1 LYS 1 N -0.0014 -0.0018 -0.0004 2 LYS 1 CA -0.0018 0.0016 0.0023 3 LYS 1 C -0.0015 0.0041 0.0003 4 LYS 1 O -0.0011 0.0024 -0.0017 5 LYS 1 CB -0.0025 -0.0003 0.0061 6 LYS 1 CG -0.0031 0.0021 0.0090 7 LYS 1 CD -0.0037 -0.0004 0.0125 8 LYS 1 CE -0.0043 0.0022 0.0155 9 LYS 1 NZ -0.0049 -0.0000 0.0191 10 LYS 1 H1 -0.0016 -0.0035 0.0008 11 LYS 1 H2 -0.0009 -0.0007 -0.0030 12 LYS 1 H3 -0.0013 -0.0036 -0.0009 13 LYS 1 HA -0.0019 0.0034 0.0029 14 LYS 1 HB3 -0.0024 -0.0030 0.0053 15 LYS 1 HB2 -0.0028 -0.0020 0.0076 16 LYS 1 HG3 -0.0032 0.0046 0.0100 17 LYS 1 HG2 -0.0028 0.0036 0.0075 18 LYS 1 HD3 -0.0035 -0.0028 0.0115 19 LYS 1 HD2 -0.0040 -0.0017 0.0140 20 LYS 1 HE3 -0.0044 0.0049 0.0162 21 LYS 1 HE2 -0.0040 0.0031 0.0141 22 LYS 1 HZ1 -0.0053 0.0018 0.0211 23 LYS 1 HZ2 -0.0052 -0.0011 0.0203 24 LYS 1 HZ3 -0.0048 -0.0024 0.0185 25 VAL 2 N 0.0123 -0.0013 -0.0111 26 VAL 2 CA 0.0164 0.0046 -0.0072 27 VAL 2 C 0.0141 0.0076 0.0019 28 VAL 2 O 0.0152 0.0097 0.0038 29 VAL 2 CB 0.0242 0.0096 -0.0111 30 VAL 2 CG1 0.0280 0.0155 -0.0068 31 VAL 2 CG2 0.0263 0.0064 -0.0203 32 VAL 2 H 0.0136 -0.0010 -0.0126 33 VAL 2 HA 0.0152 0.0034 -0.0075 34 VAL 2 HB 0.0255 0.0111 -0.0107 35 VAL 2 HG11 0.0336 0.0190 -0.0097 36 VAL 2 HG12 0.0265 0.0178 -0.0004 37 VAL 2 HG13 0.0267 0.0141 -0.0072 38 VAL 2 HG21 0.0319 0.0099 -0.0232 39 VAL 2 HG22 0.0249 0.0048 -0.0208 40 VAL 2 HG23 0.0237 0.0022 -0.0234 41 PHE 3 N 0.0069 -0.0025 -0.0031 42 PHE 3 CA 0.0078 -0.0029 -0.0003 43 PHE 3 C 0.0114 -0.0027 0.0016 44 PHE 3 O 0.0122 -0.0028 0.0023 45 PHE 3 CB 0.0050 -0.0038 0.0026 46 PHE 3 CG 0.0016 -0.0041 0.0016 47 PHE 3 CD1 -0.0011 -0.0040 -0.0007 48 PHE 3 CD2 0.0011 -0.0044 0.0028 49 PHE 3 CE1 -0.0041 -0.0043 -0.0016 50 PHE 3 CE2 -0.0019 -0.0046 0.0019 51 PHE 3 CZ -0.0046 -0.0046 -0.0002 52 PHE 3 H 0.0049 -0.0029 -0.0026 53 PHE 3 HA 0.0081 -0.0026 -0.0016 54 PHE 3 HB3 0.0062 -0.0041 0.0050 55 PHE 3 HB2 0.0042 -0.0041 0.0034 56 PHE 3 HD1 -0.0007 -0.0038 -0.0018 57 PHE 3 HD2 0.0031 -0.0044 0.0046 58 PHE 3 HE1 -0.0062 -0.0043 -0.0034 59 PHE 3 HE2 -0.0021 -0.0048 0.0028 60 PHE 3 HZ -0.0071 -0.0049 -0.0009 61 GLU 4 N 0.0197 -0.0237 -0.0088 62 GLU 4 CA 0.0159 -0.0072 -0.0096 63 GLU 4 C 0.0174 -0.0002 -0.0127 64 GLU 4 O 0.0169 -0.0086 -0.0100 65 GLU 4 CB 0.0029 -0.0032 0.0013 66 GLU 4 CG 0.0011 -0.0093 0.0044 67 GLU 4 CD -0.0117 -0.0079 0.0158 68 GLU 4 OE1 -0.0176 0.0053 0.0178 69 GLU 4 OE2 -0.0157 -0.0204 0.0226 70 GLU 4 H 0.0134 -0.0305 -0.0013 71 GLU 4 HA 0.0216 -0.0023 -0.0160 72 GLU 4 HB3 0.0000 0.0095 0.0007 73 GLU 4 HB2 -0.0028 -0.0082 0.0078 74 GLU 4 HG3 0.0055 -0.0215 0.0036 75 GLU 4 HG2 0.0060 -0.0032 -0.0015 76 ARG 5 N 0.0149 0.0043 -0.0204 77 ARG 5 CA 0.0133 0.0002 -0.0177 78 ARG 5 C 0.0104 -0.0062 -0.0057 79 ARG 5 O 0.0067 -0.0162 -0.0052 80 ARG 5 CB 0.0170 0.0102 -0.0182 81 ARG 5 CG 0.0158 0.0072 -0.0152 82 ARG 5 CD 0.0198 0.0179 -0.0166 83 ARG 5 NE 0.0227 0.0264 -0.0072 84 ARG 5 CZ 0.0225 0.0269 0.0036 85 ARG 5 NH1 0.0193 0.0189 0.0070 86 ARG 5 NH2 0.0254 0.0356 0.0113 87 ARG 5 H 0.0181 0.0127 -0.0226 88 ARG 5 HA 0.0113 -0.0058 -0.0250 89 ARG 5 HB3 0.0193 0.0170 -0.0120 90 ARG 5 HB2 0.0188 0.0141 -0.0272 91 ARG 5 HG3 0.0135 0.0006 -0.0215 92 ARG 5 HG2 0.0143 0.0042 -0.0058 93 ARG 5 HD3 0.0216 0.0217 -0.0255 94 ARG 5 HD2 0.0189 0.0154 -0.0166 95 ARG 5 HE 0.0250 0.0324 -0.0093 96 ARG 5 HH12 0.0192 0.0195 0.0152 97 ARG 5 HH11 0.0170 0.0122 0.0013 98 ARG 5 HH22 0.0253 0.0360 0.0195 99 ARG 5 HH21 0.0278 0.0417 0.0090 100 CYS 6 N 0.0124 -0.0057 -0.0062 101 CYS 6 CA 0.0085 -0.0069 -0.0007 102 CYS 6 C 0.0048 -0.0124 -0.0006 103 CYS 6 O 0.0013 -0.0148 0.0027 104 CYS 6 CB 0.0089 -0.0025 0.0040 105 CYS 6 SG 0.0124 0.0039 0.0054 106 CYS 6 H 0.0145 -0.0031 -0.0069 107 CYS 6 HA 0.0080 -0.0069 0.0003 108 CYS 6 HB3 0.0058 -0.0037 0.0078 109 CYS 6 HB2 0.0098 -0.0020 0.0028 110 GLU 7 N 0.0011 -0.0170 0.0031 111 GLU 7 CA 0.0015 -0.0176 0.0037 112 GLU 7 C 0.0027 -0.0176 0.0034 113 GLU 7 O 0.0030 -0.0176 0.0034 114 GLU 7 CB 0.0014 -0.0185 0.0045 115 GLU 7 CG 0.0018 -0.0192 0.0052 116 GLU 7 CD 0.0019 -0.0200 0.0059 117 GLU 7 OE1 0.0020 -0.0200 0.0059 118 GLU 7 OE2 0.0020 -0.0206 0.0065 119 GLU 7 H 0.0008 -0.0171 0.0033 120 GLU 7 HA 0.0009 -0.0176 0.0037 121 GLU 7 HB3 0.0019 -0.0185 0.0044 122 GLU 7 HB2 0.0006 -0.0185 0.0047 123 GLU 7 HG3 0.0012 -0.0192 0.0053 124 GLU 7 HG2 0.0026 -0.0191 0.0050 125 LEU 8 N 0.0012 -0.0080 -0.0020 126 LEU 8 CA 0.0002 -0.0085 -0.0020 127 LEU 8 C -0.0005 -0.0084 -0.0004 128 LEU 8 O -0.0017 -0.0089 -0.0002 129 LEU 8 CB 0.0008 -0.0083 -0.0026 130 LEU 8 CG -0.0001 -0.0087 -0.0027 131 LEU 8 CD1 -0.0014 -0.0094 -0.0036 132 LEU 8 CD2 0.0007 -0.0085 -0.0032 133 LEU 8 H 0.0022 -0.0076 -0.0022 134 LEU 8 HA -0.0006 -0.0090 -0.0027 135 LEU 8 HB3 0.0017 -0.0078 -0.0019 136 LEU 8 HB2 0.0014 -0.0083 -0.0037 137 LEU 8 HG -0.0006 -0.0087 -0.0015 138 LEU 8 HD11 -0.0020 -0.0097 -0.0036 139 LEU 8 HD12 -0.0019 -0.0096 -0.0031 140 LEU 8 HD13 -0.0009 -0.0095 -0.0047 141 LEU 8 HD21 -0.0001 -0.0088 -0.0033 142 LEU 8 HD22 0.0012 -0.0086 -0.0043 143 LEU 8 HD23 0.0015 -0.0080 -0.0025 144 ALA 9 N -0.0018 -0.0114 -0.0015 145 ALA 9 CA -0.0029 -0.0100 0.0003 146 ALA 9 C -0.0054 -0.0105 0.0007 147 ALA 9 O -0.0068 -0.0103 0.0015 148 ALA 9 CB -0.0017 -0.0084 0.0015 149 ALA 9 H -0.0005 -0.0111 -0.0018 150 ALA 9 HA -0.0027 -0.0099 0.0004 151 ALA 9 HB1 -0.0025 -0.0074 0.0028 152 ALA 9 HB2 0.0001 -0.0081 0.0012 153 ALA 9 HB3 -0.0017 -0.0085 0.0014 154 ARG 10 N -0.0026 -0.0140 0.0051 155 ARG 10 CA -0.0067 -0.0131 0.0032 156 ARG 10 C -0.0076 -0.0132 0.0026 157 ARG 10 O -0.0103 -0.0109 0.0021 158 ARG 10 CB -0.0085 -0.0159 0.0009 159 ARG 10 CG -0.0087 -0.0154 0.0011 160 ARG 10 CD -0.0110 -0.0180 -0.0014 161 ARG 10 NE -0.0092 -0.0221 -0.0022 162 ARG 10 CZ -0.0066 -0.0239 -0.0016 163 ARG 10 NH1 -0.0056 -0.0221 -0.0002 164 ARG 10 NH2 -0.0050 -0.0276 -0.0023 165 ARG 10 H -0.0014 -0.0164 0.0047 166 ARG 10 HA -0.0078 -0.0102 0.0039 167 ARG 10 HB3 -0.0113 -0.0158 -0.0006 168 ARG 10 HB2 -0.0071 -0.0189 0.0004 169 ARG 10 HG3 -0.0059 -0.0161 0.0023 170 ARG 10 HG2 -0.0099 -0.0124 0.0017 171 ARG 10 HD3 -0.0116 -0.0172 -0.0014 172 ARG 10 HD2 -0.0137 -0.0176 -0.0028 173 ARG 10 HE -0.0101 -0.0236 -0.0034 174 ARG 10 HH12 -0.0036 -0.0235 0.0003 175 ARG 10 HH11 -0.0068 -0.0193 0.0004 176 ARG 10 HH22 -0.0030 -0.0289 -0.0018 177 ARG 10 HH21 -0.0058 -0.0291 -0.0034 178 THR 11 N -0.0023 -0.0053 0.0048 179 THR 11 CA -0.0014 -0.0040 0.0058 180 THR 11 C -0.0006 -0.0028 0.0059 181 THR 11 O 0.0002 -0.0015 0.0054 182 THR 11 CB -0.0016 -0.0045 0.0076 183 THR 11 OG1 -0.0024 -0.0056 0.0074 184 THR 11 CG2 -0.0007 -0.0032 0.0087 185 THR 11 H -0.0029 -0.0063 0.0055 186 THR 11 HA -0.0012 -0.0036 0.0050 187 THR 11 HB -0.0019 -0.0050 0.0084 188 THR 11 HG1 -0.0030 -0.0065 0.0072 189 THR 11 HG21 -0.0009 -0.0036 0.0100 190 THR 11 HG22 -0.0002 -0.0024 0.0088 191 THR 11 HG23 -0.0004 -0.0027 0.0079 192 LEU 12 N -0.0048 -0.0006 0.0040 193 LEU 12 CA -0.0045 -0.0012 0.0033 194 LEU 12 C -0.0036 -0.0019 0.0027 195 LEU 12 O -0.0028 -0.0022 0.0024 196 LEU 12 CB -0.0057 -0.0015 0.0027 197 LEU 12 CG -0.0066 -0.0010 0.0033 198 LEU 12 CD1 -0.0078 -0.0014 0.0026 199 LEU 12 CD2 -0.0061 -0.0007 0.0037 200 LEU 12 H -0.0057 -0.0005 0.0040 201 LEU 12 HA -0.0041 -0.0009 0.0037 202 LEU 12 HB3 -0.0054 -0.0021 0.0021 203 LEU 12 HB2 -0.0061 -0.0018 0.0023 204 LEU 12 HG -0.0069 -0.0005 0.0038 205 LEU 12 HD11 -0.0084 -0.0009 0.0030 206 LEU 12 HD12 -0.0082 -0.0015 0.0023 207 LEU 12 HD13 -0.0075 -0.0019 0.0020 208 LEU 12 HD21 -0.0067 -0.0002 0.0041 209 LEU 12 HD22 -0.0057 -0.0011 0.0032 210 LEU 12 HD23 -0.0053 -0.0003 0.0043 211 LYS 13 N 0.0041 -0.0114 0.0041 212 LYS 13 CA -0.0026 -0.0038 0.0027 213 LYS 13 C -0.0081 -0.0084 0.0035 214 LYS 13 O -0.0084 -0.0038 0.0027 215 LYS 13 CB -0.0103 0.0005 0.0020 216 LYS 13 CG -0.0172 0.0088 0.0005 217 LYS 13 CD -0.0202 0.0167 -0.0009 218 LYS 13 CE -0.0253 0.0260 -0.0025 219 LYS 13 NZ -0.0262 0.0345 -0.0040 220 LYS 13 H 0.0025 -0.0136 0.0045 221 LYS 13 HA 0.0024 0.0024 0.0016 222 LYS 13 HB3 -0.0151 -0.0056 0.0031 223 LYS 13 HB2 -0.0061 0.0036 0.0014 224 LYS 13 HG3 -0.0131 0.0126 -0.0001 225 LYS 13 HG2 -0.0241 0.0053 0.0011 226 LYS 13 HD3 -0.0258 0.0134 -0.0003 227 LYS 13 HD2 -0.0134 0.0193 -0.0013 228 LYS 13 HE3 -0.0205 0.0284 -0.0029 229 LYS 13 HE2 -0.0331 0.0238 -0.0021 230 LYS 13 HZ1 -0.0273 0.0315 -0.0035 231 LYS 13 HZ2 -0.0323 0.0390 -0.0048 232 LYS 13 HZ3 -0.0196 0.0386 -0.0047 233 ARG 14 N 0.0116 -0.0041 0.0066 234 ARG 14 CA 0.0201 0.0058 0.0035 235 ARG 14 C 0.0236 0.0166 0.0102 236 ARG 14 O 0.0314 0.0243 0.0058 237 ARG 14 CB 0.0189 0.0073 0.0074 238 ARG 14 CG 0.0193 -0.0001 -0.0020 239 ARG 14 CD 0.0217 0.0047 -0.0004 240 ARG 14 NE 0.0157 0.0058 0.0111 241 ARG 14 CZ 0.0083 -0.0025 0.0143 242 ARG 14 NH1 0.0062 -0.0122 0.0065 243 ARG 14 NH2 0.0031 -0.0007 0.0255 244 ARG 14 H 0.0065 -0.0082 0.0107 245 ARG 14 HA 0.0247 0.0046 -0.0059 246 ARG 14 HB3 0.0240 0.0161 0.0089 247 ARG 14 HB2 0.0127 0.0051 0.0156 248 ARG 14 HG3 0.0130 -0.0086 -0.0010 249 ARG 14 HG2 0.0242 -0.0002 -0.0107 250 ARG 14 HD3 0.0217 -0.0007 -0.0069 251 ARG 14 HD2 0.0282 0.0129 -0.0021 252 ARG 14 HE 0.0174 0.0133 0.0170 253 ARG 14 HH12 0.0005 -0.0185 0.0089 254 ARG 14 HH11 0.0102 -0.0134 -0.0020 255 ARG 14 HH22 -0.0026 -0.0067 0.0282 256 ARG 14 HH21 0.0048 0.0068 0.0313 257 LEU 15 N 0.0073 0.0067 0.0099 258 LEU 15 CA 0.0086 0.0049 0.0090 259 LEU 15 C 0.0094 0.0043 0.0071 260 LEU 15 O 0.0106 0.0028 0.0061 261 LEU 15 CB 0.0086 0.0052 0.0082 262 LEU 15 CG 0.0082 0.0052 0.0101 263 LEU 15 CD1 0.0080 0.0058 0.0092 264 LEU 15 CD2 0.0092 0.0032 0.0115 265 LEU 15 H 0.0066 0.0080 0.0092 266 LEU 15 HA 0.0091 0.0037 0.0104 267 LEU 15 HB3 0.0095 0.0041 0.0071 268 LEU 15 HB2 0.0080 0.0066 0.0071 269 LEU 15 HG 0.0073 0.0063 0.0113 270 LEU 15 HD11 0.0077 0.0058 0.0106 271 LEU 15 HD12 0.0072 0.0073 0.0083 272 LEU 15 HD13 0.0089 0.0048 0.0080 273 LEU 15 HD21 0.0089 0.0033 0.0129 274 LEU 15 HD22 0.0101 0.0021 0.0104 275 LEU 15 HD23 0.0093 0.0028 0.0123 276 GLY 16 N 0.0161 0.0142 0.0102 277 GLY 16 CA 0.0199 0.0160 0.0043 278 GLY 16 C 0.0171 0.0142 0.0058 279 GLY 16 O 0.0210 0.0165 0.0028 280 GLY 16 H 0.0119 0.0108 0.0075 281 GLY 16 HA3 0.0260 0.0205 0.0050 282 GLY 16 HA2 0.0197 0.0146 -0.0029 283 MET 17 N 0.0039 0.0103 0.0065 284 MET 17 CA 0.0033 0.0104 0.0051 285 MET 17 C 0.0030 0.0105 0.0043 286 MET 17 O 0.0027 0.0103 0.0031 287 MET 17 CB 0.0025 0.0114 0.0051 288 MET 17 CG 0.0029 0.0112 0.0057 289 MET 17 SD 0.0033 0.0103 0.0045 290 MET 17 CE 0.0023 0.0112 0.0039 291 MET 17 H 0.0036 0.0110 0.0072 292 MET 17 HA 0.0038 0.0097 0.0047 293 MET 17 HB3 0.0021 0.0115 0.0041 294 MET 17 HB2 0.0021 0.0122 0.0057 295 MET 17 HG3 0.0023 0.0120 0.0059 296 MET 17 HG2 0.0034 0.0110 0.0066 297 MET 17 HE1 0.0024 0.0107 0.0031 298 MET 17 HE2 0.0022 0.0116 0.0047 299 MET 17 HE3 0.0017 0.0118 0.0034 300 ASP 18 N 0.0087 0.0145 -0.0032 301 ASP 18 CA 0.0042 0.0081 -0.0131 302 ASP 18 C 0.0115 0.0087 -0.0206 303 ASP 18 O 0.0200 0.0109 -0.0258 304 ASP 18 CB 0.0013 0.0042 -0.0189 305 ASP 18 CG -0.0056 -0.0029 -0.0275 306 ASP 18 OD1 -0.0112 -0.0057 -0.0273 307 ASP 18 OD2 -0.0055 -0.0059 -0.0348 308 ASP 18 H 0.0114 0.0164 -0.0020 309 ASP 18 HA -0.0032 0.0055 -0.0104 310 ASP 18 HB3 0.0086 0.0064 -0.0226 311 ASP 18 HB2 -0.0028 0.0047 -0.0127 312 GLY 19 N 0.0061 0.0039 -0.0210 313 GLY 19 CA 0.0096 -0.0067 -0.0275 314 GLY 19 C 0.0106 0.0134 -0.0190 315 GLY 19 O 0.0159 0.0069 -0.0246 316 GLY 19 H -0.0126 0.0008 -0.0130 317 GLY 19 HA3 0.0277 -0.0153 -0.0404 318 GLY 19 HA2 -0.0062 -0.0240 -0.0273 319 TYR 20 N 0.0038 0.0171 0.0102 320 TYR 20 CA 0.0043 0.0149 0.0095 321 TYR 20 C 0.0035 0.0137 0.0062 322 TYR 20 O 0.0021 0.0155 0.0045 323 TYR 20 CB 0.0041 0.0162 0.0101 324 TYR 20 CG 0.0049 0.0139 0.0099 325 TYR 20 CD1 0.0063 0.0123 0.0121 326 TYR 20 CD2 0.0041 0.0132 0.0074 327 TYR 20 CE1 0.0070 0.0101 0.0119 328 TYR 20 CE2 0.0048 0.0110 0.0071 329 TYR 20 CZ 0.0063 0.0094 0.0093 330 TYR 20 OH 0.0070 0.0072 0.0090 331 TYR 20 H 0.0033 0.0192 0.0108 332 TYR 20 HA 0.0055 0.0131 0.0107 333 TYR 20 HB3 0.0029 0.0178 0.0086 334 TYR 20 HB2 0.0046 0.0174 0.0123 335 TYR 20 HD1 0.0070 0.0128 0.0141 336 TYR 20 HD2 0.0030 0.0144 0.0055 337 TYR 20 HE1 0.0082 0.0090 0.0137 338 TYR 20 HE2 0.0042 0.0104 0.0050 339 TYR 20 HH 0.0080 0.0065 0.0109 340 ARG 21 N -0.0005 0.0080 0.0226 341 ARG 21 CA -0.0019 0.0044 0.0136 342 ARG 21 C -0.0055 0.0090 0.0088 343 ARG 21 O -0.0084 0.0097 0.0012 344 ARG 21 CB -0.0030 0.0036 0.0092 345 ARG 21 CG 0.0011 -0.0030 0.0125 346 ARG 21 CD 0.0026 -0.0110 0.0063 347 ARG 21 NE -0.0008 -0.0095 -0.0020 348 ARG 21 CZ -0.0016 -0.0134 -0.0095 349 ARG 21 NH1 0.0016 -0.0206 -0.0097 350 ARG 21 NH2 -0.0055 -0.0101 -0.0167 351 ARG 21 H 0.0027 0.0042 0.0270 352 ARG 21 HA 0.0009 -0.0018 0.0136 353 ARG 21 HB3 -0.0046 0.0022 0.0023 354 ARG 21 HB2 -0.0053 0.0095 0.0103 355 ARG 21 HG3 0.0003 -0.0009 0.0130 356 ARG 21 HG2 0.0037 -0.0041 0.0188 357 ARG 21 HD3 0.0057 -0.0158 0.0089 358 ARG 21 HD2 0.0031 -0.0128 0.0053 359 ARG 21 HE -0.0027 -0.0053 -0.0018 360 ARG 21 HH12 0.0011 -0.0237 -0.0153 361 ARG 21 HH11 0.0046 -0.0231 -0.0042 362 ARG 21 HH22 -0.0060 -0.0131 -0.0224 363 ARG 21 HH21 -0.0079 -0.0046 -0.0164 364 GLY 22 N -0.0073 0.0241 0.0010 365 GLY 22 CA -0.0168 -0.0005 -0.0029 366 GLY 22 C -0.0291 -0.0346 0.0115 367 GLY 22 O -0.0370 -0.0553 0.0107 368 GLY 22 H -0.0065 0.0288 -0.0198 369 GLY 22 HA3 -0.0129 0.0086 0.0082 370 GLY 22 HA2 -0.0187 -0.0021 -0.0308 371 ILE 23 N -0.0143 0.0098 -0.0021 372 ILE 23 CA -0.0169 0.0082 -0.0001 373 ILE 23 C -0.0208 0.0071 0.0001 374 ILE 23 O -0.0210 0.0063 0.0017 375 ILE 23 CB -0.0150 0.0068 0.0039 376 ILE 23 CG1 -0.0110 0.0079 0.0038 377 ILE 23 CG2 -0.0177 0.0051 0.0059 378 ILE 23 CD1 -0.0085 0.0067 0.0076 379 ILE 23 H -0.0129 0.0095 -0.0007 380 ILE 23 HA -0.0175 0.0087 -0.0015 381 ILE 23 HB -0.0146 0.0063 0.0053 382 ILE 23 HG13 -0.0094 0.0093 0.0018 383 ILE 23 HG12 -0.0114 0.0082 0.0029 384 ILE 23 HG21 -0.0164 0.0042 0.0087 385 ILE 23 HG22 -0.0205 0.0044 0.0061 386 ILE 23 HG23 -0.0183 0.0057 0.0045 387 ILE 23 HD11 -0.0057 0.0076 0.0074 388 ILE 23 HD12 -0.0080 0.0065 0.0084 389 ILE 23 HD13 -0.0101 0.0054 0.0096 390 SER 24 N -0.0265 -0.0098 -0.0023 391 SER 24 CA -0.0219 -0.0136 -0.0077 392 SER 24 C -0.0231 -0.0089 -0.0053 393 SER 24 O -0.0293 -0.0055 0.0015 394 SER 24 CB -0.0240 -0.0256 -0.0086 395 SER 24 OG -0.0316 -0.0282 -0.0018 396 SER 24 H -0.0310 -0.0149 0.0009 397 SER 24 HA -0.0158 -0.0116 -0.0132 398 SER 24 HB3 -0.0237 -0.0292 -0.0098 399 SER 24 HB2 -0.0200 -0.0284 -0.0132 400 SER 24 HG -0.0325 -0.0354 -0.0027 401 LEU 25 N -0.0147 -0.0073 -0.0023 402 LEU 25 CA -0.0153 -0.0055 -0.0009 403 LEU 25 C -0.0180 -0.0054 -0.0006 404 LEU 25 O -0.0191 -0.0039 0.0006 405 LEU 25 CB -0.0137 -0.0051 -0.0008 406 LEU 25 CG -0.0137 -0.0032 0.0007 407 LEU 25 CD1 -0.0131 -0.0015 0.0019 408 LEU 25 CD2 -0.0119 -0.0031 0.0006 409 LEU 25 H -0.0134 -0.0081 -0.0030 410 LEU 25 HA -0.0149 -0.0043 -0.0000 411 LEU 25 HB3 -0.0141 -0.0063 -0.0016 412 LEU 25 HB2 -0.0118 -0.0055 -0.0011 413 LEU 25 HG -0.0155 -0.0030 0.0010 414 LEU 25 HD11 -0.0131 -0.0001 0.0029 415 LEU 25 HD12 -0.0144 -0.0015 0.0020 416 LEU 25 HD13 -0.0113 -0.0017 0.0016 417 LEU 25 HD21 -0.0119 -0.0017 0.0017 418 LEU 25 HD22 -0.0100 -0.0034 0.0003 419 LEU 25 HD23 -0.0125 -0.0043 -0.0002 420 ALA 26 N -0.0217 -0.0118 -0.0006 421 ALA 26 CA -0.0204 -0.0115 -0.0009 422 ALA 26 C -0.0229 -0.0113 -0.0016 423 ALA 26 O -0.0224 -0.0104 -0.0030 424 ALA 26 CB -0.0187 -0.0128 0.0017 425 ALA 26 H -0.0215 -0.0128 0.0011 426 ALA 26 HA -0.0188 -0.0105 -0.0025 427 ALA 26 HB1 -0.0177 -0.0126 0.0014 428 ALA 26 HB2 -0.0168 -0.0129 0.0021 429 ALA 26 HB3 -0.0202 -0.0139 0.0033 430 ASN 27 N -0.0227 -0.0054 -0.0008 431 ASN 27 CA -0.0218 -0.0052 0.0001 432 ASN 27 C -0.0214 -0.0055 0.0014 433 ASN 27 O -0.0212 -0.0058 0.0024 434 ASN 27 CB -0.0208 -0.0042 -0.0005 435 ASN 27 CG -0.0210 -0.0040 -0.0012 436 ASN 27 OD1 -0.0211 -0.0043 -0.0006 437 ASN 27 ND2 -0.0211 -0.0035 -0.0024 438 ASN 27 H -0.0226 -0.0049 -0.0016 439 ASN 27 HA -0.0222 -0.0055 0.0004 440 ASN 27 HB3 -0.0200 -0.0040 0.0002 441 ASN 27 HB2 -0.0207 -0.0038 -0.0012 442 ASN 27 HD22 -0.0213 -0.0033 -0.0030 443 ASN 27 HD21 -0.0210 -0.0032 -0.0029 444 TRP 28 N -0.0150 0.0026 0.0027 445 TRP 28 CA -0.0143 0.0011 0.0051 446 TRP 28 C -0.0162 -0.0016 0.0066 447 TRP 28 O -0.0152 -0.0030 0.0091 448 TRP 28 CB -0.0145 0.0014 0.0044 449 TRP 28 CG -0.0123 0.0038 0.0035 450 TRP 28 CD1 -0.0128 0.0056 0.0009 451 TRP 28 CD2 -0.0093 0.0046 0.0050 452 TRP 28 NE1 -0.0103 0.0074 0.0008 453 TRP 28 CE2 -0.0081 0.0069 0.0033 454 TRP 28 CE3 -0.0076 0.0035 0.0077 455 TRP 28 CZ2 -0.0052 0.0081 0.0042 456 TRP 28 CZ3 -0.0047 0.0048 0.0086 457 TRP 28 CH2 -0.0036 0.0070 0.0069 458 TRP 28 H -0.0157 0.0036 0.0008 459 TRP 28 HA -0.0121 0.0015 0.0064 460 TRP 28 HB3 -0.0145 -0.0001 0.0062 461 TRP 28 HB2 -0.0167 0.0012 0.0029 462 TRP 28 HD1 -0.0149 0.0054 -0.0006 463 TRP 28 HE1 -0.0102 0.0089 -0.0009 464 TRP 28 HE3 -0.0085 0.0018 0.0090 465 TRP 28 HZ2 -0.0043 0.0098 0.0029 466 TRP 28 HZ3 -0.0033 0.0040 0.0106 467 TRP 28 HH2 -0.0013 0.0079 0.0077 468 MET 29 N -0.0138 -0.0049 -0.0021 469 MET 29 CA -0.0101 -0.0051 -0.0043 470 MET 29 C -0.0085 -0.0052 -0.0038 471 MET 29 O -0.0072 -0.0052 -0.0066 472 MET 29 CB -0.0072 -0.0054 -0.0031 473 MET 29 CG -0.0081 -0.0052 -0.0044 474 MET 29 SD -0.0078 -0.0049 -0.0096 475 MET 29 CE -0.0027 -0.0053 -0.0104 476 MET 29 H -0.0138 -0.0051 0.0001 477 MET 29 HA -0.0108 -0.0048 -0.0074 478 MET 29 HB3 -0.0043 -0.0055 -0.0043 479 MET 29 HB2 -0.0068 -0.0056 0.0000 480 MET 29 HG3 -0.0061 -0.0055 -0.0030 481 MET 29 HG2 -0.0110 -0.0051 -0.0034 482 MET 29 HE1 -0.0020 -0.0051 -0.0135 483 MET 29 HE2 -0.0010 -0.0055 -0.0087 484 MET 29 HE3 -0.0020 -0.0054 -0.0094 485 CYS 30 N -0.0087 -0.0025 -0.0002 486 CYS 30 CA -0.0071 -0.0028 0.0009 487 CYS 30 C -0.0056 -0.0032 0.0020 488 CYS 30 O -0.0048 -0.0046 0.0028 489 CYS 30 CB -0.0066 -0.0009 0.0007 490 CYS 30 SG -0.0049 -0.0011 0.0018 491 CYS 30 H -0.0091 -0.0012 -0.0008 492 CYS 30 HA -0.0075 -0.0041 0.0010 493 CYS 30 HB3 -0.0062 0.0004 0.0006 494 CYS 30 HB2 -0.0078 -0.0005 -0.0002 495 LEU 31 N -0.0062 -0.0012 0.0056 496 LEU 31 CA -0.0049 -0.0012 0.0070 497 LEU 31 C -0.0051 -0.0036 0.0071 498 LEU 31 O -0.0039 -0.0050 0.0086 499 LEU 31 CB -0.0050 0.0011 0.0065 500 LEU 31 CG -0.0037 0.0013 0.0078 501 LEU 31 CD1 -0.0018 0.0018 0.0097 502 LEU 31 CD2 -0.0042 0.0033 0.0069 503 LEU 31 H -0.0070 0.0002 0.0045 504 LEU 31 HA -0.0035 -0.0010 0.0083 505 LEU 31 HB3 -0.0064 0.0011 0.0050 506 LEU 31 HB2 -0.0048 0.0029 0.0064 507 LEU 31 HG -0.0039 -0.0005 0.0079 508 LEU 31 HD11 -0.0009 0.0020 0.0106 509 LEU 31 HD12 -0.0014 0.0003 0.0103 510 LEU 31 HD13 -0.0016 0.0036 0.0096 511 LEU 31 HD21 -0.0033 0.0034 0.0078 512 LEU 31 HD22 -0.0042 0.0051 0.0066 513 LEU 31 HD23 -0.0056 0.0027 0.0056 514 ALA 32 N -0.0020 -0.0033 0.0027 515 ALA 32 CA -0.0017 -0.0045 0.0002 516 ALA 32 C 0.0008 -0.0069 0.0003 517 ALA 32 O 0.0014 -0.0078 -0.0005 518 ALA 32 CB -0.0027 -0.0045 -0.0026 519 ALA 32 H -0.0027 -0.0027 0.0024 520 ALA 32 HA -0.0024 -0.0038 0.0001 521 ALA 32 HB1 -0.0025 -0.0054 -0.0045 522 ALA 32 HB2 -0.0045 -0.0028 -0.0028 523 ALA 32 HB3 -0.0020 -0.0052 -0.0026 524 LYS 33 N 0.0010 -0.0043 -0.0031 525 LYS 33 CA 0.0011 -0.0050 -0.0030 526 LYS 33 C 0.0033 -0.0054 -0.0025 527 LYS 33 O 0.0037 -0.0069 -0.0021 528 LYS 33 CB 0.0002 -0.0035 -0.0035 529 LYS 33 CG -0.0002 -0.0044 -0.0033 530 LYS 33 CD 0.0014 -0.0040 -0.0032 531 LYS 33 CE 0.0012 -0.0052 -0.0029 532 LYS 33 NZ -0.0009 -0.0058 -0.0031 533 LYS 33 H 0.0004 -0.0030 -0.0036 534 LYS 33 HA 0.0002 -0.0064 -0.0027 535 LYS 33 HB3 0.0013 -0.0022 -0.0036 536 LYS 33 HB2 -0.0012 -0.0030 -0.0038 537 LYS 33 HG3 -0.0016 -0.0040 -0.0036 538 LYS 33 HG2 -0.0004 -0.0060 -0.0029 539 LYS 33 HD3 0.0029 -0.0042 -0.0029 540 LYS 33 HD2 0.0014 -0.0024 -0.0036 541 LYS 33 HE3 0.0021 -0.0065 -0.0024 542 LYS 33 HE2 0.0018 -0.0043 -0.0030 543 LYS 33 HZ1 -0.0013 -0.0070 -0.0028 544 LYS 33 HZ2 -0.0018 -0.0047 -0.0035 545 LYS 33 HZ3 -0.0011 -0.0062 -0.0030 546 TRP 34 N 0.0032 0.0011 0.0118 547 TRP 34 CA 0.0045 0.0011 0.0103 548 TRP 34 C 0.0058 -0.0008 0.0103 549 TRP 34 O 0.0066 -0.0010 0.0095 550 TRP 34 CB 0.0051 0.0024 0.0085 551 TRP 34 CG 0.0037 0.0045 0.0084 552 TRP 34 CD1 0.0028 0.0056 0.0086 553 TRP 34 CD2 0.0030 0.0058 0.0082 554 TRP 34 NE1 0.0016 0.0074 0.0085 555 TRP 34 CE2 0.0017 0.0076 0.0082 556 TRP 34 CE3 0.0034 0.0056 0.0079 557 TRP 34 CZ2 0.0008 0.0092 0.0080 558 TRP 34 CZ3 0.0024 0.0072 0.0077 559 TRP 34 CH2 0.0012 0.0089 0.0078 560 TRP 34 H 0.0031 0.0013 0.0117 561 TRP 34 HA 0.0039 0.0019 0.0104 562 TRP 34 HB3 0.0061 0.0024 0.0074 563 TRP 34 HB2 0.0055 0.0019 0.0084 564 TRP 34 HD1 0.0031 0.0049 0.0088 565 TRP 34 HE1 0.0009 0.0083 0.0086 566 TRP 34 HE3 0.0044 0.0042 0.0078 567 TRP 34 HZ2 -0.0002 0.0105 0.0080 568 TRP 34 HZ3 0.0027 0.0071 0.0075 569 TRP 34 HH2 0.0005 0.0101 0.0076 570 GLU 35 N 0.0044 -0.0082 0.0111 571 GLU 35 CA 0.0039 -0.0073 0.0110 572 GLU 35 C 0.0043 -0.0090 0.0093 573 GLU 35 O 0.0047 -0.0093 0.0100 574 GLU 35 CB 0.0021 -0.0049 0.0101 575 GLU 35 CG 0.0016 -0.0030 0.0120 576 GLU 35 CD 0.0020 -0.0023 0.0144 577 GLU 35 OE1 0.0026 -0.0032 0.0145 578 GLU 35 OE2 0.0018 -0.0008 0.0162 579 GLU 35 H 0.0036 -0.0075 0.0101 580 GLU 35 HA 0.0044 -0.0070 0.0129 581 GLU 35 HB3 0.0016 -0.0045 0.0095 582 GLU 35 HB2 0.0015 -0.0051 0.0083 583 GLU 35 HG3 0.0003 -0.0014 0.0112 584 GLU 35 HG2 0.0020 -0.0034 0.0126 585 SER 36 N 0.0084 -0.0047 0.0064 586 SER 36 CA 0.0094 -0.0043 0.0028 587 SER 36 C 0.0126 -0.0072 0.0006 588 SER 36 O 0.0136 -0.0070 -0.0025 589 SER 36 CB 0.0078 -0.0011 -0.0004 590 SER 36 OG 0.0089 -0.0017 -0.0021 591 SER 36 H 0.0094 -0.0057 0.0063 592 SER 36 HA 0.0087 -0.0039 0.0037 593 SER 36 HB3 0.0054 0.0010 0.0011 594 SER 36 HB2 0.0082 -0.0005 -0.0030 595 SER 36 HG 0.0075 -0.0007 -0.0007 596 GLY 37 N 0.0079 -0.0092 -0.0001 597 GLY 37 CA 0.0105 -0.0125 -0.0030 598 GLY 37 C 0.0124 -0.0104 -0.0077 599 GLY 37 O 0.0142 -0.0116 -0.0104 600 GLY 37 H 0.0071 -0.0100 0.0017 601 GLY 37 HA3 0.0103 -0.0136 -0.0021 602 GLY 37 HA2 0.0111 -0.0158 -0.0025 603 TYR 38 N 0.0091 -0.0034 -0.0102 604 TYR 38 CA 0.0093 -0.0031 -0.0107 605 TYR 38 C 0.0094 -0.0029 -0.0102 606 TYR 38 O 0.0094 -0.0030 -0.0106 607 TYR 38 CB 0.0089 -0.0036 -0.0115 608 TYR 38 CG 0.0087 -0.0039 -0.0121 609 TYR 38 CD1 0.0090 -0.0034 -0.0124 610 TYR 38 CD2 0.0082 -0.0046 -0.0124 611 TYR 38 CE1 0.0089 -0.0037 -0.0129 612 TYR 38 CE2 0.0080 -0.0049 -0.0129 613 TYR 38 CZ 0.0084 -0.0044 -0.0132 614 TYR 38 OH 0.0082 -0.0046 -0.0137 615 TYR 38 H 0.0093 -0.0030 -0.0101 616 TYR 38 HA 0.0096 -0.0026 -0.0110 617 TYR 38 HB3 0.0091 -0.0033 -0.0120 618 TYR 38 HB2 0.0086 -0.0041 -0.0113 619 TYR 38 HD1 0.0094 -0.0028 -0.0122 620 TYR 38 HD2 0.0079 -0.0050 -0.0122 621 TYR 38 HE1 0.0091 -0.0033 -0.0131 622 TYR 38 HE2 0.0076 -0.0054 -0.0132 623 TYR 38 HH 0.0085 -0.0043 -0.0137 624 ASN 39 N 0.0153 0.0054 -0.0053 625 ASN 39 CA 0.0144 0.0064 -0.0099 626 ASN 39 C 0.0096 0.0054 -0.0111 627 ASN 39 O 0.0070 0.0046 -0.0109 628 ASN 39 CB 0.0161 0.0075 -0.0125 629 ASN 39 CG 0.0154 0.0087 -0.0175 630 ASN 39 OD1 0.0143 0.0088 -0.0192 631 ASN 39 ND2 0.0161 0.0095 -0.0198 632 ASN 39 H 0.0141 0.0048 -0.0043 633 ASN 39 HA 0.0163 0.0071 -0.0106 634 ASN 39 HB3 0.0144 0.0068 -0.0116 635 ASN 39 HB2 0.0195 0.0083 -0.0116 636 ASN 39 HD22 0.0158 0.0103 -0.0231 637 ASN 39 HD21 0.0170 0.0093 -0.0183 638 THR 40 N -0.0003 0.0094 -0.0006 639 THR 40 CA -0.0014 0.0076 -0.0010 640 THR 40 C 0.0001 0.0056 -0.0027 641 THR 40 O -0.0003 0.0043 -0.0031 642 THR 40 CB -0.0040 0.0064 -0.0001 643 THR 40 OG1 -0.0042 0.0049 -0.0008 644 THR 40 CG2 -0.0057 0.0082 0.0016 645 THR 40 H -0.0013 0.0094 -0.0001 646 THR 40 HA -0.0013 0.0086 -0.0005 647 THR 40 HB -0.0047 0.0051 -0.0004 648 THR 40 HG1 -0.0054 0.0034 -0.0009 649 THR 40 HG21 -0.0075 0.0072 0.0021 650 THR 40 HG22 -0.0056 0.0093 0.0022 651 THR 40 HG23 -0.0050 0.0094 0.0019 652 ARG 41 N 0.0194 0.0150 -0.0181 653 ARG 41 CA 0.0233 0.0123 -0.0109 654 ARG 41 C 0.0260 0.0135 -0.0140 655 ARG 41 O 0.0296 0.0116 -0.0087 656 ARG 41 CB 0.0150 0.0097 -0.0038 657 ARG 41 CG 0.0183 0.0061 0.0057 658 ARG 41 CD 0.0100 0.0038 0.0120 659 ARG 41 NE 0.0120 0.0019 0.0170 660 ARG 41 CZ 0.0184 -0.0005 0.0235 661 ARG 41 NH1 0.0203 -0.0025 0.0290 662 ARG 41 NH2 0.0229 -0.0010 0.0248 663 ARG 41 H 0.0123 0.0153 -0.0190 664 ARG 41 HA 0.0294 0.0112 -0.0078 665 ARG 41 HB3 0.0108 0.0103 -0.0055 666 ARG 41 HB2 0.0100 0.0099 -0.0045 667 ARG 41 HG3 0.0214 0.0054 0.0077 668 ARG 41 HG2 0.0238 0.0060 0.0062 669 ARG 41 HD3 0.0035 0.0052 0.0081 670 ARG 41 HD2 0.0088 0.0020 0.0166 671 ARG 41 HE 0.0081 0.0026 0.0151 672 ARG 41 HH12 0.0252 -0.0043 0.0339 673 ARG 41 HH11 0.0169 -0.0022 0.0282 674 ARG 41 HH22 0.0277 -0.0028 0.0298 675 ARG 41 HH21 0.0214 0.0005 0.0208 676 ALA 42 N 0.0151 0.0132 -0.0074 677 ALA 42 CA 0.0149 0.0128 -0.0053 678 ALA 42 C 0.0114 0.0135 -0.0052 679 ALA 42 O 0.0088 0.0139 -0.0046 680 ALA 42 CB 0.0161 0.0117 -0.0017 681 ALA 42 H 0.0158 0.0128 -0.0061 682 ALA 42 HA 0.0167 0.0127 -0.0066 683 ALA 42 HB1 0.0160 0.0114 -0.0002 684 ALA 42 HB2 0.0188 0.0112 -0.0018 685 ALA 42 HB3 0.0145 0.0118 -0.0004 686 THR 43 N 0.0222 0.0205 0.0014 687 THR 43 CA 0.0169 0.0169 -0.0018 688 THR 43 C 0.0200 0.0189 -0.0041 689 THR 43 O 0.0257 0.0225 -0.0068 690 THR 43 CB 0.0139 0.0148 -0.0094 691 THR 43 OG1 0.0192 0.0181 -0.0150 692 THR 43 CG2 0.0106 0.0127 -0.0077 693 THR 43 H 0.0268 0.0234 -0.0013 694 THR 43 HA 0.0130 0.0145 0.0027 695 THR 43 HB 0.0101 0.0123 -0.0116 696 THR 43 HG1 0.0211 0.0193 -0.0161 697 THR 43 HG21 0.0085 0.0112 -0.0132 698 THR 43 HG22 0.0067 0.0103 -0.0033 699 THR 43 HG23 0.0144 0.0152 -0.0055 700 ASN 44 N -0.0105 0.0217 0.0238 701 ASN 44 CA -0.0176 0.0222 0.0159 702 ASN 44 C -0.0165 0.0175 0.0122 703 ASN 44 O -0.0115 0.0104 0.0108 704 ASN 44 CB -0.0189 0.0183 0.0102 705 ASN 44 CG -0.0254 0.0177 0.0018 706 ASN 44 OD1 -0.0315 0.0237 0.0008 707 ASN 44 ND2 -0.0243 0.0105 -0.0044 708 ASN 44 H -0.0056 0.0166 0.0244 709 ASN 44 HA -0.0222 0.0284 0.0168 710 ASN 44 HB3 -0.0140 0.0124 0.0100 711 ASN 44 HB2 -0.0196 0.0217 0.0129 712 ASN 44 HD22 -0.0285 0.0098 -0.0102 713 ASN 44 HD21 -0.0192 0.0057 -0.0032 714 TYR 45 N -0.0029 0.0215 0.0108 715 TYR 45 CA -0.0010 0.0143 0.0042 716 TYR 45 C 0.0041 0.0195 -0.0005 717 TYR 45 O 0.0087 0.0270 -0.0031 718 TYR 45 CB 0.0015 0.0088 -0.0024 719 TYR 45 CG 0.0036 0.0012 -0.0096 720 TYR 45 CD1 -0.0006 -0.0070 -0.0078 721 TYR 45 CD2 0.0101 0.0023 -0.0183 722 TYR 45 CE1 0.0015 -0.0138 -0.0145 723 TYR 45 CE2 0.0120 -0.0047 -0.0249 724 TYR 45 CZ 0.0078 -0.0126 -0.0230 725 TYR 45 OH 0.0098 -0.0196 -0.0297 726 TYR 45 H -0.0006 0.0246 0.0091 727 TYR 45 HA -0.0052 0.0089 0.0074 728 TYR 45 HB3 0.0055 0.0142 -0.0053 729 TYR 45 HB2 -0.0021 0.0052 0.0010 730 TYR 45 HD1 -0.0056 -0.0081 -0.0012 731 TYR 45 HD2 0.0135 0.0086 -0.0199 732 TYR 45 HE1 -0.0019 -0.0200 -0.0130 733 TYR 45 HE2 0.0170 -0.0038 -0.0316 734 TYR 45 HH 0.0068 -0.0233 -0.0272 735 ASN 46 N -0.0028 -0.0032 -0.0001 736 ASN 46 CA -0.0012 -0.0019 -0.0016 737 ASN 46 C -0.0004 -0.0046 -0.0060 738 ASN 46 O -0.0021 -0.0082 -0.0066 739 ASN 46 CB -0.0031 -0.0024 0.0015 740 ASN 46 CG -0.0041 0.0002 0.0059 741 ASN 46 OD1 -0.0023 0.0040 0.0067 742 ASN 46 ND2 -0.0069 -0.0019 0.0089 743 ASN 46 H -0.0049 -0.0058 0.0010 744 ASN 46 HA 0.0008 0.0014 -0.0017 745 ASN 46 HB3 -0.0020 -0.0015 0.0003 746 ASN 46 HB2 -0.0051 -0.0057 0.0015 747 ASN 46 HD22 -0.0076 -0.0003 0.0119 748 ASN 46 HD21 -0.0083 -0.0050 0.0082 749 ALA 47 N -0.0055 0.0139 -0.0374 750 ALA 47 CA 0.0213 -0.0004 -0.0280 751 ALA 47 C 0.0709 -0.0179 -0.0895 752 ALA 47 O 0.1187 -0.0427 -0.0787 753 ALA 47 CB -0.0374 0.0283 -0.0263 754 ALA 47 H -0.0554 0.0389 -0.0410 755 ALA 47 HA 0.0455 -0.0183 0.0243 756 ALA 47 HB1 -0.0188 0.0183 -0.0193 757 ALA 47 HB2 -0.0723 0.0404 0.0196 758 ALA 47 HB3 -0.0627 0.0467 -0.0779 759 GLY 48 N -0.0299 -0.0914 0.0216 760 GLY 48 CA 0.0059 -0.0311 0.0506 761 GLY 48 C -0.0677 -0.0315 0.0505 762 GLY 48 O -0.0309 -0.0350 0.0488 763 GLY 48 H -0.0468 -0.0597 0.0369 764 GLY 48 HA3 0.0173 0.0434 0.0865 765 GLY 48 HA2 0.0861 -0.0542 0.0394 766 ASP 49 N -0.0130 -0.0095 0.0034 767 ASP 49 CA -0.0174 -0.0074 0.0032 768 ASP 49 C -0.0173 -0.0040 -0.0025 769 ASP 49 O -0.0207 -0.0021 -0.0032 770 ASP 49 CB -0.0171 -0.0101 0.0072 771 ASP 49 CG -0.0123 -0.0112 0.0057 772 ASP 49 OD1 -0.0085 -0.0102 0.0015 773 ASP 49 OD2 -0.0124 -0.0128 0.0084 774 ASP 49 H -0.0087 -0.0106 0.0023 775 ASP 49 HA -0.0217 -0.0064 0.0045 776 ASP 49 HB3 -0.0168 -0.0126 0.0112 777 ASP 49 HB2 -0.0213 -0.0089 0.0082 778 ARG 50 N -0.0103 -0.0094 -0.0068 779 ARG 50 CA -0.0116 -0.0118 -0.0068 780 ARG 50 C -0.0149 -0.0109 -0.0096 781 ARG 50 O -0.0159 -0.0120 -0.0099 782 ARG 50 CB -0.0088 -0.0116 -0.0048 783 ARG 50 CG -0.0061 -0.0140 -0.0019 784 ARG 50 CD -0.0031 -0.0135 0.0001 785 ARG 50 NE 0.0001 -0.0115 0.0017 786 ARG 50 CZ 0.0033 -0.0113 0.0039 787 ARG 50 NH1 0.0040 -0.0144 0.0057 788 ARG 50 NH2 0.0057 -0.0080 0.0044 789 ARG 50 H -0.0105 -0.0109 -0.0063 790 ARG 50 HA -0.0123 -0.0149 -0.0061 791 ARG 50 HB3 -0.0100 -0.0127 -0.0052 792 ARG 50 HB2 -0.0074 -0.0084 -0.0051 793 ARG 50 HG3 -0.0051 -0.0130 -0.0015 794 ARG 50 HG2 -0.0074 -0.0172 -0.0015 795 ARG 50 HD3 -0.0029 -0.0165 0.0015 796 ARG 50 HD2 -0.0037 -0.0117 -0.0010 797 ARG 50 HE -0.0002 -0.0103 0.0010 798 ARG 50 HH12 0.0064 -0.0142 0.0074 799 ARG 50 HH11 0.0021 -0.0169 0.0054 800 ARG 50 HH22 0.0081 -0.0077 0.0061 801 ARG 50 HH21 0.0051 -0.0058 0.0031 802 SER 51 N -0.0042 -0.0059 0.0004 803 SER 51 CA -0.0033 -0.0061 0.0013 804 SER 51 C -0.0027 -0.0051 0.0017 805 SER 51 O -0.0030 -0.0045 0.0013 806 SER 51 CB -0.0032 -0.0073 0.0015 807 SER 51 OG -0.0032 -0.0072 0.0015 808 SER 51 H -0.0045 -0.0060 0.0001 809 SER 51 HA -0.0031 -0.0062 0.0014 810 SER 51 HB3 -0.0037 -0.0080 0.0012 811 SER 51 HB2 -0.0025 -0.0076 0.0021 812 SER 51 HG -0.0038 -0.0072 0.0009 813 THR 52 N -0.0032 -0.0012 0.0047 814 THR 52 CA -0.0018 0.0015 0.0062 815 THR 52 C -0.0019 0.0017 0.0101 816 THR 52 O -0.0033 -0.0007 0.0118 817 THR 52 CB -0.0019 0.0013 0.0057 818 THR 52 OG1 -0.0018 0.0011 0.0020 819 THR 52 CG2 -0.0006 0.0039 0.0072 820 THR 52 H -0.0043 -0.0033 0.0058 821 THR 52 HA -0.0007 0.0036 0.0050 822 THR 52 HB -0.0031 -0.0009 0.0069 823 THR 52 HG1 -0.0023 0.0001 0.0008 824 THR 52 HG21 -0.0008 0.0035 0.0067 825 THR 52 HG22 -0.0006 0.0041 0.0100 826 THR 52 HG23 0.0006 0.0060 0.0060 827 ASP 53 N -0.0049 0.0040 0.0115 828 ASP 53 CA -0.0033 0.0031 0.0130 829 ASP 53 C -0.0013 0.0043 0.0126 830 ASP 53 O -0.0005 0.0057 0.0116 831 ASP 53 CB -0.0025 0.0023 0.0141 832 ASP 53 CG -0.0043 0.0011 0.0145 833 ASP 53 OD1 -0.0057 0.0000 0.0150 834 ASP 53 OD2 -0.0043 0.0013 0.0143 835 ASP 53 H -0.0046 0.0047 0.0109 836 ASP 53 HA -0.0040 0.0020 0.0137 837 ASP 53 HB3 -0.0013 0.0016 0.0153 838 ASP 53 HB2 -0.0016 0.0033 0.0135 839 TYR 54 N -0.0024 0.0028 0.0071 840 TYR 54 CA -0.0034 0.0013 0.0045 841 TYR 54 C -0.0042 0.0019 0.0050 842 TYR 54 O -0.0060 0.0038 0.0066 843 TYR 54 CB -0.0066 0.0013 0.0028 844 TYR 54 CG -0.0062 0.0002 0.0016 845 TYR 54 CD1 -0.0064 0.0014 0.0031 846 TYR 54 CD2 -0.0057 -0.0020 -0.0012 847 TYR 54 CE1 -0.0060 0.0004 0.0019 848 TYR 54 CE2 -0.0053 -0.0030 -0.0023 849 TYR 54 CZ -0.0056 -0.0018 -0.0008 850 TYR 54 OH -0.0052 -0.0028 -0.0021 851 TYR 54 H -0.0038 0.0044 0.0085 852 TYR 54 HA -0.0015 -0.0004 0.0033 853 TYR 54 HB3 -0.0077 0.0004 0.0010 854 TYR 54 HB2 -0.0084 0.0030 0.0041 855 TYR 54 HD1 -0.0068 0.0031 0.0052 856 TYR 54 HD2 -0.0057 -0.0030 -0.0025 857 TYR 54 HE1 -0.0062 0.0013 0.0031 858 TYR 54 HE2 -0.0047 -0.0048 -0.0044 859 TYR 54 HH -0.0058 -0.0018 -0.0009 860 GLY 55 N -0.0018 0.0078 -0.0013 861 GLY 55 CA -0.0014 0.0074 -0.0020 862 GLY 55 C 0.0000 0.0069 0.0001 863 GLY 55 O 0.0013 0.0065 0.0020 864 GLY 55 H -0.0007 0.0070 -0.0021 865 GLY 55 HA3 -0.0031 0.0083 -0.0025 866 GLY 55 HA2 -0.0005 0.0066 -0.0039 867 ILE 56 N -0.0027 0.0005 -0.0058 868 ILE 56 CA -0.0013 -0.0002 -0.0045 869 ILE 56 C -0.0016 0.0002 -0.0018 870 ILE 56 O -0.0001 -0.0006 -0.0003 871 ILE 56 CB -0.0013 -0.0003 -0.0057 872 ILE 56 CG1 0.0006 -0.0013 -0.0049 873 ILE 56 CG2 -0.0034 0.0009 -0.0053 874 ILE 56 CD1 0.0009 -0.0017 -0.0066 875 ILE 56 H -0.0037 0.0010 -0.0071 876 ILE 56 HA 0.0003 -0.0012 -0.0047 877 ILE 56 HB -0.0012 -0.0005 -0.0076 878 ILE 56 HG13 0.0020 -0.0022 -0.0048 879 ILE 56 HG12 0.0004 -0.0011 -0.0030 880 ILE 56 HG21 -0.0034 0.0008 -0.0062 881 ILE 56 HG22 -0.0047 0.0016 -0.0062 882 ILE 56 HG23 -0.0037 0.0012 -0.0034 883 ILE 56 HD11 0.0023 -0.0024 -0.0059 884 ILE 56 HD12 0.0012 -0.0020 -0.0084 885 ILE 56 HD13 -0.0004 -0.0009 -0.0066 886 PHE 57 N -0.0024 -0.0035 -0.0012 887 PHE 57 CA -0.0024 -0.0023 0.0009 888 PHE 57 C -0.0021 -0.0018 0.0032 889 PHE 57 O -0.0021 -0.0007 0.0052 890 PHE 57 CB -0.0037 0.0000 0.0003 891 PHE 57 CG -0.0042 -0.0002 -0.0017 892 PHE 57 CD1 -0.0035 -0.0014 -0.0015 893 PHE 57 CD2 -0.0053 0.0010 -0.0038 894 PHE 57 CE1 -0.0039 -0.0015 -0.0033 895 PHE 57 CE2 -0.0057 0.0009 -0.0056 896 PHE 57 CZ -0.0051 -0.0004 -0.0054 897 PHE 57 H -0.0031 -0.0025 -0.0022 898 PHE 57 HA -0.0018 -0.0034 0.0014 899 PHE 57 HB3 -0.0037 0.0010 0.0020 900 PHE 57 HB2 -0.0044 0.0011 -0.0002 901 PHE 57 HD1 -0.0027 -0.0022 0.0002 902 PHE 57 HD2 -0.0058 0.0020 -0.0040 903 PHE 57 HE1 -0.0034 -0.0026 -0.0031 904 PHE 57 HE2 -0.0066 0.0018 -0.0072 905 PHE 57 HZ -0.0054 -0.0005 -0.0068 906 GLN 58 N 0.0038 0.0016 0.0101 907 GLN 58 CA 0.0009 0.0024 0.0110 908 GLN 58 C -0.0024 0.0030 0.0123 909 GLN 58 O -0.0044 0.0020 0.0147 910 GLN 58 CB 0.0016 0.0003 0.0129 911 GLN 58 CG 0.0045 0.0002 0.0113 912 GLN 58 CD 0.0035 0.0026 0.0092 913 GLN 58 OE1 0.0019 0.0027 0.0100 914 GLN 58 NE2 0.0044 0.0045 0.0064 915 GLN 58 H 0.0053 0.0026 0.0080 916 GLN 58 HA 0.0008 0.0042 0.0090 917 GLN 58 HB3 -0.0007 0.0007 0.0138 918 GLN 58 HB2 0.0022 -0.0016 0.0147 919 GLN 58 HG3 0.0053 -0.0016 0.0128 920 GLN 58 HG2 0.0068 0.0000 0.0101 921 GLN 58 HE22 0.0037 0.0061 0.0050 922 GLN 58 HE21 0.0056 0.0043 0.0058 923 ILE 59 N -0.0040 -0.0080 0.0048 924 ILE 59 CA -0.0031 -0.0055 0.0051 925 ILE 59 C -0.0029 -0.0044 0.0078 926 ILE 59 O -0.0030 -0.0047 0.0086 927 ILE 59 CB -0.0025 -0.0040 0.0028 928 ILE 59 CG1 -0.0027 -0.0048 0.0002 929 ILE 59 CG2 -0.0015 -0.0012 0.0033 930 ILE 59 CD1 -0.0023 -0.0040 -0.0023 931 ILE 59 H -0.0041 -0.0083 0.0038 932 ILE 59 HA -0.0031 -0.0055 0.0050 933 ILE 59 HB -0.0026 -0.0043 0.0026 934 ILE 59 HG13 -0.0034 -0.0068 0.0002 935 ILE 59 HG12 -0.0025 -0.0041 0.0003 936 ILE 59 HG21 -0.0011 -0.0002 0.0017 937 ILE 59 HG22 -0.0014 -0.0006 0.0051 938 ILE 59 HG23 -0.0014 -0.0008 0.0035 939 ILE 59 HD11 -0.0025 -0.0046 -0.0039 940 ILE 59 HD12 -0.0026 -0.0047 -0.0024 941 ILE 59 HD13 -0.0016 -0.0020 -0.0023 942 ASN 60 N -0.0037 0.0004 0.0121 943 ASN 60 CA -0.0037 0.0005 0.0122 944 ASN 60 C -0.0025 0.0001 0.0129 945 ASN 60 O -0.0014 -0.0004 0.0127 946 ASN 60 CB -0.0040 0.0001 0.0107 947 ASN 60 CG -0.0043 0.0002 0.0106 948 ASN 60 OD1 -0.0035 -0.0002 0.0103 949 ASN 60 ND2 -0.0054 0.0009 0.0109 950 ASN 60 H -0.0034 0.0000 0.0113 951 ASN 60 HA -0.0045 0.0010 0.0127 952 ASN 60 HB3 -0.0033 -0.0004 0.0101 953 ASN 60 HB2 -0.0049 0.0004 0.0102 954 ASN 60 HD22 -0.0057 0.0010 0.0108 955 ASN 60 HD21 -0.0061 0.0013 0.0111 956 SER 61 N -0.0002 0.0005 0.0093 957 SER 61 CA -0.0004 0.0002 0.0092 958 SER 61 C -0.0004 0.0001 0.0091 959 SER 61 O -0.0005 -0.0002 0.0090 960 SER 61 CB -0.0003 0.0002 0.0090 961 SER 61 OG -0.0001 0.0003 0.0088 962 SER 61 H -0.0001 0.0006 0.0092 963 SER 61 HA -0.0005 0.0002 0.0094 964 SER 61 HB3 -0.0003 0.0003 0.0091 965 SER 61 HB2 -0.0004 -0.0000 0.0089 966 SER 61 HG -0.0001 0.0001 0.0086 967 ARG 62 N 0.0066 0.0016 0.0086 968 ARG 62 CA 0.0100 -0.0003 0.0060 969 ARG 62 C 0.0129 -0.0019 0.0049 970 ARG 62 O 0.0165 -0.0039 0.0049 971 ARG 62 CB 0.0088 0.0006 0.0016 972 ARG 62 CG 0.0124 -0.0014 -0.0014 973 ARG 62 CD 0.0113 -0.0007 -0.0043 974 ARG 62 NE 0.0119 -0.0011 -0.0019 975 ARG 62 CZ 0.0088 0.0007 -0.0009 976 ARG 62 NH1 0.0053 0.0027 -0.0023 977 ARG 62 NH2 0.0092 0.0004 0.0006 978 ARG 62 H 0.0040 0.0032 0.0072 979 ARG 62 HA 0.0116 -0.0012 0.0080 980 ARG 62 HB3 0.0069 0.0017 -0.0004 981 ARG 62 HB2 0.0070 0.0016 0.0024 982 ARG 62 HG3 0.0148 -0.0029 0.0009 983 ARG 62 HG2 0.0133 -0.0019 -0.0035 984 ARG 62 HD3 0.0130 -0.0016 -0.0074 985 ARG 62 HD2 0.0082 0.0011 -0.0052 986 ARG 62 HE 0.0146 -0.0027 -0.0009 987 ARG 62 HH12 0.0028 0.0041 -0.0016 988 ARG 62 HH11 0.0050 0.0029 -0.0039 989 ARG 62 HH22 0.0068 0.0017 0.0013 990 ARG 62 HH21 0.0119 -0.0012 0.0010 991 TYR 63 N 0.0106 -0.0018 0.0156 992 TYR 63 CA 0.0108 -0.0024 0.0159 993 TYR 63 C 0.0056 -0.0045 0.0240 994 TYR 63 O 0.0070 -0.0079 0.0252 995 TYR 63 CB 0.0088 0.0066 0.0103 996 TYR 63 CG 0.0139 0.0092 0.0019 997 TYR 63 CD1 0.0211 0.0052 -0.0031 998 TYR 63 CD2 0.0117 0.0153 -0.0009 999 TYR 63 CE1 0.0260 0.0073 -0.0108 1000 TYR 63 CE2 0.0166 0.0175 -0.0087 1001 TYR 63 CZ 0.0236 0.0135 -0.0135 1002 TYR 63 OH 0.0286 0.0155 -0.0212 1003 TYR 63 H 0.0064 0.0032 0.0162 1004 TYR 63 HA 0.0163 -0.0070 0.0134 1005 TYR 63 HB3 0.0092 0.0065 0.0099 1006 TYR 63 HB2 0.0033 0.0112 0.0128 1007 TYR 63 HD1 0.0229 0.0003 -0.0010 1008 TYR 63 HD2 0.0062 0.0184 0.0029 1009 TYR 63 HE1 0.0315 0.0042 -0.0146 1010 TYR 63 HE2 0.0149 0.0222 -0.0108 1011 TYR 63 HH 0.0260 0.0214 -0.0233 1012 ARG 64 N 0.0073 -0.0034 0.0103 1013 ARG 64 CA 0.0043 -0.0033 0.0093 1014 ARG 64 C 0.0031 -0.0060 0.0101 1015 ARG 64 O 0.0018 -0.0056 0.0095 1016 ARG 64 CB 0.0021 -0.0028 0.0084 1017 ARG 64 CG 0.0028 -0.0001 0.0074 1018 ARG 64 CD 0.0037 -0.0005 0.0079 1019 ARG 64 NE 0.0043 0.0023 0.0068 1020 ARG 64 CZ 0.0022 0.0036 0.0055 1021 ARG 64 NH1 -0.0008 0.0023 0.0052 1022 ARG 64 NH2 0.0030 0.0062 0.0047 1023 ARG 64 H 0.0077 -0.0049 0.0111 1024 ARG 64 HA 0.0044 -0.0014 0.0085 1025 ARG 64 HB2 0.0019 -0.0046 0.0091 1026 ARG 64 HB3 -0.0002 -0.0026 0.0076 1027 ARG 64 HG2 0.0008 0.0011 0.0062 1028 ARG 64 HG3 0.0047 0.0014 0.0073 1029 ARG 64 HD2 0.0058 -0.0016 0.0090 1030 ARG 64 HD3 0.0018 -0.0018 0.0079 1031 ARG 64 HE 0.0065 0.0032 0.0071 1032 ARG 64 HH12 -0.0024 0.0033 0.0042 1033 ARG 64 HH11 -0.0014 0.0004 0.0059 1034 ARG 64 HH22 0.0014 0.0073 0.0037 1035 ARG 64 HH21 0.0052 0.0072 0.0049 1036 CYS 65 N 0.0005 -0.0027 0.0028 1037 CYS 65 CA 0.0011 -0.0015 0.0027 1038 CYS 65 C 0.0008 -0.0001 0.0060 1039 CYS 65 O -0.0001 -0.0007 0.0083 1040 CYS 65 CB 0.0003 -0.0039 0.0015 1041 CYS 65 SG -0.0017 -0.0070 0.0041 1042 CYS 65 H -0.0006 -0.0043 0.0043 1043 CYS 65 HA 0.0023 0.0002 0.0010 1044 CYS 65 HB3 0.0006 -0.0049 -0.0009 1045 CYS 65 HB2 0.0009 -0.0029 0.0012 1046 ASN 66 N 0.0069 -0.0009 0.0039 1047 ASN 66 CA -0.0035 0.0110 0.0050 1048 ASN 66 C 0.0019 0.0139 -0.0021 1049 ASN 66 O 0.0121 0.0174 -0.0142 1050 ASN 66 CB -0.0094 0.0259 -0.0002 1051 ASN 66 CG -0.0209 0.0385 0.0013 1052 ASN 66 OD1 -0.0303 0.0361 0.0118 1053 ASN 66 ND2 -0.0203 0.0520 -0.0090 1054 ASN 66 H 0.0140 0.0018 -0.0047 1055 ASN 66 HA -0.0119 0.0074 0.0155 1056 ASN 66 HB3 -0.0012 0.0297 -0.0107 1057 ASN 66 HB2 -0.0134 0.0238 0.0050 1058 ASN 66 HD22 -0.0275 0.0610 -0.0088 1059 ASN 66 HD21 -0.0126 0.0533 -0.0171 1060 ASP 67 N -0.0053 0.0089 0.0024 1061 ASP 67 CA -0.0051 0.0068 0.0026 1062 ASP 67 C -0.0044 0.0070 0.0037 1063 ASP 67 O -0.0041 0.0054 0.0039 1064 ASP 67 CB -0.0046 0.0051 0.0031 1065 ASP 67 CG -0.0034 0.0053 0.0051 1066 ASP 67 OD1 -0.0029 0.0068 0.0061 1067 ASP 67 OD2 -0.0030 0.0039 0.0055 1068 ASP 67 H -0.0046 0.0096 0.0036 1069 ASP 67 HA -0.0059 0.0064 0.0012 1070 ASP 67 HB3 -0.0052 0.0049 0.0022 1071 ASP 67 HB2 -0.0046 0.0036 0.0030 1072 GLY 68 N -0.0012 0.0223 0.0037 1073 GLY 68 CA 0.0172 0.0110 0.0131 1074 GLY 68 C 0.0078 0.0168 -0.0073 1075 GLY 68 O 0.0281 0.0045 -0.0094 1076 GLY 68 H 0.0090 0.0162 -0.0153 1077 GLY 68 HA3 0.0162 0.0113 0.0442 1078 GLY 68 HA2 0.0433 -0.0050 0.0083 1079 LYS 69 N -0.0041 0.0139 -0.0191 1080 LYS 69 CA -0.0011 0.0117 -0.0142 1081 LYS 69 C 0.0005 0.0130 -0.0093 1082 LYS 69 O 0.0031 0.0109 -0.0052 1083 LYS 69 CB 0.0008 0.0055 -0.0156 1084 LYS 69 CG 0.0013 0.0020 -0.0177 1085 LYS 69 CD 0.0036 -0.0042 -0.0182 1086 LYS 69 CE 0.0050 -0.0075 -0.0182 1087 LYS 69 NZ 0.0042 -0.0114 -0.0236 1088 LYS 69 H -0.0043 0.0122 -0.0211 1089 LYS 69 HA -0.0014 0.0137 -0.0130 1090 LYS 69 HB3 -0.0003 0.0048 -0.0187 1091 LYS 69 HB2 0.0030 0.0039 -0.0120 1092 LYS 69 HG3 0.0021 0.0031 -0.0149 1093 LYS 69 HG2 -0.0009 0.0030 -0.0218 1094 LYS 69 HD3 0.0025 -0.0056 -0.0220 1095 LYS 69 HD2 0.0054 -0.0049 -0.0148 1096 LYS 69 HE3 0.0075 -0.0099 -0.0148 1097 LYS 69 HE2 0.0041 -0.0047 -0.0176 1098 LYS 69 HZ1 0.0052 -0.0136 -0.0235 1099 LYS 69 HZ2 0.0051 -0.0141 -0.0241 1100 LYS 69 HZ3 0.0019 -0.0092 -0.0267 1101 THR 70 N 0.0010 0.0048 -0.0025 1102 THR 70 CA 0.0005 0.0037 -0.0020 1103 THR 70 C -0.0002 0.0040 -0.0016 1104 THR 70 O 0.0002 0.0043 -0.0019 1105 THR 70 CB 0.0014 0.0027 -0.0023 1106 THR 70 OG1 0.0021 0.0025 -0.0027 1107 THR 70 CG2 0.0009 0.0016 -0.0018 1108 THR 70 H 0.0016 0.0050 -0.0029 1109 THR 70 HA 0.0001 0.0034 -0.0016 1110 THR 70 HB 0.0018 0.0030 -0.0026 1111 THR 70 HG1 0.0024 0.0033 -0.0030 1112 THR 70 HG21 0.0016 0.0009 -0.0020 1113 THR 70 HG22 0.0004 0.0017 -0.0014 1114 THR 70 HG23 0.0006 0.0013 -0.0015 1115 PRO 71 N 0.0085 0.0041 -0.0046 1116 PRO 71 CA 0.0132 0.0052 -0.0060 1117 PRO 71 C 0.0143 0.0057 -0.0116 1118 PRO 71 O 0.0109 0.0050 -0.0147 1119 PRO 71 CB 0.0122 0.0049 -0.0049 1120 PRO 71 CG 0.0078 0.0039 -0.0016 1121 PRO 71 CD 0.0047 0.0032 -0.0029 1122 PRO 71 HA 0.0162 0.0058 -0.0036 1123 PRO 71 HB3 0.0154 0.0056 -0.0028 1124 PRO 71 HB2 0.0114 0.0049 -0.0084 1125 PRO 71 HG3 0.0090 0.0040 0.0024 1126 PRO 71 HG2 0.0057 0.0034 -0.0025 1127 PRO 71 HD2 0.0022 0.0028 -0.0060 1128 PRO 71 HD3 0.0031 0.0027 0.0006 1129 GLY 72 N 0.0263 -0.0129 -0.0189 1130 GLY 72 CA 0.0053 0.0179 0.0063 1131 GLY 72 C 0.0009 0.0120 -0.0256 1132 GLY 72 O -0.0006 0.0223 0.0006 1133 GLY 72 H 0.0093 0.0008 -0.0319 1134 GLY 72 HA3 0.0217 0.0150 0.0509 1135 GLY 72 HA2 -0.0254 0.0513 0.0084 1136 ALA 73 N -0.0016 0.0063 -0.0030 1137 ALA 73 CA -0.0002 0.0067 -0.0001 1138 ALA 73 C -0.0021 0.0044 0.0024 1139 ALA 73 O -0.0045 0.0028 0.0012 1140 ALA 73 CB 0.0012 0.0081 -0.0015 1141 ALA 73 H -0.0020 0.0068 -0.0055 1142 ALA 73 HA 0.0015 0.0076 0.0014 1143 ALA 73 HB1 0.0023 0.0084 0.0007 1144 ALA 73 HB2 0.0026 0.0098 -0.0031 1145 ALA 73 HB3 -0.0005 0.0072 -0.0030 1146 VAL 74 N 0.0093 -0.0041 0.0019 1147 VAL 74 CA 0.0034 -0.0081 0.0105 1148 VAL 74 C 0.0044 -0.0078 0.0136 1149 VAL 74 O -0.0026 -0.0120 0.0173 1150 VAL 74 CB 0.0054 -0.0079 0.0208 1151 VAL 74 CG1 0.0004 -0.0115 0.0305 1152 VAL 74 CG2 0.0026 -0.0092 0.0176 1153 VAL 74 H 0.0164 -0.0004 0.0043 1154 VAL 74 HA -0.0041 -0.0120 0.0078 1155 VAL 74 HB 0.0131 -0.0038 0.0228 1156 VAL 74 HG11 0.0020 -0.0113 0.0375 1157 VAL 74 HG12 0.0029 -0.0103 0.0325 1158 VAL 74 HG13 -0.0074 -0.0156 0.0287 1159 VAL 74 HG21 0.0038 -0.0091 0.0247 1160 VAL 74 HG22 -0.0051 -0.0132 0.0151 1161 VAL 74 HG23 0.0069 -0.0062 0.0109 1162 ASN 75 N 0.0009 -0.0066 0.0102 1163 ASN 75 CA 0.0047 -0.0059 0.0075 1164 ASN 75 C 0.0055 -0.0079 0.0098 1165 ASN 75 O 0.0051 -0.0064 0.0080 1166 ASN 75 CB 0.0033 -0.0020 0.0030 1167 ASN 75 CG 0.0080 -0.0010 -0.0003 1168 ASN 75 OD1 0.0124 -0.0032 0.0006 1169 ASN 75 ND2 0.0073 0.0022 -0.0043 1170 ASN 75 H 0.0023 -0.0073 0.0105 1171 ASN 75 HA 0.0084 -0.0066 0.0069 1172 ASN 75 HB3 0.0002 -0.0012 0.0033 1173 ASN 75 HB2 0.0018 -0.0005 0.0018 1174 ASN 75 HD22 0.0104 0.0029 -0.0065 1175 ASN 75 HD21 0.0037 0.0040 -0.0050 1176 ALA 76 N 0.0056 -0.0063 0.0140 1177 ALA 76 CA 0.0039 -0.0028 0.0115 1178 ALA 76 C 0.0021 -0.0048 0.0053 1179 ALA 76 O 0.0002 -0.0013 0.0021 1180 ALA 76 CB 0.0052 -0.0029 0.0151 1181 ALA 76 H 0.0073 -0.0089 0.0172 1182 ALA 76 HA 0.0029 0.0018 0.0117 1183 ALA 76 HB1 0.0040 -0.0003 0.0132 1184 ALA 76 HB2 0.0064 -0.0010 0.0194 1185 ALA 76 HB3 0.0063 -0.0075 0.0154 1186 CYS 77 N 0.0057 -0.0017 -0.0024 1187 CYS 77 CA 0.0050 -0.0029 -0.0067 1188 CYS 77 C 0.0045 -0.0012 -0.0088 1189 CYS 77 O 0.0039 -0.0017 -0.0125 1190 CYS 77 CB 0.0051 -0.0077 -0.0072 1191 CYS 77 SG 0.0054 -0.0099 -0.0062 1192 CYS 77 H 0.0062 -0.0037 -0.0003 1193 CYS 77 HA 0.0046 -0.0017 -0.0084 1194 CYS 77 HB3 0.0046 -0.0085 -0.0103 1195 CYS 77 HB2 0.0056 -0.0090 -0.0051 1196 HIS 78 N 0.0076 0.0065 -0.0011 1197 HIS 78 CA -0.0024 -0.0167 -0.0016 1198 HIS 78 C -0.0113 -0.0258 0.0005 1199 HIS 78 O -0.0292 -0.0348 0.0066 1200 HIS 78 CB -0.0178 -0.0188 0.0048 1201 HIS 78 CG -0.0073 -0.0133 0.0013 1202 HIS 78 ND1 -0.0065 0.0077 0.0054 1203 HIS 78 CD2 0.0031 -0.0266 -0.0061 1204 HIS 78 CE1 0.0040 0.0074 0.0006 1205 HIS 78 NE2 0.0099 -0.0134 -0.0064 1206 HIS 78 H 0.0225 0.0099 -0.0071 1207 HIS 78 HA 0.0102 -0.0273 -0.0094 1208 HIS 78 HB3 -0.0255 -0.0360 0.0046 1209 HIS 78 HB2 -0.0303 -0.0075 0.0128 1210 HIS 78 HD1 -0.0134 0.0205 0.0111 1211 HIS 78 HD2 0.0047 -0.0441 -0.0105 1212 HIS 78 HE1 0.0063 0.0226 0.0028 1213 LEU 79 N 0.0275 0.0021 -0.0152 1214 LEU 79 CA 0.0243 0.0040 -0.0116 1215 LEU 79 C 0.0148 0.0074 -0.0031 1216 LEU 79 O 0.0069 0.0042 -0.0026 1217 LEU 79 CB 0.0191 -0.0047 -0.0185 1218 LEU 79 CG 0.0239 -0.0079 -0.0244 1219 LEU 79 CD1 0.0161 -0.0154 -0.0285 1220 LEU 79 CD2 0.0314 -0.0021 -0.0219 1221 LEU 79 H 0.0215 0.0001 -0.0144 1222 LEU 79 HA 0.0312 0.0081 -0.0107 1223 LEU 79 HB3 0.0108 -0.0054 -0.0150 1224 LEU 79 HB2 0.0166 -0.0095 -0.0223 1225 LEU 79 HG 0.0294 -0.0106 -0.0300 1226 LEU 79 HD11 0.0204 -0.0174 -0.0329 1227 LEU 79 HD12 0.0128 -0.0205 -0.0323 1228 LEU 79 HD13 0.0094 -0.0137 -0.0233 1229 LEU 79 HD21 0.0343 -0.0057 -0.0272 1230 LEU 79 HD22 0.0270 0.0014 -0.0158 1231 LEU 79 HD23 0.0384 0.0021 -0.0208 1232 SER 80 N 0.0272 0.0264 -0.0091 1233 SER 80 CA 0.0089 0.0287 0.0082 1234 SER 80 C -0.0076 0.0091 0.0030 1235 SER 80 O -0.0026 -0.0012 -0.0111 1236 SER 80 CB 0.0150 0.0436 0.0176 1237 SER 80 OG -0.0027 0.0441 0.0327 1238 SER 80 H 0.0407 0.0328 -0.0140 1239 SER 80 HA 0.0026 0.0337 0.0182 1240 SER 80 HB3 0.0234 0.0397 0.0069 1241 SER 80 HB2 0.0255 0.0580 0.0229 1242 SER 80 HG -0.0095 0.0485 0.0426 1243 CYS 81 N -0.0073 0.0032 0.0015 1244 CYS 81 CA -0.0109 0.0003 0.0006 1245 CYS 81 C -0.0147 -0.0032 0.0006 1246 CYS 81 O -0.0182 -0.0054 -0.0015 1247 CYS 81 CB -0.0103 -0.0009 0.0043 1248 CYS 81 SG -0.0063 0.0029 0.0041 1249 CYS 81 H -0.0049 0.0041 0.0044 1250 CYS 81 HA -0.0115 0.0016 -0.0031 1251 CYS 81 HB3 -0.0131 -0.0032 0.0037 1252 CYS 81 HB2 -0.0096 -0.0021 0.0081 1253 SER 82 N -0.0093 -0.0092 0.0050 1254 SER 82 CA -0.0223 -0.0258 -0.0001 1255 SER 82 C -0.0479 -0.0136 0.0022 1256 SER 82 O -0.0545 -0.0187 0.0005 1257 SER 82 CB -0.0270 -0.0531 -0.0077 1258 SER 82 OG -0.0480 -0.0529 -0.0085 1259 SER 82 H -0.0064 -0.0161 0.0032 1260 SER 82 HA -0.0079 -0.0279 -0.0000 1261 SER 82 HB3 -0.0085 -0.0604 -0.0089 1262 SER 82 HB2 -0.0321 -0.0662 -0.0115 1263 SER 82 HG -0.0418 -0.0451 -0.0062 1264 ALA 83 N -0.0191 -0.0091 0.0009 1265 ALA 83 CA -0.0178 -0.0100 -0.0012 1266 ALA 83 C -0.0253 -0.0098 -0.0074 1267 ALA 83 O -0.0263 -0.0097 -0.0079 1268 ALA 83 CB -0.0090 -0.0137 -0.0054 1269 ALA 83 H -0.0147 -0.0108 -0.0009 1270 ALA 83 HA -0.0175 -0.0083 0.0049 1271 ALA 83 HB1 -0.0080 -0.0145 -0.0070 1272 ALA 83 HB2 -0.0036 -0.0139 -0.0008 1273 ALA 83 HB3 -0.0091 -0.0155 -0.0114 1274 LEU 84 N -0.0128 -0.0061 -0.0042 1275 LEU 84 CA -0.0154 -0.0066 -0.0065 1276 LEU 84 C -0.0187 -0.0066 -0.0048 1277 LEU 84 O -0.0212 -0.0070 -0.0064 1278 LEU 84 CB -0.0150 -0.0068 -0.0083 1279 LEU 84 CG -0.0119 -0.0067 -0.0102 1280 LEU 84 CD1 -0.0116 -0.0069 -0.0117 1281 LEU 84 CD2 -0.0112 -0.0069 -0.0126 1282 LEU 84 H -0.0120 -0.0059 -0.0032 1283 LEU 84 HA -0.0152 -0.0068 -0.0082 1284 LEU 84 HB3 -0.0171 -0.0071 -0.0100 1285 LEU 84 HB2 -0.0154 -0.0066 -0.0066 1286 LEU 84 HG -0.0099 -0.0064 -0.0084 1287 LEU 84 HD11 -0.0093 -0.0068 -0.0130 1288 LEU 84 HD12 -0.0117 -0.0067 -0.0098 1289 LEU 84 HD13 -0.0136 -0.0072 -0.0134 1290 LEU 84 HD21 -0.0089 -0.0069 -0.0138 1291 LEU 84 HD22 -0.0131 -0.0073 -0.0143 1292 LEU 84 HD23 -0.0111 -0.0068 -0.0113 1293 LEU 85 N -0.0206 0.0028 0.0055 1294 LEU 85 CA -0.0176 0.0028 0.0038 1295 LEU 85 C -0.0231 0.0011 0.0061 1296 LEU 85 O -0.0216 -0.0001 0.0047 1297 LEU 85 CB -0.0129 -0.0025 -0.0017 1298 LEU 85 CG -0.0068 -0.0008 -0.0044 1299 LEU 85 CD1 -0.0030 -0.0067 -0.0097 1300 LEU 85 CD2 -0.0020 0.0063 -0.0036 1301 LEU 85 H -0.0232 -0.0019 0.0047 1302 LEU 85 HA -0.0145 0.0080 0.0046 1303 LEU 85 HB3 -0.0111 -0.0028 -0.0029 1304 LEU 85 HB2 -0.0159 -0.0078 -0.0026 1305 LEU 85 HG -0.0088 -0.0005 -0.0031 1306 LEU 85 HD11 0.0013 -0.0054 -0.0116 1307 LEU 85 HD12 -0.0064 -0.0116 -0.0102 1308 LEU 85 HD13 -0.0012 -0.0073 -0.0111 1309 LEU 85 HD21 0.0022 0.0072 -0.0056 1310 LEU 85 HD22 -0.0000 0.0062 -0.0048 1311 LEU 85 HD23 -0.0047 0.0105 0.0002 1312 GLN 86 N -0.0312 0.0084 0.0175 1313 GLN 86 CA -0.0266 0.0109 0.0235 1314 GLN 86 C -0.0300 0.0110 0.0214 1315 GLN 86 O -0.0334 0.0073 0.0147 1316 GLN 86 CB -0.0166 0.0062 0.0244 1317 GLN 86 CG -0.0118 0.0063 0.0276 1318 GLN 86 CD -0.0021 0.0011 0.0278 1319 GLN 86 OE1 0.0034 0.0033 0.0341 1320 GLN 86 NE2 -0.0001 -0.0049 0.0221 1321 GLN 86 H -0.0279 0.0035 0.0139 1322 GLN 86 HA -0.0275 0.0161 0.0290 1323 GLN 86 HB3 -0.0135 0.0075 0.0280 1324 GLN 86 HB2 -0.0158 0.0010 0.0188 1325 GLN 86 HG3 -0.0149 0.0049 0.0240 1326 GLN 86 HG2 -0.0121 0.0114 0.0335 1327 GLN 86 HE22 0.0063 -0.0084 0.0221 1328 GLN 86 HE21 -0.0048 -0.0064 0.0173 1329 ASP 87 N -0.0024 -0.0056 0.0310 1330 ASP 87 CA -0.0145 -0.0038 0.0243 1331 ASP 87 C -0.0174 0.0069 0.0145 1332 ASP 87 O -0.0228 0.0125 0.0077 1333 ASP 87 CB -0.0260 -0.0137 0.0271 1334 ASP 87 CG -0.0271 -0.0239 0.0348 1335 ASP 87 OD1 -0.0193 -0.0238 0.0381 1336 ASP 87 OD2 -0.0361 -0.0322 0.0375 1337 ASP 87 H -0.0029 -0.0117 0.0356 1338 ASP 87 HA -0.0132 -0.0031 0.0243 1339 ASP 87 HB3 -0.0351 -0.0110 0.0211 1340 ASP 87 HB2 -0.0258 -0.0159 0.0290 1341 ASN 88 N -0.0229 0.0168 0.0245 1342 ASN 88 CA -0.0062 0.0087 0.0090 1343 ASN 88 C -0.0155 0.0011 0.0105 1344 ASN 88 O -0.0219 0.0138 0.0221 1345 ASN 88 CB 0.0146 0.0292 0.0078 1346 ASN 88 CG 0.0336 0.0216 -0.0090 1347 ASN 88 OD1 0.0331 0.0148 -0.0127 1348 ASN 88 ND2 0.0501 0.0223 -0.0192 1349 ASN 88 H -0.0209 0.0337 0.0333 1350 ASN 88 HA -0.0022 -0.0051 -0.0018 1351 ASN 88 HB3 0.0107 0.0418 0.0177 1352 ASN 88 HB2 0.0193 0.0369 0.0093 1353 ASN 88 HD22 0.0634 0.0175 -0.0306 1354 ASN 88 HD21 0.0493 0.0276 -0.0156 1355 ILE 89 N -0.0057 0.0006 -0.0022 1356 ILE 89 CA -0.0065 -0.0009 -0.0038 1357 ILE 89 C -0.0057 -0.0031 -0.0037 1358 ILE 89 O -0.0062 -0.0045 -0.0050 1359 ILE 89 CB -0.0073 -0.0004 -0.0046 1360 ILE 89 CG1 -0.0063 -0.0008 -0.0036 1361 ILE 89 CG2 -0.0083 0.0019 -0.0050 1362 ILE 89 CD1 -0.0071 -0.0006 -0.0045 1363 ILE 89 H -0.0051 0.0008 -0.0013 1364 ILE 89 HA -0.0073 -0.0006 -0.0047 1365 ILE 89 HB -0.0079 -0.0014 -0.0059 1366 ILE 89 HG13 -0.0056 -0.0024 -0.0033 1367 ILE 89 HG12 -0.0057 0.0002 -0.0023 1368 ILE 89 HG21 -0.0088 0.0022 -0.0056 1369 ILE 89 HG22 -0.0090 0.0020 -0.0059 1370 ILE 89 HG23 -0.0077 0.0030 -0.0037 1371 ILE 89 HD11 -0.0063 -0.0009 -0.0036 1372 ILE 89 HD12 -0.0077 -0.0017 -0.0057 1373 ILE 89 HD13 -0.0077 0.0010 -0.0047 1374 ALA 90 N 0.0010 -0.0004 -0.0098 1375 ALA 90 CA 0.0050 -0.0106 -0.0092 1376 ALA 90 C 0.0063 -0.0182 -0.0184 1377 ALA 90 O 0.0076 -0.0238 -0.0233 1378 ALA 90 CB 0.0087 -0.0152 0.0018 1379 ALA 90 H 0.0010 0.0027 -0.0033 1380 ALA 90 HA 0.0046 -0.0098 -0.0101 1381 ALA 90 HB1 0.0116 -0.0229 0.0019 1382 ALA 90 HB2 0.0079 -0.0101 0.0083 1383 ALA 90 HB3 0.0091 -0.0159 0.0029 1384 ASP 91 N 0.0035 -0.0210 -0.0305 1385 ASP 91 CA 0.0059 -0.0229 -0.0330 1386 ASP 91 C -0.0003 -0.0242 -0.0403 1387 ASP 91 O 0.0025 -0.0277 -0.0459 1388 ASP 91 CB 0.0066 -0.0199 -0.0258 1389 ASP 91 CG 0.0144 -0.0197 -0.0194 1390 ASP 91 OD1 0.0211 -0.0228 -0.0212 1391 ASP 91 OD2 0.0139 -0.0163 -0.0124 1392 ASP 91 H 0.0013 -0.0177 -0.0250 1393 ASP 91 HA 0.0122 -0.0260 -0.0350 1394 ASP 91 HB3 0.0068 -0.0211 -0.0282 1395 ASP 91 HB2 0.0008 -0.0166 -0.0229 1396 ALA 92 N -0.0046 -0.0093 -0.0191 1397 ALA 92 CA -0.0049 -0.0084 -0.0210 1398 ALA 92 C -0.0048 -0.0077 -0.0230 1399 ALA 92 O -0.0039 -0.0074 -0.0247 1400 ALA 92 CB -0.0069 -0.0076 -0.0207 1401 ALA 92 H -0.0057 -0.0093 -0.0178 1402 ALA 92 HA -0.0036 -0.0088 -0.0214 1403 ALA 92 HB1 -0.0071 -0.0070 -0.0221 1404 ALA 92 HB2 -0.0069 -0.0081 -0.0194 1405 ALA 92 HB3 -0.0082 -0.0072 -0.0203 1406 VAL 93 N 0.0056 -0.0030 -0.0162 1407 VAL 93 CA 0.0046 -0.0013 -0.0137 1408 VAL 93 C 0.0036 -0.0043 -0.0137 1409 VAL 93 O 0.0040 -0.0032 -0.0139 1410 VAL 93 CB 0.0028 0.0002 -0.0099 1411 VAL 93 CG1 0.0013 0.0009 -0.0071 1412 VAL 93 CG2 0.0041 0.0041 -0.0099 1413 VAL 93 H 0.0048 -0.0034 -0.0151 1414 VAL 93 HA 0.0061 0.0013 -0.0147 1415 VAL 93 HB 0.0015 -0.0021 -0.0092 1416 VAL 93 HG11 -0.0000 0.0019 -0.0045 1417 VAL 93 HG12 0.0003 -0.0019 -0.0071 1418 VAL 93 HG13 0.0025 0.0032 -0.0078 1419 VAL 93 HG21 0.0028 0.0052 -0.0072 1420 VAL 93 HG22 0.0054 0.0064 -0.0106 1421 VAL 93 HG23 0.0051 0.0036 -0.0118 1422 ALA 94 N 0.0057 -0.0115 -0.0292 1423 ALA 94 CA 0.0032 -0.0098 -0.0284 1424 ALA 94 C 0.0064 -0.0088 -0.0270 1425 ALA 94 O 0.0058 -0.0061 -0.0250 1426 ALA 94 CB 0.0000 -0.0123 -0.0310 1427 ALA 94 H 0.0052 -0.0140 -0.0313 1428 ALA 94 HA 0.0013 -0.0074 -0.0269 1429 ALA 94 HB1 -0.0018 -0.0110 -0.0303 1430 ALA 94 HB2 -0.0023 -0.0128 -0.0319 1431 ALA 94 HB3 0.0019 -0.0148 -0.0325 1432 CYS 95 N 0.0012 -0.0072 -0.0276 1433 CYS 95 CA 0.0024 -0.0062 -0.0221 1434 CYS 95 C 0.0040 -0.0075 -0.0186 1435 CYS 95 O 0.0040 -0.0046 -0.0146 1436 CYS 95 CB 0.0036 -0.0086 -0.0212 1437 CYS 95 SG 0.0050 -0.0073 -0.0146 1438 CYS 95 H 0.0017 -0.0101 -0.0299 1439 CYS 95 HA 0.0010 -0.0022 -0.0214 1440 CYS 95 HB3 0.0049 -0.0127 -0.0222 1441 CYS 95 HB2 0.0024 -0.0074 -0.0240 1442 ALA 96 N 0.0006 0.0005 -0.0105 1443 ALA 96 CA 0.0022 0.0025 -0.0088 1444 ALA 96 C 0.0003 0.0051 -0.0075 1445 ALA 96 O 0.0016 0.0071 -0.0058 1446 ALA 96 CB 0.0029 0.0019 -0.0090 1447 ALA 96 H 0.0000 -0.0009 -0.0116 1448 ALA 96 HA 0.0043 0.0025 -0.0082 1449 ALA 96 HB1 0.0041 0.0034 -0.0077 1450 ALA 96 HB2 0.0044 0.0000 -0.0099 1451 ALA 96 HB3 0.0009 0.0018 -0.0096 1452 LYS 97 N 0.0057 0.0093 -0.0085 1453 LYS 97 CA 0.0030 0.0082 -0.0043 1454 LYS 97 C 0.0002 0.0059 -0.0056 1455 LYS 97 O -0.0005 0.0059 -0.0030 1456 LYS 97 CB 0.0008 0.0070 -0.0021 1457 LYS 97 CG 0.0034 0.0094 0.0005 1458 LYS 97 CD 0.0011 0.0081 0.0023 1459 LYS 97 CE 0.0035 0.0105 0.0052 1460 LYS 97 NZ 0.0013 0.0091 0.0065 1461 LYS 97 H 0.0058 0.0091 -0.0096 1462 LYS 97 HA 0.0047 0.0100 -0.0017 1463 LYS 97 HB3 -0.0017 0.0057 0.0003 1464 LYS 97 HB2 -0.0004 0.0056 -0.0050 1465 LYS 97 HG3 0.0059 0.0108 -0.0019 1466 LYS 97 HG2 0.0043 0.0108 0.0035 1467 LYS 97 HD3 -0.0016 0.0066 0.0044 1468 LYS 97 HD2 0.0003 0.0069 -0.0007 1469 LYS 97 HE3 0.0063 0.0121 0.0032 1470 LYS 97 HE2 0.0040 0.0115 0.0085 1471 LYS 97 HZ1 0.0032 0.0106 0.0071 1472 LYS 97 HZ2 -0.0003 0.0075 0.0039 1473 LYS 97 HZ3 -0.0006 0.0084 0.0095 1474 ARG 98 N -0.0025 0.0017 -0.0122 1475 ARG 98 CA -0.0045 0.0027 -0.0112 1476 ARG 98 C -0.0037 0.0023 -0.0087 1477 ARG 98 O -0.0051 0.0029 -0.0066 1478 ARG 98 CB -0.0058 0.0033 -0.0136 1479 ARG 98 CG -0.0076 0.0042 -0.0126 1480 ARG 98 CD -0.0099 0.0053 -0.0112 1481 ARG 98 NE -0.0115 0.0061 -0.0100 1482 ARG 98 CZ -0.0114 0.0060 -0.0074 1483 ARG 98 NH1 -0.0096 0.0051 -0.0055 1484 ARG 98 NH2 -0.0132 0.0069 -0.0067 1485 ARG 98 H -0.0019 0.0015 -0.0143 1486 ARG 98 HA -0.0060 0.0034 -0.0104 1487 ARG 98 HB3 -0.0043 0.0026 -0.0148 1488 ARG 98 HB2 -0.0067 0.0038 -0.0150 1489 ARG 98 HG3 -0.0066 0.0037 -0.0111 1490 ARG 98 HG2 -0.0081 0.0045 -0.0143 1491 ARG 98 HD3 -0.0110 0.0059 -0.0127 1492 ARG 98 HD2 -0.0094 0.0050 -0.0095 1493 ARG 98 HE -0.0128 0.0067 -0.0114 1494 ARG 98 HH12 -0.0096 0.0051 -0.0036 1495 ARG 98 HH11 -0.0083 0.0045 -0.0061 1496 ARG 98 HH22 -0.0132 0.0068 -0.0047 1497 ARG 98 HH21 -0.0145 0.0075 -0.0081 1498 VAL 99 N 0.0001 0.0041 -0.0038 1499 VAL 99 CA 0.0006 0.0040 -0.0029 1500 VAL 99 C 0.0006 0.0044 -0.0026 1501 VAL 99 O 0.0008 0.0049 -0.0019 1502 VAL 99 CB 0.0011 0.0030 -0.0028 1503 VAL 99 CG1 0.0016 0.0028 -0.0019 1504 VAL 99 CG2 0.0011 0.0025 -0.0030 1505 VAL 99 H 0.0001 0.0035 -0.0042 1506 VAL 99 HA 0.0007 0.0043 -0.0025 1507 VAL 99 HB 0.0009 0.0026 -0.0033 1508 VAL 99 HG11 0.0019 0.0021 -0.0019 1509 VAL 99 HG12 0.0015 0.0031 -0.0018 1510 VAL 99 HG13 0.0017 0.0032 -0.0014 1511 VAL 99 HG21 0.0015 0.0018 -0.0029 1512 VAL 99 HG22 0.0013 0.0028 -0.0025 1513 VAL 99 HG23 0.0008 0.0025 -0.0036 1514 VAL 100 N 0.0024 0.0028 0.0003 1515 VAL 100 CA 0.0026 0.0029 0.0018 1516 VAL 100 C 0.0016 0.0006 0.0031 1517 VAL 100 O 0.0017 0.0006 0.0042 1518 VAL 100 CB 0.0038 0.0049 0.0035 1519 VAL 100 CG1 0.0047 0.0072 0.0020 1520 VAL 100 CG2 0.0039 0.0047 0.0057 1521 VAL 100 H 0.0028 0.0034 0.0010 1522 VAL 100 HA 0.0026 0.0033 0.0004 1523 VAL 100 HB 0.0039 0.0050 0.0043 1524 VAL 100 HG11 0.0056 0.0086 0.0033 1525 VAL 100 HG12 0.0047 0.0075 0.0006 1526 VAL 100 HG13 0.0046 0.0072 0.0010 1527 VAL 100 HG21 0.0047 0.0062 0.0069 1528 VAL 100 HG22 0.0037 0.0045 0.0050 1529 VAL 100 HG23 0.0032 0.0031 0.0069 1530 ARG 101 N -0.0034 -0.0055 -0.0026 1531 ARG 101 CA -0.0103 -0.0112 0.0019 1532 ARG 101 C -0.0180 -0.0147 0.0016 1533 ARG 101 O -0.0232 -0.0200 0.0068 1534 ARG 101 CB -0.0136 -0.0113 -0.0008 1535 ARG 101 CG -0.0069 -0.0101 0.0028 1536 ARG 101 CD -0.0107 -0.0116 0.0023 1537 ARG 101 NE -0.0144 -0.0083 -0.0069 1538 ARG 101 CZ -0.0100 -0.0035 -0.0119 1539 ARG 101 NH1 -0.0010 -0.0004 -0.0098 1540 ARG 101 NH2 -0.0144 -0.0012 -0.0197 1541 ARG 101 H -0.0036 -0.0023 -0.0086 1542 ARG 101 HA -0.0069 -0.0135 0.0089 1543 ARG 101 HB3 -0.0201 -0.0154 0.0013 1544 ARG 101 HB2 -0.0153 -0.0081 -0.0080 1545 ARG 101 HG3 -0.0012 -0.0056 -0.0005 1546 ARG 101 HG2 -0.0038 -0.0125 0.0097 1547 ARG 101 HD3 -0.0054 -0.0109 0.0054 1548 ARG 101 HD2 -0.0161 -0.0163 0.0061 1549 ARG 101 HE -0.0209 -0.0101 -0.0092 1550 ARG 101 HH12 0.0022 0.0033 -0.0138 1551 ARG 101 HH11 0.0026 -0.0018 -0.0041 1552 ARG 101 HH22 -0.0110 0.0025 -0.0235 1553 ARG 101 HH21 -0.0212 -0.0032 -0.0217 1554 ASP 102 N -0.0060 -0.0143 -0.0018 1555 ASP 102 CA -0.0075 -0.0152 -0.0028 1556 ASP 102 C -0.0062 -0.0149 -0.0004 1557 ASP 102 O -0.0037 -0.0134 0.0011 1558 ASP 102 CB -0.0074 -0.0140 -0.0065 1559 ASP 102 CG -0.0097 -0.0150 -0.0089 1560 ASP 102 OD1 -0.0111 -0.0164 -0.0078 1561 ASP 102 OD2 -0.0101 -0.0144 -0.0120 1562 ASP 102 H -0.0046 -0.0128 -0.0033 1563 ASP 102 HA -0.0097 -0.0170 -0.0025 1564 ASP 102 HB3 -0.0076 -0.0140 -0.0069 1565 ASP 102 HB2 -0.0054 -0.0122 -0.0071 1566 PRO 103 N -0.0001 -0.0256 -0.0114 1567 PRO 103 CA -0.0004 -0.0247 -0.0122 1568 PRO 103 C -0.0022 -0.0458 -0.0081 1569 PRO 103 O -0.0079 -0.0490 -0.0183 1570 PRO 103 CB 0.0102 -0.0082 0.0029 1571 PRO 103 CG 0.0129 0.0061 0.0031 1572 PRO 103 CD 0.0085 -0.0087 -0.0004 1573 PRO 103 HA -0.0065 -0.0176 -0.0269 1574 PRO 103 HB3 0.0095 0.0016 -0.0021 1575 PRO 103 HB2 0.0160 -0.0168 0.0175 1576 PRO 103 HG3 0.0091 0.0188 -0.0090 1577 PRO 103 HG2 0.0214 0.0123 0.0177 1578 PRO 103 HD2 0.0143 -0.0160 0.0138 1579 PRO 103 HD3 0.0055 0.0003 -0.0095 1580 GLN 104 N 0.0154 -0.0109 -0.0041 1581 GLN 104 CA 0.0095 -0.0109 -0.0043 1582 GLN 104 C 0.0132 -0.0097 -0.0035 1583 GLN 104 O 0.0100 -0.0110 -0.0044 1584 GLN 104 CB 0.0041 -0.0046 -0.0011 1585 GLN 104 CG -0.0035 -0.0057 -0.0020 1586 GLN 104 CD -0.0090 0.0004 0.0011 1587 GLN 104 OE1 -0.0158 -0.0003 0.0005 1588 GLN 104 NE2 -0.0059 0.0064 0.0045 1589 GLN 104 H 0.0151 -0.0072 -0.0021 1590 GLN 104 HA 0.0063 -0.0155 -0.0070 1591 GLN 104 HB3 0.0035 -0.0019 0.0003 1592 GLN 104 HB2 0.0070 -0.0009 0.0010 1593 GLN 104 HG3 -0.0029 -0.0070 -0.0027 1594 GLN 104 HG2 -0.0061 -0.0101 -0.0045 1595 GLN 104 HE22 -0.0092 0.0106 0.0067 1596 GLN 104 HE21 -0.0002 0.0068 0.0049 1597 GLY 105 N 0.0122 -0.0005 -0.0035 1598 GLY 105 CA 0.0135 0.0012 -0.0017 1599 GLY 105 C 0.0116 0.0045 -0.0012 1600 GLY 105 O 0.0103 0.0062 -0.0012 1601 GLY 105 H 0.0132 -0.0014 -0.0033 1602 GLY 105 HA3 0.0138 -0.0000 -0.0021 1603 GLY 105 HA2 0.0156 0.0012 -0.0001 1604 ILE 106 N 0.0106 0.0059 0.0030 1605 ILE 106 CA 0.0075 0.0053 0.0055 1606 ILE 106 C 0.0067 0.0052 0.0056 1607 ILE 106 O 0.0046 0.0046 0.0079 1608 ILE 106 CB 0.0041 0.0052 0.0044 1609 ILE 106 CG1 0.0010 0.0045 0.0073 1610 ILE 106 CG2 0.0026 0.0058 0.0006 1611 ILE 106 CD1 -0.0015 0.0043 0.0073 1612 ILE 106 H 0.0100 0.0063 0.0006 1613 ILE 106 HA 0.0084 0.0048 0.0083 1614 ILE 106 HB 0.0050 0.0053 0.0043 1615 ILE 106 HG13 0.0022 0.0041 0.0101 1616 ILE 106 HG12 -0.0008 0.0044 0.0069 1617 ILE 106 HG21 0.0001 0.0057 0.0000 1618 ILE 106 HG22 0.0047 0.0063 -0.0014 1619 ILE 106 HG23 0.0018 0.0057 0.0005 1620 ILE 106 HD11 -0.0036 0.0037 0.0095 1621 ILE 106 HD12 0.0003 0.0043 0.0079 1622 ILE 106 HD13 -0.0028 0.0046 0.0046 1623 ARG 107 N 0.0112 0.0077 0.0024 1624 ARG 107 CA 0.0003 0.0072 0.0025 1625 ARG 107 C -0.0032 0.0152 0.0069 1626 ARG 107 O -0.0127 0.0162 0.0077 1627 ARG 107 CB -0.0022 -0.0015 -0.0022 1628 ARG 107 CG -0.0009 -0.0097 -0.0066 1629 ARG 107 CD -0.0027 -0.0185 -0.0113 1630 ARG 107 NE 0.0015 -0.0260 -0.0155 1631 ARG 107 CZ 0.0110 -0.0253 -0.0154 1632 ARG 107 NH1 0.0184 -0.0215 -0.0136 1633 ARG 107 NH2 0.0131 -0.0283 -0.0171 1634 ARG 107 H 0.0162 0.0034 -0.0001 1635 ARG 107 HA -0.0039 0.0071 0.0025 1636 ARG 107 HB3 -0.0100 -0.0013 -0.0018 1637 ARG 107 HB2 0.0028 -0.0021 -0.0026 1638 ARG 107 HG3 0.0067 -0.0096 -0.0068 1639 ARG 107 HG2 -0.0062 -0.0093 -0.0062 1640 ARG 107 HD3 -0.0109 -0.0196 -0.0117 1641 ARG 107 HD2 0.0011 -0.0182 -0.0113 1642 ARG 107 HE -0.0027 -0.0316 -0.0184 1643 ARG 107 HH12 0.0255 -0.0209 -0.0135 1644 ARG 107 HH11 0.0169 -0.0191 -0.0123 1645 ARG 107 HH22 0.0203 -0.0277 -0.0170 1646 ARG 107 HH21 0.0076 -0.0313 -0.0185 1647 ALA 108 N 0.0024 0.0104 0.0048 1648 ALA 108 CA 0.0020 0.0122 0.0065 1649 ALA 108 C 0.0004 0.0122 0.0077 1650 ALA 108 O -0.0007 0.0131 0.0093 1651 ALA 108 CB 0.0039 0.0140 0.0065 1652 ALA 108 H 0.0038 0.0105 0.0037 1653 ALA 108 HA 0.0014 0.0123 0.0070 1654 ALA 108 HB1 0.0035 0.0153 0.0078 1655 ALA 108 HB2 0.0049 0.0141 0.0057 1656 ALA 108 HB3 0.0045 0.0139 0.0059 1657 TRP 109 N 0.0024 0.0083 0.0081 1658 TRP 109 CA 0.0015 0.0064 0.0092 1659 TRP 109 C 0.0011 0.0060 0.0092 1660 TRP 109 O 0.0002 0.0062 0.0077 1661 TRP 109 CB -0.0001 0.0054 0.0083 1662 TRP 109 CG -0.0001 0.0052 0.0085 1663 TRP 109 CD1 -0.0001 0.0040 0.0100 1664 TRP 109 CD2 -0.0002 0.0063 0.0072 1665 TRP 109 NE1 -0.0001 0.0043 0.0096 1666 TRP 109 CE2 -0.0002 0.0056 0.0079 1667 TRP 109 CE3 -0.0003 0.0077 0.0054 1668 TRP 109 CZ2 -0.0003 0.0064 0.0070 1669 TRP 109 CZ3 -0.0004 0.0084 0.0045 1670 TRP 109 CH2 -0.0004 0.0077 0.0052 1671 TRP 109 H 0.0017 0.0088 0.0067 1672 TRP 109 HA 0.0022 0.0060 0.0106 1673 TRP 109 HB3 -0.0009 0.0040 0.0089 1674 TRP 109 HB2 -0.0009 0.0058 0.0069 1675 TRP 109 HD1 0.0000 0.0031 0.0112 1676 TRP 109 HE1 -0.0001 0.0035 0.0106 1677 TRP 109 HE3 -0.0003 0.0082 0.0048 1678 TRP 109 HZ2 -0.0003 0.0058 0.0076 1679 TRP 109 HZ3 -0.0004 0.0095 0.0031 1680 TRP 109 HH2 -0.0005 0.0083 0.0044 1681 VAL 110 N -0.0106 0.0082 0.0014 1682 VAL 110 CA -0.0007 0.0107 0.0072 1683 VAL 110 C -0.0024 0.0051 0.0046 1684 VAL 110 O 0.0008 0.0114 0.0082 1685 VAL 110 CB 0.0126 0.0067 0.0127 1686 VAL 110 CG1 0.0147 0.0110 0.0152 1687 VAL 110 CG2 0.0177 -0.0075 0.0108 1688 VAL 110 H -0.0087 0.0029 0.0007 1689 VAL 110 HA -0.0018 0.0215 0.0101 1690 VAL 110 HB 0.0183 0.0126 0.0175 1691 VAL 110 HG11 0.0244 0.0078 0.0191 1692 VAL 110 HG12 0.0127 0.0219 0.0176 1693 VAL 110 HG13 0.0085 0.0066 0.0106 1694 VAL 110 HG21 0.0272 -0.0098 0.0149 1695 VAL 110 HG22 0.0117 -0.0142 0.0056 1696 VAL 110 HG23 0.0177 -0.0089 0.0104 1697 ALA 111 N 0.0062 0.0010 0.0067 1698 ALA 111 CA 0.0043 0.0012 0.0068 1699 ALA 111 C 0.0017 0.0041 0.0066 1700 ALA 111 O 0.0010 0.0056 0.0065 1701 ALA 111 CB 0.0024 -0.0021 0.0074 1702 ALA 111 H 0.0062 -0.0012 0.0070 1703 ALA 111 HA 0.0060 0.0017 0.0066 1704 ALA 111 HB1 0.0010 -0.0018 0.0075 1705 ALA 111 HB2 0.0043 -0.0041 0.0075 1706 ALA 111 HB3 0.0007 -0.0026 0.0076 1707 TRP 112 N -0.0037 0.0072 0.0064 1708 TRP 112 CA -0.0036 0.0071 0.0052 1709 TRP 112 C -0.0041 0.0071 0.0031 1710 TRP 112 O -0.0052 0.0073 0.0022 1711 TRP 112 CB -0.0018 0.0066 0.0054 1712 TRP 112 CG -0.0018 0.0065 0.0043 1713 TRP 112 CD1 -0.0024 0.0068 0.0050 1714 TRP 112 CD2 -0.0013 0.0062 0.0024 1715 TRP 112 NE1 -0.0022 0.0066 0.0035 1716 TRP 112 CE2 -0.0015 0.0063 0.0019 1717 TRP 112 CE3 -0.0005 0.0059 0.0010 1718 TRP 112 CZ2 -0.0011 0.0060 0.0002 1719 TRP 112 CZ3 -0.0001 0.0056 -0.0007 1720 TRP 112 CH2 -0.0004 0.0057 -0.0012 1721 TRP 112 H -0.0025 0.0070 0.0070 1722 TRP 112 HA -0.0047 0.0075 0.0057 1723 TRP 112 HB3 -0.0007 0.0063 0.0049 1724 TRP 112 HB2 -0.0015 0.0067 0.0070 1725 TRP 112 HD1 -0.0029 0.0070 0.0064 1726 TRP 112 HE1 -0.0026 0.0067 0.0037 1727 TRP 112 HE3 -0.0003 0.0058 0.0014 1728 TRP 112 HZ2 -0.0013 0.0060 -0.0002 1729 TRP 112 HZ3 0.0005 0.0054 -0.0018 1730 TRP 112 HH2 -0.0001 0.0055 -0.0026 1731 ARG 113 N -0.0065 0.0104 0.0050 1732 ARG 113 CA -0.0076 0.0087 0.0049 1733 ARG 113 C -0.0086 0.0082 0.0050 1734 ARG 113 O -0.0088 0.0066 0.0047 1735 ARG 113 CB -0.0090 0.0090 0.0052 1736 ARG 113 CG -0.0081 0.0095 0.0052 1737 ARG 113 CD -0.0096 0.0098 0.0055 1738 ARG 113 NE -0.0091 0.0111 0.0057 1739 ARG 113 CZ -0.0103 0.0118 0.0061 1740 ARG 113 NH1 -0.0121 0.0114 0.0064 1741 ARG 113 NH2 -0.0096 0.0130 0.0062 1742 ARG 113 H -0.0067 0.0116 0.0053 1743 ARG 113 HA -0.0067 0.0076 0.0044 1744 ARG 113 HB3 -0.0098 0.0077 0.0051 1745 ARG 113 HB2 -0.0100 0.0099 0.0057 1746 ARG 113 HG3 -0.0074 0.0108 0.0053 1747 ARG 113 HG2 -0.0072 0.0085 0.0047 1748 ARG 113 HD3 -0.0100 0.0084 0.0053 1749 ARG 113 HD2 -0.0109 0.0102 0.0059 1750 ARG 113 HE -0.0078 0.0114 0.0055 1751 ARG 113 HH12 -0.0129 0.0119 0.0067 1752 ARG 113 HH11 -0.0125 0.0104 0.0063 1753 ARG 113 HH22 -0.0105 0.0136 0.0065 1754 ARG 113 HH21 -0.0082 0.0134 0.0060 1755 ASN 114 N 0.0019 0.0272 -0.0045 1756 ASN 114 CA 0.0058 0.0263 -0.0043 1757 ASN 114 C -0.0106 0.0278 -0.0049 1758 ASN 114 O -0.0095 0.0358 -0.0062 1759 ASN 114 CB 0.0153 0.0089 -0.0011 1760 ASN 114 CG 0.0321 0.0049 -0.0001 1761 ASN 114 OD1 0.0397 0.0147 -0.0016 1762 ASN 114 ND2 0.0377 -0.0121 0.0029 1763 ASN 114 H 0.0030 0.0162 -0.0027 1764 ASN 114 HA 0.0149 0.0372 -0.0059 1765 ASN 114 HB3 0.0182 0.0089 -0.0011 1766 ASN 114 HB2 0.0059 -0.0021 0.0005 1767 ASN 114 HD22 0.0489 -0.0164 0.0039 1768 ASN 114 HD21 0.0305 -0.0203 0.0041 1769 ARG 115 N 0.0059 0.0044 -0.0038 1770 ARG 115 CA 0.0068 0.0083 -0.0003 1771 ARG 115 C 0.0116 0.0049 0.0018 1772 ARG 115 O 0.0120 0.0078 0.0042 1773 ARG 115 CB 0.0081 0.0139 0.0047 1774 ARG 115 CG 0.0034 0.0183 0.0034 1775 ARG 115 CD -0.0012 0.0237 0.0028 1776 ARG 115 NE -0.0054 0.0280 0.0019 1777 ARG 115 CZ -0.0099 0.0332 0.0012 1778 ARG 115 NH1 -0.0100 0.0345 0.0021 1779 ARG 115 NH2 -0.0140 0.0366 -0.0001 1780 ARG 115 H 0.0088 0.0030 -0.0021 1781 ARG 115 HA 0.0027 0.0105 -0.0026 1782 ARG 115 HB3 0.0090 0.0169 0.0076 1783 ARG 115 HB2 0.0122 0.0119 0.0071 1784 ARG 115 HG3 0.0054 0.0205 0.0066 1785 ARG 115 HG2 0.0014 0.0154 -0.0005 1786 ARG 115 HD3 -0.0034 0.0215 -0.0007 1787 ARG 115 HD2 0.0009 0.0265 0.0067 1788 ARG 115 HE -0.0049 0.0271 0.0017 1789 ARG 115 HH12 -0.0133 0.0384 0.0017 1790 ARG 115 HH11 -0.0067 0.0317 0.0032 1791 ARG 115 HH22 -0.0174 0.0405 -0.0006 1792 ARG 115 HH21 -0.0137 0.0354 -0.0008 1793 CYS 116 N 0.0025 0.0061 -0.0033 1794 CYS 116 CA 0.0027 0.0061 -0.0035 1795 CYS 116 C 0.0033 0.0061 -0.0051 1796 CYS 116 O 0.0028 0.0063 -0.0057 1797 CYS 116 CB 0.0038 0.0057 -0.0023 1798 CYS 116 SG 0.0033 0.0056 -0.0003 1799 CYS 116 H 0.0034 0.0059 -0.0035 1800 CYS 116 HA 0.0017 0.0064 -0.0033 1801 CYS 116 HB3 0.0038 0.0057 -0.0024 1802 CYS 116 HB2 0.0049 0.0053 -0.0026 1803 GLN 117 N 0.0007 0.0148 -0.0029 1804 GLN 117 CA 0.0004 0.0018 -0.0040 1805 GLN 117 C -0.0013 0.0002 -0.0056 1806 GLN 117 O -0.0076 0.0066 -0.0104 1807 GLN 117 CB -0.0075 -0.0040 -0.0111 1808 GLN 117 CG -0.0087 -0.0175 -0.0129 1809 GLN 117 CD -0.0153 -0.0235 -0.0189 1810 GLN 117 OE1 -0.0139 -0.0355 -0.0184 1811 GLN 117 NE2 -0.0214 -0.0176 -0.0237 1812 GLN 117 H -0.0039 0.0183 -0.0066 1813 GLN 117 HA 0.0071 -0.0028 0.0013 1814 GLN 117 HB3 -0.0142 0.0010 -0.0164 1815 GLN 117 HB2 -0.0064 -0.0027 -0.0101 1816 GLN 117 HG3 -0.0018 -0.0223 -0.0074 1817 GLN 117 HG2 -0.0113 -0.0186 -0.0152 1818 GLN 117 HE22 -0.0257 -0.0217 -0.0276 1819 GLN 117 HE21 -0.0223 -0.0084 -0.0239 1820 ASN 118 N -0.0102 -0.0079 -0.0060 1821 ASN 118 CA -0.0007 -0.0060 0.0058 1822 ASN 118 C 0.0129 -0.0094 0.0020 1823 ASN 118 O 0.0237 -0.0090 0.0095 1824 ASN 118 CB 0.0023 -0.0039 0.0145 1825 ASN 118 CG -0.0109 -0.0000 0.0198 1826 ASN 118 OD1 -0.0199 0.0030 0.0248 1827 ASN 118 ND2 -0.0122 -0.0002 0.0187 1828 ASN 118 H -0.0199 -0.0065 -0.0064 1829 ASN 118 HA -0.0060 -0.0031 0.0123 1830 ASN 118 HB3 0.0096 -0.0025 0.0231 1831 ASN 118 HB2 0.0078 -0.0066 0.0084 1832 ASN 118 HD22 -0.0208 0.0023 0.0221 1833 ASN 118 HD21 -0.0045 -0.0028 0.0144 1834 ARG 119 N 0.0059 -0.0053 -0.0153 1835 ARG 119 CA 0.0109 -0.0117 -0.0187 1836 ARG 119 C 0.0144 -0.0119 -0.0271 1837 ARG 119 O 0.0126 -0.0061 -0.0310 1838 ARG 119 CB 0.0112 -0.0106 -0.0209 1839 ARG 119 CG 0.0089 -0.0116 -0.0137 1840 ARG 119 CD 0.0101 -0.0118 -0.0166 1841 ARG 119 NE 0.0064 -0.0100 -0.0100 1842 ARG 119 CZ 0.0078 -0.0143 -0.0071 1843 ARG 119 NH1 0.0124 -0.0213 -0.0087 1844 ARG 119 NH2 0.0043 -0.0115 -0.0023 1845 ARG 119 H 0.0044 0.0000 -0.0190 1846 ARG 119 HA 0.0123 -0.0172 -0.0144 1847 ARG 119 HB3 0.0151 -0.0145 -0.0251 1848 ARG 119 HB2 0.0094 -0.0048 -0.0247 1849 ARG 119 HG3 0.0048 -0.0068 -0.0104 1850 ARG 119 HG2 0.0103 -0.0170 -0.0095 1851 ARG 119 HD3 0.0139 -0.0176 -0.0177 1852 ARG 119 HD2 0.0099 -0.0075 -0.0222 1853 ARG 119 HE 0.0028 -0.0052 -0.0076 1854 ARG 119 HH12 0.0134 -0.0245 -0.0065 1855 ARG 119 HH11 0.0150 -0.0235 -0.0122 1856 ARG 119 HH22 0.0051 -0.0146 0.0000 1857 ARG 119 HH21 0.0007 -0.0062 -0.0008 1858 ASP 120 N 0.0182 0.0156 0.0095 1859 ASP 120 CA 0.0026 0.0140 0.0030 1860 ASP 120 C -0.0012 -0.0010 0.0020 1861 ASP 120 O 0.0035 -0.0129 0.0045 1862 ASP 120 CB -0.0001 0.0116 0.0019 1863 ASP 120 CG -0.0158 0.0126 -0.0047 1864 ASP 120 OD1 -0.0240 0.0113 -0.0081 1865 ASP 120 OD2 -0.0198 0.0129 -0.0064 1866 ASP 120 H 0.0243 0.0131 0.0122 1867 ASP 120 HA -0.0029 0.0238 0.0003 1868 ASP 120 HB3 0.0037 0.0005 0.0040 1869 ASP 120 HB2 0.0055 0.0205 0.0040 1870 VAL 121 N -0.0059 -0.0035 -0.0027 1871 VAL 121 CA -0.0068 -0.0061 -0.0044 1872 VAL 121 C -0.0088 -0.0062 -0.0026 1873 VAL 121 O -0.0100 -0.0083 -0.0036 1874 VAL 121 CB -0.0084 -0.0090 -0.0059 1875 VAL 121 CG1 -0.0062 -0.0093 -0.0083 1876 VAL 121 CG2 -0.0113 -0.0096 -0.0036 1877 VAL 121 H -0.0075 -0.0034 -0.0010 1878 VAL 121 HA -0.0047 -0.0058 -0.0062 1879 VAL 121 HB -0.0090 -0.0108 -0.0071 1880 VAL 121 HG11 -0.0073 -0.0114 -0.0094 1881 VAL 121 HG12 -0.0042 -0.0091 -0.0101 1882 VAL 121 HG13 -0.0053 -0.0074 -0.0073 1883 VAL 121 HG21 -0.0123 -0.0117 -0.0048 1884 VAL 121 HG22 -0.0108 -0.0078 -0.0023 1885 VAL 121 HG23 -0.0129 -0.0096 -0.0021 1886 ARG 122 N 0.0055 0.0048 0.0248 1887 ARG 122 CA -0.0022 0.0022 0.0164 1888 ARG 122 C -0.0078 -0.0092 0.0200 1889 ARG 122 O -0.0124 -0.0117 0.0158 1890 ARG 122 CB -0.0071 0.0051 0.0060 1891 ARG 122 CG -0.0153 -0.0044 0.0038 1892 ARG 122 CD -0.0223 -0.0025 -0.0083 1893 ARG 122 NE -0.0209 0.0035 -0.0125 1894 ARG 122 CZ -0.0129 0.0111 -0.0088 1895 ARG 122 NH1 -0.0073 0.0191 -0.0089 1896 ARG 122 NH2 -0.0108 0.0105 -0.0050 1897 ARG 122 H 0.0064 0.0076 0.0233 1898 ARG 122 HA 0.0003 0.0072 0.0147 1899 ARG 122 HB3 -0.0029 0.0108 0.0062 1900 ARG 122 HB2 -0.0087 0.0093 -0.0008 1901 ARG 122 HG3 -0.0179 -0.0115 0.0075 1902 ARG 122 HG2 -0.0138 -0.0058 0.0075 1903 ARG 122 HD3 -0.0220 0.0019 -0.0125 1904 ARG 122 HD2 -0.0286 -0.0102 -0.0096 1905 ARG 122 HE -0.0261 0.0019 -0.0185 1906 ARG 122 HH12 -0.0013 0.0249 -0.0060 1907 ARG 122 HH11 -0.0091 0.0194 -0.0118 1908 ARG 122 HH22 -0.0048 0.0162 -0.0021 1909 ARG 122 HH21 -0.0151 0.0044 -0.0049 1910 GLN 123 N -0.0036 -0.0115 0.0066 1911 GLN 123 CA -0.0024 -0.0049 0.0067 1912 GLN 123 C -0.0013 -0.0024 0.0074 1913 GLN 123 O 0.0015 0.0021 0.0094 1914 GLN 123 CB -0.0062 -0.0014 0.0027 1915 GLN 123 CG -0.0104 -0.0012 -0.0013 1916 GLN 123 CD -0.0144 0.0012 -0.0054 1917 GLN 123 OE1 -0.0181 -0.0020 -0.0084 1918 GLN 123 NE2 -0.0139 0.0071 -0.0057 1919 GLN 123 H -0.0066 -0.0131 0.0040 1920 GLN 123 HA 0.0007 -0.0040 0.0095 1921 GLN 123 HB3 -0.0071 -0.0035 0.0021 1922 GLN 123 HB2 -0.0048 0.0033 0.0033 1923 GLN 123 HG3 -0.0096 0.0017 -0.0009 1924 GLN 123 HG2 -0.0115 -0.0058 -0.0016 1925 GLN 123 HE22 -0.0165 0.0090 -0.0083 1926 GLN 123 HE21 -0.0110 0.0097 -0.0033 1927 TYR 124 N 0.0012 0.0001 0.0009 1928 TYR 124 CA -0.0001 -0.0001 -0.0015 1929 TYR 124 C -0.0003 -0.0005 -0.0003 1930 TYR 124 O -0.0003 -0.0001 -0.0022 1931 TYR 124 CB -0.0031 -0.0015 -0.0034 1932 TYR 124 CG -0.0028 -0.0009 -0.0051 1933 TYR 124 CD1 -0.0015 0.0006 -0.0082 1934 TYR 124 CD2 -0.0038 -0.0019 -0.0038 1935 TYR 124 CE1 -0.0013 0.0010 -0.0097 1936 TYR 124 CE2 -0.0036 -0.0013 -0.0053 1937 TYR 124 CZ -0.0023 0.0001 -0.0083 1938 TYR 124 OH -0.0020 0.0007 -0.0099 1939 TYR 124 H -0.0001 -0.0008 0.0016 1940 TYR 124 HA 0.0014 0.0013 -0.0035 1941 TYR 124 HB3 -0.0039 -0.0015 -0.0053 1942 TYR 124 HB2 -0.0047 -0.0029 -0.0016 1943 TYR 124 HD1 -0.0007 0.0014 -0.0093 1944 TYR 124 HD2 -0.0048 -0.0030 -0.0015 1945 TYR 124 HE1 -0.0005 0.0022 -0.0121 1946 TYR 124 HE2 -0.0044 -0.0021 -0.0042 1947 TYR 124 HH -0.0027 -0.0001 -0.0085 1948 VAL 125 N 0.0044 0.0040 0.0000 1949 VAL 125 CA 0.0057 0.0036 0.0023 1950 VAL 125 C 0.0117 0.0049 0.0062 1951 VAL 125 O 0.0135 0.0047 0.0085 1952 VAL 125 CB 0.0013 -0.0009 0.0056 1953 VAL 125 CG1 -0.0046 -0.0021 0.0014 1954 VAL 125 CG2 0.0012 -0.0038 0.0107 1955 VAL 125 H 0.0042 0.0023 0.0028 1956 VAL 125 HA 0.0054 0.0055 -0.0015 1957 VAL 125 HB 0.0027 -0.0010 0.0074 1958 VAL 125 HG11 -0.0077 -0.0052 0.0038 1959 VAL 125 HG12 -0.0044 -0.0000 -0.0021 1960 VAL 125 HG13 -0.0061 -0.0019 -0.0006 1961 VAL 125 HG21 -0.0019 -0.0070 0.0130 1962 VAL 125 HG22 -0.0001 -0.0036 0.0090 1963 VAL 125 HG23 0.0055 -0.0030 0.0137 1964 GLN 126 N 0.0305 0.0331 0.0101 1965 GLN 126 CA 0.0319 0.0165 -0.0064 1966 GLN 126 C 0.0347 0.0157 -0.0131 1967 GLN 126 O 0.0297 0.0174 -0.0009 1968 GLN 126 CB 0.0212 -0.0040 -0.0002 1969 GLN 126 CG 0.0110 -0.0112 0.0156 1970 GLN 126 CD 0.0038 -0.0346 0.0121 1971 GLN 126 OE1 -0.0057 -0.0450 0.0238 1972 GLN 126 NE2 0.0083 -0.0426 -0.0040 1973 GLN 126 H 0.0231 0.0303 0.0235 1974 GLN 126 HA 0.0389 0.0192 -0.0190 1975 GLN 126 HB3 0.0192 -0.0026 0.0053 1976 GLN 126 HB2 0.0229 -0.0158 -0.0133 1977 GLN 126 HG3 0.0139 -0.0041 0.0152 1978 GLN 126 HG2 0.0060 -0.0063 0.0303 1979 GLN 126 HE22 0.0039 -0.0580 -0.0071 1980 GLN 126 HE21 0.0162 -0.0333 -0.0133 1981 GLY 127 N -0.0098 0.0075 -0.0284 1982 GLY 127 CA -0.0200 0.0019 -0.0212 1983 GLY 127 C 0.0273 0.0494 0.0137 1984 GLY 127 O 0.0215 0.0495 0.0278 1985 GLY 127 H 0.0108 0.0068 -0.0805 1986 GLY 127 HA3 -0.0672 -0.0242 0.0110 1987 GLY 127 HA2 -0.0222 -0.0175 -0.0768 1988 CYS 128 N 0.0218 0.0114 0.0175 1989 CYS 128 CA 0.0173 0.0063 0.0138 1990 CYS 128 C 0.0120 0.0027 0.0200 1991 CYS 128 O 0.0085 -0.0012 0.0169 1992 CYS 128 CB 0.0141 0.0020 0.0071 1993 CYS 128 SG 0.0197 0.0053 -0.0016 1994 CYS 128 H 0.0208 0.0107 0.0185 1995 CYS 128 HA 0.0200 0.0081 0.0103 1996 CYS 128 HB3 0.0106 -0.0019 0.0045 1997 CYS 128 HB2 0.0113 0.0001 0.0103 1998 GLY 129 N -0.0430 0.0177 -0.0056 1999 GLY 129 CA 0.0011 -0.0052 0.0176 2000 GLY 129 C 0.0849 -0.0471 -0.0066 2001 GLY 129 O 0.1333 -0.0727 0.0343 2002 GLY 129 H -0.0741 0.0348 -0.0598 2003 GLY 129 HA3 -0.0045 -0.0041 0.0865 2004 GLY 129 HA2 -0.0240 0.0083 -0.0120 2005 VAL 130 N 0.0023 -0.0096 0.0062 2006 VAL 130 CA -0.0018 -0.0099 0.0069 2007 VAL 130 C -0.0028 -0.0111 0.0108 2008 VAL 130 O -0.0061 -0.0114 0.0117 2009 VAL 130 CB -0.0039 -0.0093 0.0048 2010 VAL 130 CG1 -0.0037 -0.0081 0.0008 2011 VAL 130 CG2 -0.0023 -0.0096 0.0060 2012 VAL 130 OXT -0.0001 -0.0116 0.0126 2013 VAL 130 H 0.0037 -0.0097 0.0067 2014 VAL 130 HA -0.0029 -0.0096 0.0059 2015 VAL 130 HB -0.0069 -0.0096 0.0056 2016 VAL 130 HG11 -0.0052 -0.0077 -0.0006 2017 VAL 130 HG12 -0.0050 -0.0079 0.0001 2018 VAL 130 HG13 -0.0007 -0.0078 -0.0001 2019 VAL 130 HG21 -0.0038 -0.0092 0.0045 2020 VAL 130 HG22 0.0007 -0.0094 0.0054 2021 VAL 130 HG23 -0.0028 -0.0105 0.0089