1 GLY 2 N 0.0060 0.0089 0.0027 2 GLY 2 HN 0.0066 0.0089 0.0029 3 GLY 2 CA 0.0056 0.0096 0.0026 4 GLY 2 HA1 0.0060 0.0101 0.0028 5 GLY 2 HA2 0.0052 0.0096 0.0024 6 GLY 2 C 0.0053 0.0100 0.0025 7 GLY 2 O 0.0046 0.0102 0.0022 8 GLY 2 C1 0.0057 0.0082 0.0025 9 GLY 2 O1 0.0050 0.0081 0.0022 10 GLY 2 C2 0.0061 0.0074 0.0027 11 GLY 2 H2A 0.0063 0.0071 0.0027 12 GLY 2 H2B 0.0066 0.0076 0.0029 13 GLY 2 C3 0.0056 0.0068 0.0024 14 GLY 2 H3A 0.0051 0.0067 0.0022 15 GLY 2 H3B 0.0054 0.0071 0.0024 16 GLY 2 C4 0.0060 0.0060 0.0025 17 GLY 2 H4A 0.0065 0.0061 0.0028 18 GLY 2 H4B 0.0062 0.0057 0.0026 19 GLY 2 C5 0.0055 0.0054 0.0023 20 GLY 2 H5A 0.0052 0.0050 0.0021 21 GLY 2 H5B 0.0051 0.0058 0.0021 22 GLY 2 C6 0.0059 0.0050 0.0024 23 GLY 2 H6A 0.0063 0.0044 0.0025 24 GLY 2 H6B 0.0063 0.0054 0.0026 25 GLY 2 C7 0.0053 0.0047 0.0022 26 GLY 2 H7A 0.0050 0.0042 0.0020 27 GLY 2 H7B 0.0050 0.0052 0.0020 28 GLY 2 C8 0.0057 0.0042 0.0023 29 GLY 2 H8A 0.0052 0.0040 0.0021 30 GLY 2 H8B 0.0060 0.0037 0.0024 31 GLY 2 C9 0.0062 0.0048 0.0025 32 GLY 2 H9A 0.0066 0.0050 0.0027 33 GLY 2 H9B 0.0058 0.0053 0.0024 34 GLY 2 C10 0.0066 0.0044 0.0027 35 GLY 2 H10A 0.0069 0.0049 0.0028 36 GLY 2 H10B 0.0070 0.0039 0.0028 37 GLY 2 C11 0.0060 0.0040 0.0024 38 GLY 2 H11A 0.0057 0.0035 0.0022 39 GLY 2 H11B 0.0056 0.0045 0.0022 40 GLY 2 C12 0.0064 0.0038 0.0025 41 GLY 2 H12A 0.0067 0.0043 0.0027 42 GLY 2 H12B 0.0069 0.0033 0.0027 43 GLY 2 C13 0.0059 0.0035 0.0023 44 GLY 2 H13A 0.0056 0.0029 0.0022 45 GLY 2 H13B 0.0054 0.0039 0.0021 46 GLY 2 C14 0.0063 0.0033 0.0025 47 GLY 2 H14A 0.0068 0.0029 0.0026 48 GLY 2 H14B 0.0059 0.0030 0.0023 49 GLY 2 H14C 0.0064 0.0039 0.0026 50 ASN 3 N -0.0046 0.0105 -0.0026 51 ASN 3 HN -0.0075 0.0115 -0.0031 52 ASN 3 CA -0.0017 0.0082 -0.0016 53 ASN 3 HA 0.0001 0.0061 -0.0006 54 ASN 3 CB -0.0045 0.0057 -0.0007 55 ASN 3 HB1 -0.0023 0.0039 0.0001 56 ASN 3 HB2 -0.0066 0.0077 -0.0016 57 ASN 3 CG -0.0074 0.0025 0.0005 58 ASN 3 OD1 -0.0059 -0.0009 0.0019 59 ASN 3 ND2 -0.0117 0.0034 -0.0001 60 ASN 3 HD21 -0.0136 0.0014 0.0006 61 ASN 3 HD22 -0.0126 0.0064 -0.0014 62 ASN 3 C 0.0017 0.0110 -0.0025 63 ASN 3 O 0.0018 0.0147 -0.0040 64 ARG 4 N 0.0096 0.0072 -0.0032 65 ARG 4 HN 0.0097 0.0047 -0.0049 66 ARG 4 CA 0.0097 0.0090 -0.0020 67 ARG 4 HA 0.0102 0.0117 -0.0002 68 ARG 4 CB 0.0132 0.0076 -0.0028 69 ARG 4 HB1 0.0136 0.0093 -0.0017 70 ARG 4 HB2 0.0125 0.0050 -0.0046 71 ARG 4 CG 0.0174 0.0073 -0.0029 72 ARG 4 HG1 0.0196 0.0063 -0.0035 73 ARG 4 HG2 0.0173 0.0054 -0.0042 74 ARG 4 CD 0.0190 0.0106 -0.0006 75 ARG 4 HD1 0.0169 0.0115 -0.0001 76 ARG 4 HD2 0.0193 0.0126 0.0007 77 ARG 4 NE 0.0231 0.0098 -0.0011 78 ARG 4 HE 0.0246 0.0077 -0.0024 79 ARG 4 CZ 0.0249 0.0114 0.0001 80 ARG 4 NH1 0.0232 0.0140 0.0018 81 ARG 4 HH11 0.0203 0.0145 0.0020 82 ARG 4 HH12 0.0244 0.0149 0.0025 83 ARG 4 NH2 0.0285 0.0103 -0.0005 84 ARG 4 HH21 0.0299 0.0115 0.0004 85 ARG 4 HH22 0.0298 0.0083 -0.0018 86 ARG 4 C 0.0058 0.0087 -0.0023 87 ARG 4 O 0.0050 0.0107 -0.0010 88 ALA 5 N 0.0053 0.0094 -0.0023 89 ALA 5 HN 0.0048 0.0084 -0.0024 90 ALA 5 CA 0.0046 0.0098 -0.0026 91 ALA 5 HA 0.0054 0.0108 -0.0024 92 ALA 5 CB 0.0046 0.0081 -0.0025 93 ALA 5 HB1 0.0041 0.0084 -0.0027 94 ALA 5 HB2 0.0059 0.0077 -0.0019 95 ALA 5 HB3 0.0040 0.0070 -0.0027 96 ALA 5 C 0.0029 0.0104 -0.0034 97 ALA 5 O 0.0021 0.0099 -0.0037 98 PHE 6 N 0.0004 0.0088 -0.0029 99 PHE 6 HN -0.0000 0.0094 -0.0026 100 PHE 6 CA -0.0003 0.0093 -0.0031 101 PHE 6 HA 0.0001 0.0086 -0.0036 102 PHE 6 CB -0.0003 0.0102 -0.0018 103 PHE 6 HB1 -0.0010 0.0107 -0.0020 104 PHE 6 HB2 -0.0004 0.0108 -0.0011 105 PHE 6 CG 0.0009 0.0096 -0.0011 106 PHE 6 CD1 0.0019 0.0092 -0.0003 107 PHE 6 HD1 0.0019 0.0094 -0.0002 108 PHE 6 CE1 0.0031 0.0086 0.0003 109 PHE 6 HE1 0.0039 0.0083 0.0009 110 PHE 6 CZ 0.0032 0.0083 0.0001 111 PHE 6 HZ 0.0041 0.0078 0.0005 112 PHE 6 CD2 0.0010 0.0094 -0.0012 113 PHE 6 HD2 0.0003 0.0097 -0.0018 114 PHE 6 CE2 0.0022 0.0087 -0.0006 115 PHE 6 HE2 0.0023 0.0086 -0.0008 116 PHE 6 C -0.0016 0.0097 -0.0041 117 PHE 6 O -0.0022 0.0102 -0.0043 118 LYS 7 N -0.0061 0.0121 -0.0034 119 LYS 7 HN -0.0061 0.0112 -0.0036 120 LYS 7 CA -0.0061 0.0129 -0.0045 121 LYS 7 HA -0.0060 0.0139 -0.0041 122 LYS 7 CB -0.0061 0.0123 -0.0053 123 LYS 7 HB1 -0.0061 0.0122 -0.0046 124 LYS 7 HB2 -0.0061 0.0130 -0.0062 125 LYS 7 CG -0.0062 0.0108 -0.0059 126 LYS 7 HG1 -0.0062 0.0108 -0.0064 127 LYS 7 HG2 -0.0062 0.0101 -0.0051 128 LYS 7 CD -0.0062 0.0104 -0.0071 129 LYS 7 HD1 -0.0062 0.0102 -0.0066 130 LYS 7 HD2 -0.0061 0.0113 -0.0078 131 LYS 7 CE -0.0063 0.0092 -0.0080 132 LYS 7 HE1 -0.0063 0.0092 -0.0089 133 LYS 7 HE2 -0.0062 0.0094 -0.0083 134 LYS 7 NZ -0.0063 0.0079 -0.0073 135 LYS 7 HZ1 -0.0063 0.0075 -0.0072 136 LYS 7 HZ2 -0.0063 0.0079 -0.0063 137 LYS 7 HZ3 -0.0064 0.0072 -0.0078 138 LYS 7 C -0.0060 0.0133 -0.0055 139 LYS 7 O -0.0061 0.0126 -0.0056 140 SER 8 N -0.0069 0.0113 -0.0043 141 SER 8 HN -0.0075 0.0117 -0.0052 142 SER 8 CA -0.0069 0.0101 -0.0026 143 SER 8 HA -0.0058 0.0101 -0.0017 144 SER 8 CB -0.0087 0.0088 -0.0023 145 SER 8 HB1 -0.0090 0.0087 -0.0025 146 SER 8 HB2 -0.0086 0.0079 -0.0010 147 SER 8 OG -0.0101 0.0088 -0.0035 148 SER 8 HG1 -0.0102 0.0095 -0.0046 149 SER 8 C -0.0064 0.0103 -0.0024 150 SER 8 O -0.0065 0.0112 -0.0037 151 HIS 9 N -0.0071 0.0081 0.0023 152 HIS 9 HN -0.0070 0.0074 0.0037 153 HIS 9 CA -0.0067 0.0079 0.0031 154 HIS 9 HA -0.0060 0.0073 0.0052 155 HIS 9 CB -0.0091 0.0064 0.0026 156 HIS 9 HB1 -0.0088 0.0063 0.0033 157 HIS 9 HB2 -0.0101 0.0069 0.0005 158 HIS 9 CD2 -0.0125 0.0034 0.0032 159 HIS 9 HD2 -0.0136 0.0037 0.0013 160 HIS 9 CG -0.0105 0.0045 0.0040 161 HIS 9 NE2 -0.0129 0.0018 0.0054 162 HIS 9 HE2 -0.0142 0.0007 0.0055 163 HIS 9 ND1 -0.0097 0.0036 0.0066 164 HIS 9 HD1 -0.0083 0.0040 0.0077 165 HIS 9 CE1 -0.0112 0.0020 0.0074 166 HIS 9 HE1 -0.0111 0.0009 0.0094 167 HIS 9 C -0.0049 0.0099 0.0023 168 HIS 9 O -0.0028 0.0110 0.0031 169 HIS 10 N -0.0012 0.0142 -0.0014 170 HIS 10 HN -0.0069 0.0142 -0.0021 171 HIS 10 CA 0.0043 0.0194 -0.0063 172 HIS 10 HA 0.0108 0.0185 -0.0046 173 HIS 10 CB 0.0031 0.0221 -0.0093 174 HIS 10 HB1 0.0076 0.0259 -0.0128 175 HIS 10 HB2 -0.0033 0.0235 -0.0115 176 HIS 10 CD2 -0.0011 0.0159 -0.0033 177 HIS 10 HD2 -0.0078 0.0163 -0.0045 178 HIS 10 CG 0.0043 0.0180 -0.0048 179 HIS 10 NE2 0.0036 0.0132 0.0002 180 HIS 10 HE2 0.0015 0.0113 0.0019 181 HIS 10 ND1 0.0123 0.0167 -0.0025 182 HIS 10 HD1 0.0176 0.0177 -0.0030 183 HIS 10 CE1 0.0116 0.0138 0.0005 184 HIS 10 HE1 0.0169 0.0121 0.0029 185 HIS 10 C 0.0023 0.0241 -0.0115 186 HIS 10 O 0.0055 0.0291 -0.0164 187 GLY 11 N -0.0056 0.0177 -0.0085 188 GLY 11 HN -0.0066 0.0155 -0.0073 189 GLY 11 CA -0.0073 0.0198 -0.0093 190 GLY 11 HA1 -0.0059 0.0221 -0.0107 191 GLY 11 HA2 -0.0071 0.0183 -0.0086 192 GLY 11 C -0.0113 0.0208 -0.0093 193 GLY 11 O -0.0130 0.0224 -0.0099 194 HIS 12 N -0.0105 0.0163 -0.0098 195 HIS 12 HN -0.0105 0.0156 -0.0083 196 HIS 12 CA -0.0126 0.0155 -0.0109 197 HIS 12 HA -0.0130 0.0161 -0.0128 198 HIS 12 CB -0.0146 0.0138 -0.0097 199 HIS 12 HB1 -0.0162 0.0132 -0.0104 200 HIS 12 HB2 -0.0142 0.0132 -0.0077 201 HIS 12 CD2 -0.0176 0.0125 -0.0108 202 HIS 12 HD2 -0.0192 0.0116 -0.0109 203 HIS 12 CG -0.0154 0.0135 -0.0103 204 HIS 12 NE2 -0.0174 0.0128 -0.0112 205 HIS 12 HE2 -0.0187 0.0122 -0.0116 206 HIS 12 ND1 -0.0139 0.0145 -0.0103 207 HIS 12 HD1 -0.0122 0.0153 -0.0099 208 HIS 12 CE1 -0.0152 0.0140 -0.0109 209 HIS 12 HE1 -0.0145 0.0145 -0.0112 210 HIS 12 C -0.0125 0.0155 -0.0108 211 HIS 12 O -0.0113 0.0155 -0.0091 212 PHE 13 N -0.0126 0.0155 -0.0095 213 PHE 13 HN -0.0123 0.0157 -0.0092 214 PHE 13 CA -0.0142 0.0156 -0.0107 215 PHE 13 HA -0.0145 0.0159 -0.0108 216 PHE 13 CB -0.0153 0.0169 -0.0108 217 PHE 13 HB1 -0.0165 0.0171 -0.0116 218 PHE 13 HB2 -0.0151 0.0165 -0.0109 219 PHE 13 CG -0.0150 0.0185 -0.0095 220 PHE 13 CD1 -0.0152 0.0193 -0.0091 221 PHE 13 HD1 -0.0156 0.0188 -0.0098 222 PHE 13 CE1 -0.0149 0.0208 -0.0079 223 PHE 13 HE1 -0.0151 0.0214 -0.0076 224 PHE 13 CZ -0.0144 0.0214 -0.0070 225 PHE 13 HZ -0.0141 0.0225 -0.0061 226 PHE 13 CD2 -0.0145 0.0192 -0.0086 227 PHE 13 HD2 -0.0143 0.0185 -0.0089 228 PHE 13 CE2 -0.0142 0.0206 -0.0074 229 PHE 13 HE2 -0.0137 0.0211 -0.0067 230 PHE 13 C -0.0144 0.0139 -0.0120 231 PHE 13 O -0.0136 0.0130 -0.0120 232 LEU 14 N -0.0025 0.0097 -0.0078 233 LEU 14 HN -0.0012 0.0099 -0.0078 234 LEU 14 CA -0.0035 0.0094 -0.0067 235 LEU 14 HA -0.0047 0.0092 -0.0064 236 LEU 14 CB -0.0025 0.0091 -0.0050 237 LEU 14 HB1 -0.0033 0.0089 -0.0042 238 LEU 14 HB2 -0.0013 0.0093 -0.0053 239 LEU 14 CG -0.0020 0.0090 -0.0040 240 LEU 14 HG -0.0010 0.0093 -0.0048 241 LEU 14 CD1 -0.0011 0.0087 -0.0023 242 LEU 14 HD11 -0.0020 0.0084 -0.0015 243 LEU 14 HD12 -0.0007 0.0086 -0.0016 244 LEU 14 HD13 0.0001 0.0089 -0.0025 245 LEU 14 CD2 -0.0035 0.0087 -0.0037 246 LEU 14 HD21 -0.0040 0.0089 -0.0049 247 LEU 14 HD22 -0.0031 0.0086 -0.0029 248 LEU 14 HD23 -0.0045 0.0085 -0.0030 249 LEU 14 C -0.0040 0.0095 -0.0077 250 LEU 14 O -0.0029 0.0098 -0.0085 251 SER 15 N 0.0010 0.0117 -0.0117 252 SER 15 HN 0.0003 0.0109 -0.0109 253 SER 15 CA 0.0012 0.0113 -0.0136 254 SER 15 HA 0.0020 0.0123 -0.0143 255 SER 15 CB 0.0008 0.0103 -0.0144 256 SER 15 HB1 0.0009 0.0098 -0.0158 257 SER 15 HB2 0.0000 0.0093 -0.0136 258 SER 15 OG 0.0014 0.0113 -0.0143 259 SER 15 HG1 0.0016 0.0121 -0.0132 260 SER 15 C 0.0008 0.0103 -0.0142 261 SER 15 O 0.0000 0.0095 -0.0132 262 ALA 16 N 0.0118 0.0076 -0.0132 263 ALA 16 HN 0.0135 0.0077 -0.0146 264 ALA 16 CA 0.0104 0.0075 -0.0121 265 ALA 16 HA 0.0089 0.0075 -0.0104 266 ALA 16 CB 0.0127 0.0081 -0.0108 267 ALA 16 HB1 0.0139 0.0086 -0.0091 268 ALA 16 HB2 0.0143 0.0082 -0.0125 269 ALA 16 HB3 0.0118 0.0081 -0.0098 270 ALA 16 C 0.0088 0.0069 -0.0144 271 ALA 16 O 0.0099 0.0067 -0.0168 272 GLU 17 N 0.0079 0.0041 -0.0189 273 GLU 17 HN 0.0057 0.0055 -0.0145 274 GLU 17 CA 0.0041 0.0027 -0.0227 275 GLU 17 HA 0.0076 0.0016 -0.0262 276 GLU 17 CB -0.0022 0.0013 -0.0265 277 GLU 17 HB1 -0.0059 0.0008 -0.0277 278 GLU 17 HB2 -0.0050 0.0024 -0.0231 279 GLU 17 CG -0.0007 -0.0009 -0.0331 280 GLU 17 HG1 0.0028 -0.0005 -0.0323 281 GLU 17 HG2 0.0019 -0.0020 -0.0366 282 GLU 17 CD -0.0075 -0.0020 -0.0361 283 GLU 17 OE1 -0.0077 -0.0030 -0.0389 284 GLU 17 OE2 -0.0130 -0.0018 -0.0349 285 GLU 17 C 0.0011 0.0042 -0.0183 286 GLU 17 O -0.0026 0.0057 -0.0135 287 GLY 18 N 0.0017 0.0034 -0.0226 288 GLY 18 HN 0.0035 0.0033 -0.0254 289 GLY 18 CA -0.0019 0.0037 -0.0192 290 GLY 18 HA1 -0.0058 0.0043 -0.0199 291 GLY 18 HA2 -0.0016 0.0038 -0.0202 292 GLY 18 C -0.0008 0.0033 -0.0134 293 GLY 18 O 0.0028 0.0028 -0.0114 294 GLU 19 N -0.0014 0.0054 -0.0138 295 GLU 19 HN -0.0040 0.0062 -0.0156 296 GLU 19 CA -0.0012 0.0042 -0.0082 297 GLU 19 HA 0.0010 0.0035 -0.0064 298 GLU 19 CB -0.0069 0.0044 -0.0057 299 GLU 19 HB1 -0.0066 0.0034 -0.0015 300 GLU 19 HB2 -0.0091 0.0051 -0.0075 301 GLU 19 CG -0.0101 0.0050 -0.0062 302 GLU 19 HG1 -0.0106 0.0059 -0.0104 303 GLU 19 HG2 -0.0080 0.0042 -0.0042 304 GLU 19 CD -0.0156 0.0052 -0.0036 305 GLU 19 OE1 -0.0160 0.0043 0.0007 306 GLU 19 OE2 -0.0194 0.0062 -0.0058 307 GLU 19 C 0.0016 0.0035 -0.0069 308 GLU 19 O 0.0014 0.0025 -0.0024 309 ALA 20 N 0.0022 0.0041 -0.0085 310 ALA 20 HN 0.0024 0.0044 -0.0104 311 ALA 20 CA 0.0031 0.0039 -0.0078 312 ALA 20 HA 0.0037 0.0035 -0.0057 313 ALA 20 CB 0.0009 0.0040 -0.0080 314 ALA 20 HB1 0.0016 0.0038 -0.0073 315 ALA 20 HB2 -0.0008 0.0038 -0.0069 316 ALA 20 HB3 0.0004 0.0044 -0.0101 317 ALA 20 C 0.0056 0.0041 -0.0092 318 ALA 20 O 0.0064 0.0045 -0.0111 319 VAL 21 N 0.0052 0.0039 -0.0052 320 VAL 21 HN 0.0044 0.0044 -0.0040 321 VAL 21 CA 0.0060 0.0038 -0.0058 322 VAL 21 HA 0.0068 0.0033 -0.0072 323 VAL 21 CB 0.0075 0.0046 -0.0045 324 VAL 21 HB 0.0066 0.0051 -0.0032 325 VAL 21 CG1 0.0085 0.0044 -0.0053 326 VAL 21 HG11 0.0074 0.0041 -0.0055 327 VAL 21 HG12 0.0094 0.0039 -0.0065 328 VAL 21 HG13 0.0096 0.0050 -0.0043 329 VAL 21 CG2 0.0090 0.0050 -0.0041 330 VAL 21 HG21 0.0102 0.0056 -0.0032 331 VAL 21 HG22 0.0098 0.0045 -0.0054 332 VAL 21 HG23 0.0084 0.0052 -0.0034 333 VAL 21 C 0.0043 0.0035 -0.0060 334 VAL 21 O 0.0030 0.0038 -0.0048 335 LYS 22 N -0.0005 0.0053 -0.0121 336 LYS 22 HN 0.0017 0.0061 -0.0146 337 LYS 22 CA -0.0031 0.0039 -0.0112 338 LYS 22 HA -0.0047 0.0037 -0.0079 339 LYS 22 CB -0.0060 0.0012 -0.0147 340 LYS 22 HB1 -0.0074 0.0003 -0.0146 341 LYS 22 HB2 -0.0082 -0.0000 -0.0137 342 LYS 22 CG -0.0040 0.0012 -0.0194 343 LYS 22 HG1 -0.0038 0.0011 -0.0200 344 LYS 22 HG2 -0.0009 0.0031 -0.0197 345 LYS 22 CD -0.0058 -0.0009 -0.0231 346 LYS 22 HD1 -0.0037 -0.0004 -0.0262 347 LYS 22 HD2 -0.0059 -0.0008 -0.0225 348 LYS 22 CE -0.0098 -0.0037 -0.0238 349 LYS 22 HE1 -0.0120 -0.0043 -0.0210 350 LYS 22 HE2 -0.0098 -0.0037 -0.0240 351 LYS 22 NZ -0.0109 -0.0054 -0.0279 352 LYS 22 HZ1 -0.0133 -0.0072 -0.0289 353 LYS 22 HZ2 -0.0111 -0.0056 -0.0280 354 LYS 22 HZ3 -0.0086 -0.0046 -0.0304 355 LYS 22 C -0.0008 0.0054 -0.0112 356 LYS 22 O 0.0025 0.0070 -0.0131 357 THR 23 N -0.0104 0.0026 -0.0121 358 THR 23 HN -0.0117 0.0016 -0.0111 359 THR 23 CA -0.0102 0.0032 -0.0116 360 THR 23 HA -0.0087 0.0048 -0.0120 361 THR 23 CB -0.0116 0.0035 -0.0087 362 THR 23 HB -0.0132 0.0018 -0.0082 363 THR 23 OG1 -0.0111 0.0053 -0.0070 364 THR 23 HG1 -0.0121 0.0052 -0.0052 365 THR 23 CG2 -0.0113 0.0042 -0.0081 366 THR 23 HG21 -0.0122 0.0045 -0.0060 367 THR 23 HG22 -0.0119 0.0027 -0.0092 368 THR 23 HG23 -0.0097 0.0057 -0.0087 369 THR 23 C -0.0108 0.0012 -0.0133 370 THR 23 O -0.0122 -0.0008 -0.0138 371 HIS 24 N -0.0126 0.0087 -0.0163 372 HIS 24 HN -0.0124 0.0106 -0.0162 373 HIS 24 CA -0.0127 0.0081 -0.0168 374 HIS 24 HA -0.0129 0.0060 -0.0163 375 HIS 24 CB -0.0127 0.0085 -0.0197 376 HIS 24 HB1 -0.0125 0.0105 -0.0203 377 HIS 24 HB2 -0.0128 0.0072 -0.0209 378 HIS 24 CD2 -0.0126 0.0090 -0.0225 379 HIS 24 HD2 -0.0125 0.0106 -0.0238 380 HIS 24 CG -0.0127 0.0078 -0.0206 381 HIS 24 NE2 -0.0128 0.0075 -0.0226 382 HIS 24 HE2 -0.0128 0.0077 -0.0239 383 HIS 24 ND1 -0.0129 0.0057 -0.0195 384 HIS 24 HD1 -0.0130 0.0045 -0.0181 385 HIS 24 CE1 -0.0129 0.0056 -0.0208 386 HIS 24 HE1 -0.0131 0.0041 -0.0205 387 HIS 24 C -0.0125 0.0097 -0.0151 388 HIS 24 O -0.0123 0.0120 -0.0147 389 HIS 25 N -0.0185 0.0114 -0.0169 390 HIS 25 HN -0.0164 0.0078 -0.0172 391 HIS 25 CA -0.0194 0.0141 -0.0112 392 HIS 25 HA -0.0205 0.0162 -0.0099 393 HIS 25 CB -0.0164 0.0106 -0.0064 394 HIS 25 HB1 -0.0148 0.0082 -0.0057 395 HIS 25 HB2 -0.0171 0.0127 -0.0022 396 HIS 25 CD2 -0.0142 0.0071 -0.0064 397 HIS 25 HD2 -0.0156 0.0100 -0.0038 398 HIS 25 CG -0.0144 0.0070 -0.0080 399 HIS 25 NE2 -0.0118 0.0027 -0.0089 400 HIS 25 HE2 -0.0112 0.0017 -0.0087 401 HIS 25 ND1 -0.0121 0.0026 -0.0114 402 HIS 25 HD1 -0.0117 0.0014 -0.0131 403 HIS 25 CE1 -0.0106 0.0001 -0.0119 404 HIS 25 HE1 -0.0087 -0.0035 -0.0143 405 HIS 25 C -0.0218 0.0180 -0.0113 406 HIS 25 O -0.0236 0.0217 -0.0077 407 GLY 26 N -0.0216 0.0200 -0.0153 408 GLY 26 HN -0.0177 0.0164 -0.0198 409 GLY 26 CA -0.0234 0.0230 -0.0162 410 GLY 26 HA1 -0.0277 0.0295 -0.0170 411 GLY 26 HA2 -0.0202 0.0209 -0.0223 412 GLY 26 C -0.0238 0.0201 -0.0080 413 GLY 26 O -0.0210 0.0137 -0.0026 414 HIS 27 N -0.0350 0.0258 0.0026 415 HIS 27 HN -0.0389 0.0354 -0.0060 416 HIS 27 CA -0.0367 0.0240 0.0139 417 HIS 27 HA -0.0445 0.0358 0.0161 418 HIS 27 CB -0.0352 0.0142 0.0326 419 HIS 27 HB1 -0.0371 0.0142 0.0400 420 HIS 27 HB2 -0.0273 0.0018 0.0313 421 HIS 27 CD2 -0.0401 0.0150 0.0504 422 HIS 27 HD2 -0.0328 0.0037 0.0492 423 HIS 27 CG -0.0422 0.0211 0.0435 424 HIS 27 NE2 -0.0493 0.0266 0.0588 425 HIS 27 HE2 -0.0505 0.0262 0.0645 426 HIS 27 ND1 -0.0525 0.0362 0.0478 427 HIS 27 HD1 -0.0562 0.0433 0.0446 428 HIS 27 CE1 -0.0565 0.0390 0.0570 429 HIS 27 HE1 -0.0647 0.0501 0.0621 430 HIS 27 C -0.0301 0.0179 0.0025 431 HIS 27 O -0.0214 0.0072 -0.0062 432 HIS 28 N -0.0372 0.0203 0.0215 433 HIS 28 HN -0.0472 0.0287 0.0293 434 HIS 28 CA -0.0294 0.0161 0.0109 435 HIS 28 HA -0.0371 0.0237 0.0142 436 HIS 28 CB -0.0177 -0.0017 0.0186 437 HIS 28 HB1 -0.0229 -0.0028 0.0340 438 HIS 28 HB2 -0.0128 -0.0034 0.0100 439 HIS 28 CD2 -0.0024 -0.0278 0.0347 440 HIS 28 HD2 -0.0075 -0.0292 0.0503 441 HIS 28 CG -0.0061 -0.0159 0.0189 442 HIS 28 NE2 0.0095 -0.0393 0.0288 443 HIS 28 HE2 0.0144 -0.0493 0.0375 444 HIS 28 ND1 0.0041 -0.0202 0.0028 445 HIS 28 HD1 0.0047 -0.0142 -0.0113 446 HIS 28 CE1 0.0129 -0.0342 0.0095 447 HIS 28 HE1 0.0215 -0.0398 -0.0001 448 HIS 28 C -0.0242 0.0206 -0.0116 449 HIS 28 O -0.0232 0.0239 -0.0208 450 ASP 29 N -0.0202 0.0254 -0.0211 451 ASP 29 HN -0.0201 0.0239 -0.0185 452 ASP 29 CA -0.0176 0.0272 -0.0295 453 ASP 29 HA -0.0140 0.0245 -0.0310 454 ASP 29 CB -0.0145 0.0258 -0.0326 455 ASP 29 HB1 -0.0124 0.0271 -0.0391 456 ASP 29 HB2 -0.0180 0.0282 -0.0307 457 ASP 29 CG -0.0090 0.0189 -0.0293 458 ASP 29 OD1 -0.0071 0.0172 -0.0297 459 ASP 29 OD2 -0.0066 0.0152 -0.0267 460 ASP 29 C -0.0226 0.0340 -0.0335 461 ASP 29 O -0.0281 0.0381 -0.0311 462 HIS 30 N 0.0001 0.0220 -0.0112 463 HIS 30 HN 0.0114 0.0242 -0.0060 464 HIS 30 CA -0.0071 0.0201 -0.0139 465 HIS 30 HA -0.0195 0.0143 -0.0150 466 HIS 30 CB 0.0001 0.0151 -0.0020 467 HIS 30 HB1 -0.0060 0.0133 -0.0041 468 HIS 30 HB2 0.0126 0.0212 -0.0012 469 HIS 30 CD2 0.0110 0.0013 0.0239 470 HIS 30 HD2 0.0235 0.0066 0.0258 471 HIS 30 CG -0.0007 0.0039 0.0122 472 HIS 30 NE2 0.0037 -0.0102 0.0340 473 HIS 30 HE2 0.0089 -0.0148 0.0437 474 HIS 30 ND1 -0.0150 -0.0057 0.0146 475 HIS 30 HD1 -0.0256 -0.0062 0.0079 476 HIS 30 CE1 -0.0119 -0.0139 0.0278 477 HIS 30 HE1 -0.0208 -0.0227 0.0332 478 HIS 30 C -0.0052 0.0316 -0.0276 479 HIS 30 O 0.0068 0.0407 -0.0311 480 HIS 31 N 0.0019 0.0113 -0.0073 481 HIS 31 HN 0.0009 0.0104 -0.0069 482 HIS 31 CA 0.0011 0.0139 -0.0084 483 HIS 31 HA 0.0009 0.0141 -0.0085 484 HIS 31 CB -0.0018 0.0144 -0.0086 485 HIS 31 HB1 -0.0024 0.0164 -0.0095 486 HIS 31 HB2 -0.0018 0.0139 -0.0084 487 HIS 31 CD2 -0.0050 0.0106 -0.0070 488 HIS 31 HD2 -0.0043 0.0091 -0.0064 489 HIS 31 CG -0.0040 0.0129 -0.0080 490 HIS 31 NE2 -0.0072 0.0103 -0.0069 491 HIS 31 HE2 -0.0083 0.0087 -0.0062 492 HIS 31 ND1 -0.0056 0.0141 -0.0086 493 HIS 31 HD1 -0.0054 0.0159 -0.0093 494 HIS 31 CE1 -0.0075 0.0125 -0.0079 495 HIS 31 HE1 -0.0091 0.0128 -0.0080 496 HIS 31 C 0.0030 0.0160 -0.0093 497 HIS 31 O 0.0045 0.0157 -0.0091 498 THR 32 N 0.0081 0.0097 -0.0100 499 THR 32 HN 0.0074 0.0098 -0.0100 500 THR 32 CA 0.0086 0.0101 -0.0089 501 THR 32 HA 0.0089 0.0101 -0.0091 502 THR 32 CB 0.0077 0.0106 -0.0081 503 THR 32 HB 0.0073 0.0107 -0.0079 504 THR 32 OG1 0.0067 0.0105 -0.0084 505 THR 32 HG1 0.0067 0.0102 -0.0092 506 THR 32 CG2 0.0082 0.0110 -0.0070 507 THR 32 HG21 0.0074 0.0114 -0.0063 508 THR 32 HG22 0.0089 0.0111 -0.0066 509 THR 32 HG23 0.0085 0.0110 -0.0071 510 THR 32 C 0.0097 0.0102 -0.0086 511 THR 32 O 0.0096 0.0103 -0.0085 512 HIS 33 N 0.0132 0.0093 -0.0037 513 HIS 33 HN 0.0143 0.0090 -0.0038 514 HIS 33 CA 0.0134 0.0101 -0.0035 515 HIS 33 HA 0.0121 0.0101 -0.0035 516 HIS 33 CB 0.0148 0.0093 -0.0037 517 HIS 33 HB1 0.0150 0.0100 -0.0036 518 HIS 33 HB2 0.0161 0.0093 -0.0038 519 HIS 33 CD2 0.0129 0.0064 -0.0042 520 HIS 33 HD2 0.0117 0.0067 -0.0041 521 HIS 33 CG 0.0143 0.0074 -0.0041 522 HIS 33 NE2 0.0132 0.0047 -0.0045 523 HIS 33 HE2 0.0125 0.0037 -0.0047 524 HIS 33 ND1 0.0156 0.0064 -0.0043 525 HIS 33 HD1 0.0168 0.0068 -0.0043 526 HIS 33 CE1 0.0149 0.0048 -0.0046 527 HIS 33 HE1 0.0155 0.0037 -0.0048 528 HIS 33 C 0.0139 0.0120 -0.0032 529 HIS 33 O 0.0152 0.0124 -0.0032 530 PHE 34 N 0.0131 0.0069 -0.0013 531 PHE 34 HN 0.0128 0.0066 -0.0018 532 PHE 34 CA 0.0132 0.0077 -0.0006 533 PHE 34 HA 0.0132 0.0081 -0.0002 534 PHE 34 CB 0.0123 0.0083 -0.0006 535 PHE 34 HB1 0.0124 0.0089 -0.0000 536 PHE 34 HB2 0.0122 0.0079 -0.0010 537 PHE 34 CG 0.0113 0.0086 -0.0009 538 PHE 34 CD1 0.0112 0.0092 -0.0004 539 PHE 34 HD1 0.0118 0.0095 0.0001 540 PHE 34 CE1 0.0103 0.0095 -0.0007 541 PHE 34 HE1 0.0102 0.0100 -0.0003 542 PHE 34 CZ 0.0096 0.0092 -0.0015 543 PHE 34 HZ 0.0089 0.0094 -0.0017 544 PHE 34 CD2 0.0106 0.0082 -0.0017 545 PHE 34 HD2 0.0107 0.0077 -0.0020 546 PHE 34 CE2 0.0097 0.0085 -0.0019 547 PHE 34 HE2 0.0091 0.0083 -0.0025 548 PHE 34 C 0.0141 0.0076 -0.0001 549 PHE 34 O 0.0144 0.0071 -0.0004 550 HIS 35 N 0.0152 0.0061 0.0047 551 HIS 35 HN 0.0131 0.0061 0.0051 552 HIS 35 CA 0.0168 0.0055 0.0059 553 HIS 35 HA 0.0190 0.0056 0.0053 554 HIS 35 CB 0.0156 0.0059 0.0051 555 HIS 35 HB1 0.0166 0.0053 0.0063 556 HIS 35 HB2 0.0133 0.0059 0.0055 557 HIS 35 CD2 0.0146 0.0080 0.0000 558 HIS 35 HD2 0.0126 0.0082 -0.0000 559 HIS 35 CG 0.0162 0.0070 0.0022 560 HIS 35 NE2 0.0159 0.0088 -0.0023 561 HIS 35 HE2 0.0152 0.0096 -0.0042 562 HIS 35 ND1 0.0185 0.0072 0.0011 563 HIS 35 HD1 0.0200 0.0067 0.0022 564 HIS 35 CE1 0.0182 0.0083 -0.0015 565 HIS 35 HE1 0.0197 0.0088 -0.0029 566 HIS 35 C 0.0167 0.0043 0.0089 567 HIS 35 O 0.0144 0.0039 0.0102 568 VAL 36 N 0.0072 0.0029 0.0127 569 VAL 36 HN 0.0071 0.0023 0.0126 570 VAL 36 CA 0.0072 0.0006 0.0116 571 VAL 36 HA 0.0081 0.0015 0.0111 572 VAL 36 CB 0.0083 -0.0016 0.0094 573 VAL 36 HB 0.0074 -0.0026 0.0100 574 VAL 36 CG1 0.0082 -0.0041 0.0083 575 VAL 36 HG11 0.0065 -0.0056 0.0096 576 VAL 36 HG12 0.0090 -0.0032 0.0079 577 VAL 36 HG13 0.0091 -0.0055 0.0067 578 VAL 36 CG2 0.0107 0.0001 0.0076 579 VAL 36 HG21 0.0116 0.0010 0.0069 580 VAL 36 HG22 0.0108 0.0020 0.0083 581 VAL 36 HG23 0.0114 -0.0014 0.0060 582 VAL 36 C 0.0049 -0.0011 0.0135 583 VAL 36 O 0.0035 -0.0021 0.0146 584 GLU 37 N 0.0012 -0.0119 0.0209 585 GLU 37 HN 0.0048 -0.0101 0.0188 586 GLU 37 CA -0.0012 -0.0132 0.0219 587 GLU 37 HA -0.0049 -0.0150 0.0244 588 GLU 37 CB 0.0022 -0.0105 0.0254 589 GLU 37 HB1 0.0060 -0.0087 0.0227 590 GLU 37 HB2 0.0032 -0.0092 0.0293 591 GLU 37 CG -0.0003 -0.0117 0.0275 592 GLU 37 HG1 -0.0041 -0.0135 0.0299 593 GLU 37 HG2 -0.0009 -0.0126 0.0237 594 GLU 37 CD 0.0030 -0.0089 0.0317 595 GLU 37 OE1 0.0070 -0.0068 0.0297 596 GLU 37 OE2 0.0017 -0.0087 0.0372 597 GLU 37 C -0.0021 -0.0148 0.0160 598 GLU 37 O 0.0012 -0.0135 0.0118 599 ASN 38 N -0.0278 -0.0323 0.0286 600 ASN 38 HN -0.0355 -0.0412 0.0448 601 ASN 38 CA -0.0329 -0.0318 0.0055 602 ASN 38 HA -0.0302 -0.0265 -0.0124 603 ASN 38 CB -0.0577 -0.0500 0.0010 604 ASN 38 HB1 -0.0671 -0.0557 -0.0072 605 ASN 38 HB2 -0.0606 -0.0494 -0.0143 606 ASN 38 CG -0.0664 -0.0616 0.0271 607 ASN 38 OD1 -0.0601 -0.0589 0.0386 608 ASN 38 ND2 -0.0821 -0.0754 0.0368 609 ASN 38 HD21 -0.0880 -0.0830 0.0535 610 ASN 38 HD22 -0.0879 -0.0780 0.0267 611 ASN 38 C -0.0176 -0.0201 0.0049 612 ASN 38 O -0.0092 -0.0175 0.0257 613 HIS 39 N -0.0179 -0.0156 -0.0045 614 HIS 39 HN -0.0216 -0.0157 -0.0085 615 HIS 39 CA -0.0096 -0.0127 -0.0108 616 HIS 39 HA -0.0098 -0.0131 -0.0090 617 HIS 39 CB 0.0022 -0.0108 -0.0081 618 HIS 39 HB1 0.0080 -0.0084 -0.0143 619 HIS 39 HB2 0.0020 -0.0108 -0.0081 620 HIS 39 CD2 0.0072 -0.0137 0.0129 621 HIS 39 HD2 0.0035 -0.0149 0.0155 622 HIS 39 CG 0.0069 -0.0119 0.0029 623 HIS 39 NE2 0.0129 -0.0138 0.0199 624 HIS 39 HE2 0.0136 -0.0152 0.0283 625 HIS 39 ND1 0.0126 -0.0108 0.0034 626 HIS 39 HD1 0.0139 -0.0094 -0.0028 627 HIS 39 CE1 0.0159 -0.0120 0.0138 628 HIS 39 HE1 0.0205 -0.0117 0.0172 629 HIS 39 C -0.0124 -0.0110 -0.0232 630 HIS 39 O -0.0053 -0.0083 -0.0299 631 GLY 40 N -0.0444 0.0085 -0.0537 632 GLY 40 HN -0.0569 0.0073 -0.0425 633 GLY 40 CA -0.0538 0.0169 -0.0758 634 GLY 40 HA1 -0.0388 0.0186 -0.0898 635 GLY 40 HA2 -0.0693 0.0214 -0.0813 636 GLY 40 C -0.0643 0.0173 -0.0708 637 GLY 40 O -0.0768 0.0137 -0.0521 638 GLY 41 N -0.0557 0.0095 -0.0616 639 GLY 41 HN -0.0505 0.0045 -0.0780 640 GLY 41 CA -0.0525 0.0095 -0.0546 641 GLY 41 HA1 -0.0463 0.0043 -0.0701 642 GLY 41 HA2 -0.0690 0.0168 -0.0495 643 GLY 41 C -0.0354 0.0068 -0.0329 644 GLY 41 O -0.0364 0.0091 -0.0219 645 LYS 42 N -0.0073 -0.0088 -0.0160 646 LYS 42 HN -0.0062 -0.0090 -0.0180 647 LYS 42 CA -0.0042 -0.0107 -0.0110 648 LYS 42 HA -0.0065 -0.0101 -0.0083 649 LYS 42 CB 0.0013 -0.0127 -0.0128 650 LYS 42 HB1 0.0039 -0.0143 -0.0091 651 LYS 42 HB2 0.0032 -0.0131 -0.0165 652 LYS 42 CG 0.0008 -0.0124 -0.0144 653 LYS 42 HG1 -0.0018 -0.0108 -0.0181 654 LYS 42 HG2 -0.0014 -0.0119 -0.0107 655 LYS 42 CD 0.0062 -0.0145 -0.0155 656 LYS 42 HD1 0.0055 -0.0142 -0.0156 657 LYS 42 HD2 0.0087 -0.0159 -0.0117 658 LYS 42 CE 0.0096 -0.0152 -0.0209 659 LYS 42 HE1 0.0135 -0.0167 -0.0212 660 LYS 42 HE2 0.0103 -0.0155 -0.0210 661 LYS 42 NZ 0.0066 -0.0133 -0.0261 662 LYS 42 HZ1 0.0091 -0.0138 -0.0298 663 LYS 42 HZ2 0.0056 -0.0129 -0.0260 664 LYS 42 HZ3 0.0031 -0.0118 -0.0262 665 LYS 42 C -0.0039 -0.0113 -0.0073 666 LYS 42 O -0.0033 -0.0113 -0.0095 667 VAL 43 N -0.0005 -0.0126 -0.0049 668 VAL 43 HN 0.0016 -0.0124 -0.0056 669 VAL 43 CA -0.0016 -0.0106 0.0015 670 VAL 43 HA -0.0053 -0.0112 0.0018 671 VAL 43 CB -0.0037 -0.0096 0.0057 672 VAL 43 HB -0.0050 -0.0083 0.0103 673 VAL 43 CG1 -0.0096 -0.0116 0.0033 674 VAL 43 HG11 -0.0115 -0.0108 0.0065 675 VAL 43 HG12 -0.0133 -0.0125 0.0027 676 VAL 43 HG13 -0.0085 -0.0129 -0.0012 677 VAL 43 CG2 0.0017 -0.0084 0.0062 678 VAL 43 HG21 -0.0001 -0.0077 0.0091 679 VAL 43 HG22 0.0033 -0.0096 0.0017 680 VAL 43 HG23 0.0058 -0.0068 0.0084 681 VAL 43 C 0.0043 -0.0087 0.0038 682 VAL 43 O 0.0094 -0.0086 0.0011 683 ALA 44 N 0.0106 -0.0097 0.0081 684 ALA 44 HN 0.0082 -0.0100 0.0095 685 ALA 44 CA 0.0137 -0.0080 0.0098 686 ALA 44 HA 0.0162 -0.0077 0.0081 687 ALA 44 CB 0.0132 -0.0078 0.0108 688 ALA 44 HB1 0.0129 -0.0088 0.0084 689 ALA 44 HB2 0.0107 -0.0079 0.0128 690 ALA 44 HB3 0.0156 -0.0065 0.0120 691 ALA 44 C 0.0137 -0.0067 0.0131 692 ALA 44 O 0.0109 -0.0071 0.0148 693 LEU 45 N 0.0145 -0.0002 0.0088 694 LEU 45 HN 0.0151 0.0004 0.0084 695 LEU 45 CA 0.0142 -0.0007 0.0095 696 LEU 45 HA 0.0135 -0.0013 0.0098 697 LEU 45 CB 0.0142 -0.0003 0.0088 698 LEU 45 HB1 0.0141 -0.0007 0.0094 699 LEU 45 HB2 0.0150 0.0003 0.0085 700 LEU 45 CG 0.0133 -0.0005 0.0076 701 LEU 45 HG 0.0134 -0.0001 0.0070 702 LEU 45 CD1 0.0135 -0.0001 0.0069 703 LEU 45 HD11 0.0128 -0.0001 0.0061 704 LEU 45 HD12 0.0143 0.0006 0.0067 705 LEU 45 HD13 0.0134 -0.0003 0.0075 706 LEU 45 CD2 0.0122 -0.0014 0.0079 707 LEU 45 HD21 0.0122 -0.0017 0.0088 708 LEU 45 HD22 0.0119 -0.0016 0.0080 709 LEU 45 HD23 0.0116 -0.0015 0.0072 710 LEU 45 C 0.0151 -0.0005 0.0107 711 LEU 45 O 0.0161 0.0002 0.0106 712 LYS 46 N 0.0161 0.0012 0.0074 713 LYS 46 HN 0.0163 0.0000 0.0071 714 LYS 46 CA 0.0151 0.0032 0.0085 715 LYS 46 HA 0.0151 0.0045 0.0084 716 LYS 46 CB 0.0135 0.0026 0.0106 717 LYS 46 HB1 0.0132 0.0015 0.0111 718 LYS 46 HB2 0.0128 0.0042 0.0115 719 LYS 46 CG 0.0131 0.0011 0.0112 720 LYS 46 HG1 0.0133 0.0023 0.0110 721 LYS 46 HG2 0.0139 -0.0005 0.0103 722 LYS 46 CD 0.0116 0.0004 0.0133 723 LYS 46 HD1 0.0115 -0.0009 0.0135 724 LYS 46 HD2 0.0108 0.0020 0.0142 725 LYS 46 CE 0.0110 -0.0008 0.0142 726 LYS 46 HE1 0.0109 0.0006 0.0142 727 LYS 46 HE2 0.0117 -0.0024 0.0134 728 LYS 46 NZ 0.0095 -0.0016 0.0162 729 LYS 46 HZ1 0.0096 -0.0032 0.0162 730 LYS 46 HZ2 0.0089 -0.0018 0.0170 731 LYS 46 HZ3 0.0089 -0.0004 0.0169 732 LYS 46 C 0.0156 0.0045 0.0077 733 LYS 46 O 0.0164 0.0035 0.0068 734 THR 47 N 0.0156 0.0072 0.0008 735 THR 47 HN 0.0146 0.0070 0.0011 736 THR 47 CA 0.0158 0.0079 -0.0006 737 THR 47 HA 0.0167 0.0080 -0.0007 738 THR 47 CB 0.0145 0.0082 -0.0012 739 THR 47 HB 0.0147 0.0087 -0.0022 740 THR 47 OG1 0.0132 0.0082 -0.0012 741 THR 47 HG1 0.0124 0.0084 -0.0015 742 THR 47 CG2 0.0140 0.0078 -0.0004 743 THR 47 HG21 0.0137 0.0073 0.0005 744 THR 47 HG22 0.0131 0.0081 -0.0009 745 THR 47 HG23 0.0150 0.0078 -0.0004 746 THR 47 C 0.0161 0.0083 -0.0013 747 THR 47 O 0.0161 0.0080 -0.0008 748 HIS 48 N 0.0155 0.0100 -0.0015 749 HIS 48 HN 0.0153 0.0103 -0.0026 750 HIS 48 CA 0.0161 0.0101 -0.0028 751 HIS 48 HA 0.0177 0.0095 -0.0022 752 HIS 48 CB 0.0164 0.0107 -0.0054 753 HIS 48 HB1 0.0178 0.0103 -0.0056 754 HIS 48 HB2 0.0170 0.0107 -0.0063 755 HIS 48 CD2 0.0131 0.0123 -0.0080 756 HIS 48 HD2 0.0132 0.0124 -0.0088 757 HIS 48 CG 0.0144 0.0115 -0.0064 758 HIS 48 NE2 0.0114 0.0129 -0.0083 759 HIS 48 HE2 0.0103 0.0135 -0.0095 760 HIS 48 ND1 0.0136 0.0116 -0.0058 761 HIS 48 HD1 0.0142 0.0111 -0.0046 762 HIS 48 CE1 0.0118 0.0124 -0.0070 763 HIS 48 HE1 0.0108 0.0127 -0.0069 764 HIS 48 C 0.0144 0.0106 -0.0024 765 HIS 48 O 0.0150 0.0104 -0.0025 766 CYS 49 N 0.0143 0.0118 -0.0041 767 CYS 49 HN 0.0149 0.0113 -0.0035 768 CYS 49 CA 0.0128 0.0114 -0.0049 769 CYS 49 HA 0.0123 0.0124 -0.0056 770 CYS 49 CB 0.0124 0.0111 -0.0049 771 CYS 49 HB1 0.0128 0.0101 -0.0042 772 CYS 49 HB2 0.0131 0.0121 -0.0050 773 CYS 49 SG 0.0105 0.0108 -0.0059 774 CYS 49 HG1 0.0100 0.0100 -0.0058 775 CYS 49 C 0.0121 0.0100 -0.0046 776 CYS 49 O 0.0107 0.0094 -0.0051 777 GLY 50 N 0.0135 0.0093 0.0011 778 GLY 50 HN 0.0145 0.0099 0.0017 779 GLY 50 CA 0.0130 0.0082 0.0012 780 GLY 50 HA1 0.0120 0.0084 0.0003 781 GLY 50 HA2 0.0138 0.0085 0.0017 782 GLY 50 C 0.0128 0.0064 0.0017 783 GLY 50 O 0.0120 0.0054 0.0016 784 LYS 51 N 0.0155 0.0063 -0.0017 785 LYS 51 HN 0.0158 0.0069 -0.0011 786 LYS 51 CA 0.0143 0.0032 0.0000 787 LYS 51 HA 0.0138 0.0024 -0.0016 788 LYS 51 CB 0.0130 0.0003 0.0004 789 LYS 51 HB1 0.0121 -0.0021 0.0015 790 LYS 51 HB2 0.0135 0.0010 0.0024 791 LYS 51 CG 0.0123 -0.0006 -0.0033 792 LYS 51 HG1 0.0116 -0.0023 -0.0026 793 LYS 51 HG2 0.0132 0.0018 -0.0047 794 LYS 51 CD 0.0112 -0.0024 -0.0061 795 LYS 51 HD1 0.0119 -0.0007 -0.0067 796 LYS 51 HD2 0.0103 -0.0048 -0.0047 797 LYS 51 CE 0.0106 -0.0031 -0.0098 798 LYS 51 HE1 0.0101 -0.0043 -0.0092 799 LYS 51 HE2 0.0115 -0.0006 -0.0115 800 LYS 51 NZ 0.0093 -0.0054 -0.0121 801 LYS 51 HZ1 0.0090 -0.0057 -0.0147 802 LYS 51 HZ2 0.0084 -0.0079 -0.0107 803 LYS 51 HZ3 0.0097 -0.0045 -0.0125 804 LYS 51 C 0.0151 0.0041 0.0039 805 LYS 51 O 0.0160 0.0059 0.0060 806 TYR 52 N 0.0152 0.0004 0.0094 807 TYR 52 HN 0.0137 0.0003 0.0098 808 TYR 52 CA 0.0167 -0.0012 0.0103 809 TYR 52 HA 0.0181 -0.0010 0.0098 810 TYR 52 CB 0.0158 -0.0028 0.0117 811 TYR 52 HB1 0.0167 -0.0039 0.0125 812 TYR 52 HB2 0.0141 -0.0027 0.0121 813 TYR 52 CG 0.0159 -0.0028 0.0118 814 TYR 52 CD1 0.0144 -0.0018 0.0112 815 TYR 52 HD1 0.0132 -0.0008 0.0108 816 TYR 52 CE1 0.0145 -0.0018 0.0113 817 TYR 52 HE1 0.0134 -0.0010 0.0109 818 TYR 52 CZ 0.0160 -0.0030 0.0119 819 TYR 52 OH 0.0161 -0.0031 0.0119 820 TYR 52 HH 0.0172 -0.0040 0.0124 821 TYR 52 CD2 0.0174 -0.0040 0.0124 822 TYR 52 HD2 0.0185 -0.0048 0.0128 823 TYR 52 CE2 0.0175 -0.0041 0.0124 824 TYR 52 HE2 0.0186 -0.0050 0.0129 825 TYR 52 C 0.0172 -0.0014 0.0104 826 TYR 52 O 0.0158 -0.0012 0.0105 827 LEU 53 N 0.0147 -0.0004 0.0063 828 LEU 53 HN 0.0155 -0.0006 0.0062 829 LEU 53 CA 0.0149 -0.0005 0.0063 830 LEU 53 HA 0.0143 0.0000 0.0059 831 LEU 53 CB 0.0162 -0.0005 0.0058 832 LEU 53 HB1 0.0163 -0.0007 0.0060 833 LEU 53 HB2 0.0168 -0.0010 0.0061 834 LEU 53 CG 0.0164 0.0003 0.0047 835 LEU 53 HG 0.0157 0.0008 0.0045 836 LEU 53 CD1 0.0166 0.0006 0.0043 837 LEU 53 HD11 0.0168 0.0012 0.0035 838 LEU 53 HD12 0.0157 0.0007 0.0045 839 LEU 53 HD13 0.0173 0.0001 0.0045 840 LEU 53 CD2 0.0175 0.0002 0.0043 841 LEU 53 HD21 0.0174 0.0001 0.0045 842 LEU 53 HD22 0.0177 0.0009 0.0035 843 LEU 53 HD23 0.0183 -0.0002 0.0045 844 LEU 53 C 0.0146 -0.0012 0.0073 845 LEU 53 O 0.0149 -0.0019 0.0080 846 SER 54 N 0.0168 -0.0081 0.0072 847 SER 54 HN 0.0167 -0.0061 0.0062 848 SER 54 CA 0.0161 -0.0102 0.0087 849 SER 54 HA 0.0169 -0.0123 0.0095 850 SER 54 CB 0.0127 -0.0097 0.0101 851 SER 54 HB1 0.0119 -0.0075 0.0093 852 SER 54 HB2 0.0116 -0.0098 0.0106 853 SER 54 OG 0.0119 -0.0118 0.0116 854 SER 54 HG1 0.0120 -0.0135 0.0124 855 SER 54 C 0.0176 -0.0099 0.0078 856 SER 54 O 0.0181 -0.0075 0.0063 857 ILE 55 N 0.0173 -0.0109 0.0047 858 ILE 55 HN 0.0173 -0.0115 0.0052 859 ILE 55 CA 0.0173 -0.0098 0.0032 860 ILE 55 HA 0.0173 -0.0094 0.0026 861 ILE 55 CB 0.0172 -0.0105 0.0017 862 ILE 55 HB 0.0172 -0.0106 0.0022 863 ILE 55 CG2 0.0171 -0.0124 0.0013 864 ILE 55 HG21 0.0171 -0.0124 0.0010 865 ILE 55 HG22 0.0171 -0.0133 0.0025 866 ILE 55 HG23 0.0170 -0.0130 0.0002 867 ILE 55 CG1 0.0172 -0.0094 0.0000 868 ILE 55 HG11 0.0173 -0.0083 0.0002 869 ILE 55 HG12 0.0171 -0.0102 -0.0010 870 ILE 55 CD 0.0172 -0.0088 -0.0006 871 ILE 55 HD1 0.0173 -0.0078 0.0003 872 ILE 55 HD2 0.0172 -0.0099 -0.0007 873 ILE 55 HD3 0.0172 -0.0081 -0.0019 874 ILE 55 C 0.0174 -0.0080 0.0039 875 ILE 55 O 0.0174 -0.0068 0.0029 876 GLY 56 N 0.0144 -0.0127 0.0072 877 GLY 56 HN 0.0130 -0.0133 0.0081 878 GLY 56 CA 0.0110 -0.0111 0.0090 879 GLY 56 HA1 0.0105 -0.0067 0.0085 880 GLY 56 HA2 0.0077 -0.0129 0.0112 881 GLY 56 C 0.0121 -0.0129 0.0086 882 GLY 56 O 0.0139 -0.0175 0.0083 883 ASP 57 N 0.0121 -0.0106 0.0101 884 ASP 57 HN 0.0089 -0.0031 0.0132 885 ASP 57 CA 0.0150 -0.0107 0.0076 886 ASP 57 HA 0.0147 -0.0199 0.0076 887 ASP 57 CB 0.0084 -0.0025 0.0135 888 ASP 57 HB1 0.0104 -0.0023 0.0118 889 ASP 57 HB2 0.0086 0.0070 0.0137 890 ASP 57 CG -0.0018 -0.0069 0.0221 891 ASP 57 OD1 -0.0038 -0.0173 0.0234 892 ASP 57 OD2 -0.0076 0.0003 0.0272 893 ASP 57 C 0.0250 -0.0055 -0.0006 894 ASP 57 O 0.0279 -0.0028 -0.0031 895 HIS 58 N 0.0209 -0.0032 -0.0029 896 HIS 58 HN 0.0193 -0.0051 -0.0019 897 HIS 58 CA 0.0235 -0.0008 -0.0050 898 HIS 58 HA 0.0250 -0.0005 -0.0073 899 HIS 58 CB 0.0242 0.0034 -0.0025 900 HIS 58 HB1 0.0225 0.0031 0.0002 901 HIS 58 HB2 0.0244 0.0048 -0.0016 902 HIS 58 CD2 0.0270 0.0083 -0.0027 903 HIS 58 HD2 0.0255 0.0084 -0.0001 904 HIS 58 CG 0.0267 0.0062 -0.0041 905 HIS 58 NE2 0.0296 0.0104 -0.0053 906 HIS 58 HE2 0.0305 0.0124 -0.0050 907 HIS 58 ND1 0.0291 0.0069 -0.0076 908 HIS 58 HD1 0.0295 0.0058 -0.0092 909 HIS 58 CE1 0.0308 0.0095 -0.0081 910 HIS 58 HE1 0.0330 0.0108 -0.0106 911 HIS 58 C 0.0237 -0.0025 -0.0070 912 HIS 58 O 0.0217 -0.0055 -0.0064 913 LYS 59 N 0.0213 -0.0030 -0.0092 914 LYS 59 HN 0.0245 -0.0030 -0.0092 915 LYS 59 CA 0.0202 -0.0025 -0.0080 916 LYS 59 HA 0.0179 -0.0033 -0.0103 917 LYS 59 CB 0.0242 -0.0025 -0.0078 918 LYS 59 HB1 0.0233 -0.0021 -0.0066 919 LYS 59 HB2 0.0265 -0.0018 -0.0055 920 LYS 59 CG 0.0265 -0.0040 -0.0119 921 LYS 59 HG1 0.0292 -0.0039 -0.0115 922 LYS 59 HG2 0.0282 -0.0043 -0.0127 923 LYS 59 CD 0.0236 -0.0052 -0.0155 924 LYS 59 HD1 0.0257 -0.0062 -0.0182 925 LYS 59 HD2 0.0216 -0.0054 -0.0164 926 LYS 59 CE 0.0205 -0.0049 -0.0149 927 LYS 59 HE1 0.0187 -0.0059 -0.0177 928 LYS 59 HE2 0.0181 -0.0040 -0.0124 929 LYS 59 NZ 0.0228 -0.0045 -0.0136 930 LYS 59 HZ1 0.0253 -0.0052 -0.0156 931 LYS 59 HZ2 0.0242 -0.0035 -0.0107 932 LYS 59 HZ3 0.0207 -0.0044 -0.0134 933 LYS 59 C 0.0177 -0.0011 -0.0040 934 LYS 59 O 0.0150 -0.0009 -0.0036 935 GLN 60 N 0.0122 0.0003 -0.0035 936 GLN 60 HN 0.0133 0.0009 -0.0033 937 GLN 60 CA 0.0119 -0.0013 -0.0024 938 GLN 60 HA 0.0106 -0.0018 -0.0027 939 GLN 60 CB 0.0128 -0.0017 -0.0015 940 GLN 60 HB1 0.0124 -0.0029 -0.0007 941 GLN 60 HB2 0.0141 -0.0013 -0.0010 942 GLN 60 CG 0.0125 -0.0012 -0.0021 943 GLN 60 HG1 0.0129 -0.0018 -0.0013 944 GLN 60 HG2 0.0132 0.0000 -0.0026 945 GLN 60 CD 0.0107 -0.0013 -0.0031 946 GLN 60 OE1 0.0103 -0.0002 -0.0043 947 GLN 60 NE2 0.0097 -0.0027 -0.0026 948 GLN 60 HE21 0.0100 -0.0035 -0.0017 949 GLN 60 HE22 0.0086 -0.0028 -0.0032 950 GLN 60 C 0.0124 -0.0018 -0.0016 951 GLN 60 O 0.0137 -0.0010 -0.0015 952 VAL 61 N 0.0105 -0.0007 0.0013 953 VAL 61 HN 0.0107 -0.0008 0.0008 954 VAL 61 CA 0.0110 -0.0011 0.0018 955 VAL 61 HA 0.0111 -0.0012 0.0024 956 VAL 61 CB 0.0117 -0.0016 0.0013 957 VAL 61 HB 0.0116 -0.0015 0.0006 958 VAL 61 CG1 0.0122 -0.0020 0.0016 959 VAL 61 HG11 0.0123 -0.0021 0.0023 960 VAL 61 HG12 0.0128 -0.0024 0.0013 961 VAL 61 HG13 0.0121 -0.0019 0.0016 962 VAL 61 CG2 0.0120 -0.0018 0.0013 963 VAL 61 HG21 0.0126 -0.0022 0.0009 964 VAL 61 HG22 0.0121 -0.0019 0.0019 965 VAL 61 HG23 0.0117 -0.0016 0.0010 966 VAL 61 C 0.0108 -0.0010 0.0019 967 VAL 61 O 0.0105 -0.0007 0.0014 968 TYR 62 N 0.0136 -0.0015 0.0035 969 TYR 62 HN 0.0146 -0.0038 0.0050 970 TYR 62 CA 0.0100 -0.0001 0.0040 971 TYR 62 HA 0.0090 0.0022 0.0026 972 TYR 62 CB 0.0073 -0.0022 0.0068 973 TYR 62 HB1 0.0079 -0.0044 0.0083 974 TYR 62 HB2 0.0076 -0.0028 0.0072 975 TYR 62 CG 0.0034 -0.0004 0.0070 976 TYR 62 CD1 0.0014 -0.0008 0.0082 977 TYR 62 HD1 0.0026 -0.0025 0.0091 978 TYR 62 CE1 -0.0023 0.0010 0.0083 979 TYR 62 HE1 -0.0038 0.0007 0.0092 980 TYR 62 CZ -0.0039 0.0032 0.0072 981 TYR 62 OH -0.0075 0.0050 0.0072 982 TYR 62 HH -0.0077 0.0071 0.0057 983 TYR 62 CD2 0.0017 0.0019 0.0059 984 TYR 62 HD2 0.0033 0.0023 0.0049 985 TYR 62 CE2 -0.0019 0.0037 0.0060 986 TYR 62 HE2 -0.0031 0.0055 0.0050 987 TYR 62 C 0.0106 0.0001 0.0035 988 TYR 62 O 0.0130 -0.0017 0.0040 989 LEU 63 N 0.0077 -0.0003 0.0038 990 LEU 63 HN 0.0059 -0.0003 0.0032 991 LEU 63 CA 0.0090 0.0005 0.0023 992 LEU 63 HA 0.0109 0.0004 0.0032 993 LEU 63 CB 0.0093 0.0018 -0.0004 994 LEU 63 HB1 0.0074 0.0020 -0.0016 995 LEU 63 HB2 0.0099 0.0018 -0.0003 996 LEU 63 CG 0.0116 0.0027 -0.0017 997 LEU 63 HG 0.0113 0.0025 -0.0014 998 LEU 63 CD1 0.0144 0.0026 -0.0006 999 LEU 63 HD11 0.0147 0.0027 -0.0008 1000 LEU 63 HD12 0.0160 0.0033 -0.0016 1001 LEU 63 HD13 0.0147 0.0018 0.0014 1002 LEU 63 CD2 0.0113 0.0038 -0.0046 1003 LEU 63 HD21 0.0130 0.0045 -0.0055 1004 LEU 63 HD22 0.0113 0.0040 -0.0049 1005 LEU 63 HD23 0.0093 0.0039 -0.0054 1006 LEU 63 C 0.0071 0.0002 0.0023 1007 LEU 63 O 0.0048 0.0002 0.0015 1008 SER 64 N 0.0077 -0.0052 0.0062 1009 SER 64 HN 0.0102 -0.0052 0.0068 1010 SER 64 CA 0.0054 -0.0060 0.0072 1011 SER 64 HA 0.0028 -0.0062 0.0071 1012 SER 64 CB 0.0065 -0.0077 0.0105 1013 SER 64 HB1 0.0093 -0.0074 0.0106 1014 SER 64 HB2 0.0061 -0.0085 0.0119 1015 SER 64 OG 0.0046 -0.0085 0.0116 1016 SER 64 HG1 0.0057 -0.0081 0.0110 1017 SER 64 C 0.0056 -0.0048 0.0052 1018 SER 64 O 0.0081 -0.0038 0.0038 1019 HIS 65 N 0.0006 -0.0156 0.0044 1020 HIS 65 HN -0.0031 -0.0205 0.0062 1021 HIS 65 CA 0.0041 -0.0119 -0.0057 1022 HIS 65 HA 0.0072 -0.0078 -0.0075 1023 HIS 65 CB -0.0001 -0.0188 -0.0148 1024 HIS 65 HB1 -0.0032 -0.0230 -0.0133 1025 HIS 65 HB2 -0.0030 -0.0229 -0.0151 1026 HIS 65 CD2 0.0041 -0.0149 -0.0316 1027 HIS 65 HD2 0.0020 -0.0177 -0.0306 1028 HIS 65 CG 0.0035 -0.0149 -0.0252 1029 HIS 65 NE2 0.0081 -0.0102 -0.0401 1030 HIS 65 HE2 0.0097 -0.0087 -0.0460 1031 HIS 65 ND1 0.0071 -0.0104 -0.0296 1032 HIS 65 HD1 0.0075 -0.0095 -0.0266 1033 HIS 65 CE1 0.0098 -0.0077 -0.0384 1034 HIS 65 HE1 0.0132 -0.0036 -0.0438 1035 HIS 65 C 0.0079 -0.0064 -0.0050 1036 HIS 65 O 0.0056 -0.0095 -0.0033 1037 HIS 66 N 0.0106 -0.0130 -0.0027 1038 HIS 66 HN 0.0119 -0.0108 -0.0045 1039 HIS 66 CA 0.0142 -0.0066 -0.0008 1040 HIS 66 HA 0.0176 -0.0007 -0.0018 1041 HIS 66 CB 0.0145 -0.0068 -0.0082 1042 HIS 66 HB1 0.0175 -0.0015 -0.0067 1043 HIS 66 HB2 0.0110 -0.0127 -0.0077 1044 HIS 66 CD2 0.0142 -0.0091 -0.0268 1045 HIS 66 HD2 0.0119 -0.0131 -0.0279 1046 HIS 66 CG 0.0156 -0.0059 -0.0184 1047 HIS 66 NE2 0.0163 -0.0062 -0.0341 1048 HIS 66 HE2 0.0162 -0.0069 -0.0412 1049 HIS 66 ND1 0.0185 -0.0010 -0.0204 1050 HIS 66 HD1 0.0201 0.0022 -0.0156 1051 HIS 66 CE1 0.0188 -0.0014 -0.0298 1052 HIS 66 HE1 0.0209 0.0019 -0.0338 1053 HIS 66 C 0.0138 -0.0062 0.0097 1054 HIS 66 O 0.0106 -0.0111 0.0156 1055 LEU 67 N 0.0142 -0.0082 0.0107 1056 LEU 67 HN 0.0141 -0.0081 0.0106 1057 LEU 67 CA 0.0152 -0.0093 0.0117 1058 LEU 67 HA 0.0160 -0.0089 0.0114 1059 LEU 67 CB 0.0166 -0.0098 0.0123 1060 LEU 67 HB1 0.0158 -0.0102 0.0126 1061 LEU 67 HB2 0.0174 -0.0089 0.0115 1062 LEU 67 CG 0.0179 -0.0108 0.0133 1063 LEU 67 HG 0.0172 -0.0118 0.0141 1064 LEU 67 CD1 0.0187 -0.0104 0.0130 1065 LEU 67 HD11 0.0177 -0.0106 0.0131 1066 LEU 67 HD12 0.0193 -0.0094 0.0121 1067 LEU 67 HD13 0.0198 -0.0111 0.0137 1068 LEU 67 CD2 0.0195 -0.0109 0.0134 1069 LEU 67 HD21 0.0204 -0.0116 0.0142 1070 LEU 67 HD22 0.0202 -0.0099 0.0126 1071 LEU 67 HD23 0.0189 -0.0111 0.0137 1072 LEU 67 C 0.0140 -0.0104 0.0127 1073 LEU 67 O 0.0131 -0.0112 0.0133 1074 HIS 68 N 0.0070 -0.0146 0.0159 1075 HIS 68 HN 0.0093 -0.0122 0.0122 1076 HIS 68 CA 0.0030 -0.0176 0.0206 1077 HIS 68 HA -0.0024 -0.0177 0.0219 1078 HIS 68 CB 0.0012 -0.0155 0.0182 1079 HIS 68 HB1 0.0064 -0.0153 0.0169 1080 HIS 68 HB2 -0.0020 -0.0119 0.0141 1081 HIS 68 CD2 -0.0032 -0.0194 0.0243 1082 HIS 68 HD2 0.0011 -0.0189 0.0229 1083 HIS 68 CG -0.0038 -0.0180 0.0227 1084 HIS 68 NE2 -0.0093 -0.0216 0.0286 1085 HIS 68 HE2 -0.0102 -0.0236 0.0314 1086 HIS 68 ND1 -0.0101 -0.0194 0.0258 1087 HIS 68 HD1 -0.0119 -0.0189 0.0255 1088 HIS 68 CE1 -0.0132 -0.0216 0.0293 1089 HIS 68 HE1 -0.0182 -0.0232 0.0326 1090 HIS 68 C 0.0070 -0.0225 0.0265 1091 HIS 68 O 0.0140 -0.0235 0.0263 1092 GLY 69 N 0.0012 -0.0272 0.0264 1093 GLY 69 HN -0.0007 -0.0246 0.0277 1094 GLY 69 CA 0.0021 -0.0318 0.0270 1095 GLY 69 HA1 -0.0000 -0.0320 0.0294 1096 GLY 69 HA2 0.0026 -0.0346 0.0274 1097 GLY 69 C 0.0052 -0.0326 0.0239 1098 GLY 69 O 0.0073 -0.0365 0.0228 1099 ASP 70 N -0.0012 -0.0368 0.0314 1100 ASP 70 HN -0.0087 -0.0320 0.0303 1101 ASP 70 CA 0.0047 -0.0384 0.0302 1102 ASP 70 HA 0.0083 -0.0456 0.0356 1103 ASP 70 CB -0.0033 -0.0349 0.0306 1104 ASP 70 HB1 0.0009 -0.0372 0.0309 1105 ASP 70 HB2 -0.0064 -0.0275 0.0248 1106 ASP 70 CG -0.0133 -0.0386 0.0389 1107 ASP 70 OD1 -0.0115 -0.0469 0.0461 1108 ASP 70 OD2 -0.0228 -0.0331 0.0380 1109 ASP 70 C 0.0144 -0.0343 0.0217 1110 ASP 70 O 0.0142 -0.0276 0.0152 1111 HIS 71 N 0.0087 -0.0332 0.0078 1112 HIS 71 HN 0.0090 -0.0366 0.0080 1113 HIS 71 CA 0.0132 -0.0310 0.0075 1114 HIS 71 HA 0.0148 -0.0335 0.0076 1115 HIS 71 CB 0.0166 -0.0306 0.0074 1116 HIS 71 HB1 0.0201 -0.0293 0.0072 1117 HIS 71 HB2 0.0151 -0.0282 0.0073 1118 HIS 71 CD2 0.0162 -0.0369 0.0078 1119 HIS 71 HD2 0.0146 -0.0350 0.0077 1120 HIS 71 CG 0.0173 -0.0354 0.0076 1121 HIS 71 NE2 0.0176 -0.0416 0.0080 1122 HIS 71 HE2 0.0172 -0.0437 0.0081 1123 HIS 71 ND1 0.0194 -0.0390 0.0078 1124 HIS 71 HD1 0.0205 -0.0389 0.0077 1125 HIS 71 CE1 0.0195 -0.0426 0.0080 1126 HIS 71 HE1 0.0209 -0.0462 0.0082 1127 HIS 71 C 0.0130 -0.0263 0.0072 1128 HIS 71 O 0.0148 -0.0227 0.0070 1129 SER 72 N 0.0224 -0.0212 0.0085 1130 SER 72 HN 0.0210 -0.0234 0.0086 1131 SER 72 CA 0.0217 -0.0181 0.0087 1132 SER 72 HA 0.0237 -0.0161 0.0086 1133 SER 72 CB 0.0181 -0.0164 0.0091 1134 SER 72 HB1 0.0178 -0.0140 0.0092 1135 SER 72 HB2 0.0159 -0.0183 0.0092 1136 SER 72 OG 0.0177 -0.0157 0.0091 1137 SER 72 HG1 0.0171 -0.0179 0.0091 1138 SER 72 C 0.0218 -0.0188 0.0087 1139 SER 72 O 0.0208 -0.0166 0.0088 1140 LEU 73 N 0.0228 -0.0189 0.0004 1141 LEU 73 HN 0.0253 -0.0192 -0.0026 1142 LEU 73 CA 0.0163 -0.0173 0.0001 1143 LEU 73 HA 0.0140 -0.0170 0.0034 1144 LEU 73 CB 0.0138 -0.0161 -0.0063 1145 LEU 73 HB1 0.0088 -0.0149 -0.0060 1146 LEU 73 HB2 0.0152 -0.0162 -0.0095 1147 LEU 73 CG 0.0157 -0.0163 -0.0094 1148 LEU 73 HG 0.0208 -0.0175 -0.0099 1149 LEU 73 CD1 0.0132 -0.0151 -0.0159 1150 LEU 73 HD11 0.0148 -0.0153 -0.0182 1151 LEU 73 HD12 0.0146 -0.0152 -0.0188 1152 LEU 73 HD13 0.0082 -0.0140 -0.0156 1153 LEU 73 CD2 0.0138 -0.0162 -0.0056 1154 LEU 73 HD21 0.0158 -0.0171 -0.0010 1155 LEU 73 HD22 0.0154 -0.0164 -0.0080 1156 LEU 73 HD23 0.0089 -0.0150 -0.0051 1157 LEU 73 C 0.0148 -0.0170 0.0018 1158 LEU 73 O 0.0178 -0.0176 -0.0004 1159 PHE 74 N 0.0129 -0.0073 0.0019 1160 PHE 74 HN 0.0124 -0.0078 0.0029 1161 PHE 74 CA 0.0117 -0.0076 0.0020 1162 PHE 74 HA 0.0124 -0.0070 0.0009 1163 PHE 74 CB 0.0119 -0.0085 0.0042 1164 PHE 74 HB1 0.0108 -0.0087 0.0044 1165 PHE 74 HB2 0.0114 -0.0090 0.0054 1166 PHE 74 CG 0.0143 -0.0083 0.0049 1167 PHE 74 CD1 0.0158 -0.0085 0.0059 1168 PHE 74 HD1 0.0153 -0.0087 0.0062 1169 PHE 74 CE1 0.0180 -0.0083 0.0066 1170 PHE 74 HE1 0.0191 -0.0084 0.0073 1171 PHE 74 CZ 0.0187 -0.0080 0.0062 1172 PHE 74 HZ 0.0204 -0.0080 0.0067 1173 PHE 74 CD2 0.0150 -0.0080 0.0045 1174 PHE 74 HD2 0.0139 -0.0079 0.0038 1175 PHE 74 CE2 0.0172 -0.0079 0.0052 1176 PHE 74 HE2 0.0178 -0.0077 0.0049 1177 PHE 74 C 0.0092 -0.0077 0.0013 1178 PHE 74 O 0.0082 -0.0079 0.0012 1179 HIS 75 N 0.0061 -0.0057 0.0021 1180 HIS 75 HN 0.0065 -0.0070 0.0031 1181 HIS 75 CA 0.0055 -0.0037 0.0031 1182 HIS 75 HA 0.0050 -0.0024 0.0020 1183 HIS 75 CB 0.0055 -0.0038 0.0033 1184 HIS 75 HB1 0.0059 -0.0052 0.0044 1185 HIS 75 HB2 0.0056 -0.0041 0.0017 1186 HIS 75 CD2 0.0043 0.0000 0.0050 1187 HIS 75 HD2 0.0041 0.0007 0.0050 1188 HIS 75 CG 0.0049 -0.0019 0.0043 1189 HIS 75 NE2 0.0040 0.0011 0.0057 1190 HIS 75 HE2 0.0036 0.0025 0.0065 1191 HIS 75 ND1 0.0049 -0.0020 0.0046 1192 HIS 75 HD1 0.0053 -0.0032 0.0042 1193 HIS 75 CE1 0.0044 -0.0002 0.0054 1194 HIS 75 HE1 0.0043 0.0003 0.0059 1195 HIS 75 C 0.0054 -0.0033 0.0053 1196 HIS 75 O 0.0058 -0.0047 0.0068 1197 LEU 76 N 0.0063 -0.0006 0.0055 1198 LEU 76 HN 0.0063 -0.0006 0.0055 1199 LEU 76 CA 0.0060 -0.0009 0.0058 1200 LEU 76 HA 0.0062 -0.0009 0.0059 1201 LEU 76 CB 0.0059 -0.0011 0.0061 1202 LEU 76 HB1 0.0057 -0.0012 0.0063 1203 LEU 76 HB2 0.0057 -0.0010 0.0060 1204 LEU 76 CG 0.0063 -0.0012 0.0063 1205 LEU 76 HG 0.0065 -0.0010 0.0061 1206 LEU 76 CD1 0.0062 -0.0014 0.0066 1207 LEU 76 HD11 0.0060 -0.0015 0.0068 1208 LEU 76 HD12 0.0065 -0.0014 0.0067 1209 LEU 76 HD13 0.0060 -0.0013 0.0064 1210 LEU 76 CD2 0.0066 -0.0013 0.0065 1211 LEU 76 HD21 0.0067 -0.0011 0.0063 1212 LEU 76 HD22 0.0069 -0.0013 0.0067 1213 LEU 76 HD23 0.0064 -0.0014 0.0067 1214 LEU 76 C 0.0056 -0.0008 0.0056 1215 LEU 76 O 0.0054 -0.0007 0.0054 1216 GLU 77 N 0.0029 0.0028 0.0044 1217 GLU 77 HN 0.0028 0.0022 0.0045 1218 GLU 77 CA 0.0021 0.0035 0.0048 1219 GLU 77 HA 0.0023 0.0042 0.0047 1220 GLU 77 CB 0.0014 0.0038 0.0051 1221 GLU 77 HB1 0.0007 0.0042 0.0054 1222 GLU 77 HB2 0.0011 0.0031 0.0052 1223 GLU 77 CG 0.0019 0.0045 0.0049 1224 GLU 77 HG1 0.0024 0.0040 0.0047 1225 GLU 77 HG2 0.0025 0.0051 0.0046 1226 GLU 77 CD 0.0013 0.0052 0.0052 1227 GLU 77 OE1 0.0007 0.0048 0.0054 1228 GLU 77 OE2 0.0014 0.0062 0.0051 1229 GLU 77 C 0.0015 0.0028 0.0050 1230 GLU 77 O 0.0011 0.0019 0.0052 1231 HIS 78 N -0.0003 0.0043 0.0060 1232 HIS 78 HN 0.0007 0.0052 0.0065 1233 HIS 78 CA -0.0008 0.0016 0.0052 1234 HIS 78 HA -0.0013 0.0006 0.0048 1235 HIS 78 CB 0.0015 0.0000 0.0058 1236 HIS 78 HB1 0.0009 -0.0018 0.0052 1237 HIS 78 HB2 0.0023 0.0013 0.0064 1238 HIS 78 CD2 0.0057 0.0001 0.0075 1239 HIS 78 HD2 0.0065 0.0019 0.0081 1240 HIS 78 CG 0.0035 -0.0008 0.0064 1241 HIS 78 NE2 0.0070 -0.0015 0.0076 1242 HIS 78 HE2 0.0087 -0.0012 0.0083 1243 HIS 78 ND1 0.0034 -0.0031 0.0059 1244 HIS 78 HD1 0.0020 -0.0044 0.0051 1245 HIS 78 CE1 0.0056 -0.0034 0.0067 1246 HIS 78 HE1 0.0060 -0.0050 0.0065 1247 HIS 78 C -0.0030 0.0015 0.0044 1248 HIS 78 O -0.0031 0.0028 0.0046 1249 HIS 79 N -0.0145 -0.0051 -0.0037 1250 HIS 79 HN -0.0139 -0.0073 -0.0035 1251 HIS 79 CA -0.0189 -0.0062 -0.0053 1252 HIS 79 HA -0.0184 -0.0052 -0.0051 1253 HIS 79 CB -0.0236 -0.0034 -0.0069 1254 HIS 79 HB1 -0.0270 -0.0049 -0.0081 1255 HIS 79 HB2 -0.0239 -0.0042 -0.0070 1256 HIS 79 CD2 -0.0239 0.0063 -0.0070 1257 HIS 79 HD2 -0.0237 0.0061 -0.0069 1258 HIS 79 CG -0.0237 0.0024 -0.0069 1259 HIS 79 NE2 -0.0248 0.0108 -0.0072 1260 HIS 79 HE2 -0.0251 0.0144 -0.0073 1261 HIS 79 ND1 -0.0245 0.0043 -0.0072 1262 HIS 79 HD1 -0.0247 0.0023 -0.0072 1263 HIS 79 CE1 -0.0251 0.0094 -0.0074 1264 HIS 79 HE1 -0.0257 0.0122 -0.0076 1265 HIS 79 C -0.0202 -0.0120 -0.0057 1266 HIS 79 O -0.0211 -0.0141 -0.0061 1267 GLY 80 N -0.0282 -0.0311 -0.0126 1268 GLY 80 HN -0.0297 -0.0345 -0.0133 1269 GLY 80 CA -0.0299 -0.0370 -0.0103 1270 GLY 80 HA1 -0.0308 -0.0354 -0.0161 1271 GLY 80 HA2 -0.0325 -0.0443 -0.0097 1272 GLY 80 C -0.0266 -0.0353 -0.0007 1273 GLY 80 O -0.0247 -0.0357 0.0069 1274 GLY 81 N -0.0159 -0.0076 -0.0033 1275 GLY 81 HN -0.0164 -0.0076 -0.0050 1276 GLY 81 CA -0.0134 -0.0065 0.0016 1277 GLY 81 HA1 -0.0137 -0.0071 0.0032 1278 GLY 81 HA2 -0.0144 -0.0078 0.0039 1279 GLY 81 C -0.0091 -0.0029 0.0013 1280 GLY 81 O -0.0068 -0.0017 0.0051 1281 LYS 82 N -0.0080 -0.0041 0.0018 1282 LYS 82 HN -0.0087 -0.0047 0.0005 1283 LYS 82 CA -0.0073 -0.0014 0.0019 1284 LYS 82 HA -0.0069 -0.0010 0.0027 1285 LYS 82 CB -0.0081 -0.0001 -0.0007 1286 LYS 82 HB1 -0.0076 0.0020 -0.0006 1287 LYS 82 HB2 -0.0086 -0.0005 -0.0014 1288 LYS 82 CG -0.0090 -0.0009 -0.0023 1289 LYS 82 HG1 -0.0094 -0.0030 -0.0022 1290 LYS 82 HG2 -0.0086 -0.0003 -0.0016 1291 LYS 82 CD -0.0099 0.0002 -0.0049 1292 LYS 82 HD1 -0.0094 0.0023 -0.0050 1293 LYS 82 HD2 -0.0102 -0.0003 -0.0055 1294 LYS 82 CE -0.0108 -0.0009 -0.0066 1295 LYS 82 HE1 -0.0115 -0.0001 -0.0085 1296 LYS 82 HE2 -0.0113 -0.0030 -0.0065 1297 LYS 82 NZ -0.0105 -0.0003 -0.0060 1298 LYS 82 HZ1 -0.0100 0.0016 -0.0060 1299 LYS 82 HZ2 -0.0099 -0.0011 -0.0043 1300 LYS 82 HZ3 -0.0111 -0.0009 -0.0073 1301 LYS 82 C -0.0064 -0.0004 0.0035 1302 LYS 82 O -0.0066 -0.0012 0.0035 1303 VAL 83 N -0.0004 0.0011 0.0034 1304 VAL 83 HN -0.0008 0.0008 0.0031 1305 VAL 83 CA 0.0002 0.0020 0.0042 1306 VAL 83 HA 0.0003 0.0025 0.0044 1307 VAL 83 CB 0.0014 0.0015 0.0047 1308 VAL 83 HB 0.0018 0.0008 0.0046 1309 VAL 83 CG1 0.0015 0.0010 0.0045 1310 VAL 83 HG11 0.0024 0.0005 0.0048 1311 VAL 83 HG12 0.0010 0.0003 0.0039 1312 VAL 83 HG13 0.0011 0.0017 0.0046 1313 VAL 83 CG2 0.0021 0.0026 0.0056 1314 VAL 83 HG21 0.0031 0.0022 0.0060 1315 VAL 83 HG22 0.0018 0.0033 0.0057 1316 VAL 83 HG23 0.0021 0.0030 0.0057 1317 VAL 83 C -0.0004 0.0031 0.0043 1318 VAL 83 O -0.0009 0.0029 0.0039 1319 SER 84 N 0.0001 0.0004 0.0035 1320 SER 84 HN 0.0003 0.0011 0.0036 1321 SER 84 CA -0.0001 0.0014 0.0035 1322 SER 84 HA -0.0003 0.0006 0.0035 1323 SER 84 CB -0.0015 0.0026 0.0035 1324 SER 84 HB1 -0.0013 0.0035 0.0035 1325 SER 84 HB2 -0.0026 0.0019 0.0034 1326 SER 84 OG -0.0017 0.0034 0.0035 1327 SER 84 HG1 -0.0027 0.0040 0.0034 1328 SER 84 C 0.0015 0.0022 0.0037 1329 SER 84 O 0.0023 0.0028 0.0038 1330 ILE 85 N 0.0041 0.0007 0.0041 1331 ILE 85 HN 0.0040 0.0004 0.0043 1332 ILE 85 CA 0.0048 0.0008 0.0037 1333 ILE 85 HA 0.0049 0.0011 0.0035 1334 ILE 85 CB 0.0054 0.0000 0.0039 1335 ILE 85 HB 0.0054 -0.0002 0.0041 1336 ILE 85 CG2 0.0062 0.0001 0.0036 1337 ILE 85 HG21 0.0065 -0.0004 0.0037 1338 ILE 85 HG22 0.0064 0.0004 0.0033 1339 ILE 85 HG23 0.0062 0.0004 0.0034 1340 ILE 85 CG1 0.0051 -0.0005 0.0044 1341 ILE 85 HG11 0.0055 -0.0010 0.0045 1342 ILE 85 HG12 0.0045 -0.0006 0.0046 1343 ILE 85 CD 0.0050 -0.0002 0.0042 1344 ILE 85 HD1 0.0047 -0.0005 0.0046 1345 ILE 85 HD2 0.0055 -0.0002 0.0040 1346 ILE 85 HD3 0.0046 0.0004 0.0041 1347 ILE 85 C 0.0051 0.0011 0.0034 1348 ILE 85 O 0.0050 0.0009 0.0036 1349 LYS 86 N 0.0053 -0.0036 0.0030 1350 LYS 86 HN 0.0059 -0.0032 0.0029 1351 LYS 86 CA 0.0050 -0.0033 0.0034 1352 LYS 86 HA 0.0044 -0.0038 0.0034 1353 LYS 86 CB 0.0046 -0.0025 0.0042 1354 LYS 86 HB1 0.0041 -0.0027 0.0044 1355 LYS 86 HB2 0.0042 -0.0024 0.0045 1356 LYS 86 CG 0.0053 -0.0016 0.0043 1357 LYS 86 HG1 0.0058 -0.0013 0.0042 1358 LYS 86 HG2 0.0057 -0.0017 0.0040 1359 LYS 86 CD 0.0049 -0.0009 0.0051 1360 LYS 86 HD1 0.0045 -0.0012 0.0052 1361 LYS 86 HD2 0.0044 -0.0009 0.0055 1362 LYS 86 CE 0.0055 0.0000 0.0053 1363 LYS 86 HE1 0.0059 0.0004 0.0053 1364 LYS 86 HE2 0.0060 -0.0000 0.0050 1365 LYS 86 NZ 0.0050 0.0006 0.0061 1366 LYS 86 HZ1 0.0043 0.0004 0.0063 1367 LYS 86 HZ2 0.0051 0.0006 0.0060 1368 LYS 86 HZ3 0.0053 0.0013 0.0063 1369 LYS 86 C 0.0057 -0.0031 0.0031 1370 LYS 86 O 0.0065 -0.0029 0.0027 1371 GLY 87 N 0.0078 -0.0095 0.0014 1372 GLY 87 HN 0.0079 -0.0096 0.0015 1373 GLY 87 CA 0.0074 -0.0097 0.0012 1374 GLY 87 HA1 0.0074 -0.0097 0.0011 1375 GLY 87 HA2 0.0073 -0.0095 0.0011 1376 GLY 87 C 0.0075 -0.0101 0.0012 1377 GLY 87 O 0.0077 -0.0101 0.0014 1378 HIS 88 N 0.0045 -0.0157 0.0003 1379 HIS 88 HN 0.0033 -0.0156 -0.0012 1380 HIS 88 CA 0.0042 -0.0173 0.0021 1381 HIS 88 HA 0.0057 -0.0166 0.0029 1382 HIS 88 CB 0.0023 -0.0183 0.0011 1383 HIS 88 HB1 0.0007 -0.0193 0.0004 1384 HIS 88 HB2 0.0024 -0.0170 -0.0004 1385 HIS 88 CD2 0.0007 -0.0216 0.0034 1386 HIS 88 HD2 -0.0010 -0.0226 0.0026 1387 HIS 88 CG 0.0023 -0.0197 0.0029 1388 HIS 88 NE2 0.0017 -0.0221 0.0052 1389 HIS 88 HE2 0.0010 -0.0234 0.0061 1390 HIS 88 ND1 0.0043 -0.0189 0.0043 1391 HIS 88 HD1 0.0058 -0.0176 0.0042 1392 HIS 88 CE1 0.0038 -0.0205 0.0057 1393 HIS 88 HE1 0.0050 -0.0204 0.0071 1394 HIS 88 C 0.0041 -0.0190 0.0041 1395 HIS 88 O 0.0034 -0.0194 0.0038 1396 HIS 89 N -0.0042 -0.0187 0.0129 1397 HIS 89 HN -0.0027 -0.0193 0.0146 1398 HIS 89 CA -0.0051 -0.0191 0.0147 1399 HIS 89 HA -0.0043 -0.0200 0.0177 1400 HIS 89 CB -0.0096 -0.0187 0.0147 1401 HIS 89 HB1 -0.0100 -0.0192 0.0164 1402 HIS 89 HB2 -0.0106 -0.0178 0.0118 1403 HIS 89 CD2 -0.0152 -0.0184 0.0152 1404 HIS 89 HD2 -0.0164 -0.0175 0.0123 1405 HIS 89 CG -0.0121 -0.0190 0.0166 1406 HIS 89 NE2 -0.0166 -0.0191 0.0182 1407 HIS 89 HE2 -0.0190 -0.0189 0.0182 1408 HIS 89 ND1 -0.0116 -0.0202 0.0204 1409 HIS 89 HD1 -0.0096 -0.0208 0.0222 1410 HIS 89 CE1 -0.0143 -0.0202 0.0213 1411 HIS 89 HE1 -0.0149 -0.0210 0.0241 1412 HIS 89 C -0.0025 -0.0188 0.0130 1413 HIS 89 O -0.0031 -0.0190 0.0138 1414 HIS 90 N -0.0012 -0.0087 0.0101 1415 HIS 90 HN -0.0023 -0.0086 0.0110 1416 HIS 90 CA 0.0017 -0.0088 0.0078 1417 HIS 90 HA 0.0021 -0.0093 0.0078 1418 HIS 90 CB 0.0040 -0.0115 0.0079 1419 HIS 90 HB1 0.0061 -0.0113 0.0060 1420 HIS 90 HB2 0.0035 -0.0115 0.0084 1421 HIS 90 CD2 0.0025 -0.0156 0.0125 1422 HIS 90 HD2 0.0004 -0.0150 0.0138 1423 HIS 90 CG 0.0043 -0.0143 0.0099 1424 HIS 90 NE2 0.0037 -0.0182 0.0135 1425 HIS 90 HE2 0.0028 -0.0196 0.0154 1426 HIS 90 ND1 0.0067 -0.0161 0.0093 1427 HIS 90 HD1 0.0086 -0.0159 0.0076 1428 HIS 90 CE1 0.0062 -0.0184 0.0115 1429 HIS 90 HE1 0.0077 -0.0202 0.0117 1430 HIS 90 C 0.0021 -0.0060 0.0053 1431 HIS 90 O 0.0044 -0.0059 0.0032 1432 HIS 91 N 0.0040 -0.0004 -0.0013 1433 HIS 91 HN 0.0046 0.0003 -0.0000 1434 HIS 91 CA 0.0042 0.0004 -0.0016 1435 HIS 91 HA 0.0037 0.0005 -0.0036 1436 HIS 91 CB 0.0054 0.0030 -0.0008 1437 HIS 91 HB1 0.0056 0.0036 -0.0012 1438 HIS 91 HB2 0.0059 0.0030 0.0012 1439 HIS 91 CD2 0.0066 0.0062 -0.0014 1440 HIS 91 HD2 0.0072 0.0065 0.0005 1441 HIS 91 CG 0.0058 0.0047 -0.0022 1442 HIS 91 NE2 0.0065 0.0072 -0.0035 1443 HIS 91 HE2 0.0069 0.0083 -0.0036 1444 HIS 91 ND1 0.0052 0.0048 -0.0047 1445 HIS 91 HD1 0.0046 0.0039 -0.0058 1446 HIS 91 CE1 0.0056 0.0063 -0.0055 1447 HIS 91 HE1 0.0053 0.0067 -0.0074 1448 HIS 91 C 0.0039 -0.0011 -0.0003 1449 HIS 91 O 0.0039 -0.0023 0.0016 1450 TYR 92 N 0.0012 0.0023 0.0005 1451 TYR 92 HN 0.0007 0.0023 0.0007 1452 TYR 92 CA 0.0011 0.0015 0.0005 1453 TYR 92 HA 0.0017 0.0017 0.0004 1454 TYR 92 CB 0.0001 0.0015 0.0008 1455 TYR 92 HB1 0.0000 0.0009 0.0008 1456 TYR 92 HB2 -0.0004 0.0015 0.0009 1457 TYR 92 CG -0.0000 0.0024 0.0008 1458 TYR 92 CD1 -0.0003 0.0033 0.0009 1459 TYR 92 HD1 -0.0004 0.0034 0.0010 1460 TYR 92 CE1 -0.0004 0.0041 0.0010 1461 TYR 92 HE1 -0.0006 0.0048 0.0010 1462 TYR 92 CZ -0.0003 0.0040 0.0010 1463 TYR 92 OH -0.0004 0.0048 0.0010 1464 TYR 92 HH -0.0002 0.0046 0.0009 1465 TYR 92 CD2 0.0000 0.0023 0.0008 1466 TYR 92 HD2 0.0002 0.0016 0.0008 1467 TYR 92 CE2 -0.0001 0.0031 0.0009 1468 TYR 92 HE2 -0.0000 0.0030 0.0009 1469 TYR 92 C 0.0014 0.0005 0.0005 1470 TYR 92 O 0.0011 0.0003 0.0005 1471 ILE 93 N 0.0045 0.0002 0.0015 1472 ILE 93 HN 0.0045 0.0000 0.0016 1473 ILE 93 CA 0.0049 -0.0004 0.0017 1474 ILE 93 HA 0.0052 -0.0000 0.0018 1475 ILE 93 CB 0.0057 -0.0010 0.0021 1476 ILE 93 HB 0.0054 -0.0015 0.0020 1477 ILE 93 CG2 0.0064 -0.0002 0.0022 1478 ILE 93 HG21 0.0070 -0.0006 0.0024 1479 ILE 93 HG22 0.0066 0.0003 0.0022 1480 ILE 93 HG23 0.0060 0.0002 0.0020 1481 ILE 93 CG1 0.0062 -0.0016 0.0023 1482 ILE 93 HG11 0.0066 -0.0012 0.0024 1483 ILE 93 HG12 0.0057 -0.0021 0.0022 1484 ILE 93 CD 0.0068 -0.0023 0.0026 1485 ILE 93 HD1 0.0064 -0.0028 0.0025 1486 ILE 93 HD2 0.0072 -0.0028 0.0028 1487 ILE 93 HD3 0.0074 -0.0019 0.0027 1488 ILE 93 C 0.0041 -0.0011 0.0016 1489 ILE 93 O 0.0037 -0.0017 0.0015 1490 SER 94 N -0.0008 0.0000 0.0017 1491 SER 94 HN -0.0002 -0.0002 0.0014 1492 SER 94 CA -0.0019 -0.0008 0.0024 1493 SER 94 HA -0.0024 -0.0004 0.0028 1494 SER 94 CB -0.0027 -0.0006 0.0030 1495 SER 94 HB1 -0.0024 -0.0012 0.0027 1496 SER 94 HB2 -0.0028 0.0006 0.0030 1497 SER 94 OG -0.0040 -0.0011 0.0038 1498 SER 94 HG1 -0.0041 -0.0022 0.0037 1499 SER 94 C -0.0017 -0.0025 0.0022 1500 SER 94 O -0.0010 -0.0031 0.0018 1501 ALA 95 N -0.0062 0.0019 0.0033 1502 ALA 95 HN -0.0057 0.0027 0.0041 1503 ALA 95 CA -0.0067 0.0011 0.0020 1504 ALA 95 HA -0.0071 0.0004 0.0010 1505 ALA 95 CB -0.0056 0.0020 0.0009 1506 ALA 95 HB1 -0.0052 0.0026 0.0018 1507 ALA 95 HB2 -0.0059 0.0014 -0.0002 1508 ALA 95 HB3 -0.0048 0.0026 0.0002 1509 ALA 95 C -0.0077 0.0002 0.0028 1510 ALA 95 O -0.0075 0.0007 0.0041 1511 ASP 96 N -0.0119 0.0004 0.0001 1512 ASP 96 HN -0.0115 -0.0003 -0.0015 1513 ASP 96 CA -0.0136 -0.0014 0.0013 1514 ASP 96 HA -0.0142 -0.0006 0.0034 1515 ASP 96 CB -0.0148 -0.0039 0.0007 1516 ASP 96 HB1 -0.0162 -0.0054 0.0015 1517 ASP 96 HB2 -0.0142 -0.0046 -0.0015 1518 ASP 96 CG -0.0152 -0.0035 0.0018 1519 ASP 96 OD1 -0.0159 -0.0053 0.0011 1520 ASP 96 OD2 -0.0147 -0.0014 0.0034 1521 ASP 96 C -0.0133 -0.0018 0.0002 1522 ASP 96 O -0.0118 -0.0009 -0.0017 1523 HIS 97 N -0.0210 -0.0016 0.0021 1524 HIS 97 HN -0.0227 -0.0025 0.0047 1525 HIS 97 CA -0.0204 -0.0018 -0.0009 1526 HIS 97 HA -0.0178 0.0004 -0.0014 1527 HIS 97 CB -0.0223 -0.0031 0.0009 1528 HIS 97 HB1 -0.0218 -0.0031 -0.0014 1529 HIS 97 HB2 -0.0250 -0.0054 0.0013 1530 HIS 97 CD2 -0.0189 0.0013 0.0059 1531 HIS 97 HD2 -0.0169 0.0026 0.0037 1532 HIS 97 CG -0.0215 -0.0013 0.0051 1533 HIS 97 NE2 -0.0193 0.0020 0.0103 1534 HIS 97 HE2 -0.0176 0.0040 0.0120 1535 HIS 97 ND1 -0.0235 -0.0022 0.0088 1536 HIS 97 HD1 -0.0256 -0.0040 0.0092 1537 HIS 97 CE1 -0.0221 -0.0002 0.0119 1538 HIS 97 HE1 -0.0231 -0.0002 0.0153 1539 HIS 97 C -0.0214 -0.0037 -0.0053 1540 HIS 97 O -0.0201 -0.0033 -0.0084 1541 HIS 98 N -0.0211 -0.0041 -0.0025 1542 HIS 98 HN -0.0219 -0.0041 -0.0003 1543 HIS 98 CA -0.0214 -0.0069 -0.0068 1544 HIS 98 HA -0.0194 -0.0055 -0.0095 1545 HIS 98 CB -0.0241 -0.0108 -0.0069 1546 HIS 98 HB1 -0.0262 -0.0122 -0.0042 1547 HIS 98 HB2 -0.0238 -0.0100 -0.0065 1548 HIS 98 CD2 -0.0269 -0.0176 -0.0122 1549 HIS 98 HD2 -0.0291 -0.0195 -0.0099 1550 HIS 98 CG -0.0245 -0.0138 -0.0113 1551 HIS 98 NE2 -0.0260 -0.0188 -0.0169 1552 HIS 98 HE2 -0.0272 -0.0216 -0.0186 1553 HIS 98 ND1 -0.0221 -0.0126 -0.0153 1554 HIS 98 HD1 -0.0201 -0.0099 -0.0157 1555 HIS 98 CE1 -0.0231 -0.0157 -0.0185 1556 HIS 98 HE1 -0.0218 -0.0158 -0.0221 1557 HIS 98 C -0.0218 -0.0080 -0.0077 1558 HIS 98 O -0.0228 -0.0076 -0.0045 1559 GLY 99 N -0.0153 -0.0082 -0.0109 1560 GLY 99 HN -0.0143 -0.0097 -0.0136 1561 GLY 99 CA -0.0146 -0.0077 -0.0109 1562 GLY 99 HA1 -0.0174 -0.0081 -0.0088 1563 GLY 99 HA2 -0.0138 -0.0097 -0.0141 1564 GLY 99 C -0.0109 -0.0039 -0.0097 1565 GLY 99 O -0.0082 -0.0017 -0.0095 1566 HIS 100 N -0.0003 0.0008 -0.0074 1567 HIS 100 HN -0.0008 -0.0002 -0.0075 1568 HIS 100 CA -0.0001 0.0013 -0.0076 1569 HIS 100 HA 0.0001 0.0020 -0.0086 1570 HIS 100 CB -0.0007 0.0001 -0.0080 1571 HIS 100 HB1 -0.0006 0.0005 -0.0082 1572 HIS 100 HB2 -0.0010 -0.0007 -0.0070 1573 HIS 100 CD2 -0.0013 -0.0000 -0.0108 1574 HIS 100 HD2 -0.0009 0.0010 -0.0113 1575 HIS 100 CG -0.0013 -0.0006 -0.0094 1576 HIS 100 NE2 -0.0020 -0.0012 -0.0117 1577 HIS 100 HE2 -0.0022 -0.0011 -0.0128 1578 HIS 100 ND1 -0.0021 -0.0020 -0.0093 1579 HIS 100 HD1 -0.0022 -0.0027 -0.0084 1580 HIS 100 CE1 -0.0025 -0.0023 -0.0107 1581 HIS 100 HE1 -0.0031 -0.0033 -0.0111 1582 HIS 100 C 0.0005 0.0020 -0.0063 1583 HIS 100 O 0.0005 0.0014 -0.0050 1584 VAL 101 N 0.0010 0.0010 -0.0018 1585 VAL 101 HN 0.0012 0.0011 -0.0024 1586 VAL 101 CA 0.0015 0.0015 -0.0010 1587 VAL 101 HA 0.0015 0.0015 -0.0006 1588 VAL 101 CB 0.0023 0.0020 -0.0015 1589 VAL 101 HB 0.0022 0.0019 -0.0020 1590 VAL 101 CG1 0.0028 0.0025 -0.0008 1591 VAL 101 HG11 0.0027 0.0024 -0.0004 1592 VAL 101 HG12 0.0029 0.0026 -0.0003 1593 VAL 101 HG13 0.0033 0.0029 -0.0011 1594 VAL 101 CG2 0.0025 0.0022 -0.0020 1595 VAL 101 HG21 0.0026 0.0022 -0.0015 1596 VAL 101 HG22 0.0022 0.0018 -0.0025 1597 VAL 101 HG23 0.0031 0.0025 -0.0023 1598 VAL 101 C 0.0012 0.0014 -0.0004 1599 VAL 101 O 0.0009 0.0011 -0.0007 1600 SER 102 N 0.0055 -0.0027 0.0011 1601 SER 102 HN 0.0046 -0.0027 0.0014 1602 SER 102 CA 0.0059 -0.0019 0.0000 1603 SER 102 HA 0.0068 -0.0019 -0.0003 1604 SER 102 CB 0.0062 -0.0020 0.0000 1605 SER 102 HB1 0.0068 -0.0027 0.0006 1606 SER 102 HB2 0.0067 -0.0015 -0.0007 1607 SER 102 OG 0.0050 -0.0019 0.0003 1608 SER 102 HG1 0.0048 -0.0025 0.0011 1609 SER 102 C 0.0050 -0.0010 -0.0007 1610 SER 102 O 0.0044 -0.0009 -0.0007 1611 THR 103 N 0.0070 -0.0039 -0.0020 1612 THR 103 HN 0.0076 -0.0040 -0.0020 1613 THR 103 CA 0.0059 -0.0030 -0.0032 1614 THR 103 HA 0.0047 -0.0031 -0.0027 1615 THR 103 CB 0.0067 -0.0024 -0.0043 1616 THR 103 HB 0.0069 -0.0028 -0.0037 1617 THR 103 OG1 0.0056 -0.0015 -0.0054 1618 THR 103 HG1 0.0061 -0.0013 -0.0059 1619 THR 103 CG2 0.0084 -0.0022 -0.0050 1620 THR 103 HG21 0.0089 -0.0018 -0.0058 1621 THR 103 HG22 0.0093 -0.0029 -0.0042 1622 THR 103 HG23 0.0082 -0.0018 -0.0057 1623 THR 103 C 0.0057 -0.0025 -0.0038 1624 THR 103 O 0.0068 -0.0027 -0.0038 1625 LYS 104 N 0.0024 0.0016 -0.0022 1626 LYS 104 HN 0.0016 0.0022 -0.0023 1627 LYS 104 CA 0.0007 0.0030 -0.0024 1628 LYS 104 HA 0.0024 0.0033 -0.0033 1629 LYS 104 CB -0.0015 0.0012 -0.0004 1630 LYS 104 HB1 -0.0000 -0.0009 0.0003 1631 LYS 104 HB2 -0.0024 0.0022 -0.0006 1632 LYS 104 CG -0.0042 0.0005 0.0011 1633 LYS 104 HG1 -0.0060 0.0025 0.0006 1634 LYS 104 HG2 -0.0034 -0.0001 0.0012 1635 LYS 104 CD -0.0058 -0.0018 0.0032 1636 LYS 104 HD1 -0.0041 -0.0039 0.0038 1637 LYS 104 HD2 -0.0063 -0.0012 0.0031 1638 LYS 104 CE -0.0088 -0.0022 0.0047 1639 LYS 104 HE1 -0.0104 -0.0001 0.0040 1640 LYS 104 HE2 -0.0083 -0.0028 0.0049 1641 LYS 104 NZ -0.0104 -0.0043 0.0066 1642 LYS 104 HZ1 -0.0128 -0.0036 0.0072 1643 LYS 104 HZ2 -0.0102 -0.0043 0.0066 1644 LYS 104 HZ3 -0.0098 -0.0064 0.0077 1645 LYS 104 C -0.0011 0.0060 -0.0035 1646 LYS 104 O -0.0016 0.0067 -0.0038 1647 GLU 105 N 0.0032 0.0032 -0.0027 1648 GLU 105 HN 0.0057 0.0035 -0.0031 1649 GLU 105 CA -0.0012 0.0063 -0.0069 1650 GLU 105 HA -0.0017 0.0068 -0.0075 1651 GLU 105 CB 0.0010 0.0101 -0.0120 1652 GLU 105 HB1 0.0015 0.0098 -0.0115 1653 GLU 105 HB2 0.0058 0.0108 -0.0129 1654 GLU 105 CG -0.0035 0.0136 -0.0165 1655 GLU 105 HG1 -0.0042 0.0139 -0.0170 1656 GLU 105 HG2 -0.0083 0.0132 -0.0160 1657 GLU 105 CD -0.0008 0.0173 -0.0216 1658 GLU 105 OE1 0.0024 0.0194 -0.0243 1659 GLU 105 OE2 -0.0019 0.0182 -0.0227 1660 GLU 105 C -0.0078 0.0052 -0.0053 1661 GLU 105 O -0.0082 0.0036 -0.0033 1662 HIS 106 N -0.0093 0.0119 -0.0006 1663 HIS 106 HN -0.0027 0.0157 -0.0005 1664 HIS 106 CA -0.0150 0.0108 0.0001 1665 HIS 106 HA -0.0119 0.0166 0.0013 1666 HIS 106 CB -0.0265 0.0126 0.0026 1667 HIS 106 HB1 -0.0299 0.0122 0.0030 1668 HIS 106 HB2 -0.0306 0.0070 0.0015 1669 HIS 106 CD2 -0.0331 0.0252 0.0075 1670 HIS 106 HD2 -0.0367 0.0207 0.0068 1671 HIS 106 CG -0.0284 0.0226 0.0059 1672 HIS 106 NE2 -0.0320 0.0353 0.0104 1673 HIS 106 HE2 -0.0331 0.0394 0.0119 1674 HIS 106 ND1 -0.0246 0.0307 0.0078 1675 HIS 106 HD1 -0.0209 0.0310 0.0072 1676 HIS 106 CE1 -0.0269 0.0383 0.0105 1677 HIS 106 HE1 -0.0247 0.0459 0.0124 1678 HIS 106 C -0.0134 0.0015 -0.0031 1679 HIS 106 O -0.0128 -0.0065 -0.0056 1680 HIS 107 N -0.0117 0.0062 0.0010 1681 HIS 107 HN -0.0121 0.0080 0.0011 1682 HIS 107 CA -0.0118 0.0048 0.0012 1683 HIS 107 HA -0.0103 0.0038 0.0005 1684 HIS 107 CB -0.0121 0.0066 0.0012 1685 HIS 107 HB1 -0.0136 0.0079 0.0018 1686 HIS 107 HB2 -0.0107 0.0077 0.0004 1687 HIS 107 CD2 -0.0145 0.0050 0.0026 1688 HIS 107 HD2 -0.0161 0.0056 0.0034 1689 HIS 107 CG -0.0125 0.0053 0.0015 1690 HIS 107 NE2 -0.0139 0.0036 0.0024 1691 HIS 107 HE2 -0.0150 0.0029 0.0030 1692 HIS 107 ND1 -0.0108 0.0042 0.0007 1693 HIS 107 HD1 -0.0092 0.0042 -0.0001 1694 HIS 107 CE1 -0.0118 0.0032 0.0013 1695 HIS 107 HE1 -0.0109 0.0021 0.0010 1696 HIS 107 C -0.0136 0.0029 0.0023 1697 HIS 107 O -0.0154 0.0034 0.0032 1698 ASP 108 N -0.0136 0.0049 0.0040 1699 ASP 108 HN -0.0120 0.0045 0.0033 1700 ASP 108 CA -0.0153 0.0029 0.0046 1701 ASP 108 HA -0.0171 0.0036 0.0053 1702 ASP 108 CB -0.0152 0.0016 0.0046 1703 ASP 108 HB1 -0.0135 0.0006 0.0039 1704 ASP 108 HB2 -0.0152 0.0032 0.0046 1705 ASP 108 CG -0.0172 -0.0001 0.0054 1706 ASP 108 OD1 -0.0186 -0.0008 0.0060 1707 ASP 108 OD2 -0.0172 -0.0009 0.0054 1708 ASP 108 C -0.0147 0.0010 0.0044 1709 ASP 108 O -0.0128 0.0010 0.0037 1710 HIS 109 N -0.0147 0.0042 0.0035 1711 HIS 109 HN -0.0164 0.0043 0.0038 1712 HIS 109 CA -0.0145 0.0005 0.0050 1713 HIS 109 HA -0.0140 0.0012 0.0046 1714 HIS 109 CB -0.0187 -0.0016 0.0069 1715 HIS 109 HB1 -0.0182 -0.0048 0.0081 1716 HIS 109 HB2 -0.0200 -0.0015 0.0072 1717 HIS 109 CD2 -0.0258 0.0025 0.0069 1718 HIS 109 HD2 -0.0276 0.0031 0.0070 1719 HIS 109 CG -0.0219 0.0005 0.0068 1720 HIS 109 NE2 -0.0275 0.0039 0.0067 1721 HIS 109 HE2 -0.0304 0.0055 0.0067 1722 HIS 109 ND1 -0.0212 0.0007 0.0065 1723 HIS 109 HD1 -0.0186 -0.0004 0.0064 1724 HIS 109 CE1 -0.0247 0.0028 0.0065 1725 HIS 109 HE1 -0.0250 0.0035 0.0062 1726 HIS 109 C -0.0107 -0.0024 0.0053 1727 HIS 109 O -0.0092 -0.0049 0.0060 1728 ASP 110 N -0.0105 0.0005 0.0070 1729 ASP 110 HN -0.0115 0.0010 0.0077 1730 ASP 110 CA -0.0095 -0.0008 0.0060 1731 ASP 110 HA -0.0096 -0.0023 0.0058 1732 ASP 110 CB -0.0100 -0.0011 0.0064 1733 ASP 110 HB1 -0.0091 -0.0019 0.0056 1734 ASP 110 HB2 -0.0101 0.0004 0.0067 1735 ASP 110 CG -0.0117 -0.0023 0.0073 1736 ASP 110 OD1 -0.0125 -0.0032 0.0076 1737 ASP 110 OD2 -0.0122 -0.0024 0.0076 1738 ASP 110 C -0.0077 -0.0000 0.0049 1739 ASP 110 O -0.0066 -0.0011 0.0040 1740 THR 111 N -0.0060 -0.0015 0.0037 1741 THR 111 HN -0.0068 -0.0008 0.0040 1742 THR 111 CA -0.0047 -0.0007 0.0030 1743 THR 111 HA -0.0038 -0.0014 0.0027 1744 THR 111 CB -0.0045 0.0008 0.0028 1745 THR 111 HB -0.0035 0.0012 0.0023 1746 THR 111 OG1 -0.0055 0.0020 0.0031 1747 THR 111 HG1 -0.0051 0.0023 0.0029 1748 THR 111 CG2 -0.0048 0.0006 0.0030 1749 THR 111 HG21 -0.0059 0.0003 0.0035 1750 THR 111 HG22 -0.0047 0.0017 0.0028 1751 THR 111 HG23 -0.0041 -0.0003 0.0027 1752 THR 111 C -0.0046 -0.0004 0.0030 1753 THR 111 O -0.0037 0.0004 0.0025 1754 THR 112 N -0.0060 0.0020 0.0020 1755 THR 112 HN -0.0066 0.0014 0.0021 1756 THR 112 CA -0.0059 0.0019 0.0020 1757 THR 112 HA -0.0051 0.0024 0.0018 1758 THR 112 CB -0.0071 0.0024 0.0022 1759 THR 112 HB -0.0079 0.0018 0.0024 1760 THR 112 OG1 -0.0073 0.0036 0.0023 1761 THR 112 HG1 -0.0075 0.0037 0.0024 1762 THR 112 CG2 -0.0070 0.0023 0.0022 1763 THR 112 HG21 -0.0061 0.0029 0.0021 1764 THR 112 HG22 -0.0078 0.0028 0.0024 1765 THR 112 HG23 -0.0069 0.0013 0.0021 1766 THR 112 C -0.0058 0.0005 0.0019 1767 THR 112 O -0.0065 -0.0003 0.0019 1768 PHE 113 N -0.0032 0.0038 0.0018 1769 PHE 113 HN -0.0028 0.0042 0.0018 1770 PHE 113 CA -0.0030 0.0030 0.0015 1771 PHE 113 HA -0.0034 0.0025 0.0015 1772 PHE 113 CB -0.0022 0.0028 0.0011 1773 PHE 113 HB1 -0.0021 0.0021 0.0008 1774 PHE 113 HB2 -0.0017 0.0032 0.0010 1775 PHE 113 CG -0.0024 0.0028 0.0012 1776 PHE 113 CD1 -0.0019 0.0033 0.0011 1777 PHE 113 HD1 -0.0013 0.0037 0.0010 1778 PHE 113 CE1 -0.0020 0.0034 0.0012 1779 PHE 113 HE1 -0.0016 0.0038 0.0011 1780 PHE 113 CZ -0.0027 0.0030 0.0014 1781 PHE 113 HZ -0.0028 0.0031 0.0014 1782 PHE 113 CD2 -0.0031 0.0024 0.0013 1783 PHE 113 HD2 -0.0035 0.0021 0.0014 1784 PHE 113 CE2 -0.0032 0.0025 0.0014 1785 PHE 113 HE2 -0.0038 0.0022 0.0016 1786 PHE 113 C -0.0027 0.0030 0.0014 1787 PHE 113 O -0.0026 0.0037 0.0015 1788 GLU 114 N -0.0057 0.0063 -0.0011 1789 GLU 114 HN -0.0058 0.0066 -0.0012 1790 GLU 114 CA -0.0053 0.0054 -0.0012 1791 GLU 114 HA -0.0051 0.0052 -0.0009 1792 GLU 114 CB -0.0058 0.0049 -0.0021 1793 GLU 114 HB1 -0.0055 0.0042 -0.0022 1794 GLU 114 HB2 -0.0060 0.0050 -0.0024 1795 GLU 114 CG -0.0062 0.0053 -0.0026 1796 GLU 114 HG1 -0.0065 0.0060 -0.0026 1797 GLU 114 HG2 -0.0059 0.0053 -0.0022 1798 GLU 114 CD -0.0065 0.0047 -0.0034 1799 GLU 114 OE1 -0.0068 0.0049 -0.0038 1800 GLU 114 OE2 -0.0065 0.0042 -0.0037 1801 GLU 114 C -0.0049 0.0050 -0.0009 1802 GLU 114 O -0.0050 0.0054 -0.0007 1803 GLU 115 N -0.0070 0.0081 -0.0033 1804 GLU 115 HN -0.0069 0.0077 -0.0034 1805 GLU 115 CA -0.0067 0.0076 -0.0028 1806 GLU 115 HA -0.0065 0.0080 -0.0022 1807 GLU 115 CB -0.0063 0.0066 -0.0026 1808 GLU 115 HB1 -0.0061 0.0062 -0.0024 1809 GLU 115 HB2 -0.0065 0.0062 -0.0032 1810 GLU 115 CG -0.0060 0.0066 -0.0018 1811 GLU 115 HG1 -0.0062 0.0071 -0.0020 1812 GLU 115 HG2 -0.0058 0.0070 -0.0012 1813 GLU 115 CD -0.0057 0.0056 -0.0016 1814 GLU 115 OE1 -0.0054 0.0050 -0.0015 1815 GLU 115 OE2 -0.0056 0.0055 -0.0016 1816 GLU 115 C -0.0069 0.0075 -0.0033 1817 GLU 115 O -0.0072 0.0075 -0.0042 1818 ILE 116 N -0.0048 0.0073 -0.0042 1819 ILE 116 HN -0.0040 0.0076 -0.0031 1820 ILE 116 CA -0.0046 0.0067 -0.0035 1821 ILE 116 HA -0.0054 0.0067 -0.0048 1822 ILE 116 CB -0.0033 0.0082 -0.0023 1823 ILE 116 HB -0.0025 0.0084 -0.0011 1824 ILE 116 CG2 -0.0031 0.0103 -0.0037 1825 ILE 116 HG21 -0.0034 0.0108 -0.0045 1826 ILE 116 HG22 -0.0021 0.0115 -0.0029 1827 ILE 116 HG23 -0.0038 0.0102 -0.0048 1828 ILE 116 CG1 -0.0031 0.0074 -0.0013 1829 ILE 116 HG11 -0.0038 0.0072 -0.0024 1830 ILE 116 HG12 -0.0032 0.0059 -0.0003 1831 ILE 116 CD -0.0017 0.0089 -0.0000 1832 ILE 116 HD1 -0.0009 0.0091 0.0011 1833 ILE 116 HD2 -0.0016 0.0082 0.0007 1834 ILE 116 HD3 -0.0015 0.0104 -0.0009 1835 ILE 116 C -0.0049 0.0045 -0.0023 1836 ILE 116 O -0.0044 0.0040 -0.0011 1837 ILE 117 N -0.0113 -0.0022 0.0057 1838 ILE 117 HN -0.0098 -0.0024 0.0069 1839 ILE 117 CA -0.0176 -0.0036 0.0095 1840 ILE 117 HA -0.0202 -0.0029 0.0063 1841 ILE 117 CB -0.0233 -0.0042 0.0108 1842 ILE 117 HB -0.0205 -0.0047 0.0133 1843 ILE 117 CG2 -0.0293 -0.0060 0.0160 1844 ILE 117 HG21 -0.0335 -0.0064 0.0166 1845 ILE 117 HG22 -0.0270 -0.0072 0.0214 1846 ILE 117 HG23 -0.0320 -0.0056 0.0140 1847 ILE 117 CG1 -0.0270 -0.0026 0.0036 1848 ILE 117 HG11 -0.0272 -0.0017 -0.0002 1849 ILE 117 HG12 -0.0328 -0.0033 0.0047 1850 ILE 117 CD -0.0233 -0.0015 -0.0000 1851 ILE 117 HD1 -0.0176 -0.0007 -0.0016 1852 ILE 117 HD2 -0.0232 -0.0024 0.0037 1853 ILE 117 HD3 -0.0265 -0.0004 -0.0048 1854 ILE 117 C -0.0150 -0.0052 0.0164 1855 ILE 117 O -0.0104 -0.0059 0.0203 1856 ILE 118 N -0.0248 -0.0026 0.0199 1857 ILE 118 HN -0.0313 0.0010 0.0141 1858 ILE 118 CA -0.0320 -0.0155 0.0597 1859 ILE 118 HA -0.0098 -0.0101 0.0307 1860 ILE 118 CB -0.0142 -0.0041 0.0173 1861 ILE 118 HB -0.0232 -0.0008 0.0138 1862 ILE 118 CG2 -0.0068 -0.0083 0.0241 1863 ILE 118 HG21 -0.0035 -0.0066 0.0173 1864 ILE 118 HG22 -0.0133 -0.0096 0.0317 1865 ILE 118 HG23 0.0019 -0.0119 0.0284 1866 ILE 118 CG1 -0.0059 -0.0017 0.0053 1867 ILE 118 HG11 -0.0032 -0.0001 -0.0008 1868 ILE 118 HG12 -0.0121 0.0018 -0.0003 1869 ILE 118 CD 0.0065 -0.0055 0.0078 1870 ILE 118 HD1 0.0117 -0.0034 -0.0012 1871 ILE 118 HD2 0.0135 -0.0090 0.0129 1872 ILE 118 HD3 0.0042 -0.0071 0.0137 1873 ILE 118 C -0.0280 -0.0081 0.0369 1874 ILE 118 OT1 -0.0393 -0.0047 0.0349 1875 ILE 118 OT2 -0.0356 -0.0045 0.0320