751 LEU 243 C 0.0022 -0.0109 0.0053 1752 LEU 243 O -0.0001 -0.0108 0.0045 1753 LEU 244 N 0.0040 -0.0106 0.0058 1754 LEU 244 H 0.0058 -0.0107 0.0065 1755 LEU 244 CA 0.0033 -0.0100 0.0055 1756 LEU 244 CB 0.0057 -0.0096 0.0062 1757 LEU 244 CG 0.0075 -0.0072 0.0062 1758 LEU 244 CD1 0.0099 -0.0074 0.0071 1759 LEU 244 CD2 0.0063 -0.0047 0.0052 1760 LEU 244 C 0.0017 -0.0122 0.0055 1761 LEU 244 O -0.0000 -0.0118 0.0048 1762 SER 245 N -0.0020 -0.0134 0.0080 1763 SER 245 H -0.0010 -0.0136 0.0085 1764 SER 245 CA -0.0023 -0.0143 0.0065 1765 SER 245 CB -0.0014 -0.0153 0.0061 1766 SER 245 OG 0.0001 -0.0159 0.0066 1767 SER 245 HG 0.0006 -0.0164 0.0063 1768 SER 245 C -0.0022 -0.0149 0.0059 1769 SER 245 O -0.0023 -0.0159 0.0047 1770 GLN 246 N -0.0020 -0.0144 0.0067 1771 GLN 246 H -0.0019 -0.0137 0.0077 1772 GLN 246 CA -0.0018 -0.0150 0.0062 1773 GLN 246 CB -0.0017 -0.0142 0.0073 1774 GLN 246 CG -0.0011 -0.0147 0.0071 1775 GLN 246 CD -0.0023 -0.0147 0.0062 1776 GLN 246 OE1 -0.0021 -0.0156 0.0053 1777 GLN 246 NE2 -0.0036 -0.0136 0.0064 1778 GLN 246 1HE2 -0.0044 -0.0136 0.0058 1779 GLN 246 2HE2 -0.0038 -0.0129 0.0072 1780 GLN 246 C -0.0030 -0.0153 0.0048 1781 GLN 246 O -0.0027 -0.0163 0.0039 1782 ARG 247 N -0.0034 -0.0150 0.0012 1783 ARG 247 H -0.0052 -0.0154 0.0025 1784 ARG 247 CA -0.0028 -0.0139 -0.0007 1785 ARG 247 CB -0.0045 -0.0140 0.0003 1786 ARG 247 CG -0.0031 -0.0160 0.0025 1787 ARG 247 CD -0.0045 -0.0164 0.0038 1788 ARG 247 NE -0.0028 -0.0184 0.0059 1789 ARG 247 HE -0.0011 -0.0186 0.0055 1790 ARG 247 CZ -0.0035 -0.0199 0.0084 1791 ARG 247 NH1 -0.0058 -0.0197 0.0092 1792 ARG 247 1HH1 -0.0070 -0.0185 0.0079 1793 ARG 247 2HH1 -0.0062 -0.0209 0.0110 1794 ARG 247 NH2 -0.0018 -0.0217 0.0103 1795 ARG 247 1HH2 -0.0001 -0.0218 0.0098 1796 ARG 247 2HH2 -0.0023 -0.0228 0.0121 1797 ARG 247 C -0.0037 -0.0118 -0.0034 1798 ARG 247 O -0.0024 -0.0108 -0.0054 1799 THR 248 N -0.0058 -0.0112 -0.0034 1800 THR 248 H -0.0066 -0.0120 -0.0018 1801 THR 248 CA -0.0068 -0.0092 -0.0057 1802 THR 248 CB -0.0102 -0.0084 -0.0054 1803 THR 248 CG2 -0.0120 -0.0086 -0.0043 1804 THR 248 OG1 -0.0110 -0.0094 -0.0035 1805 THR 248 HG1 -0.0130 -0.0087 -0.0037 1806 THR 248 C -0.0049 -0.0090 -0.0070 1807 THR 248 O -0.0057 -0.0075 -0.0087 1808 ARG 249 N -0.0065 -0.0124 -0.0004 1809 ARG 249 H -0.0065 -0.0122 0.0003 1810 ARG 249 CA -0.0046 -0.0150 -0.0008 1811 ARG 249 CB -0.0029 -0.0166 0.0011 1812 ARG 249 CG -0.0025 -0.0162 0.0045 1813 ARG 249 CD -0.0007 -0.0182 0.0062 1814 ARG 249 NE -0.0009 -0.0181 0.0056 1815 ARG 249 HE -0.0017 -0.0167 0.0066 1816 ARG 249 CZ 0.0000 -0.0198 0.0035 1817 ARG 249 NH1 0.0014 -0.0219 0.0023 1818 ARG 249 1HH1 0.0018 -0.0223 0.0030 1819 ARG 249 2HH1 0.0021 -0.0232 0.0008 1820 ARG 249 NH2 -0.0005 -0.0194 0.0026 1821 ARG 249 1HH2 -0.0015 -0.0179 0.0033 1822 ARG 249 2HH2 0.0002 -0.0206 0.0010 1823 ARG 249 C -0.0044 -0.0160 -0.0040 1824 ARG 249 O -0.0038 -0.0173 -0.0057 1825 ASP 250 N -0.0051 -0.0153 -0.0049 1826 ASP 250 H -0.0057 -0.0142 -0.0034 1827 ASP 250 CA -0.0050 -0.0162 -0.0077 1828 ASP 250 CB -0.0062 -0.0148 -0.0079 1829 ASP 250 CG -0.0052 -0.0155 -0.0056 1830 ASP 250 OD1 -0.0035 -0.0173 -0.0042 1831 ASP 250 OD2 -0.0062 -0.0141 -0.0052 1832 ASP 250 C -0.0057 -0.0161 -0.0106 1833 ASP 250 O -0.0047 -0.0179 -0.0126 1834 ILE 251 N -0.0074 -0.0084 -0.0089 1835 ILE 251 H -0.0084 -0.0071 -0.0072 1836 ILE 251 CA -0.0077 -0.0071 -0.0116 1837 ILE 251 CB -0.0095 -0.0039 -0.0121 1838 ILE 251 CG2 -0.0099 -0.0024 -0.0149 1839 ILE 251 CG1 -0.0096 -0.0035 -0.0128 1840 ILE 251 CD1 -0.0083 -0.0048 -0.0157 1841 ILE 251 C -0.0073 -0.0078 -0.0115 1842 ILE 251 O -0.0068 -0.0079 -0.0140 1843 TYR 252 N -0.0074 -0.0085 -0.0085 1844 TYR 252 H -0.0077 -0.0085 -0.0065 1845 TYR 252 CA -0.0070 -0.0092 -0.0078 1846 TYR 252 CB -0.0051 -0.0121 -0.0088 1847 TYR 252 CG -0.0041 -0.0145 -0.0066 1848 TYR 252 CD1 -0.0030 -0.0161 -0.0076 1849 TYR 252 CE1 -0.0021 -0.0182 -0.0055 1850 TYR 252 CZ -0.0022 -0.0188 -0.0024 1851 TYR 252 OH -0.0013 -0.0209 -0.0002 1852 TYR 252 HH -0.0006 -0.0218 -0.0013 1853 TYR 252 CE2 -0.0034 -0.0172 -0.0014 1854 TYR 252 CD2 -0.0043 -0.0150 -0.0035 1855 TYR 252 C -0.0082 -0.0070 -0.0088 1856 TYR 252 O -0.0077 -0.0077 -0.0090 1857 ILE 253 N -0.0159 0.0123 -0.0071 1858 ILE 253 H -0.0142 0.0089 -0.0077 1859 ILE 253 CA -0.0151 0.0137 -0.0059 1860 ILE 253 CB -0.0113 0.0164 -0.0020 1861 ILE 253 CG2 -0.0129 0.0218 -0.0004 1862 ILE 253 CG1 -0.0065 0.0135 -0.0004 1863 ILE 253 CD1 -0.0026 0.0158 0.0033 1864 ILE 253 C -0.0145 0.0092 -0.0077 1865 ILE 253 O -0.0138 0.0050 -0.0094 1866 SER 254 N -0.0146 0.0101 -0.0073 1867 SER 254 H -0.0151 0.0135 -0.0060 1868 SER 254 CA -0.0142 0.0065 -0.0089 1869 SER 254 CB -0.0151 0.0090 -0.0082 1870 SER 254 OG -0.0118 0.0117 -0.0047 1871 SER 254 HG -0.0128 0.0134 -0.0045 1872 SER 254 C -0.0097 0.0025 -0.0080 1873 SER 254 O -0.0094 -0.0011 -0.0096 1874 ARG 255 N -0.0088 0.0104 -0.0012 1875 ARG 255 H -0.0105 0.0169 0.0021 1876 ARG 255 CA -0.0046 0.0037 0.0039 1877 ARG 255 CB -0.0032 0.0072 0.0144 1878 ARG 255 CG -0.0018 0.0084 0.0215 1879 ARG 255 CD -0.0001 0.0113 0.0321 1880 ARG 255 NE 0.0011 0.0122 0.0380 1881 ARG 255 HE 0.0010 0.0103 0.0347 1882 ARG 255 CZ 0.0023 0.0156 0.0476 1883 ARG 255 NH1 0.0025 0.0185 0.0526 1884 ARG 255 1HH1 0.0017 0.0181 0.0492 1885 ARG 255 2HH1 0.0034 0.0209 0.0596 1886 ARG 255 NH2 0.0035 0.0160 0.0525 1887 ARG 255 1HH2 0.0034 0.0139 0.0490 1888 ARG 255 2HH2 0.0045 0.0182 0.0596 1889 ARG 255 C -0.0044 -0.0003 -0.0016 1890 ARG 255 O -0.0009 -0.0070 0.0013 1891 ARG 256 N -0.0083 0.0038 -0.0095 1892 ARG 256 H -0.0111 0.0094 -0.0115 1893 ARG 256 CA -0.0086 0.0006 -0.0155 1894 ARG 256 CB -0.0129 0.0085 -0.0194 1895 ARG 256 CG -0.0131 0.0142 -0.0115 1896 ARG 256 CD -0.0095 0.0085 -0.0068 1897 ARG 256 NE -0.0100 0.0047 -0.0146 1898 ARG 256 HE -0.0128 0.0072 -0.0211 1899 ARG 256 CZ -0.0068 -0.0022 -0.0129 1900 ARG 256 NH1 -0.0029 -0.0057 -0.0040 1901 ARG 256 1HH1 -0.0024 -0.0033 0.0015 1902 ARG 256 2HH1 -0.0005 -0.0109 -0.0030 1903 ARG 256 NH2 -0.0073 -0.0056 -0.0203 1904 ARG 256 1HH2 -0.0101 -0.0033 -0.0269 1905 ARG 256 2HH2 -0.0049 -0.0108 -0.0192 1906 ARG 256 C -0.0078 -0.0067 -0.0238 1907 ARG 256 O -0.0082 -0.0096 -0.0297 1908 LEU 257 N -0.0045 0.0028 -0.0176 1909 LEU 257 H -0.0046 0.0018 -0.0189 1910 LEU 257 CA -0.0043 0.0053 -0.0149 1911 LEU 257 CB -0.0042 0.0058 -0.0143 1912 LEU 257 CG -0.0029 0.0028 -0.0128 1913 LEU 257 CD1 -0.0030 0.0032 -0.0127 1914 LEU 257 CD2 -0.0016 0.0023 -0.0093 1915 LEU 257 C -0.0054 0.0086 -0.0155 1916 LEU 257 O -0.0051 0.0104 -0.0131 1917 LEU 258 N -0.0067 0.0094 -0.0186 1918 LEU 258 H -0.0069 0.0079 -0.0204 1919 LEU 258 CA -0.0079 0.0123 -0.0198 1920 LEU 258 CB -0.0078 0.0123 -0.0195 1921 LEU 258 CG -0.0076 0.0093 -0.0215 1922 LEU 258 CD1 -0.0073 0.0094 -0.0206 1923 LEU 258 CD2 -0.0088 0.0092 -0.0252 1924 LEU 258 C -0.0084 0.0158 -0.0185 1925 LEU 258 O -0.0095 0.0174 -0.0203 1926 GLY 259 N -0.0137 0.0207 -0.0219 1927 GLY 259 H -0.0089 0.0191 -0.0182 1928 GLY 259 CA -0.0152 0.0281 -0.0183 1929 GLY 259 C -0.0144 0.0250 -0.0197 1930 GLY 259 O -0.0191 0.0298 -0.0210 1931 THR 260 N -0.0085 0.0168 -0.0193 1932 THR 260 H -0.0050 0.0133 -0.0182 1933 THR 260 CA -0.0065 0.0122 -0.0204 1934 THR 260 CB -0.0118 0.0076 -0.0291 1935 THR 260 CG2 -0.0113 0.0002 -0.0337 1936 THR 260 OG1 -0.0197 0.0140 -0.0326 1937 THR 260 HG1 -0.0198 0.0175 -0.0303 1938 THR 260 C -0.0051 0.0177 -0.0153 1939 THR 260 O -0.0050 0.0151 -0.0169 1940 PHE 261 N 0.0007 0.0187 -0.0149 1941 PHE 261 H -0.0010 0.0196 -0.0174 1942 PHE 261 CA 0.0051 0.0208 -0.0135 1943 PHE 261 CB 0.0064 0.0244 -0.0166 1944 PHE 261 CG 0.0110 0.0268 -0.0153 1945 PHE 261 CD1 0.0135 0.0286 -0.0152 1946 PHE 261 CE1 0.0178 0.0308 -0.0140 1947 PHE 261 CZ 0.0197 0.0312 -0.0129 1948 PHE 261 CE2 0.0172 0.0295 -0.0130 1949 PHE 261 CD2 0.0129 0.0273 -0.0142 1950 PHE 261 C 0.0061 0.0185 -0.0099 1951 PHE 261 O 0.0039 0.0169 -0.0101 1952 THR 262 N 0.0094 0.0182 -0.0066 1953 THR 262 H 0.0113 0.0194 -0.0064 1954 THR 262 CA 0.0104 0.0159 -0.0032 1955 THR 262 CB 0.0104 0.0129 0.0004 1956 THR 262 CG2 0.0113 0.0104 0.0040 1957 THR 262 OG1 0.0064 0.0107 -0.0006 1958 THR 262 HG1 0.0061 0.0122 -0.0026 1959 THR 262 C 0.0145 0.0182 -0.0022 1960 THR 262 O 0.0176 0.0202 -0.0018 1961 TRP 263 N 0.0059 0.0113 0.0001 1962 TRP 263 H 0.0051 0.0120 0.0001 1963 TRP 263 CA 0.0067 0.0111 -0.0011 1964 TRP 263 CB 0.0064 0.0119 -0.0025 1965 TRP 263 CG 0.0064 0.0122 -0.0033 1966 TRP 263 CD1 0.0056 0.0130 -0.0035 1967 TRP 263 NE1 0.0060 0.0130 -0.0043 1968 TRP 263 HE1 0.0055 0.0134 -0.0046 1969 TRP 263 CE2 0.0071 0.0122 -0.0047 1970 TRP 263 CZ2 0.0080 0.0119 -0.0056 1971 TRP 263 CH2 0.0091 0.0110 -0.0058 1972 TRP 263 CZ3 0.0094 0.0105 -0.0052 1973 TRP 263 CE3 0.0086 0.0109 -0.0043 1974 TRP 263 CD2 0.0075 0.0117 -0.0041 1975 TRP 263 C 0.0070 0.0107 -0.0007 1976 TRP 263 O 0.0063 0.0112 -0.0006 1977 THR 264 N 0.0081 0.0098 -0.0004 1978 THR 264 H 0.0086 0.0094 -0.0005 1979 THR 264 CA 0.0085 0.0093 -0.0000 1980 THR 264 CB 0.0094 0.0082 0.0008 1981 THR 264 CG2 0.0099 0.0077 0.0013 1982 THR 264 OG1 0.0089 0.0082 0.0019 1983 THR 264 HG1 0.0088 0.0084 0.0016 1984 THR 264 C 0.0090 0.0094 -0.0013 1985 THR 264 O 0.0095 0.0094 -0.0024 1986 LEU 265 N 0.0008 0.0018 0.0006 1987 LEU 265 H 0.0014 0.0023 -0.0004 1988 LEU 265 CA 0.0004 0.0017 0.0002 1989 LEU 265 CB 0.0016 0.0026 -0.0010 1990 LEU 265 CG 0.0035 0.0030 -0.0001 1991 LEU 265 CD1 0.0047 0.0039 -0.0014 1992 LEU 265 CD2 0.0037 0.0026 0.0017 1993 LEU 265 C -0.0015 0.0013 -0.0008 1994 LEU 265 O -0.0023 0.0010 -0.0007 1995 SER 266 N -0.0020 0.0014 -0.0017 1996 SER 266 H -0.0013 0.0017 -0.0018 1997 SER 266 CA -0.0037 0.0011 -0.0028 1998 SER 266 CB -0.0041 0.0011 -0.0035 1999 SER 266 OG -0.0030 0.0019 -0.0048 2000 SER 266 HG -0.0034 0.0019 -0.0052 2001 SER 266 C -0.0052 0.0002 -0.0017 2002 SER 266 O -0.0065 -0.0001 -0.0023 2003 ASP 267 N -0.0043 0.0007 -0.0051 2004 ASP 267 H -0.0037 0.0011 -0.0047 2005 ASP 267 CA -0.0042 -0.0009 -0.0053 2006 ASP 267 CB -0.0031 -0.0018 -0.0047 2007 ASP 267 CG -0.0018 -0.0015 -0.0038 2008 ASP 267 OD1 -0.0016 -0.0009 -0.0036 2009 ASP 267 OD2 -0.0008 -0.0019 -0.0032 2010 ASP 267 C -0.0055 -0.0016 -0.0063 2011 ASP 267 O -0.0059 -0.0025 -0.0067 2012 SER 268 N -0.0060 -0.0010 -0.0066 2013 SER 268 H -0.0057 -0.0002 -0.0062 2014 SER 268 CA -0.0072 -0.0016 -0.0075 2015 SER 268 CB -0.0076 -0.0009 -0.0076 2016 SER 268 OG -0.0067 -0.0014 -0.0071 2017 SER 268 HG -0.0069 -0.0008 -0.0071 2018 SER 268 C -0.0083 -0.0011 -0.0082 2019 SER 268 O -0.0092 -0.0020 -0.0088 2020 GLU 269 N -0.0077 0.0001 -0.0019 2021 GLU 269 H -0.0068 -0.0007 -0.0038 2022 GLU 269 CA -0.0081 0.0002 -0.0025 2023 GLU 269 CB -0.0060 -0.0014 -0.0051 2024 GLU 269 CG -0.0027 -0.0031 -0.0036 2025 GLU 269 CD -0.0025 -0.0027 -0.0008 2026 GLU 269 OE1 -0.0018 -0.0027 0.0022 2027 GLU 269 OE2 -0.0031 -0.0025 -0.0017 2028 GLU 269 C -0.0113 0.0018 -0.0036 2029 GLU 269 O -0.0120 0.0022 -0.0034 2030 GLY 270 N -0.0133 0.0028 -0.0047 2031 GLY 270 H -0.0127 0.0024 -0.0048 2032 GLY 270 CA -0.0165 0.0044 -0.0057 2033 GLY 270 C -0.0172 0.0042 -0.0094 2034 GLY 270 O -0.0198 0.0055 -0.0106 2035 LYS 271 N -0.0184 0.0133 0.0047 2036 LYS 271 H -0.0120 0.0121 0.0069 2037 LYS 271 CA -0.0213 0.0071 -0.0040 2038 LYS 271 CB -0.0163 0.0025 -0.0066 2039 LYS 271 CG -0.0209 0.0054 -0.0058 2040 LYS 271 CD -0.0168 0.0107 0.0026 2041 LYS 271 CE -0.0204 0.0126 0.0029 2042 LYS 271 NZ -0.0173 0.0059 -0.0032 2043 LYS 271 HZ1 -0.0097 0.0040 -0.0013 2044 LYS 271 HZ2 -0.0195 0.0020 -0.0089 2045 LYS 271 HZ3 -0.0205 0.0072 -0.0035 2046 LYS 271 C -0.0182 0.0018 -0.0085 2047 LYS 271 O -0.0113 0.0016 -0.0049 2048 GLU 272 N -0.0235 -0.0026 -0.0164 2049 GLU 272 H -0.0291 -0.0022 -0.0190 2050 GLU 272 CA -0.0215 -0.0082 -0.0218 2051 GLU 272 CB -0.0293 -0.0118 -0.0302 2052 GLU 272 CG -0.0394 -0.0068 -0.0299 2053 GLU 272 CD -0.0461 -0.0112 -0.0387 2054 GLU 272 OE1 -0.0437 -0.0170 -0.0440 2055 GLU 272 OE2 -0.0539 -0.0090 -0.0403 2056 GLU 272 C -0.0119 -0.0142 -0.0235 2057 GLU 272 O -0.0061 -0.0170 -0.0235 2058 THR 273 N -0.0128 -0.0131 -0.0129 2059 THR 273 H -0.0139 -0.0113 -0.0127 2060 THR 273 CA -0.0090 -0.0167 -0.0122 2061 THR 273 CB -0.0096 -0.0207 -0.0148 2062 THR 273 CG2 -0.0122 -0.0231 -0.0180 2063 THR 273 OG1 -0.0115 -0.0195 -0.0155 2064 THR 273 HG1 -0.0110 -0.0222 -0.0167 2065 THR 273 C -0.0057 -0.0148 -0.0089 2066 THR 273 O -0.0048 -0.0155 -0.0087 2067 PRO 274 N -0.0039 -0.0122 -0.0062 2068 PRO 274 CA -0.0007 -0.0102 -0.0029 2069 PRO 274 CB -0.0012 -0.0061 -0.0010 2070 PRO 274 CG -0.0026 -0.0075 -0.0027 2071 PRO 274 CD -0.0047 -0.0113 -0.0062 2072 PRO 274 C 0.0036 -0.0136 -0.0018 2073 PRO 274 O 0.0038 -0.0176 -0.0038 2074 GLY 275 N 0.0047 -0.0134 0.0001 2075 GLY 275 H 0.0049 -0.0129 -0.0000 2076 GLY 275 CA 0.0045 -0.0141 0.0008 2077 GLY 275 C 0.0039 -0.0147 0.0002 2078 GLY 275 O 0.0037 -0.0145 -0.0006 2079 GLY 276 N 0.0036 -0.0154 0.0007 2080 GLY 276 H 0.0038 -0.0155 0.0013 2081 GLY 276 CA 0.0030 -0.0159 0.0002 2082 GLY 276 C 0.0031 -0.0157 -0.0002 2083 GLY 276 O 0.0034 -0.0155 0.0003 2084 TYR 277 N 0.0008 -0.0174 0.0001 2085 TYR 277 H -0.0005 -0.0180 -0.0004 2086 TYR 277 CA 0.0009 -0.0159 -0.0017 2087 TYR 277 CB -0.0009 -0.0154 -0.0040 2088 TYR 277 CG -0.0008 -0.0137 -0.0060 2089 TYR 277 CD1 0.0011 -0.0117 -0.0066 2090 TYR 277 CE1 0.0013 -0.0101 -0.0084 2091 TYR 277 CZ -0.0005 -0.0104 -0.0096 2092 TYR 277 OH -0.0003 -0.0087 -0.0114 2093 TYR 277 HH 0.0011 -0.0076 -0.0116 2094 TYR 277 CE2 -0.0025 -0.0123 -0.0090 2095 TYR 277 CD2 -0.0026 -0.0139 -0.0072 2096 TYR 277 C 0.0004 -0.0167 -0.0012 2097 TYR 277 O -0.0013 -0.0183 -0.0008 2098 CYS 278 N 0.0021 -0.0154 -0.0013 2099 CYS 278 H 0.0034 -0.0141 -0.0016 2100 CYS 278 CA 0.0020 -0.0159 -0.0008 2101 CYS 278 CB 0.0044 -0.0151 0.0004 2102 CYS 278 SG 0.0060 -0.0162 0.0031 2103 CYS 278 C 0.0007 -0.0151 -0.0029 2104 CYS 278 O 0.0011 -0.0133 -0.0046 2105 LEU 279 N -0.0034 -0.0195 -0.0048 2106 LEU 279 H -0.0038 -0.0201 -0.0039 2107 LEU 279 CA -0.0044 -0.0189 -0.0061 2108 LEU 279 CB -0.0063 -0.0193 -0.0059 2109 LEU 279 CG -0.0072 -0.0194 -0.0060 2110 LEU 279 CD1 -0.0064 -0.0198 -0.0050 2111 LEU 279 CD2 -0.0090 -0.0198 -0.0058 2112 LEU 279 C -0.0038 -0.0185 -0.0066 2113 LEU 279 O -0.0038 -0.0190 -0.0058 2114 THR 280 N -0.0033 -0.0177 -0.0080 2115 THR 280 H -0.0034 -0.0174 -0.0085 2116 THR 280 CA -0.0026 -0.0171 -0.0087 2117 THR 280 CB -0.0018 -0.0162 -0.0101 2118 THR 280 CG2 -0.0004 -0.0163 -0.0096 2119 THR 280 OG1 -0.0030 -0.0159 -0.0111 2120 THR 280 HG1 -0.0032 -0.0155 -0.0118 2121 THR 280 C -0.0038 -0.0171 -0.0091 2122 THR 280 O -0.0053 -0.0173 -0.0092 2123 ARG 281 N 0.0020 -0.0241 -0.0112 2124 ARG 281 H 0.0047 -0.0201 -0.0082 2125 ARG 281 CA 0.0080 -0.0270 -0.0074 2126 ARG 281 CB 0.0175 -0.0240 0.0006 2127 ARG 281 CG 0.0180 -0.0117 0.0041 2128 ARG 281 CD 0.0277 -0.0091 0.0120 2129 ARG 281 NE 0.0270 0.0029 0.0145 2130 ARG 281 HE 0.0271 0.0050 0.0151 2131 ARG 281 CZ 0.0262 0.0111 0.0160 2132 ARG 281 NH1 0.0260 0.0088 0.0152 2133 ARG 281 1HH1 0.0262 0.0011 0.0135 2134 ARG 281 2HH1 0.0255 0.0150 0.0164 2135 ARG 281 NH2 0.0257 0.0217 0.0183 2136 ARG 281 1HH2 0.0259 0.0234 0.0189 2137 ARG 281 2HH2 0.0252 0.0279 0.0194 2138 ARG 281 C 0.0041 -0.0221 -0.0091 2139 ARG 281 O 0.0062 -0.0270 -0.0088 2140 TRP 282 N -0.0016 -0.0124 -0.0110 2141 TRP 282 H -0.0031 -0.0085 -0.0111 2142 TRP 282 CA -0.0059 -0.0070 -0.0128 2143 TRP 282 CB -0.0108 0.0047 -0.0136 2144 TRP 282 CG -0.0046 0.0130 -0.0068 2145 TRP 282 CD1 -0.0030 0.0172 -0.0046 2146 TRP 282 NE1 0.0028 0.0248 0.0018 2147 TRP 282 HE1 0.0050 0.0289 0.0044 2148 TRP 282 CE2 0.0052 0.0256 0.0038 2149 TRP 282 CZ2 0.0109 0.0321 0.0097 2150 TRP 282 CH2 0.0120 0.0312 0.0103 2151 TRP 282 CZ3 0.0075 0.0239 0.0051 2152 TRP 282 CE3 0.0017 0.0174 -0.0009 2153 TRP 282 CD2 0.0007 0.0184 -0.0015 2154 TRP 282 C -0.0128 -0.0135 -0.0198 2155 TRP 282 O -0.0133 -0.0153 -0.0205 2156 MET 283 N -0.0084 -0.0175 -0.0133 2157 MET 283 H -0.0068 -0.0176 -0.0125 2158 MET 283 CA -0.0107 -0.0185 -0.0132 2159 MET 283 CB -0.0103 -0.0193 -0.0122 2160 MET 283 CG -0.0127 -0.0202 -0.0123 2161 MET 283 SD -0.0146 -0.0186 -0.0148 2162 MET 283 CE -0.0176 -0.0204 -0.0141 2163 MET 283 C -0.0123 -0.0201 -0.0121 2164 MET 283 O -0.0146 -0.0207 -0.0126 2165 LEU 284 N -0.0109 -0.0211 -0.0105 2166 LEU 284 H -0.0090 -0.0207 -0.0101 2167 LEU 284 CA -0.0120 -0.0228 -0.0092 2168 LEU 284 CB -0.0103 -0.0241 -0.0070 2169 LEU 284 CG -0.0097 -0.0248 -0.0060 2170 LEU 284 CD1 -0.0079 -0.0261 -0.0039 2171 LEU 284 CD2 -0.0121 -0.0257 -0.0061 2172 LEU 284 C -0.0124 -0.0223 -0.0098 2173 LEU 284 O -0.0113 -0.0208 -0.0110 2174 ILE 285 N -0.0177 -0.0276 -0.0070 2175 ILE 285 H -0.0187 -0.0280 -0.0043 2176 ILE 285 CA -0.0211 -0.0277 -0.0087 2177 ILE 285 CB -0.0262 -0.0285 -0.0071 2178 ILE 285 CG2 -0.0267 -0.0292 -0.0017 2179 ILE 285 CG1 -0.0300 -0.0285 -0.0101 2180 ILE 285 CD1 -0.0304 -0.0279 -0.0153 2181 ILE 285 C -0.0195 -0.0278 -0.0073 2182 ILE 285 O -0.0206 -0.0276 -0.0097 2183 GLU 286 N -0.0169 -0.0280 -0.0031 2184 GLU 286 H -0.0162 -0.0282 -0.0012 2185 GLU 286 CA -0.0151 -0.0280 -0.0011 2186 GLU 286 CB -0.0150 -0.0287 0.0044 2187 GLU 286 CG -0.0201 -0.0295 0.0064 2188 GLU 286 CD -0.0199 -0.0302 0.0118 2189 GLU 286 OE1 -0.0175 -0.0302 0.0141 2190 GLU 286 OE2 -0.0222 -0.0307 0.0139 2191 GLU 286 C -0.0103 -0.0273 -0.0028 2192 GLU 286 O -0.0074 -0.0268 -0.0046 2193 ALA 287 N 0.0008 -0.0340 0.0062 2194 ALA 287 H 0.0008 -0.0372 0.0084 2195 ALA 287 CA 0.0039 -0.0294 0.0081 2196 ALA 287 CB 0.0062 -0.0303 0.0129 2197 ALA 287 C 0.0052 -0.0274 0.0091 2198 ALA 287 O 0.0068 -0.0228 0.0086 2199 GLU 288 N 0.0048 -0.0309 0.0108 2200 GLU 288 H 0.0035 -0.0347 0.0113 2201 GLU 288 CA 0.0059 -0.0296 0.0118 2202 GLU 288 CB 0.0061 -0.0338 0.0152 2203 GLU 288 CG 0.0084 -0.0352 0.0203 2204 GLU 288 CD 0.0085 -0.0393 0.0236 2205 GLU 288 OE1 0.0068 -0.0412 0.0219 2206 GLU 288 OE2 0.0105 -0.0406 0.0279 2207 GLU 288 C 0.0039 -0.0283 0.0073 2208 GLU 288 O 0.0010 -0.0308 0.0041 2209 LEU 289 N 0.0004 -0.0219 -0.0018 2210 LEU 289 H 0.0021 -0.0222 -0.0021 2211 LEU 289 CA 0.0001 -0.0224 -0.0009 2212 LEU 289 CB 0.0026 -0.0230 -0.0011 2213 LEU 289 CG 0.0033 -0.0219 -0.0032 2214 LEU 289 CD1 0.0037 -0.0206 -0.0053 2215 LEU 289 CD2 0.0055 -0.0227 -0.0029 2216 LEU 289 C -0.0008 -0.0236 0.0015 2217 LEU 289 O 0.0002 -0.0246 0.0026 2218 LYS 290 N -0.0026 -0.0236 0.0024 2219 LYS 290 H -0.0032 -0.0229 0.0015 2220 LYS 290 CA -0.0036 -0.0248 0.0047 2221 LYS 290 CB -0.0064 -0.0244 0.0053 2222 LYS 290 CG -0.0070 -0.0238 0.0047 2223 LYS 290 CD -0.0097 -0.0232 0.0052 2224 LYS 290 CE -0.0100 -0.0229 0.0047 2225 LYS 290 NZ -0.0126 -0.0224 0.0052 2226 LYS 290 HZ1 -0.0135 -0.0212 0.0039 2227 LYS 290 HZ2 -0.0136 -0.0230 0.0066 2228 LYS 290 HZ3 -0.0127 -0.0225 0.0055 2229 LYS 290 C -0.0027 -0.0258 0.0059 2230 LYS 290 O -0.0032 -0.0254 0.0054 2231 CYS 291 N -0.0037 -0.0146 -0.0013 2232 CYS 291 H -0.0045 -0.0140 -0.0018 2233 CYS 291 CA -0.0028 -0.0149 -0.0005 2234 CYS 291 CB -0.0033 -0.0150 -0.0011 2235 CYS 291 SG -0.0040 -0.0165 -0.0024 2236 CYS 291 C -0.0022 -0.0137 0.0006 2237 CYS 291 O -0.0027 -0.0124 0.0007 2238 PHE 292 N -0.0011 -0.0142 0.0016 2239 PHE 292 H -0.0007 -0.0152 0.0015 2240 PHE 292 CA -0.0004 -0.0132 0.0027 2241 PHE 292 CB 0.0006 -0.0136 0.0036 2242 PHE 292 CG 0.0001 -0.0132 0.0033 2243 PHE 292 CD1 -0.0001 -0.0142 0.0025 2244 PHE 292 CE1 -0.0006 -0.0138 0.0022 2245 PHE 292 CZ -0.0008 -0.0123 0.0027 2246 PHE 292 CE2 -0.0005 -0.0113 0.0034 2247 PHE 292 CD2 -0.0001 -0.0117 0.0037 2248 PHE 292 C 0.0001 -0.0133 0.0032 2249 PHE 292 O -0.0002 -0.0139 0.0025 2250 GLY 293 N 0.0063 -0.0071 -0.0039 2251 GLY 293 H 0.0057 -0.0059 -0.0030 2252 GLY 293 CA 0.0062 -0.0095 -0.0035 2253 GLY 293 C 0.0051 -0.0105 -0.0017 2254 GLY 293 O 0.0044 -0.0092 -0.0007 2255 ASN 294 N 0.0049 -0.0128 -0.0012 2256 ASN 294 H 0.0055 -0.0137 -0.0021 2257 ASN 294 CA 0.0040 -0.0142 0.0004 2258 ASN 294 CB 0.0040 -0.0168 0.0005 2259 ASN 294 CG 0.0052 -0.0182 -0.0014 2260 ASN 294 OD1 0.0060 -0.0178 -0.0026 2261 ASN 294 ND2 0.0055 -0.0201 -0.0016 2262 ASN 294 1HD2 0.0063 -0.0212 -0.0028 2263 ASN 294 2HD2 0.0048 -0.0204 -0.0006 2264 ASN 294 C 0.0027 -0.0131 0.0024 2265 ASN 294 O 0.0018 -0.0128 0.0037 2266 THR 295 N 0.0041 -0.0065 0.0050 2267 THR 295 H 0.0034 -0.0059 0.0043 2268 THR 295 CA 0.0042 -0.0052 0.0066 2269 THR 295 CB 0.0032 -0.0032 0.0067 2270 THR 295 CG2 0.0033 -0.0017 0.0083 2271 THR 295 OG1 0.0034 -0.0032 0.0070 2272 THR 295 HG1 0.0033 -0.0041 0.0059 2273 THR 295 C 0.0040 -0.0052 0.0063 2274 THR 295 O 0.0047 -0.0051 0.0077 2275 ALA 296 N 0.0033 -0.0055 0.0045 2276 ALA 296 H 0.0028 -0.0057 0.0033 2277 ALA 296 CA 0.0031 -0.0055 0.0040 2278 ALA 296 CB 0.0020 -0.0054 0.0019 2279 ALA 296 C 0.0042 -0.0072 0.0045 2280 ALA 296 O 0.0043 -0.0071 0.0049 2281 VAL 297 N 0.0064 -0.0075 -0.0031 2282 VAL 297 H 0.0060 -0.0076 -0.0039 2283 VAL 297 CA 0.0059 -0.0081 -0.0022 2284 VAL 297 CB 0.0049 -0.0089 -0.0025 2285 VAL 297 CG1 0.0044 -0.0097 -0.0014 2286 VAL 297 CG2 0.0049 -0.0089 -0.0028 2287 VAL 297 C 0.0059 -0.0082 -0.0018 2288 VAL 297 O 0.0062 -0.0082 -0.0008 2289 ALA 298 N 0.0057 -0.0082 -0.0027 2290 ALA 298 H 0.0055 -0.0082 -0.0035 2291 ALA 298 CA 0.0056 -0.0083 -0.0025 2292 ALA 298 CB 0.0053 -0.0083 -0.0036 2293 ALA 298 C 0.0064 -0.0077 -0.0019 2294 ALA 298 O 0.0064 -0.0079 -0.0011 2295 LYS 299 N 0.0053 -0.0019 0.0097 2296 LYS 299 H 0.0052 -0.0016 0.0085 2297 LYS 299 CA 0.0034 -0.0003 0.0112 2298 LYS 299 CB 0.0018 0.0013 0.0118 2299 LYS 299 CG 0.0022 0.0004 0.0139 2300 LYS 299 CD 0.0005 0.0019 0.0148 2301 LYS 299 CE 0.0010 0.0009 0.0171 2302 LYS 299 NZ -0.0007 0.0024 0.0181 2303 LYS 299 HZ1 -0.0019 0.0037 0.0183 2304 LYS 299 HZ2 -0.0005 0.0018 0.0199 2305 LYS 299 HZ3 -0.0007 0.0028 0.0167 2306 LYS 299 C 0.0027 0.0007 0.0100 2307 LYS 299 O 0.0019 0.0012 0.0117 2308 CYS 300 N 0.0030 0.0011 0.0073 2309 CYS 300 H 0.0036 0.0007 0.0060 2310 CYS 300 CA 0.0023 0.0021 0.0060 2311 CYS 300 CB 0.0025 0.0027 0.0029 2312 CYS 300 SG 0.0007 0.0048 0.0019 2313 CYS 300 C 0.0033 0.0009 0.0066 2314 CYS 300 O 0.0025 0.0018 0.0066 2315 ASN 301 N 0.0045 0.0023 0.0021 2316 ASN 301 H 0.0042 0.0019 0.0006 2317 ASN 301 CA 0.0060 -0.0006 0.0040 2318 ASN 301 CB 0.0069 -0.0036 0.0040 2319 ASN 301 CG 0.0065 -0.0057 0.0004 2320 ASN 301 OD1 0.0061 -0.0062 -0.0018 2321 ASN 301 ND2 0.0067 -0.0068 -0.0004 2322 ASN 301 1HD2 0.0065 -0.0082 -0.0027 2323 ASN 301 2HD2 0.0070 -0.0063 0.0015 2324 ASN 301 C 0.0068 0.0005 0.0079 2325 ASN 301 O 0.0074 -0.0002 0.0093 2326 GLU 302 N 0.0066 0.0025 0.0096 2327 GLU 302 H 0.0061 0.0031 0.0084 2328 GLU 302 CA 0.0073 0.0037 0.0134 2329 GLU 302 CB 0.0077 0.0042 0.0151 2330 GLU 302 CG 0.0088 0.0007 0.0151 2331 GLU 302 CD 0.0091 0.0013 0.0167 2332 GLU 302 OE1 0.0083 0.0044 0.0176 2333 GLU 302 OE2 0.0100 -0.0014 0.0169 2334 GLU 302 C 0.0065 0.0072 0.0142 2335 GLU 302 O 0.0071 0.0076 0.0167 2336 LYS 303 N 0.0055 0.0068 0.0147 2337 LYS 303 H 0.0054 0.0070 0.0153 2338 LYS 303 CA 0.0035 0.0066 0.0145 2339 LYS 303 CB 0.0015 0.0069 0.0157 2340 LYS 303 CG 0.0016 0.0078 0.0180 2341 LYS 303 CD -0.0005 0.0080 0.0191 2342 LYS 303 CE -0.0005 0.0089 0.0214 2343 LYS 303 NZ -0.0026 0.0091 0.0223 2344 LYS 303 HZ1 -0.0028 0.0091 0.0225 2345 LYS 303 HZ2 -0.0039 0.0086 0.0214 2346 LYS 303 HZ3 -0.0028 0.0096 0.0237 2347 LYS 303 C 0.0027 0.0058 0.0125 2348 LYS 303 O 0.0027 0.0053 0.0110 2349 HIS 304 N 0.0020 0.0057 0.0124 2350 HIS 304 H 0.0020 0.0062 0.0136 2351 HIS 304 CA 0.0010 0.0050 0.0106 2352 HIS 304 CB 0.0023 0.0049 0.0099 2353 HIS 304 CG 0.0045 0.0047 0.0090 2354 HIS 304 ND1 0.0063 0.0052 0.0102 2355 HIS 304 CE1 0.0080 0.0048 0.0088 2356 HIS 304 NE2 0.0073 0.0041 0.0069 2357 HIS 304 CD2 0.0052 0.0040 0.0070 2358 HIS 304 C -0.0013 0.0051 0.0111 2359 HIS 304 O -0.0025 0.0045 0.0097 2360 ASP 305 N 0.0005 0.0052 0.0139 2361 ASP 305 H 0.0015 0.0054 0.0150 2362 ASP 305 CA -0.0019 0.0061 0.0146 2363 ASP 305 CB -0.0019 0.0071 0.0172 2364 ASP 305 CG -0.0010 0.0073 0.0184 2365 ASP 305 OD1 0.0011 0.0067 0.0182 2366 ASP 305 OD2 -0.0023 0.0081 0.0195 2367 ASP 305 C -0.0038 0.0062 0.0136 2368 ASP 305 O -0.0058 0.0067 0.0136 2369 GLU 306 N -0.0033 0.0058 0.0128 2370 GLU 306 H -0.0017 0.0054 0.0128 2371 GLU 306 CA -0.0051 0.0058 0.0117 2372 GLU 306 CB -0.0050 0.0061 0.0126 2373 GLU 306 CG -0.0053 0.0072 0.0151 2374 GLU 306 CD -0.0078 0.0080 0.0157 2375 GLU 306 OE1 -0.0095 0.0079 0.0141 2376 GLU 306 OE2 -0.0081 0.0089 0.0177 2377 GLU 306 C -0.0051 0.0049 0.0092 2378 GLU 306 O -0.0032 0.0040 0.0083 2379 GLU 307 N -0.0059 0.0011 0.0059 2380 GLU 307 H -0.0066 0.0016 0.0063 2381 GLU 307 CA -0.0061 0.0007 0.0046 2382 GLU 307 CB -0.0073 0.0012 0.0041 2383 GLU 307 CG -0.0077 0.0016 0.0046 2384 GLU 307 CD -0.0082 0.0022 0.0059 2385 GLU 307 OE1 -0.0081 0.0024 0.0065 2386 GLU 307 OE2 -0.0085 0.0026 0.0063 2387 GLU 307 C -0.0057 0.0002 0.0037 2388 GLU 307 O -0.0053 -0.0004 0.0028 2389 PHE 308 N -0.0057 0.0003 0.0041 2390 PHE 308 H -0.0060 0.0008 0.0049 2391 PHE 308 CA -0.0054 -0.0001 0.0034 2392 PHE 308 CB -0.0057 0.0003 0.0040 2393 PHE 308 CG -0.0054 -0.0002 0.0031 2394 PHE 308 CD1 -0.0061 -0.0003 0.0019 2395 PHE 308 CE1 -0.0058 -0.0006 0.0012 2396 PHE 308 CZ -0.0050 -0.0009 0.0016 2397 PHE 308 CE2 -0.0043 -0.0009 0.0028 2398 PHE 308 CD2 -0.0045 -0.0005 0.0036 2399 PHE 308 C -0.0041 -0.0008 0.0033 2400 PHE 308 O -0.0037 -0.0013 0.0023 2401 CYS 309 N -0.0028 0.0039 0.0052 2402 CYS 309 H -0.0030 0.0046 0.0061 2403 CYS 309 CA -0.0012 0.0031 0.0052 2404 CYS 309 CB -0.0001 0.0035 0.0067 2405 CYS 309 SG -0.0003 0.0046 0.0083 2406 CYS 309 C -0.0007 0.0021 0.0040 2407 CYS 309 O 0.0001 0.0012 0.0032 2408 ASP 310 N -0.0014 0.0023 0.0038 2409 ASP 310 H -0.0022 0.0031 0.0044 2410 ASP 310 CA -0.0011 0.0015 0.0027 2411 ASP 310 CB -0.0018 0.0020 0.0030 2412 ASP 310 CG -0.0008 0.0024 0.0044 2413 ASP 310 OD1 0.0005 0.0021 0.0051 2414 ASP 310 OD2 -0.0014 0.0030 0.0049 2415 ASP 310 C -0.0018 0.0009 0.0012 2416 ASP 310 O -0.0011 -0.0001 0.0002 2417 MET 311 N -0.0056 -0.0043 -0.0028 2418 MET 311 H -0.0060 -0.0041 -0.0022 2419 MET 311 CA -0.0061 -0.0047 -0.0032 2420 MET 311 CB -0.0074 -0.0047 -0.0029 2421 MET 311 CG -0.0081 -0.0050 -0.0032 2422 MET 311 SD -0.0081 -0.0058 -0.0044 2423 MET 311 CE -0.0088 -0.0062 -0.0048 2424 MET 311 C -0.0055 -0.0046 -0.0032 2425 MET 311 O -0.0054 -0.0050 -0.0039 2426 LEU 312 N -0.0050 -0.0040 -0.0024 2427 LEU 312 H -0.0051 -0.0036 -0.0018 2428 LEU 312 CA -0.0043 -0.0038 -0.0023 2429 LEU 312 CB -0.0039 -0.0031 -0.0013 2430 LEU 312 CG -0.0048 -0.0028 -0.0005 2431 LEU 312 CD1 -0.0043 -0.0020 0.0004 2432 LEU 312 CD2 -0.0054 -0.0030 -0.0008 2433 LEU 312 C -0.0033 -0.0041 -0.0030 2434 LEU 312 O -0.0030 -0.0043 -0.0034 2435 ARG 313 N -0.0019 0.0035 -0.0021 2436 ARG 313 H -0.0023 0.0045 -0.0011 2437 ARG 313 CA 0.0002 0.0022 -0.0027 2438 ARG 313 CB 0.0016 0.0027 -0.0016 2439 ARG 313 CG 0.0027 0.0041 0.0004 2440 ARG 313 CD 0.0039 0.0047 0.0016 2441 ARG 313 NE 0.0046 0.0061 0.0036 2442 ARG 313 HE 0.0042 0.0065 0.0038 2443 ARG 313 CZ 0.0057 0.0070 0.0049 2444 ARG 313 NH1 0.0064 0.0064 0.0046 2445 ARG 313 1HH1 0.0061 0.0054 0.0033 2446 ARG 313 2HH1 0.0072 0.0070 0.0056 2447 ARG 313 NH2 0.0061 0.0084 0.0067 2448 ARG 313 1HH2 0.0056 0.0088 0.0070 2449 ARG 313 2HH2 0.0069 0.0090 0.0078 2450 ARG 313 C -0.0004 0.0007 -0.0047 2451 ARG 313 O 0.0008 -0.0006 -0.0057 2452 LEU 314 N -0.0023 0.0008 -0.0053 2453 LEU 314 H -0.0033 0.0019 -0.0045 2454 LEU 314 CA -0.0031 -0.0005 -0.0072 2455 LEU 314 CB -0.0053 -0.0002 -0.0077 2456 LEU 314 CG -0.0050 0.0004 -0.0069 2457 LEU 314 CD1 -0.0074 0.0009 -0.0073 2458 LEU 314 CD2 -0.0032 -0.0009 -0.0077 2459 LEU 314 C -0.0038 -0.0014 -0.0085 2460 LEU 314 O -0.0032 -0.0029 -0.0100 2461 PHE 315 N -0.0077 -0.0042 -0.0127 2462 PHE 315 H -0.0079 -0.0039 -0.0123 2463 PHE 315 CA -0.0078 -0.0042 -0.0128 2464 PHE 315 CB -0.0084 -0.0040 -0.0121 2465 PHE 315 CG -0.0085 -0.0041 -0.0122 2466 PHE 315 CD1 -0.0090 -0.0045 -0.0128 2467 PHE 315 CE1 -0.0091 -0.0046 -0.0129 2468 PHE 315 CZ -0.0088 -0.0043 -0.0125 2469 PHE 315 CE2 -0.0084 -0.0038 -0.0119 2470 PHE 315 CD2 -0.0083 -0.0037 -0.0118 2471 PHE 315 C -0.0070 -0.0041 -0.0129 2472 PHE 315 O -0.0069 -0.0044 -0.0133 2473 ASP 316 N -0.0064 -0.0037 -0.0125 2474 ASP 316 H -0.0065 -0.0035 -0.0122 2475 ASP 316 CA -0.0056 -0.0036 -0.0126 2476 ASP 316 CB -0.0050 -0.0031 -0.0121 2477 ASP 316 CG -0.0053 -0.0028 -0.0114 2478 ASP 316 OD1 -0.0049 -0.0024 -0.0108 2479 ASP 316 OD2 -0.0058 -0.0029 -0.0113 2480 ASP 316 C -0.0051 -0.0040 -0.0134 2481 ASP 316 O -0.0047 -0.0041 -0.0137 2482 PHE 317 N -0.0038 0.0058 -0.0122 2483 PHE 317 H -0.0035 0.0063 -0.0122 2484 PHE 317 CA -0.0028 0.0046 -0.0125 2485 PHE 317 CB -0.0014 0.0042 -0.0129 2486 PHE 317 CG -0.0003 0.0032 -0.0132 2487 PHE 317 CD1 0.0007 0.0039 -0.0134 2488 PHE 317 CE1 0.0017 0.0029 -0.0138 2489 PHE 317 CZ 0.0018 0.0013 -0.0139 2490 PHE 317 CE2 0.0009 0.0007 -0.0137 2491 PHE 317 CD2 -0.0002 0.0016 -0.0134 2492 PHE 317 C -0.0038 0.0031 -0.0124 2493 PHE 317 O -0.0035 0.0022 -0.0125 2494 ASN 318 N -0.0049 0.0029 -0.0121 2495 ASN 318 H -0.0051 0.0036 -0.0120 2496 ASN 318 CA -0.0060 0.0015 -0.0119 2497 ASN 318 CB -0.0072 0.0017 -0.0116 2498 ASN 318 CG -0.0083 0.0003 -0.0114 2499 ASN 318 OD1 -0.0080 -0.0011 -0.0116 2500 ASN 318 ND2 -0.0098 0.0007 -0.0110 2501 ASN 318 1HD2 -0.0107 -0.0001 -0.0108 2502 ASN 318 2HD2 -0.0101 0.0018 -0.0108 2503 ASN 318 C -0.0069 0.0015 -0.0117 2504 ASN 318 O -0.0071 0.0003 -0.0117 2505 LYS 319 N -0.0067 0.0037 -0.0152 2506 LYS 319 H -0.0067 0.0035 -0.0153 2507 LYS 319 CA -0.0067 0.0040 -0.0150 2508 LYS 319 CB -0.0067 0.0040 -0.0150 2509 LYS 319 CG -0.0067 0.0043 -0.0148 2510 LYS 319 CD -0.0067 0.0042 -0.0148 2511 LYS 319 CE -0.0066 0.0046 -0.0146 2512 LYS 319 NZ -0.0066 0.0045 -0.0146 2513 LYS 319 HZ1 -0.0065 0.0042 -0.0145 2514 LYS 319 HZ2 -0.0068 0.0044 -0.0149 2515 LYS 319 HZ3 -0.0066 0.0047 -0.0145 2516 LYS 319 C -0.0069 0.0044 -0.0152 2517 LYS 319 O -0.0069 0.0047 -0.0150 2518 GLN 320 N -0.0071 0.0044 -0.0155 2519 GLN 320 H -0.0071 0.0042 -0.0157 2520 GLN 320 CA -0.0072 0.0047 -0.0157 2521 GLN 320 CB -0.0074 0.0047 -0.0160 2522 GLN 320 CG -0.0074 0.0047 -0.0161 2523 GLN 320 CD -0.0076 0.0046 -0.0164 2524 GLN 320 OE1 -0.0077 0.0046 -0.0167 2525 GLN 320 NE2 -0.0076 0.0046 -0.0165 2526 GLN 320 1HE2 -0.0077 0.0045 -0.0167 2527 GLN 320 2HE2 -0.0075 0.0046 -0.0162 2528 GLN 320 C -0.0073 0.0048 -0.0157 2529 GLN 320 O -0.0073 0.0052 -0.0157 2530 ALA 321 N -0.0055 0.0062 -0.0130 2531 ALA 321 H -0.0050 0.0059 -0.0134 2532 ALA 321 CA -0.0052 0.0059 -0.0123 2533 ALA 321 CB -0.0041 0.0052 -0.0126 2534 ALA 321 C -0.0053 0.0059 -0.0109 2535 ALA 321 O -0.0055 0.0061 -0.0103 2536 ILE 322 N -0.0051 0.0058 -0.0105 2537 ILE 322 H -0.0049 0.0056 -0.0110 2538 ILE 322 CA -0.0052 0.0057 -0.0092 2539 ILE 322 CB -0.0048 0.0054 -0.0089 2540 ILE 322 CG2 -0.0050 0.0055 -0.0075 2541 ILE 322 CG1 -0.0036 0.0047 -0.0091 2542 ILE 322 CD1 -0.0032 0.0043 -0.0091 2543 ILE 322 C -0.0062 0.0065 -0.0088 2544 ILE 322 O -0.0065 0.0066 -0.0078 2545 GLN 323 N -0.0099 0.0053 -0.0121 2546 GLN 323 H -0.0094 0.0063 -0.0135 2547 GLN 323 CA -0.0122 0.0046 -0.0119 2548 GLN 323 CB -0.0133 0.0055 -0.0137 2549 GLN 323 CG -0.0142 0.0064 -0.0156 2550 GLN 323 CD -0.0151 0.0073 -0.0175 2551 GLN 323 OE1 -0.0146 0.0076 -0.0176 2552 GLN 323 NE2 -0.0165 0.0080 -0.0190 2553 GLN 323 1HE2 -0.0171 0.0086 -0.0203 2554 GLN 323 2HE2 -0.0169 0.0078 -0.0189 2555 GLN 323 C -0.0119 0.0035 -0.0101 2556 GLN 323 O -0.0134 0.0024 -0.0089 2557 ARG 324 N -0.0100 0.0039 -0.0099 2558 ARG 324 H -0.0089 0.0048 -0.0109 2559 ARG 324 CA -0.0096 0.0030 -0.0083 2560 ARG 324 CB -0.0075 0.0037 -0.0086 2561 ARG 324 CG -0.0081 0.0047 -0.0104 2562 ARG 324 CD -0.0060 0.0055 -0.0107 2563 ARG 324 NE -0.0067 0.0065 -0.0126 2564 ARG 324 HE -0.0082 0.0067 -0.0135 2565 ARG 324 CZ -0.0053 0.0074 -0.0134 2566 ARG 324 NH1 -0.0032 0.0072 -0.0122 2567 ARG 324 1HH1 -0.0027 0.0065 -0.0109 2568 ARG 324 2HH1 -0.0023 0.0078 -0.0128 2569 ARG 324 NH2 -0.0060 0.0084 -0.0152 2570 ARG 324 1HH2 -0.0075 0.0085 -0.0160 2571 ARG 324 2HH2 -0.0050 0.0090 -0.0158 2572 ARG 324 C -0.0089 0.0019 -0.0063 2573 ARG 324 O -0.0099 0.0007 -0.0048 2574 LEU 325 N -0.0082 0.0093 -0.0050 2575 LEU 325 H -0.0063 0.0097 -0.0074 2576 LEU 325 CA -0.0064 0.0091 -0.0010 2577 LEU 325 CB -0.0053 0.0091 0.0013 2578 LEU 325 CG -0.0035 0.0090 0.0056 2579 LEU 325 CD1 -0.0065 0.0083 0.0086 2580 LEU 325 CD2 -0.0024 0.0090 0.0070 2581 LEU 325 C -0.0028 0.0097 -0.0016 2582 LEU 325 O 0.0001 0.0102 -0.0037 2583 LYS 326 N -0.0030 0.0095 0.0002 2584 LYS 326 H -0.0054 0.0090 0.0019 2585 LYS 326 CA 0.0003 0.0099 -0.0001 2586 LYS 326 CB -0.0012 0.0098 -0.0007 2587 LYS 326 CG 0.0022 0.0103 -0.0011 2588 LYS 326 CD 0.0006 0.0101 -0.0019 2589 LYS 326 CE 0.0042 0.0106 -0.0023 2590 LYS 326 NZ 0.0026 0.0105 -0.0034 2591 LYS 326 HZ1 -0.0004 0.0100 -0.0024 2592 LYS 326 HZ2 0.0043 0.0106 -0.0019 2593 LYS 326 HZ3 0.0028 0.0108 -0.0065 2594 LYS 326 C 0.0032 0.0100 0.0035 2595 LYS 326 O 0.0070 0.0105 0.0030 2596 THR 327 N 0.0035 0.0102 0.0127 2597 THR 327 H 0.0013 0.0115 0.0132 2598 THR 327 CA 0.0053 0.0076 0.0150 2599 THR 327 CB 0.0030 0.0074 0.0181 2600 THR 327 CG2 0.0047 0.0046 0.0207 2601 THR 327 OG1 0.0004 0.0081 0.0198 2602 THR 327 HG1 0.0014 0.0070 0.0205 2603 THR 327 C 0.0083 0.0065 0.0135 2604 THR 327 O 0.0109 0.0044 0.0140 2605 GLU 328 N 0.0081 0.0078 0.0115 2606 GLU 328 H 0.0060 0.0095 0.0110 2607 GLU 328 CA 0.0109 0.0066 0.0102 2608 GLU 328 CB 0.0102 0.0073 0.0098 2609 GLU 328 CG 0.0132 0.0059 0.0087 2610 GLU 328 CD 0.0123 0.0067 0.0085 2611 GLU 328 OE1 0.0093 0.0084 0.0091 2612 GLU 328 OE2 0.0146 0.0055 0.0078 2613 GLU 328 C 0.0134 0.0068 0.0071 2614 GLU 328 O 0.0128 0.0088 0.0044 2615 ALA 329 N 0.0114 0.0039 0.0046 2616 ALA 329 H 0.0111 0.0031 0.0041 2617 ALA 329 CA 0.0112 0.0045 0.0049 2618 ALA 329 CB 0.0102 0.0039 0.0046 2619 ALA 329 C 0.0124 0.0046 0.0049 2620 ALA 329 O 0.0126 0.0054 0.0054 2621 GLN 330 N 0.0132 0.0038 0.0043 2622 GLN 330 H 0.0130 0.0031 0.0039 2623 GLN 330 CA 0.0144 0.0038 0.0042 2624 GLN 330 CB 0.0151 0.0028 0.0035 2625 GLN 330 CG 0.0144 0.0018 0.0029 2626 GLN 330 CD 0.0150 0.0007 0.0022 2627 GLN 330 OE1 0.0160 0.0006 0.0021 2628 GLN 330 NE2 0.0143 -0.0002 0.0017 2629 GLN 330 1HE2 0.0147 -0.0009 0.0012 2630 GLN 330 2HE2 0.0135 -0.0001 0.0018 2631 GLN 330 C 0.0153 0.0047 0.0047 2632 GLN 330 O 0.0158 0.0053 0.0051 2633 MET 331 N 0.0143 0.0022 0.0024 2634 MET 331 H 0.0136 0.0016 0.0024 2635 MET 331 CA 0.0143 0.0027 0.0023 2636 MET 331 CB 0.0135 0.0021 0.0022 2637 MET 331 CG 0.0138 0.0010 0.0027 2638 MET 331 SD 0.0128 0.0003 0.0026 2639 MET 331 CE 0.0131 0.0014 0.0023 2640 MET 331 C 0.0141 0.0039 0.0018 2641 MET 331 O 0.0147 0.0046 0.0017 2642 SER 332 N 0.0133 0.0042 0.0014 2643 SER 332 H 0.0129 0.0036 0.0015 2644 SER 332 CA 0.0131 0.0054 0.0009 2645 SER 332 CB 0.0121 0.0055 0.0005 2646 SER 332 OG 0.0110 0.0049 0.0004 2647 SER 332 HG 0.0105 0.0048 0.0002 2648 SER 332 C 0.0141 0.0061 0.0010 2649 SER 332 O 0.0143 0.0071 0.0007 2650 ILE 333 N 0.0135 0.0031 0.0021 2651 ILE 333 H 0.0130 0.0015 0.0007 2652 ILE 333 CA 0.0136 0.0041 0.0029 2653 ILE 333 CB 0.0125 0.0024 0.0014 2654 ILE 333 CG2 0.0130 0.0034 0.0023 2655 ILE 333 CG1 0.0092 0.0020 0.0009 2656 ILE 333 CD1 0.0081 0.0000 -0.0009 2657 ILE 333 C 0.0167 0.0048 0.0037 2658 ILE 333 O 0.0171 0.0067 0.0053 2659 GLN 334 N 0.0191 0.0034 0.0026 2660 GLN 334 H 0.0188 0.0019 0.0013 2661 GLN 334 CA 0.0222 0.0039 0.0033 2662 GLN 334 CB 0.0245 0.0020 0.0018 2663 GLN 334 CG 0.0244 -0.0001 -0.0000 2664 GLN 334 CD 0.0253 0.0005 0.0006 2665 GLN 334 OE1 0.0276 0.0016 0.0017 2666 GLN 334 NE2 0.0234 -0.0001 -0.0001 2667 GLN 334 1HE2 0.0239 0.0003 0.0003 2668 GLN 334 2HE2 0.0216 -0.0010 -0.0009 2669 GLN 334 C 0.0231 0.0061 0.0052 2670 GLN 334 O 0.0246 0.0075 0.0065 2671 LEU 335 N 0.0180 0.0028 0.0035 2672 LEU 335 H 0.0164 0.0013 0.0033 2673 LEU 335 CA 0.0177 0.0055 0.0040 2674 LEU 335 CB 0.0150 0.0056 0.0043 2675 LEU 335 CG 0.0154 0.0036 0.0039 2676 LEU 335 CD1 0.0125 0.0035 0.0042 2677 LEU 335 CD2 0.0180 0.0047 0.0038 2678 LEU 335 C 0.0171 0.0080 0.0046 2679 LEU 335 O 0.0186 0.0103 0.0049 2680 ILE 336 N 0.0151 0.0075 0.0047 2681 ILE 336 H 0.0140 0.0056 0.0044 2682 ILE 336 CA 0.0146 0.0099 0.0052 2683 ILE 336 CB 0.0120 0.0098 0.0055 2684 ILE 336 CG2 0.0091 0.0096 0.0057 2685 ILE 336 CG1 0.0120 0.0074 0.0050 2686 ILE 336 CD1 0.0097 0.0079 0.0053 2687 ILE 336 C 0.0173 0.0104 0.0051 2688 ILE 336 O 0.0180 0.0130 0.0055 2689 ASN 337 N 0.0146 0.0125 0.0069 2690 ASN 337 H 0.0131 0.0069 0.0039 2691 ASN 337 CA 0.0203 0.0145 0.0092 2692 ASN 337 CB 0.0233 0.0075 0.0066 2693 ASN 337 CG 0.0160 0.0056 0.0040 2694 ASN 337 OD1 0.0094 0.0100 0.0044 2695 ASN 337 ND2 0.0173 -0.0013 0.0011 2696 ASN 337 1HD2 0.0130 -0.0026 -0.0006 2697 ASN 337 2HD2 0.0227 -0.0049 0.0007 2698 ASN 337 C 0.0280 0.0180 0.0126 2699 ASN 337 O 0.0308 0.0236 0.0159 2700 LYS 338 N 0.0313 0.0148 0.0119 2701 LYS 338 H 0.0290 0.0101 0.0092 2702 LYS 338 CA 0.0385 0.0177 0.0150 2703 LYS 338 CB 0.0422 0.0119 0.0132 2704 LYS 338 CG 0.0466 0.0042 0.0107 2705 LYS 338 CD 0.0503 -0.0018 0.0087 2706 LYS 338 CE 0.0580 0.0007 0.0117 2707 LYS 338 NZ 0.0654 0.0005 0.0135 2708 LYS 338 HZ1 0.0649 0.0057 0.0157 2709 LYS 338 HZ2 0.0655 -0.0044 0.0112 2710 LYS 338 HZ3 0.0710 0.0002 0.0146 2711 LYS 338 C 0.0360 0.0256 0.0181 2712 LYS 338 O 0.0411 0.0308 0.0217 2713 ALA 339 N 0.0186 0.0202 0.0044 2714 ALA 339 H 0.0184 0.0198 0.0055 2715 ALA 339 CA 0.0185 0.0212 0.0067 2716 ALA 339 CB 0.0184 0.0228 0.0099 2717 ALA 339 C 0.0177 0.0185 0.0078 2718 ALA 339 O 0.0177 0.0194 0.0095 2719 VAL 340 N 0.0171 0.0153 0.0069 2720 VAL 340 H 0.0171 0.0147 0.0056 2721 VAL 340 CA 0.0162 0.0125 0.0079 2722 VAL 340 CB 0.0157 0.0092 0.0063 2723 VAL 340 CG1 0.0149 0.0063 0.0069 2724 VAL 340 CG2 0.0153 0.0084 0.0078 2725 VAL 340 C 0.0164 0.0129 0.0073 2726 VAL 340 O 0.0159 0.0123 0.0095 2727 ASN 341 N 0.0159 0.0141 0.0019 2728 ASN 341 H 0.0144 0.0157 0.0027 2729 ASN 341 CA 0.0149 0.0120 -0.0013 2730 ASN 341 CB 0.0116 0.0128 -0.0029 2731 ASN 341 CG 0.0119 0.0128 -0.0027 2732 ASN 341 OD1 0.0145 0.0117 -0.0020 2733 ASN 341 ND2 0.0091 0.0141 -0.0033 2734 ASN 341 1HD2 0.0090 0.0141 -0.0033 2735 ASN 341 2HD2 0.0070 0.0150 -0.0038 2736 ASN 341 C 0.0145 0.0113 -0.0024 2737 ASN 341 O 0.0152 0.0090 -0.0046 2738 ALA 342 N 0.0134 0.0132 -0.0010 2739 ALA 342 H 0.0130 0.0151 0.0008 2740 ALA 342 CA 0.0130 0.0129 -0.0018 2741 ALA 342 CB 0.0108 0.0155 -0.0004 2742 ALA 342 C 0.0161 0.0116 -0.0008 2743 ALA 342 O 0.0165 0.0100 -0.0024 2744 LEU 343 N 0.0118 0.0083 0.0009 2745 LEU 343 H 0.0120 0.0076 -0.0009 2746 LEU 343 CA 0.0101 0.0077 0.0027 2747 LEU 343 CB 0.0091 0.0064 0.0013 2748 LEU 343 CG 0.0107 0.0072 0.0004 2749 LEU 343 CD1 0.0097 0.0057 -0.0013 2750 LEU 343 CD2 0.0113 0.0086 0.0026 2751 LEU 343 C 0.0081 0.0069 0.0040 2752 LEU 343 O 0.0074 0.0073 0.0064 2753 ILE 344 N 0.0072 0.0056 0.0027 2754 ILE 344 H 0.0078 0.0052 0.0008 2755 ILE 344 CA 0.0052 0.0046 0.0038 2756 ILE 344 CB 0.0031 0.0027 0.0030 2757 ILE 344 CG2 0.0010 0.0016 0.0041 2758 ILE 344 CG1 0.0026 0.0027 0.0038 2759 ILE 344 CD1 0.0007 0.0009 0.0028 2760 ILE 344 C 0.0056 0.0046 0.0031 2761 ILE 344 O 0.0067 0.0045 0.0010 2762 ASN 345 N -0.0013 0.0007 0.0076 2763 ASN 345 H -0.0016 0.0006 0.0088 2764 ASN 345 CA -0.0010 0.0004 0.0064 2765 ASN 345 CB -0.0011 0.0007 0.0071 2766 ASN 345 CG -0.0008 0.0005 0.0058 2767 ASN 345 OD1 -0.0004 0.0005 0.0042 2768 ASN 345 ND2 -0.0010 0.0004 0.0064 2769 ASN 345 1HD2 -0.0008 0.0003 0.0056 2770 ASN 345 2HD2 -0.0013 0.0005 0.0076 2771 ASN 345 C -0.0013 -0.0014 0.0057 2772 ASN 345 O -0.0018 -0.0026 0.0066 2773 ASP 346 N -0.0008 -0.0016 0.0040 2774 ASP 346 H -0.0004 -0.0006 0.0033 2775 ASP 346 CA -0.0010 -0.0032 0.0030 2776 ASP 346 CB -0.0004 -0.0030 0.0012 2777 ASP 346 CG -0.0002 -0.0024 0.0011 2778 ASP 346 OD1 -0.0006 -0.0025 0.0023 2779 ASP 346 OD2 0.0003 -0.0019 -0.0003 2780 ASP 346 C -0.0013 -0.0042 0.0031 2781 ASP 346 O -0.0017 -0.0058 0.0031 2782 GLN 347 N -0.0029 -0.0015 0.0037 2783 GLN 347 H -0.0031 -0.0007 0.0036 2784 GLN 347 CA -0.0026 -0.0020 0.0032 2785 GLN 347 CB -0.0027 -0.0012 0.0027 2786 GLN 347 CG -0.0025 -0.0016 0.0021 2787 GLN 347 CD -0.0021 -0.0022 0.0012 2788 GLN 347 OE1 -0.0020 -0.0018 0.0006 2789 GLN 347 NE2 -0.0017 -0.0030 0.0010 2790 GLN 347 1HE2 -0.0015 -0.0034 0.0004 2791 GLN 347 2HE2 -0.0018 -0.0033 0.0015 2792 GLN 347 C -0.0026 -0.0025 0.0041 2793 GLN 347 O -0.0023 -0.0034 0.0039 2794 LEU 348 N -0.0030 -0.0021 0.0050 2795 LEU 348 H -0.0032 -0.0014 0.0051 2796 LEU 348 CA -0.0030 -0.0026 0.0058 2797 LEU 348 CB -0.0034 -0.0019 0.0067 2798 LEU 348 CG -0.0036 -0.0011 0.0064 2799 LEU 348 CD1 -0.0041 -0.0004 0.0074 2800 LEU 348 CD2 -0.0034 -0.0015 0.0061 2801 LEU 348 C -0.0028 -0.0035 0.0063 2802 LEU 348 O -0.0026 -0.0042 0.0065 2803 ILE 349 N -0.0011 -0.0091 0.0079 2804 ILE 349 H -0.0013 -0.0088 0.0079 2805 ILE 349 CA -0.0008 -0.0101 0.0086 2806 ILE 349 CB -0.0010 -0.0105 0.0090 2807 ILE 349 CG2 -0.0005 -0.0115 0.0096 2808 ILE 349 CG1 -0.0020 -0.0101 0.0095 2809 ILE 349 CD1 -0.0022 -0.0103 0.0098 2810 ILE 349 C 0.0002 -0.0105 0.0082 2811 ILE 349 O 0.0004 -0.0111 0.0085 2812 MET 350 N 0.0008 -0.0103 0.0074 2813 MET 350 H 0.0006 -0.0098 0.0072 2814 MET 350 CA 0.0018 -0.0107 0.0070 2815 MET 350 CB 0.0024 -0.0105 0.0064 2816 MET 350 CG 0.0025 -0.0110 0.0068 2817 MET 350 SD 0.0029 -0.0122 0.0075 2818 MET 350 CE 0.0040 -0.0124 0.0068 2819 MET 350 C 0.0020 -0.0105 0.0067 2820 MET 350 O 0.0026 -0.0111 0.0067 2821 LYS 351 N 0.0041 -0.0041 0.0070 2822 LYS 351 H 0.0027 -0.0049 0.0067 2823 LYS 351 CA 0.0049 -0.0023 0.0052 2824 LYS 351 CB 0.0036 -0.0018 0.0031 2825 LYS 351 CG 0.0035 -0.0018 0.0031 2826 LYS 351 CD 0.0022 -0.0013 0.0008 2827 LYS 351 CE 0.0020 -0.0013 0.0007 2828 LYS 351 NZ 0.0006 -0.0009 -0.0015 2829 LYS 351 HZ1 0.0002 -0.0012 -0.0015 2830 LYS 351 HZ2 -0.0008 -0.0016 -0.0019 2831 LYS 351 HZ3 0.0014 0.0004 -0.0026 2832 LYS 351 C 0.0050 -0.0018 0.0047 2833 LYS 351 O 0.0066 -0.0005 0.0044 2834 ASN 352 N 0.0033 -0.0030 0.0046 2835 ASN 352 H 0.0020 -0.0041 0.0050 2836 ASN 352 CA 0.0031 -0.0028 0.0041 2837 ASN 352 CB 0.0009 -0.0043 0.0039 2838 ASN 352 CG -0.0007 -0.0040 0.0017 2839 ASN 352 OD1 -0.0002 -0.0025 0.0001 2840 ASN 352 ND2 -0.0027 -0.0054 0.0017 2841 ASN 352 1HD2 -0.0038 -0.0053 0.0004 2842 ASN 352 2HD2 -0.0031 -0.0066 0.0031 2843 ASN 352 C 0.0047 -0.0028 0.0058 2844 ASN 352 O 0.0058 -0.0017 0.0053 2845 HIS 353 N 0.0074 -0.0065 0.0065 2846 HIS 353 H 0.0064 -0.0071 0.0068 2847 HIS 353 CA 0.0094 -0.0074 0.0088 2848 HIS 353 CB 0.0091 -0.0093 0.0113 2849 HIS 353 CG 0.0109 -0.0104 0.0137 2850 HIS 353 ND1 0.0105 -0.0113 0.0147 2851 HIS 353 CE1 0.0125 -0.0121 0.0170 2852 HIS 353 NE2 0.0142 -0.0119 0.0176 2853 HIS 353 CD2 0.0132 -0.0108 0.0155 2854 HIS 353 C 0.0126 -0.0058 0.0086 2855 HIS 353 O 0.0143 -0.0057 0.0094 2856 LEU 354 N 0.0134 -0.0046 0.0073 2857 LEU 354 H 0.0120 -0.0047 0.0067 2858 LEU 354 CA 0.0164 -0.0031 0.0069 2859 LEU 354 CB 0.0171 -0.0021 0.0060 2860 LEU 354 CG 0.0175 -0.0035 0.0081 2861 LEU 354 CD1 0.0178 -0.0025 0.0070 2862 LEU 354 CD2 0.0200 -0.0042 0.0105 2863 LEU 354 C 0.0168 -0.0015 0.0051 2864 LEU 354 O 0.0192 -0.0008 0.0055 2865 ARG 355 N 0.0172 0.0061 0.0027 2866 ARG 355 H 0.0149 0.0051 0.0023 2867 ARG 355 CA 0.0168 0.0086 0.0000 2868 ARG 355 CB 0.0130 0.0095 -0.0031 2869 ARG 355 CG 0.0133 0.0116 -0.0049 2870 ARG 355 CD 0.0095 0.0123 -0.0078 2871 ARG 355 NE 0.0103 0.0139 -0.0089 2872 ARG 355 HE 0.0130 0.0145 -0.0079 2873 ARG 355 CZ 0.0073 0.0145 -0.0113 2874 ARG 355 NH1 0.0035 0.0138 -0.0129 2875 ARG 355 1HH1 0.0028 0.0129 -0.0125 2876 ARG 355 2HH1 0.0013 0.0142 -0.0146 2877 ARG 355 NH2 0.0082 0.0158 -0.0120 2878 ARG 355 1HH2 0.0110 0.0163 -0.0109 2879 ARG 355 2HH2 0.0061 0.0163 -0.0137 2880 ARG 355 C 0.0166 0.0073 0.0011 2881 ARG 355 O 0.0183 0.0094 0.0002 2882 ASP 356 N 0.0147 0.0040 0.0032 2883 ASP 356 H 0.0132 0.0024 0.0039 2884 ASP 356 CA 0.0142 0.0023 0.0046 2885 ASP 356 CB 0.0127 -0.0016 0.0074 2886 ASP 356 CG 0.0083 -0.0034 0.0066 2887 ASP 356 OD1 0.0074 -0.0065 0.0090 2888 ASP 356 OD2 0.0060 -0.0018 0.0036 2889 ASP 356 C 0.0184 0.0029 0.0065 2890 ASP 356 O 0.0193 0.0041 0.0059 2891 ILE 357 N 0.0214 0.0065 0.0063 2892 ILE 357 H 0.0211 0.0059 0.0065 2893 ILE 357 CA 0.0242 0.0066 0.0076 2894 ILE 357 CB 0.0261 0.0057 0.0092 2895 ILE 357 CG2 0.0292 0.0060 0.0106 2896 ILE 357 CG1 0.0249 0.0026 0.0106 2897 ILE 357 CD1 0.0263 0.0017 0.0119 2898 ILE 357 C 0.0256 0.0095 0.0065 2899 ILE 357 O 0.0268 0.0099 0.0068 2900 MET 358 N 0.0253 0.0115 0.0050 2901 MET 358 H 0.0243 0.0111 0.0047 2902 MET 358 CA 0.0266 0.0143 0.0037 2903 MET 358 CB 0.0262 0.0162 0.0023 2904 MET 358 CG 0.0279 0.0160 0.0033 2905 MET 358 SD 0.0319 0.0170 0.0046 2906 MET 358 CE 0.0323 0.0205 0.0025 2907 MET 358 C 0.0255 0.0155 0.0024 2908 MET 358 O 0.0271 0.0175 0.0019 2909 GLY 359 N 0.0291 0.0111 0.0032 2910 GLY 359 H 0.0264 0.0089 0.0045 2911 GLY 359 CA 0.0285 0.0124 0.0013 2912 GLY 359 C 0.0261 0.0153 -0.0034 2913 GLY 359 O 0.0260 0.0172 -0.0057 2914 ILE 360 N 0.0244 0.0158 -0.0048 2915 ILE 360 H 0.0245 0.0142 -0.0027 2916 ILE 360 CA 0.0220 0.0184 -0.0090 2917 ILE 360 CB 0.0237 0.0198 -0.0100 2918 ILE 360 CG2 0.0204 0.0219 -0.0141 2919 ILE 360 CG1 0.0293 0.0220 -0.0099 2920 ILE 360 CD1 0.0316 0.0229 -0.0099 2921 ILE 360 C 0.0165 0.0163 -0.0092 2922 ILE 360 O 0.0150 0.0131 -0.0060 2923 PRO 361 N 0.0091 0.0138 -0.0097 2924 PRO 361 CA 0.0051 0.0126 -0.0098 2925 PRO 361 CB 0.0037 0.0145 -0.0131 2926 PRO 361 CG 0.0071 0.0162 -0.0140 2927 PRO 361 CD 0.0105 0.0161 -0.0124 2928 PRO 361 C 0.0028 0.0114 -0.0089 2929 PRO 361 O 0.0031 0.0123 -0.0101 2930 TYR 362 N 0.0005 0.0092 -0.0068 2931 TYR 362 H 0.0003 0.0087 -0.0061 2932 TYR 362 CA -0.0012 0.0073 -0.0048 2933 TYR 362 CB 0.0010 0.0055 -0.0013 2934 TYR 362 CG 0.0017 0.0047 0.0002 2935 TYR 362 CD1 0.0050 0.0059 -0.0001 2936 TYR 362 CE1 0.0059 0.0053 0.0011 2937 TYR 362 CZ 0.0033 0.0034 0.0027 2938 TYR 362 OH 0.0041 0.0028 0.0039 2939 TYR 362 HH 0.0063 0.0040 0.0031 2940 TYR 362 CE2 -0.0001 0.0021 0.0031 2941 TYR 362 CD2 -0.0009 0.0027 0.0018 2942 TYR 362 C -0.0052 0.0061 -0.0048 2943 TYR 362 O -0.0064 0.0061 -0.0053 2944 CYS 363 N -0.0033 0.0026 -0.0008 2945 CYS 363 H -0.0021 0.0025 -0.0003 2946 CYS 363 CA -0.0057 0.0014 -0.0010 2947 CYS 363 CB -0.0065 0.0014 -0.0015 2948 CYS 363 SG -0.0096 -0.0001 -0.0018 2949 CYS 363 C -0.0059 -0.0009 0.0004 2950 CYS 363 O -0.0046 -0.0020 0.0018 2951 ASN 364 N -0.0077 -0.0017 0.0002 2952 ASN 364 H -0.0087 -0.0008 -0.0009 2953 ASN 364 CA -0.0083 -0.0039 0.0014 2954 ASN 364 CB -0.0090 -0.0042 0.0014 2955 ASN 364 CG -0.0069 -0.0037 0.0019 2956 ASN 364 OD1 -0.0049 -0.0038 0.0029 2957 ASN 364 ND2 -0.0075 -0.0031 0.0013 2958 ASN 364 1HD2 -0.0062 -0.0029 0.0017 2959 ASN 364 2HD2 -0.0091 -0.0031 0.0005 2960 ASN 364 C -0.0103 -0.0052 0.0015 2961 ASN 364 O -0.0109 -0.0072 0.0026 2962 TYR 365 N -0.0099 -0.0064 0.0012 2963 TYR 365 H -0.0096 -0.0051 0.0013 2964 TYR 365 CA -0.0104 -0.0074 0.0010 2965 TYR 365 CB -0.0095 -0.0092 0.0016 2966 TYR 365 CG -0.0077 -0.0088 0.0026 2967 TYR 365 CD1 -0.0066 -0.0088 0.0032 2968 TYR 365 CE1 -0.0049 -0.0085 0.0041 2969 TYR 365 CZ -0.0044 -0.0082 0.0044 2970 TYR 365 OH -0.0028 -0.0079 0.0053 2971 TYR 365 HH -0.0022 -0.0081 0.0056 2972 TYR 365 CE2 -0.0056 -0.0083 0.0037 2973 TYR 365 CD2 -0.0072 -0.0086 0.0028 2974 TYR 365 C -0.0122 -0.0079 0.0000 2975 TYR 365 O -0.0127 -0.0089 -0.0002 2976 SER 366 N -0.0132 -0.0072 -0.0006 2977 SER 366 H -0.0127 -0.0063 -0.0004 2978 SER 366 CA -0.0149 -0.0076 -0.0015 2979 SER 366 CB -0.0155 -0.0080 -0.0018 2980 SER 366 OG -0.0147 -0.0095 -0.0013 2981 SER 366 HG -0.0150 -0.0094 -0.0015 2982 SER 366 C -0.0159 -0.0063 -0.0022 2983 SER 366 O -0.0169 -0.0068 -0.0027 2984 LYS 367 N -0.0150 -0.0016 -0.0020 2985 LYS 367 H -0.0151 -0.0011 -0.0016 2986 LYS 367 CA -0.0157 -0.0005 -0.0014 2987 LYS 367 CB -0.0177 0.0008 -0.0015 2988 LYS 367 CG -0.0192 0.0002 -0.0033 2989 LYS 367 CD -0.0211 0.0016 -0.0033 2990 LYS 367 CE -0.0226 0.0011 -0.0050 2991 LYS 367 NZ -0.0245 0.0025 -0.0050 2992 LYS 367 HZ1 -0.0255 0.0022 -0.0061 2993 LYS 367 HZ2 -0.0247 0.0028 -0.0048 2994 LYS 367 HZ3 -0.0245 0.0035 -0.0040 2995 LYS 367 C -0.0145 0.0003 0.0003 2996 LYS 367 O -0.0139 0.0009 0.0014 2997 TYR 368 N -0.0143 0.0003 0.0005 2998 TYR 368 H -0.0148 -0.0002 -0.0004 2999 TYR 368 CA -0.0132 0.0010 0.0021 3000 TYR 368 CB -0.0114 -0.0002 0.0021 3001 TYR 368 CG -0.0102 -0.0013 0.0019 3002 TYR 368 CD1 -0.0103 -0.0028 0.0004 3003 TYR 368 CE1 -0.0092 -0.0037 0.0003 3004 TYR 368 CZ -0.0080 -0.0032 0.0017 3005 TYR 368 OH -0.0068 -0.0042 0.0016 3006 TYR 368 HH -0.0072 -0.0051 0.0005 3007 TYR 368 CE2 -0.0079 -0.0018 0.0032 3008 TYR 368 CD2 -0.0090 -0.0008 0.0033 3009 TYR 368 C -0.0143 0.0021 0.0023 3010 TYR 368 O -0.0151 0.0016 0.0012 3011 TRP 369 N -0.0052 0.0070 0.0080 3012 TRP 369 H -0.0050 0.0074 0.0092 3013 TRP 369 CA -0.0057 0.0076 0.0082 3014 TRP 369 CB -0.0071 0.0092 0.0089 3015 TRP 369 CG -0.0085 0.0099 0.0074 3016 TRP 369 CD1 -0.0089 0.0096 0.0061 3017 TRP 369 NE1 -0.0104 0.0106 0.0051 3018 TRP 369 HE1 -0.0109 0.0106 0.0040 3019 TRP 369 CE2 -0.0110 0.0115 0.0058 3020 TRP 369 CZ2 -0.0125 0.0127 0.0053 3021 TRP 369 CH2 -0.0128 0.0134 0.0063 3022 TRP 369 CZ3 -0.0117 0.0131 0.0078 3023 TRP 369 CE3 -0.0102 0.0119 0.0083 3024 TRP 369 CD2 -0.0099 0.0112 0.0073 3025 TRP 369 C -0.0044 0.0070 0.0095 3026 TRP 369 O -0.0036 0.0069 0.0109 3027 TYR 370 N -0.0042 0.0066 0.0090 3028 TYR 370 H -0.0049 0.0067 0.0078 3029 TYR 370 CA -0.0031 0.0060 0.0100 3030 TYR 370 CB -0.0016 0.0044 0.0095 3031 TYR 370 CG -0.0018 0.0035 0.0075 3032 TYR 370 CD1 -0.0015 0.0030 0.0069 3033 TYR 370 CE1 -0.0016 0.0022 0.0050 3034 TYR 370 CZ -0.0021 0.0020 0.0037 3035 TYR 370 OH -0.0022 0.0013 0.0018 3036 TYR 370 HH -0.0021 0.0011 0.0016 3037 TYR 370 CE2 -0.0024 0.0026 0.0043 3038 TYR 370 CD2 -0.0022 0.0033 0.0062 3039 TYR 370 C -0.0036 0.0065 0.0100 3040 TYR 370 O -0.0048 0.0070 0.0088 3041 LEU 371 N 0.0019 0.0070 0.0088 3042 LEU 371 H 0.0017 0.0071 0.0087 3043 LEU 371 CA 0.0017 0.0071 0.0082 3044 LEU 371 CB 0.0019 0.0073 0.0074 3045 LEU 371 CG 0.0027 0.0072 0.0071 3046 LEU 371 CD1 0.0027 0.0074 0.0063 3047 LEU 371 CD2 0.0032 0.0072 0.0072 3048 LEU 371 C 0.0009 0.0072 0.0083 3049 LEU 371 O 0.0004 0.0072 0.0084 3050 ASN 372 N 0.0007 0.0072 0.0083 3051 ASN 372 H 0.0011 0.0072 0.0082 3052 ASN 372 CA -0.0001 0.0073 0.0083 3053 ASN 372 CB -0.0002 0.0072 0.0089 3054 ASN 372 CG -0.0001 0.0071 0.0097 3055 ASN 372 OD1 -0.0004 0.0070 0.0101 3056 ASN 372 ND2 0.0005 0.0069 0.0100 3057 ASN 372 1HD2 0.0006 0.0068 0.0106 3058 ASN 372 2HD2 0.0008 0.0070 0.0097 3059 ASN 372 C -0.0002 0.0075 0.0076 3060 ASN 372 O 0.0002 0.0075 0.0074 3061 HIS 373 N 0.0024 0.0047 0.0099 3062 HIS 373 H -0.0010 0.0063 0.0105 3063 HIS 373 CA 0.0028 0.0024 0.0066 3064 HIS 373 CB -0.0021 0.0021 0.0035 3065 HIS 373 CG -0.0016 -0.0007 -0.0004 3066 HIS 373 ND1 -0.0008 -0.0009 -0.0003 3067 HIS 373 CE1 -0.0006 -0.0037 -0.0045 3068 HIS 373 NE2 -0.0012 -0.0053 -0.0073 3069 HIS 373 CD2 -0.0018 -0.0034 -0.0047 3070 HIS 373 C 0.0048 0.0035 0.0092 3071 HIS 373 O 0.0026 0.0061 0.0121 3072 THR 374 N 0.0089 0.0014 0.0082 3073 THR 374 H 0.0106 -0.0007 0.0059 3074 THR 374 CA 0.0113 0.0022 0.0106 3075 THR 374 CB 0.0162 -0.0005 0.0091 3076 THR 374 CG2 0.0189 0.0003 0.0116 3077 THR 374 OG1 0.0195 -0.0011 0.0098 3078 THR 374 HG1 0.0183 -0.0021 0.0076 3079 THR 374 C 0.0080 0.0031 0.0102 3080 THR 374 O 0.0077 0.0053 0.0136 3081 ILE 375 N 0.0057 0.0001 0.0086 3082 ILE 375 H 0.0073 -0.0015 0.0040 3083 ILE 375 CA -0.0006 0.0024 0.0076 3084 ILE 375 CB -0.0016 0.0010 -0.0005 3085 ILE 375 CG2 -0.0088 0.0035 -0.0021 3086 ILE 375 CG1 0.0048 -0.0019 -0.0022 3087 ILE 375 CD1 0.0052 -0.0039 -0.0105 3088 ILE 375 C -0.0074 0.0055 0.0100 3089 ILE 375 O -0.0111 0.0079 0.0144 3090 THR 376 N -0.0089 0.0056 0.0074 3091 THR 376 H -0.0058 0.0036 0.0040 3092 THR 376 CA -0.0154 0.0085 0.0091 3093 THR 376 CB -0.0184 0.0083 0.0029 3094 THR 376 CG2 -0.0203 0.0075 -0.0043 3095 THR 376 OG1 -0.0135 0.0060 0.0015 3096 THR 376 HG1 -0.0161 0.0063 -0.0019 3097 THR 376 C -0.0153 0.0100 0.0164 3098 THR 376 O -0.0209 0.0129 0.0196 3099 GLY 377 N -0.0071 0.0029 0.0110 3100 GLY 377 H -0.0068 0.0027 0.0108 3101 GLY 377 CA -0.0068 0.0016 0.0115 3102 GLY 377 C -0.0056 0.0014 0.0105 3103 GLY 377 O -0.0053 0.0005 0.0108 3104 LYS 378 N -0.0048 0.0023 0.0092 3105 LYS 378 H -0.0051 0.0030 0.0089 3106 LYS 378 CA -0.0036 0.0022 0.0081 3107 LYS 378 CB -0.0032 0.0036 0.0068 3108 LYS 378 CG -0.0021 0.0038 0.0056 3109 LYS 378 CD -0.0018 0.0052 0.0043 3110 LYS 378 CE -0.0007 0.0055 0.0031 3111 LYS 378 NZ 0.0007 0.0042 0.0027 3112 LYS 378 HZ1 0.0014 0.0046 0.0017 3113 LYS 378 HZ2 0.0006 0.0034 0.0033 3114 LYS 378 HZ3 0.0010 0.0036 0.0027 3115 LYS 378 C -0.0025 0.0007 0.0080 3116 LYS 378 O -0.0023 0.0004 0.0080 3117 THR 379 N -0.0011 0.0017 0.0049 3118 THR 379 H -0.0006 0.0006 0.0051 3119 THR 379 CA -0.0012 0.0026 0.0052 3120 THR 379 CB -0.0014 0.0016 0.0045 3121 THR 379 CG2 -0.0025 0.0012 0.0029 3122 THR 379 OG1 -0.0005 0.0001 0.0050 3123 THR 379 HG1 -0.0005 -0.0001 0.0049 3124 THR 379 C -0.0002 0.0030 0.0067 3125 THR 379 O 0.0007 0.0023 0.0075 3126 SER 380 N -0.0004 0.0044 0.0071 3127 SER 380 H -0.0012 0.0050 0.0064 3128 SER 380 CA 0.0004 0.0050 0.0084 3129 SER 380 CB 0.0000 0.0068 0.0088 3130 SER 380 OG -0.0007 0.0072 0.0080 3131 SER 380 HG -0.0007 0.0082 0.0085 3132 SER 380 C 0.0009 0.0039 0.0085 3133 SER 380 O 0.0004 0.0030 0.0075 3134 LEU 381 N -0.0031 0.0058 0.0084 3135 LEU 381 H -0.0029 0.0061 0.0092 3136 LEU 381 CA -0.0029 0.0054 0.0081 3137 LEU 381 CB -0.0022 0.0051 0.0090 3138 LEU 381 CG -0.0018 0.0046 0.0086 3139 LEU 381 CD1 -0.0015 0.0037 0.0078 3140 LEU 381 CD2 -0.0012 0.0045 0.0096 3141 LEU 381 C -0.0037 0.0060 0.0078 3142 LEU 381 O -0.0040 0.0067 0.0084 3143 PRO 382 N -0.0040 0.0058 0.0068 3144 PRO 382 CA -0.0048 0.0063 0.0064 3145 PRO 382 CB -0.0049 0.0058 0.0053 3146 PRO 382 CG -0.0044 0.0051 0.0050 3147 PRO 382 CD -0.0037 0.0049 0.0060 3148 PRO 382 C -0.0049 0.0067 0.0070 3149 PRO 382 O -0.0043 0.0063 0.0072 3150 LYS 383 N -0.0083 0.0102 0.0025 3151 LYS 383 H -0.0094 0.0107 0.0026 3152 LYS 383 CA -0.0081 0.0103 0.0027 3153 LYS 383 CB -0.0083 0.0117 0.0038 3154 LYS 383 CG -0.0070 0.0124 0.0048 3155 LYS 383 CD -0.0071 0.0137 0.0059 3156 LYS 383 CE -0.0059 0.0145 0.0069 3157 LYS 383 NZ -0.0061 0.0157 0.0079 3158 LYS 383 HZ1 -0.0054 0.0156 0.0080 3159 LYS 383 HZ2 -0.0056 0.0163 0.0086 3160 LYS 383 HZ3 -0.0073 0.0161 0.0078 3161 LYS 383 C -0.0092 0.0096 0.0017 3162 LYS 383 O -0.0105 0.0096 0.0013 3163 CYS 384 N -0.0086 0.0090 0.0014 3164 CYS 384 H -0.0075 0.0091 0.0018 3165 CYS 384 CA -0.0094 0.0083 0.0005 3166 CYS 384 CB -0.0084 0.0077 0.0003 3167 CYS 384 SG -0.0068 0.0065 -0.0001 3168 CYS 384 C -0.0109 0.0090 0.0007 3169 CYS 384 O -0.0109 0.0101 0.0016 3170 TRP 385 N -0.0122 0.0163 -0.0037 3171 TRP 385 H -0.0125 0.0170 -0.0026 3172 TRP 385 CA -0.0114 0.0142 -0.0030 3173 TRP 385 CB -0.0114 0.0142 -0.0004 3174 TRP 385 CG -0.0107 0.0123 0.0003 3175 TRP 385 CD1 -0.0100 0.0105 0.0016 3176 TRP 385 NE1 -0.0095 0.0092 0.0019 3177 TRP 385 HE1 -0.0090 0.0078 0.0028 3178 TRP 385 CE2 -0.0098 0.0101 0.0008 3179 TRP 385 CZ2 -0.0096 0.0094 0.0005 3180 TRP 385 CH2 -0.0100 0.0107 -0.0007 3181 TRP 385 CZ3 -0.0108 0.0127 -0.0018 3182 TRP 385 CE3 -0.0111 0.0133 -0.0016 3183 TRP 385 CD2 -0.0106 0.0121 -0.0003 3184 TRP 385 C -0.0107 0.0127 -0.0035 3185 TRP 385 O -0.0108 0.0127 -0.0024 3186 LEU 386 N -0.0101 0.0113 -0.0052 3187 LEU 386 H -0.0101 0.0113 -0.0060 3188 LEU 386 CA -0.0095 0.0098 -0.0061 3189 LEU 386 CB -0.0090 0.0088 -0.0084 3190 LEU 386 CG -0.0096 0.0104 -0.0104 3191 LEU 386 CD1 -0.0091 0.0092 -0.0126 3192 LEU 386 CD2 -0.0102 0.0119 -0.0111 3193 LEU 386 C -0.0088 0.0079 -0.0045 3194 LEU 386 O -0.0085 0.0072 -0.0031 3195 VAL 387 N -0.0092 0.0091 -0.0068 3196 VAL 387 H -0.0094 0.0086 -0.0058 3197 VAL 387 CA -0.0075 0.0086 -0.0052 3198 VAL 387 CB -0.0084 0.0071 -0.0021 3199 VAL 387 CG1 -0.0066 0.0066 -0.0003 3200 VAL 387 CG2 -0.0119 0.0064 -0.0020 3201 VAL 387 C -0.0042 0.0092 -0.0051 3202 VAL 387 O -0.0035 0.0092 -0.0047 3203 SER 388 N -0.0021 0.0098 -0.0055 3204 SER 388 H -0.0027 0.0099 -0.0059 3205 SER 388 CA 0.0012 0.0103 -0.0054 3206 SER 388 CB 0.0030 0.0116 -0.0075 3207 SER 388 OG 0.0019 0.0127 -0.0103 3208 SER 388 HG 0.0034 0.0136 -0.0115 3209 SER 388 C 0.0028 0.0093 -0.0025 3210 SER 388 O 0.0039 0.0089 -0.0012 3211 ASN 389 N 0.0084 0.0121 -0.0022 3212 ASN 389 H 0.0055 0.0130 -0.0056 3213 ASN 389 CA 0.0117 0.0095 0.0039 3214 ASN 389 CB 0.0176 0.0126 0.0036 3215 ASN 389 CG 0.0239 0.0169 0.0020 3216 ASN 389 OD1 0.0280 0.0162 0.0059 3217 ASN 389 ND2 0.0248 0.0215 -0.0040 3218 ASN 389 1HD2 0.0288 0.0244 -0.0054 3219 ASN 389 2HD2 0.0213 0.0219 -0.0071 3220 ASN 389 C 0.0059 0.0052 0.0059 3221 ASN 389 O 0.0034 0.0010 0.0102 3222 GLY 390 N 0.0038 0.0062 0.0029 3223 GLY 390 H 0.0059 0.0096 -0.0004 3224 GLY 390 CA -0.0018 0.0025 0.0043 3225 GLY 390 C -0.0079 0.0035 -0.0016 3226 GLY 390 O -0.0135 0.0004 -0.0011 3227 SER 391 N -0.0035 0.0098 -0.0000 3228 SER 391 H -0.0016 0.0113 0.0003 3229 SER 391 CA -0.0059 0.0104 -0.0027 3230 SER 391 CB -0.0057 0.0128 -0.0050 3231 SER 391 OG -0.0031 0.0153 -0.0052 3232 SER 391 HG -0.0037 0.0162 -0.0066 3233 SER 391 C -0.0060 0.0109 -0.0034 3234 SER 391 O -0.0039 0.0117 -0.0023 3235 TYR 392 N -0.0087 0.0103 -0.0052 3236 TYR 392 H -0.0103 0.0096 -0.0060 3237 TYR 392 CA -0.0096 0.0106 -0.0063 3238 TYR 392 CB -0.0129 0.0090 -0.0077 3239 TYR 392 CG -0.0138 0.0059 -0.0055 3240 TYR 392 CD1 -0.0145 0.0045 -0.0047 3241 TYR 392 CE1 -0.0154 0.0016 -0.0027 3242 TYR 392 CZ -0.0157 0.0002 -0.0015 3243 TYR 392 OH -0.0166 -0.0026 0.0005 3244 TYR 392 HH -0.0168 -0.0032 0.0010 3245 TYR 392 CE2 -0.0150 0.0017 -0.0023 3246 TYR 392 CD2 -0.0141 0.0045 -0.0044 3247 TYR 392 C -0.0085 0.0136 -0.0084 3248 TYR 392 O -0.0082 0.0152 -0.0097 3249 LEU 393 N -0.0040 0.0041 -0.0016 3250 LEU 393 H -0.0063 0.0095 -0.0057 3251 LEU 393 CA -0.0030 -0.0021 -0.0040 3252 LEU 393 CB -0.0056 -0.0010 -0.0138 3253 LEU 393 CG -0.0067 -0.0043 -0.0218 3254 LEU 393 CD1 -0.0096 -0.0017 -0.0312 3255 LEU 393 CD2 -0.0041 -0.0150 -0.0218 3256 LEU 393 C -0.0012 -0.0028 0.0028 3257 LEU 393 O -0.0012 0.0033 0.0091 3258 ASN 394 N 0.0005 -0.0108 0.0019 3259 ASN 394 H 0.0005 -0.0157 -0.0031 3260 ASN 394 CA 0.0024 -0.0131 0.0075 3261 ASN 394 CB 0.0047 -0.0236 0.0066 3262 ASN 394 CG 0.0072 -0.0296 0.0108 3263 ASN 394 OD1 0.0089 -0.0286 0.0191 3264 ASN 394 ND2 0.0073 -0.0360 0.0047 3265 ASN 394 1HD2 0.0089 -0.0402 0.0070 3266 ASN 394 2HD2 0.0059 -0.0365 -0.0020 3267 ASN 394 C 0.0004 -0.0078 0.0045 3268 ASN 394 O -0.0021 -0.0054 -0.0037 3269 GLU 395 N 0.0018 -0.0132 0.0065 3270 GLU 395 H 0.0024 -0.0154 0.0119 3271 GLU 395 CA 0.0025 -0.0080 0.0076 3272 GLU 395 CB 0.0041 -0.0067 0.0171 3273 GLU 395 CG 0.0055 -0.0015 0.0225 3274 GLU 395 CD 0.0056 -0.0067 0.0261 3275 GLU 395 OE1 0.0067 -0.0025 0.0301 3276 GLU 395 OE2 0.0046 -0.0148 0.0253 3277 GLU 395 C 0.0014 -0.0121 0.0036 3278 GLU 395 O 0.0013 -0.0076 -0.0000 3279 THR 396 N 0.0006 -0.0208 0.0040 3280 THR 396 H 0.0007 -0.0241 0.0069 3281 THR 396 CA -0.0005 -0.0261 0.0007 3282 THR 396 CB -0.0011 -0.0355 0.0030 3283 THR 396 CG2 -0.0021 -0.0413 0.0000 3284 THR 396 OG1 0.0003 -0.0364 0.0121 3285 THR 396 HG1 -0.0001 -0.0421 0.0132 3286 THR 396 C -0.0019 -0.0249 -0.0089 3287 THR 396 O -0.0025 -0.0251 -0.0121 3288 HIS 397 N -0.0007 -0.0196 -0.0072 3289 HIS 397 H -0.0005 -0.0195 -0.0032 3290 HIS 397 CA -0.0015 -0.0185 -0.0162 3291 HIS 397 CB -0.0015 -0.0188 -0.0177 3292 HIS 397 CG -0.0022 -0.0186 -0.0269 3293 HIS 397 ND1 -0.0033 -0.0112 -0.0315 3294 HIS 397 CE1 -0.0036 -0.0136 -0.0394 3295 HIS 397 NE2 -0.0027 -0.0221 -0.0403 3296 HIS 397 CD2 -0.0018 -0.0252 -0.0325 3297 HIS 397 C -0.0026 -0.0100 -0.0195 3298 HIS 397 O -0.0032 -0.0096 -0.0268 3299 PHE 398 N -0.0030 -0.0031 -0.0141 3300 PHE 398 H -0.0025 -0.0036 -0.0081 3301 PHE 398 CA -0.0041 0.0054 -0.0164 3302 PHE 398 CB -0.0047 0.0125 -0.0146 3303 PHE 398 CG -0.0050 0.0114 -0.0203 3304 PHE 398 CD1 -0.0044 0.0078 -0.0172 3305 PHE 398 CE1 -0.0047 0.0070 -0.0227 3306 PHE 398 CZ -0.0055 0.0096 -0.0313 3307 PHE 398 CE2 -0.0061 0.0131 -0.0344 3308 PHE 398 CD2 -0.0058 0.0140 -0.0289 3309 PHE 398 C -0.0041 0.0084 -0.0125 3310 PHE 398 O -0.0050 0.0161 -0.0126 3311 SER 399 N 0.0015 0.0050 -0.0065 3312 SER 399 H 0.0002 0.0033 -0.0068 3313 SER 399 CA 0.0019 0.0060 -0.0037 3314 SER 399 CB 0.0002 0.0041 -0.0017 3315 SER 399 OG -0.0010 0.0027 -0.0011 3316 SER 399 HG -0.0021 0.0015 -0.0001 3317 SER 399 C 0.0032 0.0076 -0.0038 3318 SER 399 O 0.0044 0.0094 -0.0022 3319 ASP 400 N 0.0030 0.0070 -0.0057 3320 ASP 400 H 0.0021 0.0056 -0.0070 3321 ASP 400 CA 0.0041 0.0084 -0.0061 3322 ASP 400 CB 0.0035 0.0072 -0.0082 3323 ASP 400 CG 0.0018 0.0052 -0.0069 3324 ASP 400 OD1 0.0012 0.0050 -0.0042 3325 ASP 400 OD2 0.0010 0.0039 -0.0087 3326 ASP 400 C 0.0061 0.0106 -0.0072 3327 ASP 400 O 0.0073 0.0124 -0.0062 3328 ASP 401 N 0.0020 0.0120 -0.0051 3329 ASP 401 H 0.0020 0.0118 -0.0050 3330 ASP 401 CA 0.0016 0.0143 -0.0055 3331 ASP 401 CB 0.0012 0.0157 -0.0058 3332 ASP 401 CG 0.0007 0.0180 -0.0064 3333 ASP 401 OD1 -0.0004 0.0182 -0.0076 3334 ASP 401 OD2 0.0015 0.0195 -0.0055 3335 ASP 401 C 0.0028 0.0153 -0.0041 3336 ASP 401 O 0.0025 0.0165 -0.0044 3337 ILE 402 N 0.0042 0.0148 -0.0025 3338 ILE 402 H 0.0043 0.0139 -0.0024 3339 ILE 402 CA 0.0054 0.0157 -0.0011 3340 ILE 402 CB 0.0068 0.0151 0.0004 3341 ILE 402 CG2 0.0082 0.0157 0.0020 3342 ILE 402 CG1 0.0067 0.0163 0.0004 3343 ILE 402 CD1 0.0078 0.0155 0.0016 3344 ILE 402 C 0.0056 0.0148 -0.0010 3345 ILE 402 O 0.0058 0.0161 -0.0006 3346 GLU 403 N 0.0075 0.0098 -0.0016 3347 GLU 403 H 0.0071 0.0100 -0.0016 3348 GLU 403 CA 0.0077 0.0072 -0.0017 3349 GLU 403 CB 0.0073 0.0051 -0.0018 3350 GLU 403 CG 0.0097 0.0049 -0.0016 3351 GLU 403 CD 0.0091 0.0030 -0.0017 3352 GLU 403 OE1 0.0069 0.0020 -0.0019 3353 GLU 403 OE2 0.0110 0.0026 -0.0016 3354 GLU 403 C 0.0056 0.0067 -0.0018 3355 GLU 403 O 0.0061 0.0054 -0.0018 3356 GLN 404 N 0.0032 0.0077 -0.0019 3357 GLN 404 H 0.0029 0.0088 -0.0019 3358 GLN 404 CA 0.0010 0.0075 -0.0021 3359 GLN 404 CB -0.0015 0.0086 -0.0022 3360 GLN 404 CG -0.0026 0.0070 -0.0024 3361 GLN 404 CD -0.0049 0.0084 -0.0025 3362 GLN 404 OE1 -0.0061 0.0103 -0.0025 3363 GLN 404 NE2 -0.0055 0.0074 -0.0025 3364 GLN 404 1HE2 -0.0070 0.0082 -0.0026 3365 GLN 404 2HE2 -0.0045 0.0060 -0.0025 3366 GLN 404 C 0.0016 0.0088 -0.0020 3367 GLN 404 O 0.0009 0.0078 -0.0021 3368 GLN 405 N 0.0007 0.0073 -0.0002 3369 GLN 405 H 0.0014 0.0083 -0.0001 3370 GLN 405 CA 0.0009 0.0079 -0.0001 3371 GLN 405 CB 0.0020 0.0101 0.0001 3372 GLN 405 CG 0.0008 0.0120 0.0008 3373 GLN 405 CD 0.0021 0.0140 0.0009 3374 GLN 405 OE1 0.0035 0.0141 0.0006 3375 GLN 405 NE2 0.0017 0.0157 0.0014 3376 GLN 405 1HE2 0.0025 0.0170 0.0015 3377 GLN 405 2HE2 0.0006 0.0155 0.0016 3378 GLN 405 C 0.0023 0.0064 -0.0007 3379 GLN 405 O 0.0018 0.0059 -0.0007 3380 ALA 406 N 0.0039 0.0057 -0.0013 3381 ALA 406 H 0.0043 0.0062 -0.0012 3382 ALA 406 CA 0.0053 0.0042 -0.0019 3383 ALA 406 CB 0.0072 0.0038 -0.0024 3384 ALA 406 C 0.0042 0.0022 -0.0021 3385 ALA 406 O 0.0045 0.0013 -0.0023 3386 ASP 407 N 0.0061 0.0021 -0.0027 3387 ASP 407 H 0.0061 0.0033 -0.0022 3388 ASP 407 CA 0.0046 -0.0003 -0.0029 3389 ASP 407 CB 0.0035 -0.0006 -0.0025 3390 ASP 407 CG 0.0023 -0.0033 -0.0029 3391 ASP 407 OD1 0.0037 -0.0050 -0.0041 3392 ASP 407 OD2 0.0001 -0.0037 -0.0021 3393 ASP 407 C 0.0026 -0.0005 -0.0020 3394 ASP 407 O 0.0020 -0.0026 -0.0025 3395 ASN 408 N 0.0015 0.0015 -0.0008 3396 ASN 408 H 0.0020 0.0031 -0.0005 3397 ASN 408 CA -0.0004 0.0016 0.0001 3398 ASN 408 CB -0.0014 0.0041 0.0014 3399 ASN 408 CG -0.0028 0.0045 0.0022 3400 ASN 408 OD1 -0.0037 0.0028 0.0020 3401 ASN 408 ND2 -0.0030 0.0069 0.0031 3402 ASN 408 1HD2 -0.0038 0.0073 0.0036 3403 ASN 408 2HD2 -0.0022 0.0083 0.0033 3404 ASN 408 C 0.0004 0.0011 -0.0005 3405 ASN 408 O -0.0009 -0.0002 -0.0004 3406 MET 409 N 0.0010 0.0012 -0.0003 3407 MET 409 H 0.0019 0.0015 -0.0001 3408 MET 409 CA 0.0012 0.0014 -0.0002 3409 MET 409 CB 0.0029 0.0022 0.0004 3410 MET 409 CG 0.0029 0.0037 0.0015 3411 MET 409 SD 0.0013 0.0046 0.0024 3412 MET 409 CE 0.0024 0.0045 0.0022 3413 MET 409 C 0.0011 0.0001 -0.0012 3414 MET 409 O 0.0003 0.0001 -0.0012 3415 ILE 410 N 0.0019 -0.0010 -0.0021 3416 ILE 410 H 0.0025 -0.0009 -0.0020 3417 ILE 410 CA 0.0019 -0.0023 -0.0031 3418 ILE 410 CB 0.0030 -0.0033 -0.0039 3419 ILE 410 CG2 0.0028 -0.0047 -0.0051 3420 ILE 410 CG1 0.0049 -0.0028 -0.0036 3421 ILE 410 CD1 0.0061 -0.0035 -0.0043 3422 ILE 410 C 0.0000 -0.0028 -0.0035 3423 ILE 410 O -0.0005 -0.0033 -0.0038 3424 THR 411 N 0.0016 -0.0032 -0.0029 3425 THR 411 H 0.0018 -0.0028 -0.0027 3426 THR 411 CA 0.0001 -0.0037 -0.0031 3427 THR 411 CB -0.0008 -0.0035 -0.0030 3428 THR 411 CG2 -0.0024 -0.0039 -0.0033 3429 THR 411 OG1 -0.0002 -0.0043 -0.0034 3430 THR 411 HG1 0.0007 -0.0038 -0.0031 3431 THR 411 C -0.0006 -0.0029 -0.0027 3432 THR 411 O -0.0013 -0.0035 -0.0030 3433 GLU 412 N -0.0003 -0.0015 -0.0021 3434 GLU 412 H 0.0003 -0.0011 -0.0019 3435 GLU 412 CA -0.0008 -0.0007 -0.0017 3436 GLU 412 CB -0.0005 0.0008 -0.0009 3437 GLU 412 CG -0.0014 0.0015 -0.0007 3438 GLU 412 CD -0.0009 0.0030 0.0001 3439 GLU 412 OE1 0.0001 0.0035 0.0003 3440 GLU 412 OE2 -0.0016 0.0035 0.0003 3441 GLU 412 C -0.0002 -0.0010 -0.0018 3442 GLU 412 O -0.0010 -0.0009 -0.0018 3443 MET 413 N 0.0010 -0.0009 -0.0033 3444 MET 413 H 0.0003 -0.0011 -0.0033 3445 MET 413 CA 0.0018 -0.0009 -0.0029 3446 MET 413 CB 0.0015 -0.0010 -0.0026 3447 MET 413 CG 0.0013 -0.0008 -0.0035 3448 MET 413 SD 0.0010 -0.0009 -0.0033 3449 MET 413 CE 0.0022 -0.0008 -0.0029 3450 MET 413 C 0.0022 -0.0010 -0.0020 3451 MET 413 O 0.0031 -0.0009 -0.0019 3452 LEU 414 N 0.0016 -0.0013 -0.0014 3453 LEU 414 H 0.0009 -0.0014 -0.0015 3454 LEU 414 CA 0.0019 -0.0015 -0.0005 3455 LEU 414 CB 0.0011 -0.0018 0.0001 3456 LEU 414 CG 0.0005 -0.0021 0.0006 3457 LEU 414 CD1 -0.0004 -0.0024 0.0010 3458 LEU 414 CD2 0.0012 -0.0021 0.0013 3459 LEU 414 C 0.0025 -0.0013 -0.0008 3460 LEU 414 O 0.0033 -0.0013 -0.0003 3461 GLN 415 N 0.0032 -0.0004 -0.0017 3462 GLN 415 H 0.0029 -0.0008 -0.0020 3463 GLN 415 CA 0.0025 0.0011 -0.0030 3464 GLN 415 CB 0.0011 0.0013 -0.0047 3465 GLN 415 CG -0.0001 -0.0008 -0.0054 3466 GLN 415 CD -0.0015 -0.0007 -0.0071 3467 GLN 415 OE1 -0.0017 0.0008 -0.0078 3468 GLN 415 NE2 -0.0025 -0.0025 -0.0077 3469 GLN 415 1HE2 -0.0035 -0.0026 -0.0088 3470 GLN 415 2HE2 -0.0023 -0.0038 -0.0070 3471 GLN 415 C 0.0035 0.0032 -0.0026 3472 GLN 415 O 0.0034 0.0042 -0.0031 3473 LYS 416 N 0.0046 0.0039 -0.0015 3474 LYS 416 H 0.0047 0.0030 -0.0011 3475 LYS 416 CA 0.0057 0.0058 -0.0010 3476 LYS 416 CB 0.0067 0.0063 0.0000 3477 LYS 416 CG 0.0079 0.0083 0.0007 3478 LYS 416 CD 0.0087 0.0087 0.0015 3479 LYS 416 CE 0.0100 0.0106 0.0025 3480 LYS 416 NZ 0.0096 0.0126 0.0013 3481 LYS 416 HZ1 0.0087 0.0126 0.0002 3482 LYS 416 HZ2 0.0105 0.0138 0.0019 3483 LYS 416 HZ3 0.0095 0.0128 0.0010 3484 LYS 416 C 0.0066 0.0057 0.0002 3485 LYS 416 O 0.0070 0.0073 0.0001 3486 GLU 417 N 0.0113 0.0046 -0.0018 3487 GLU 417 H 0.0098 0.0027 -0.0017 3488 GLU 417 CA 0.0134 0.0038 0.0010 3489 GLU 417 CB 0.0133 0.0005 0.0038 3490 GLU 417 CG 0.0147 0.0007 0.0050 3491 GLU 417 CD 0.0144 -0.0027 0.0076 3492 GLU 417 OE1 0.0156 -0.0027 0.0089 3493 GLU 417 OE2 0.0129 -0.0053 0.0083 3494 GLU 417 C 0.0128 0.0037 0.0005 3495 GLU 417 O 0.0150 0.0047 0.0019 3496 TYR 418 N 0.0098 0.0025 -0.0015 3497 TYR 418 H 0.0081 0.0017 -0.0026 3498 TYR 418 CA 0.0088 0.0021 -0.0022 3499 TYR 418 CB 0.0052 0.0004 -0.0044 3500 TYR 418 CG 0.0037 -0.0033 -0.0027 3501 TYR 418 CD1 0.0045 -0.0054 -0.0001 3502 TYR 418 CE1 0.0030 -0.0089 0.0014 3503 TYR 418 CZ 0.0008 -0.0102 0.0003 3504 TYR 418 OH -0.0007 -0.0137 0.0018 3505 TYR 418 HH 0.0001 -0.0148 0.0035 3506 TYR 418 CE2 -0.0001 -0.0081 -0.0024 3507 TYR 418 CD2 0.0014 -0.0046 -0.0039 3508 TYR 418 C 0.0101 0.0053 -0.0037 3509 TYR 418 O 0.0107 0.0053 -0.0030 3510 ILE 419 N 0.0117 0.0035 0.0003 3511 ILE 419 H 0.0119 0.0015 0.0014 3512 ILE 419 CA 0.0106 -0.0014 0.0024 3513 ILE 419 CB 0.0116 -0.0085 0.0065 3514 ILE 419 CG2 0.0194 -0.0082 0.0094 3515 ILE 419 CG1 0.0061 -0.0119 0.0061 3516 ILE 419 CD1 0.0062 -0.0194 0.0101 3517 ILE 419 C 0.0036 -0.0015 -0.0003 3518 ILE 419 O 0.0032 -0.0027 0.0002 3519 ASP 420 N -0.0020 -0.0002 -0.0031 3520 ASP 420 H -0.0015 0.0009 -0.0035 3521 ASP 420 CA -0.0090 -0.0002 -0.0059 3522 ASP 420 CB -0.0147 -0.0007 -0.0079 3523 ASP 420 CG -0.0166 -0.0080 -0.0048 3524 ASP 420 OD1 -0.0204 -0.0122 -0.0040 3525 ASP 420 OD2 -0.0142 -0.0094 -0.0031 3526 ASP 420 C -0.0090 0.0064 -0.0093 3527 ASP 420 O -0.0070 0.0120 -0.0114 3528 ASP 420 OXT -0.0112 0.0059 -0.0099