#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtc s TYR 259 N 0.00 2.38 0.16 3.17 1.51 -1.26 -5.07 117.35 118.24 3mtc s TYR 259 Ca 0.00 -0.39 0.11 0.00 -1.01 0.00 0.00 57.07 55.77 3mtc s TYR 259 Cb 0.00 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3mtc s TYR 259 CO 0.00 0.04 -0.22 0.95 -1.11 0.00 0.00 175.55 175.21 3mtc s THR 260 N -0.69 2.50 0.05 -0.71 -4.23 -1.26 -0.44 115.64 110.86 3mtc s THR 260 Ca 0.11 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3mtc s THR 260 Cb -0.10 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 3mtc s THR 260 CO 0.00 -0.02 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.33 3mtc s TYR 261 N -1.41 0.45 -0.15 3.99 -0.85 -0.01 -4.91 117.35 114.45 3mtc s TYR 261 Ca 0.19 -0.93 -0.28 0.00 -0.52 0.00 0.00 57.07 55.52 3mtc s TYR 261 Cb -0.09 -0.33 -0.01 0.00 0.38 0.00 0.00 41.96 41.91 3mtc s TYR 261 CO 0.09 -0.36 0.97 0.42 -1.52 0.00 0.00 175.55 175.15 3mtc s ILE 262 N -3.46 4.79 -0.07 -3.49 -1.09 -1.26 -0.35 121.20 116.27 3mtc s ILE 262 Ca 0.03 1.93 0.04 0.00 -2.23 0.00 0.00 60.65 60.42 3mtc s ILE 262 Cb 0.05 -4.26 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 3mtc s ILE 262 CO -0.08 -0.03 -0.21 -1.58 -1.23 0.00 0.00 174.94 171.80 3mtc s GLN 263 N 2.33 2.50 0.04 2.79 0.74 -0.12 -4.89 119.66 123.04 3mtc s GLN 263 Ca 0.44 -0.77 -0.28 0.00 0.05 0.00 0.00 55.36 54.81 3mtc s GLN 263 Cb -0.17 -2.00 -0.05 0.00 1.10 0.00 0.00 33.01 31.90 3mtc s GLN 263 CO 0.14 0.22 0.88 -0.80 -0.55 0.00 0.00 175.29 175.17 3mtc s ASN 264 N 0.21 7.31 0.13 6.67 0.01 -1.26 -0.34 114.94 127.67 3mtc s ASN 264 Ca -0.12 1.58 0.08 0.00 -0.71 0.00 0.00 52.86 53.69 3mtc s ASN 264 Cb -0.15 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 3mtc s ASN 264 CO 0.06 -0.11 -0.20 -0.36 -1.51 0.00 0.00 177.10 174.98 3mtc s PHE 265 N 0.39 1.79 -0.26 2.20 0.08 -0.02 -4.93 117.98 117.23 3mtc s PHE 265 Ca 0.45 -0.44 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 3mtc s PHE 265 Cb -0.21 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3mtc s PHE 265 CO 0.26 0.25 0.39 1.03 -0.10 0.00 0.00 175.22 177.05 3mtc s ARG 266 N -2.27 4.05 -0.16 0.44 0.52 -1.26 -0.89 118.95 119.37 3mtc s ARG 266 Ca 0.10 0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.37 3mtc s ARG 266 Cb -0.08 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 3mtc s ARG 266 CO 0.05 -0.24 -0.07 -0.06 0.02 0.00 0.00 175.30 175.00 3mtc s PHE 267 N 1.94 2.93 -0.18 -0.53 0.08 -0.46 -0.38 117.98 121.38 3mtc s PHE 267 Ca 0.16 -0.58 -0.09 0.00 0.12 0.00 0.00 56.93 56.54 3mtc s PHE 267 Cb -0.16 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3mtc s PHE 267 CO 0.09 -0.23 0.13 0.12 -0.10 0.00 0.00 175.22 175.24 3mtc s PHE 268 N 0.63 3.46 -0.08 0.36 5.36 0.35 -0.66 117.98 127.41 3mtc s PHE 268 Ca -0.04 0.39 0.04 0.00 -0.96 0.00 0.00 56.93 56.35 3mtc s PHE 268 Cb -0.15 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.44 3mtc s PHE 268 CO 0.03 0.43 -0.20 0.00 -1.46 0.00 0.00 175.22 174.02 3mtc s ALA 269 N -0.06 1.81 0.01 11.12 0.00 0.06 -0.46 121.76 134.24 3mtc s ALA 269 Ca 0.10 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.33 3mtc s ALA 269 Cb -0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3mtc s ALA 269 CO -0.00 0.24 -0.12 0.20 0.00 0.00 0.00 175.76 176.08 3mtc s GLY 270 N 0.39 0.62 -0.01 0.00 0.00 -0.08 -0.75 107.32 107.49 3mtc s GLY 270 Ca -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3mtc s GLY 270 CO 0.06 -0.57 -0.08 -1.08 0.00 0.00 0.00 173.10 171.43 3mtc s THR 271 N -0.56 0.66 -0.22 0.90 -1.32 -0.48 -1.03 115.64 113.59 3mtc s THR 271 Ca 0.02 -0.34 -0.04 0.00 -1.21 0.00 0.00 61.69 60.12 3mtc s THR 271 Cb -0.06 -0.57 0.12 0.00 -1.51 0.00 0.00 72.50 70.48 3mtc s THR 271 CO 0.00 0.20 0.39 -0.47 -2.21 0.00 0.00 174.62 172.53 3mtc s TYR 272 N -0.07 -0.80 -0.34 9.09 5.04 -0.43 -0.93 117.35 128.90 3mtc s TYR 272 Ca 0.01 1.09 -0.25 0.00 -2.44 0.00 0.00 57.07 55.48 3mtc s TYR 272 Cb -0.05 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.39 3mtc s TYR 272 CO -0.00 -0.62 0.89 1.21 -1.34 0.00 0.00 175.55 175.68 3mtc s ASN 273 N 2.57 6.70 -0.05 4.32 3.84 -1.26 -1.64 114.94 129.41 3mtc s ASN 273 Ca 0.07 0.66 0.19 0.00 0.21 0.00 0.00 52.86 53.99 3mtc s ASN 273 Cb -0.14 -2.45 0.60 0.00 -0.55 0.00 0.00 41.25 38.71 3mtc s ASN 273 CO -0.14 -0.76 1.51 1.33 -2.79 0.00 0.00 177.10 176.24 3mtc n VAL 274 N 5.78 1.35 -4.12 -5.21 0.24 -0.52 -4.21 118.33 111.65 3mtc n VAL 274 Ca 0.06 -1.11 -0.35 0.00 -2.04 0.00 0.00 64.34 60.90 3mtc n VAL 274 Cb 0.48 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 3mtc n VAL 274 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3mtc n ASN 275 N 1.15 -3.11 0.00 -1.34 5.15 -1.25 -1.33 115.26 114.52 3mtc n ASN 275 Ca 0.22 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 3mtc n ASN 275 Cb 0.69 -2.57 0.00 0.00 -0.53 0.00 0.00 39.78 37.37 3mtc n ASN 275 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mtc n GLY 276 N -1.28 0.49 3.89 8.20 0.00 0.11 -4.97 105.19 111.64 3mtc n GLY 276 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3mtc n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mtc s GLN 277 N -0.40 3.63 0.47 1.61 -1.52 -0.44 -4.62 119.66 118.38 3mtc s GLN 277 Ca 0.00 0.30 -0.19 0.00 -1.95 0.00 0.00 55.36 53.52 3mtc s GLN 277 Cb 0.00 -2.39 -0.09 0.00 -0.22 0.00 0.00 33.01 30.30 3mtc s GLN 277 CO 0.00 -0.13 0.97 -1.12 -0.25 0.00 0.00 175.29 174.76 3mtc s SER 278 N -3.71 6.78 0.14 5.90 0.01 -1.26 -4.93 113.70 116.63 3mtc s SER 278 Ca 0.49 1.64 -0.31 0.00 1.31 0.00 0.00 55.95 59.08 3mtc s SER 278 Cb -0.10 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 3mtc s SER 278 CO 0.39 -0.48 1.43 -2.16 0.41 0.00 0.00 173.24 172.84 3mtc s PRO 279 N -3.60 4.30 -0.00 12.44 0.04 -1.26 -4.90 135.00 142.01 3mtc s PRO 279 Ca 0.61 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.84 3mtc s PRO 279 Cb -0.10 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 3mtc s PRO 279 CO 0.22 -0.47 0.10 1.63 0.04 0.00 0.00 177.00 178.53 3mtc n LYS 280 N 3.77 1.61 -4.34 4.56 5.02 -1.26 -5.06 118.16 122.45 3mtc n LYS 280 Ca 0.11 -0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 56.11 3mtc n LYS 280 Cb 0.41 -0.98 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 3mtc n LYS 280 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mtc s GLU 281 N -2.03 1.83 0.27 1.97 2.02 -1.26 -5.10 118.70 116.40 3mtc s GLU 281 Ca -0.01 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 53.34 3mtc s GLU 281 Cb 0.03 -2.04 -0.11 0.00 0.10 0.00 0.00 34.13 32.11 3mtc s GLU 281 CO 0.16 0.43 1.51 0.00 0.02 0.00 0.00 175.26 177.38 3mtc n LEU 283 N 2.29 1.88 -0.30 0.00 4.77 -1.26 -4.06 117.00 120.32 3mtc n LEU 283 Ca 0.08 -0.69 0.14 0.00 -0.03 0.00 0.00 56.01 55.51 3mtc n LEU 283 Cb 0.39 -0.05 0.39 0.00 -2.33 0.00 0.00 43.42 41.82 3mtc n LEU 283 CO 0.62 0.35 1.22 0.03 -1.33 0.00 0.00 177.39 178.27 3mtc h ARG 284 N 2.75 0.62 -0.01 3.23 3.08 -1.89 0.16 114.38 122.34 3mtc h ARG 284 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3mtc h ARG 284 Cb 0.59 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3mtc h ARG 284 CO 0.00 0.41 0.03 -0.07 -1.07 0.00 0.00 179.97 179.27 3mtc h LEU 285 N 0.64 0.00 0.00 3.04 3.38 -1.85 -1.10 115.31 119.43 3mtc h LEU 285 Ca 0.50 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 58.05 3mtc h LEU 285 Cb 0.92 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3mtc h LEU 285 CO -0.26 0.00 -2.33 1.87 0.09 0.00 0.00 178.44 177.82 3mtc n TRP 286 N -3.25 0.20 0.03 1.13 -0.00 0.15 -4.63 117.44 111.06 3mtc n TRP 286 Ca -0.03 0.08 0.09 0.00 -0.00 0.00 0.00 57.50 57.64 3mtc n TRP 286 Cb 0.10 -1.02 -0.09 0.00 -0.00 0.00 0.00 31.31 30.30 3mtc n TRP 286 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3mtc n LEU 287 N -4.16 0.41 -2.85 5.87 4.77 0.33 -4.59 117.00 116.79 3mtc n LEU 287 Ca -0.50 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.53 3mtc n LEU 287 Cb 0.87 0.01 0.04 0.00 -2.33 0.00 0.00 43.42 42.01 3mtc n LEU 287 CO 0.09 -0.03 0.14 -1.54 -1.33 0.00 0.00 177.39 174.72 3mtc n SER 288 N -2.51 -1.87 -4.17 -1.43 3.41 -0.44 -4.55 113.62 102.06 3mtc n SER 288 Ca -0.05 -3.36 -0.40 0.00 -0.26 0.00 0.00 58.87 54.81 3mtc n SER 288 Cb 0.62 1.29 -0.07 0.00 -0.26 0.00 0.00 64.21 65.78 3mtc n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3mtc s ASN 289 N -1.56 5.70 -1.23 4.04 2.47 -1.04 -4.65 114.94 118.67 3mtc s ASN 289 Ca 0.29 -2.78 -0.08 0.00 0.42 0.00 0.00 52.86 50.71 3mtc s ASN 289 Cb 0.26 -1.96 0.01 0.00 -1.45 0.00 0.00 41.25 38.11 3mtc s ASN 289 CO -0.14 -0.44 1.06 0.61 -3.72 0.00 0.00 177.10 174.48 3mtc n GLY 290 N 3.66 -0.40 3.35 1.21 0.00 -1.26 -5.03 105.19 106.73 3mtc n GLY 290 Ca 0.09 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 3mtc n GLY 290 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mtc s ILE 291 N -3.28 1.81 0.67 -0.61 -4.36 -1.26 -5.14 121.20 109.03 3mtc s ILE 291 Ca 0.53 -2.19 -0.17 0.00 -0.26 0.00 0.00 60.65 58.55 3mtc s ILE 291 Cb -0.23 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.44 3mtc s ILE 291 CO 0.65 -0.55 1.24 -1.10 0.24 0.00 0.00 174.94 175.43 3mtc s GLN 292 N -3.53 2.47 -0.03 0.37 -0.21 -1.26 -4.92 119.66 112.55 3mtc s GLN 292 Ca 0.22 1.90 -0.30 0.00 0.02 0.00 0.00 55.36 57.20 3mtc s GLN 292 Cb -0.02 -1.86 -0.09 0.00 1.00 0.00 0.00 33.01 32.05 3mtc s GLN 292 CO 0.08 -1.62 2.01 0.00 -2.12 0.00 0.00 175.29 173.64 3mtc n ALA 293 N -2.16 1.52 -1.51 6.09 0.00 -1.26 -4.96 120.51 118.23 3mtc n ALA 293 Ca 0.14 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 3mtc n ALA 293 Cb 0.49 -2.70 0.05 0.00 0.00 0.00 0.00 19.45 17.29 3mtc n ALA 293 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mtc s PRO 294 N 4.80 2.74 0.09 0.00 0.02 -1.26 -4.97 135.00 136.41 3mtc s PRO 294 Ca 0.92 1.47 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 3mtc s PRO 294 Cb -0.46 -1.94 -0.23 0.00 0.02 0.00 0.00 34.50 31.89 3mtc s PRO 294 CO 0.42 -1.31 1.18 -0.44 -0.33 0.00 0.00 177.00 176.52 3mtc h ASP 295 N 0.08 0.51 -3.72 2.53 3.32 -1.08 -3.44 116.42 114.63 3mtc h ASP 295 Ca -0.47 -0.50 -0.37 0.00 0.02 0.00 0.00 57.03 55.71 3mtc h ASP 295 Cb 1.26 -0.16 -0.31 0.00 0.22 0.00 0.00 39.33 40.33 3mtc h ASP 295 CO 0.54 1.36 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.96 3mtc s VAL 296 N -2.85 0.48 -0.16 -1.35 1.01 -0.56 -1.40 120.40 115.58 3mtc s VAL 296 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3mtc s VAL 296 Cb 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 3mtc s VAL 296 CO 0.89 0.17 -0.10 -0.31 0.00 0.00 0.00 175.10 175.75 3mtc s TYR 297 N 0.36 2.88 -0.26 5.22 2.02 -0.38 -0.49 117.35 126.71 3mtc s TYR 297 Ca -0.04 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 3mtc s TYR 297 Cb -0.08 -1.92 0.07 0.00 -0.40 0.00 0.00 41.96 39.62 3mtc s TYR 297 CO -0.00 -0.27 -0.06 0.00 -1.57 0.00 0.00 175.55 173.65 3mtc s VAL 299 N 1.23 1.64 0.01 0.00 1.01 -0.44 -0.90 120.40 122.95 3mtc s VAL 299 Ca -0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3mtc s VAL 299 Cb -0.19 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3mtc s VAL 299 CO -0.06 0.45 -0.25 -0.83 0.00 0.00 0.00 175.10 174.41 3mtc s GLY 300 N 1.46 1.27 0.15 4.51 0.00 -0.20 -0.60 107.32 113.91 3mtc s GLY 300 Ca 0.05 -1.14 0.08 0.00 0.00 0.00 0.00 44.72 43.71 3mtc s GLY 300 CO -0.11 -1.00 -0.19 -1.36 0.00 0.00 0.00 173.10 170.44 3mtc s PHE 301 N -0.69 1.82 0.16 1.90 0.08 0.02 -1.32 117.98 119.95 3mtc s PHE 301 Ca 0.10 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 56.78 3mtc s PHE 301 Cb -0.10 -0.93 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 3mtc s PHE 301 CO 0.01 0.30 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.60 3mtc s GLN 302 N -2.55 1.24 -1.44 0.44 1.11 -0.65 -2.32 119.66 115.48 3mtc s GLN 302 Ca 0.13 -1.40 -0.10 0.00 0.01 0.00 0.00 55.36 54.00 3mtc s GLN 302 Cb -0.07 -1.23 0.05 0.00 -1.01 0.00 0.00 33.01 30.75 3mtc s GLN 302 CO 0.06 0.24 0.99 0.39 0.01 0.00 0.00 175.29 176.98 3mtc n GLU 303 N 0.25 -6.06 -0.08 2.91 1.02 -0.86 -1.44 120.64 116.37 3mtc n GLU 303 Ca -0.13 0.67 0.10 0.00 -0.02 0.00 0.00 57.16 57.78 3mtc n GLU 303 Cb 0.57 -5.55 0.47 0.00 -0.02 0.00 0.00 31.44 26.92 3mtc n GLU 303 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3mtc h LEU 304 N -2.19 0.42 -6.75 -4.62 5.85 -1.64 0.32 115.31 106.71 3mtc h LEU 304 Ca -0.58 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 3mtc h LEU 304 Cb 1.37 -0.08 -0.26 0.00 0.37 0.00 0.00 40.66 42.05 3mtc h LEU 304 CO 0.62 0.26 -0.36 -0.62 -0.34 0.00 0.00 178.44 178.00 3mtc s ASP 305 N -6.30 -0.36 0.00 1.25 -1.08 -1.26 -4.50 116.67 104.41 3mtc s ASP 305 Ca -0.08 0.81 0.19 0.00 -0.52 0.00 0.00 52.55 52.95 3mtc s ASP 305 Cb 0.19 1.51 0.52 0.00 -1.46 0.00 0.00 42.92 43.68 3mtc s ASP 305 CO 0.75 -0.26 1.44 0.18 0.52 0.00 0.00 175.17 177.80 3mtc n LEU 306 N 5.40 3.11 -4.79 -1.34 4.77 -1.26 -4.46 117.00 118.42 3mtc n LEU 306 Ca -0.06 -1.52 -0.33 0.00 -0.03 0.00 0.00 56.01 54.07 3mtc n LEU 306 Cb 0.50 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3mtc n LEU 306 CO 0.02 0.76 0.73 -0.94 -1.33 0.00 0.00 177.39 176.63 3mtc s SER 307 N -1.08 5.48 0.39 -1.43 1.04 -1.26 -4.93 113.70 111.90 3mtc s SER 307 Ca 0.39 1.88 0.06 0.00 0.48 0.00 0.00 55.95 58.76 3mtc s SER 307 Cb 0.21 -2.54 0.78 0.00 0.10 0.00 0.00 66.02 64.56 3mtc s SER 307 CO 0.27 -1.38 2.03 0.07 0.98 0.00 0.00 173.24 175.21 3mtc h LYS 308 N 0.21 0.61 -0.55 4.02 2.10 -1.99 -2.23 116.57 118.74 3mtc h LYS 308 Ca -0.47 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.10 3mtc h LYS 308 Cb 1.23 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.40 3mtc h LYS 308 CO 0.56 0.43 0.19 0.93 -2.00 0.00 0.00 179.45 179.56 3mtc h GLU 309 N 0.63 0.84 -0.34 0.07 3.07 -1.97 -1.99 114.58 114.88 3mtc h GLU 309 Ca 0.17 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3mtc h GLU 309 Cb -0.03 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 3mtc h GLU 309 CO -0.03 0.75 -0.25 0.00 -1.40 0.00 0.00 179.01 178.08 3mtc h ALA 310 N 1.05 0.92 -0.88 3.43 0.00 -1.76 -2.60 119.26 119.42 3mtc h ALA 310 Ca 0.18 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3mtc h ALA 310 Cb 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3mtc h ALA 310 CO -0.01 0.62 0.58 0.35 0.00 0.00 0.00 179.25 180.79 3mtc h PHE 311 N 0.60 1.05 -0.47 0.00 3.57 -1.12 -0.86 116.94 119.70 3mtc h PHE 311 Ca 0.08 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 3mtc h PHE 311 Cb 0.74 -0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.04 3mtc h PHE 311 CO 0.03 0.58 0.20 1.19 -2.23 0.00 0.00 178.31 178.09 3mtc n PHE 312 N -4.46 1.54 -1.07 0.41 3.72 -0.78 -4.77 117.46 112.05 3mtc n PHE 312 Ca 0.12 -0.88 -0.02 0.00 -0.05 0.00 0.00 57.45 56.62 3mtc n PHE 312 Cb 0.15 -0.51 -0.01 0.00 -0.94 0.00 0.00 39.48 38.16 3mtc n PHE 312 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3mtc n PHE 313 N -0.07 0.00 -2.01 1.38 3.72 -0.33 -5.03 117.46 115.13 3mtc n PHE 313 Ca 0.26 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.33 3mtc n PHE 313 Cb 1.01 -0.80 0.02 0.00 -0.94 0.00 0.00 39.48 38.77 3mtc n PHE 313 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3mtc s HIS 314 N -2.07 2.87 0.65 1.38 3.76 -1.01 -5.02 115.29 115.85 3mtc s HIS 314 Ca 0.00 1.53 -0.18 0.00 -0.15 0.00 0.00 55.06 56.26 3mtc s HIS 314 Cb 0.00 -3.07 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 3mtc s HIS 314 CO 0.00 -1.28 1.29 -0.51 -0.85 0.00 0.00 174.74 173.39 3mtc s ASP 315 N -2.63 4.60 -0.01 1.40 1.01 -1.26 -4.59 116.67 115.20 3mtc s ASP 315 Ca 0.65 2.62 0.02 0.00 0.71 0.00 0.00 52.55 56.55 3mtc s ASP 315 Cb -0.18 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.13 3mtc s ASP 315 CO 0.37 -2.01 -0.05 0.28 0.21 0.00 0.00 175.17 173.97 3mtc s THR 316 N -1.40 0.43 -0.37 -1.27 -1.32 -1.26 -4.88 115.64 105.57 3mtc s THR 316 Ca 0.83 -0.23 0.25 0.00 -1.21 0.00 0.00 61.69 61.33 3mtc s THR 316 Cb -0.37 -0.37 0.26 0.00 -1.51 0.00 0.00 72.50 70.51 3mtc s THR 316 CO 0.40 0.12 1.75 1.55 -2.21 0.00 0.00 174.62 176.23 3mtc h PRO 317 N 6.05 0.00 -0.38 7.08 0.13 -2.00 -2.85 132.00 140.03 3mtc h PRO 317 Ca -0.28 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.91 3mtc h PRO 317 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3mtc h PRO 317 CO 0.50 0.00 0.26 0.87 -0.23 0.00 0.00 178.00 179.40 3mtc h LYS 318 N 0.00 0.22 0.66 0.86 1.79 -1.95 -1.73 116.57 116.42 3mtc h LYS 318 Ca 0.00 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3mtc h LYS 318 Cb 0.34 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3mtc h LYS 318 CO 0.00 0.15 -0.46 1.49 -1.08 0.00 0.00 179.45 179.54 3mtc h GLU 319 N 0.23 -1.04 -0.54 3.15 4.81 -1.86 -1.77 114.58 117.56 3mtc h GLU 319 Ca 0.17 0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3mtc h GLU 319 Cb 0.39 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3mtc h GLU 319 CO -0.03 -0.69 0.15 1.49 -0.73 0.00 0.00 179.01 179.20 3mtc h GLU 320 N -1.08 0.85 -0.20 1.92 4.22 -1.72 -1.08 114.58 117.50 3mtc h GLU 320 Ca -0.08 -0.19 0.05 0.00 0.08 0.00 0.00 59.36 59.21 3mtc h GLU 320 Cb 0.89 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 3mtc h GLU 320 CO 0.05 0.79 -0.16 0.93 -2.18 0.00 0.00 179.01 178.44 3mtc h GLU 321 N 0.76 -0.16 -0.19 1.92 5.08 -1.25 0.68 114.58 121.42 3mtc h GLU 321 Ca 0.17 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 3mtc h GLU 321 Cb 0.31 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3mtc h GLU 321 CO -0.00 -0.10 -0.63 -1.49 -1.00 0.00 0.00 179.01 175.78 3mtc h TRP 322 N -0.16 0.88 -0.49 4.33 4.06 -1.29 -1.77 115.95 121.51 3mtc h TRP 322 Ca 0.12 -0.34 0.03 0.00 2.06 0.00 0.00 58.89 60.75 3mtc h TRP 322 Cb 0.34 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 3mtc h TRP 322 CO -0.30 1.13 0.28 0.35 -3.56 0.00 0.00 178.44 176.34 3mtc h PHE 323 N 0.50 0.53 -0.56 0.49 3.57 -0.91 -0.60 116.94 119.96 3mtc h PHE 323 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3mtc h PHE 323 Cb 1.22 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3mtc h PHE 323 CO 0.06 0.29 0.32 -0.22 -2.23 0.00 0.00 178.31 176.54 3mtc h LYS 324 N 0.56 0.77 -0.83 1.11 1.63 -0.80 -1.31 116.57 117.69 3mtc h LYS 324 Ca 0.20 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3mtc h LYS 324 Cb 0.04 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.47 3mtc h LYS 324 CO -0.10 0.57 0.41 0.00 -3.45 0.00 0.00 179.45 176.88 3mtc h ALA 325 N 1.15 1.07 -0.13 5.00 0.00 -0.83 -1.58 119.26 123.94 3mtc h ALA 325 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mtc h ALA 325 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3mtc h ALA 325 CO -0.03 0.63 0.03 0.28 0.00 0.00 0.00 179.25 180.16 3mtc h VAL 326 N 1.18 1.20 -0.90 0.00 2.07 -0.95 -2.31 116.25 116.55 3mtc h VAL 326 Ca 0.29 -0.63 0.13 0.00 0.82 0.00 0.00 66.70 67.31 3mtc h VAL 326 Cb 0.11 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3mtc h VAL 326 CO -0.04 0.19 0.58 0.28 0.02 0.00 0.00 177.57 178.60 3mtc h SER 327 N 0.01 0.70 1.62 0.57 0.02 -0.80 -0.14 113.55 115.53 3mtc h SER 327 Ca 0.04 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3mtc h SER 327 Cb 0.26 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3mtc h SER 327 CO 0.00 0.37 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.51 3mtc h GLU 328 N 0.75 0.00 -0.01 3.45 5.08 -1.17 -3.23 114.58 119.46 3mtc h GLU 328 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3mtc h GLU 328 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3mtc h GLU 328 CO -0.21 0.21 -0.39 0.41 -1.00 0.00 0.00 179.01 178.04 3mtc n GLY 329 N 0.96 -0.61 3.73 -3.84 0.00 -0.13 -4.84 105.19 100.46 3mtc n GLY 329 Ca 0.03 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3mtc n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mtc s LEU 330 N -2.61 2.99 0.20 0.99 1.43 -0.78 -3.83 118.68 117.07 3mtc s LEU 330 Ca 0.20 2.02 -0.33 0.00 -1.03 0.00 0.00 54.13 54.99 3mtc s LEU 330 Cb 0.19 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.72 3mtc s LEU 330 CO 0.58 -2.48 1.53 1.57 0.23 0.00 0.00 176.35 177.78 3mtc n HIS 331 N -3.72 2.30 0.30 0.29 -0.00 -1.26 -4.89 115.22 108.24 3mtc n HIS 331 Ca 0.11 0.31 0.18 0.00 -0.00 0.00 0.00 57.72 58.32 3mtc n HIS 331 Cb 0.52 -2.53 0.77 0.00 -0.00 0.00 0.00 29.99 28.76 3mtc n HIS 331 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3mtc h PRO 332 N 5.34 0.00 0.00 1.57 0.13 -1.95 -3.26 132.00 133.83 3mtc h PRO 332 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mtc h PRO 332 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3mtc h PRO 332 CO 0.84 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 3mtc n ASP 333 N -3.03 0.60 -4.20 1.44 8.00 -1.26 -4.78 116.55 113.32 3mtc n ASP 333 Ca 0.00 0.60 -0.22 0.00 0.71 0.00 0.00 54.79 55.87 3mtc n ASP 333 Cb 0.26 -0.74 -0.13 0.00 -0.02 0.00 0.00 41.12 40.48 3mtc n ASP 333 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mtc s ALA 334 N -3.17 1.47 -0.08 2.24 0.00 -1.23 -5.10 121.76 115.88 3mtc s ALA 334 Ca 0.08 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 3mtc s ALA 334 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3mtc s ALA 334 CO 0.48 0.30 1.12 0.21 0.00 0.00 0.00 175.76 177.86 3mtc s LYS 335 N -1.30 4.37 -0.15 0.00 2.20 -1.26 -4.88 119.74 118.73 3mtc s LYS 335 Ca 0.04 1.55 -0.06 0.00 -0.36 0.00 0.00 55.97 57.14 3mtc s LYS 335 Cb -0.09 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 3mtc s LYS 335 CO 0.02 -0.41 0.08 0.71 -0.36 0.00 0.00 175.35 175.39 3mtc s TYR 336 N 2.19 3.34 -0.04 4.03 2.02 -1.26 -1.00 117.35 126.63 3mtc s TYR 336 Ca 0.52 0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 57.29 3mtc s TYR 336 Cb -0.22 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 3mtc s TYR 336 CO 0.20 0.38 0.49 0.00 -1.57 0.00 0.00 175.55 175.05 3mtc s ALA 337 N -0.24 3.56 -0.28 3.71 0.00 0.10 -4.84 121.76 123.77 3mtc s ALA 337 Ca 0.09 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 3mtc s ALA 337 Cb -0.12 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.43 3mtc s ALA 337 CO 0.01 0.22 1.14 0.21 0.00 0.00 0.00 175.76 177.34 3mtc s LYS 338 N -0.23 4.09 -0.20 0.00 2.20 -1.26 -1.48 119.74 122.86 3mtc s LYS 338 Ca 0.26 1.22 -0.13 0.00 -0.36 0.00 0.00 55.97 56.96 3mtc s LYS 338 Cb -0.17 -3.75 -0.20 0.00 -1.51 0.00 0.00 37.83 32.20 3mtc s LYS 338 CO 0.13 -0.88 0.11 0.28 -0.36 0.00 0.00 175.35 174.63 3mtc n VAL 339 N 5.79 1.60 -3.60 4.02 0.31 0.41 -4.98 118.33 121.89 3mtc n VAL 339 Ca 0.13 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 3mtc n VAL 339 Cb 0.47 -1.85 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 3mtc n VAL 339 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3mtc s LYS 340 N -2.46 0.76 -0.03 5.55 2.47 -1.06 -5.00 119.74 119.97 3mtc s LYS 340 Ca -0.29 0.62 0.04 0.00 -1.56 0.00 0.00 55.97 54.78 3mtc s LYS 340 Cb 0.08 0.37 -0.01 0.00 -1.46 0.00 0.00 37.83 36.81 3mtc s LYS 340 CO 0.63 -0.15 -0.16 -1.17 0.16 0.00 0.00 175.35 174.66 3mtc s LEU 341 N -0.19 1.95 -0.06 5.43 0.20 -1.26 -0.65 118.68 124.10 3mtc s LEU 341 Ca -0.02 -0.31 -0.05 0.00 0.69 0.00 0.00 54.13 54.44 3mtc s LEU 341 Cb -0.03 -0.87 0.02 0.00 -0.43 0.00 0.00 46.19 44.87 3mtc s LEU 341 CO 0.01 0.17 0.15 -0.51 -0.29 0.00 0.00 176.35 175.88 3mtc s ILE 342 N -0.13 -0.01 -0.04 6.68 1.10 -0.68 -5.01 121.20 123.11 3mtc s ILE 342 Ca 0.01 0.04 -0.02 0.00 -0.51 0.00 0.00 60.65 60.17 3mtc s ILE 342 Cb -0.09 -0.23 0.02 0.00 0.15 0.00 0.00 42.46 42.31 3mtc s ILE 342 CO 0.01 0.02 0.09 -0.60 -2.11 0.00 0.00 174.94 172.35 3mtc s ARG 343 N 0.35 0.07 -0.25 3.50 3.52 -1.26 -0.74 118.95 124.15 3mtc s ARG 343 Ca -0.02 0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.79 3mtc s ARG 343 Cb -0.04 -0.06 0.06 0.00 -1.56 0.00 0.00 34.95 33.35 3mtc s ARG 343 CO -0.01 -0.08 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.15 3mtc s LEU 344 N 0.52 3.07 0.00 -0.88 2.96 0.23 -4.99 118.68 119.59 3mtc s LEU 344 Ca -0.04 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 3mtc s LEU 344 Cb -0.06 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.26 3mtc s LEU 344 CO -0.02 -0.22 0.00 0.52 -1.32 0.00 0.00 176.35 175.31 3mtc n VAL 345 N 4.54 0.00 0.83 1.68 0.31 -1.26 -0.85 118.33 123.57 3mtc n VAL 345 Ca -0.12 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.33 3mtc n VAL 345 Cb 0.43 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.55 3mtc n VAL 345 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mtc n GLY 346 N 0.00 1.12 3.52 2.92 0.00 -1.26 -4.69 105.19 106.80 3mtc n GLY 346 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3mtc n GLY 346 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtc s ILE 347 N -1.82 5.21 -0.02 -0.61 1.01 -0.03 -1.69 121.20 123.24 3mtc s ILE 347 Ca 0.33 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.80 3mtc s ILE 347 Cb 0.21 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3mtc s ILE 347 CO 0.31 -0.15 -0.10 -0.32 0.00 0.00 0.00 174.94 174.67 3mtc s MET 348 N 1.89 1.02 -0.05 2.79 1.75 -0.98 -0.60 119.30 125.12 3mtc s MET 348 Ca 0.09 -0.34 0.04 0.00 -1.25 0.00 0.00 55.69 54.22 3mtc s MET 348 Cb -0.17 -0.95 0.00 0.00 2.84 0.00 0.00 34.83 36.55 3mtc s MET 348 CO 0.11 0.14 -0.15 -1.17 -0.65 0.00 0.00 175.02 173.30 3mtc s LEU 349 N 0.12 1.85 -0.05 4.11 2.96 0.08 -0.80 118.68 126.95 3mtc s LEU 349 Ca -0.02 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3mtc s LEU 349 Cb -0.08 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 3mtc s LEU 349 CO 0.00 0.12 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.14 3mtc s LEU 350 N 0.21 2.06 -0.15 -0.68 1.43 0.24 -1.68 118.68 120.11 3mtc s LEU 350 Ca -0.07 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3mtc s LEU 350 Cb -0.12 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.74 3mtc s LEU 350 CO 0.03 0.26 -0.21 -0.22 0.23 0.00 0.00 176.35 176.43 3mtc s LEU 351 N -0.25 2.15 0.11 1.79 2.96 0.18 -1.33 118.68 124.29 3mtc s LEU 351 Ca -0.01 -0.60 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 3mtc s LEU 351 Cb -0.13 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3mtc s LEU 351 CO 0.03 0.07 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.61 3mtc s TYR 352 N 0.87 1.84 0.05 5.38 2.02 -0.49 -0.44 117.35 126.58 3mtc s TYR 352 Ca -0.06 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 3mtc s TYR 352 Cb -0.15 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3mtc s TYR 352 CO -0.03 0.23 -0.12 0.14 -1.57 0.00 0.00 175.55 174.20 3mtc s VAL 353 N -1.21 0.89 0.37 0.71 -7.23 -0.55 -1.25 120.40 112.14 3mtc s VAL 353 Ca 0.08 -1.12 -0.25 0.00 -1.81 0.00 0.00 61.98 58.88 3mtc s VAL 353 Cb -0.10 -0.87 -0.12 0.00 0.56 0.00 0.00 36.38 35.85 3mtc s VAL 353 CO 0.05 -0.22 0.92 0.29 -0.31 0.00 0.00 175.10 175.82 3mtc n LYS 354 N 1.54 1.18 -0.19 4.82 5.02 -0.49 0.02 118.16 130.06 3mtc n LYS 354 Ca -0.21 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3mtc n LYS 354 Cb 0.55 -1.86 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 3mtc n LYS 354 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3mtc h GLN 355 N 1.54 0.18 -0.15 1.97 5.75 -1.39 -0.67 115.11 122.33 3mtc h GLN 355 Ca -0.42 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.12 3mtc h GLN 355 Cb 1.35 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 3mtc h GLN 355 CO 0.57 0.12 0.22 1.05 -2.65 0.00 0.00 178.83 178.14 3mtc h GLU 356 N 0.18 0.00 -0.00 1.69 4.11 -1.89 -1.41 114.58 117.26 3mtc h GLU 356 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 3mtc h GLU 356 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3mtc h GLU 356 CO -0.45 0.00 -0.65 0.72 0.07 0.00 0.00 179.01 178.70 3mtc n HIS 357 N -3.57 0.00 -0.25 2.06 8.25 -0.27 -4.55 115.22 116.89 3mtc n HIS 357 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3mtc n HIS 357 Cb 0.33 -0.15 0.20 0.00 1.12 0.00 0.00 29.99 31.49 3mtc n HIS 357 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mtc h ALA 358 N 3.08 1.39 0.00 -1.41 0.00 -1.12 -2.03 119.26 119.18 3mtc h ALA 358 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3mtc h ALA 358 Cb 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mtc h ALA 358 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3mtc h ALA 359 N 1.47 1.00 -0.66 0.00 0.00 -1.80 -1.96 119.26 117.30 3mtc h ALA 359 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3mtc h ALA 359 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mtc h ALA 359 CO -0.06 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.85 3mtc n TYR 360 N -2.65 1.34 -3.57 0.00 4.01 -0.76 -4.87 117.16 110.67 3mtc n TYR 360 Ca -0.02 -0.58 -0.37 0.00 -0.16 0.00 0.00 57.90 56.77 3mtc n TYR 360 Cb 0.08 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 38.85 3mtc n TYR 360 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3mtc s ILE 361 N -1.63 5.31 0.24 -0.72 -1.09 -0.74 -0.99 121.20 121.58 3mtc s ILE 361 Ca 0.50 0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 59.31 3mtc s ILE 361 Cb 0.31 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 3mtc s ILE 361 CO 0.27 0.34 0.25 -0.94 -1.23 0.00 0.00 174.94 173.63 3mtc s SER 362 N 0.83 0.36 -1.39 3.58 1.04 -0.25 -4.96 113.70 112.91 3mtc s SER 362 Ca 0.13 -1.35 -0.05 0.00 0.48 0.00 0.00 55.95 55.17 3mtc s SER 362 Cb -0.13 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.49 3mtc s SER 362 CO 0.04 -0.97 0.77 -0.62 0.98 0.00 0.00 173.24 173.44 3mtc n GLU 363 N -0.36 -4.99 -2.45 4.02 1.02 -1.26 -0.51 120.64 116.10 3mtc n GLU 363 Ca 0.02 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.33 3mtc n GLU 363 Cb 0.64 -5.23 -0.02 0.00 -0.02 0.00 0.00 31.44 26.81 3mtc n GLU 363 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3mtc s VAL 364 N -3.57 4.33 0.04 2.62 1.01 -1.26 -4.05 120.40 119.51 3mtc s VAL 364 Ca 0.22 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.84 3mtc s VAL 364 Cb -0.11 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3mtc s VAL 364 CO 0.82 -0.17 -0.12 -1.61 0.00 0.00 0.00 175.10 174.03 3mtc s GLU 365 N 3.51 0.79 0.00 2.72 0.41 -0.50 -5.01 118.70 120.63 3mtc s GLU 365 Ca 0.53 -0.71 0.02 0.00 -0.41 0.00 0.00 54.97 54.40 3mtc s GLU 365 Cb -0.20 -0.75 -0.01 0.00 -1.78 0.00 0.00 34.13 31.39 3mtc s GLU 365 CO 0.14 0.18 -0.05 0.00 -0.49 0.00 0.00 175.26 175.04 3mtc s ALA 366 N -0.89 0.44 0.21 5.21 0.00 -1.26 -0.47 121.76 124.99 3mtc s ALA 366 Ca -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 3mtc s ALA 366 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3mtc s ALA 366 CO 0.01 0.09 0.29 -1.21 0.00 0.00 0.00 175.76 174.94 3mtc s GLU 367 N -0.28 1.31 0.03 0.00 0.41 -0.64 -5.00 118.70 114.52 3mtc s GLU 367 Ca 0.01 -1.39 0.00 0.00 -0.41 0.00 0.00 54.97 53.17 3mtc s GLU 367 Cb -0.03 0.36 -0.02 0.00 -1.78 0.00 0.00 34.13 32.66 3mtc s GLU 367 CO -0.00 -0.49 -0.03 0.95 -0.49 0.00 0.00 175.26 175.20 3mtc s THR 368 N -4.07 0.18 -0.10 3.63 -4.23 -1.26 -1.30 115.64 108.49 3mtc s THR 368 Ca 0.28 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 3mtc s THR 368 Cb 0.03 -0.56 0.04 0.00 1.34 0.00 0.00 72.50 73.36 3mtc s THR 368 CO 0.08 -0.59 0.07 -0.69 -0.54 0.00 0.00 174.62 172.95 3mtc s VAL 369 N -1.97 -0.05 0.07 2.29 1.01 -0.06 -4.94 120.40 116.76 3mtc s VAL 369 Ca -0.11 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 3mtc s VAL 369 Cb -0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 3mtc s VAL 369 CO -0.03 -0.00 0.69 -0.83 0.00 0.00 0.00 175.10 174.94 3mtc s GLY 370 N 2.14 2.76 -0.03 4.51 0.00 -1.26 -1.07 107.32 114.37 3mtc s GLY 370 Ca 0.04 0.20 0.12 0.00 0.00 0.00 0.00 44.72 45.08 3mtc s GLY 370 CO -0.06 0.84 1.09 -1.30 0.00 0.00 0.00 173.10 173.68 3mtc n THR 371 N 2.26 0.38 0.00 0.90 -2.24 -0.66 -3.94 114.28 110.98 3mtc n THR 371 Ca -0.06 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3mtc n THR 371 Cb 0.50 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3mtc n THR 371 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mtc n GLY 372 N -0.07 0.55 3.68 3.38 0.00 -0.32 -4.62 105.19 107.78 3mtc n GLY 372 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3mtc n GLY 372 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mtc n ILE 373 N 0.00 0.01 -2.17 -0.61 2.08 -1.26 0.05 119.36 117.46 3mtc n ILE 373 Ca 0.00 -0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.14 3mtc n ILE 373 Cb 0.00 -1.64 -0.03 0.00 -0.75 0.00 0.00 39.64 37.23 3mtc n ILE 373 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 3mtc n MET 374 N 3.58 -1.76 -1.06 0.38 2.81 -1.26 -1.36 117.12 118.45 3mtc n MET 374 Ca 0.17 0.89 -0.02 0.00 -1.81 0.00 0.00 57.70 56.93 3mtc n MET 374 Cb 0.30 -5.44 -0.01 0.00 -0.71 0.00 0.00 33.22 27.36 3mtc n MET 374 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mtc n GLY 375 N -0.76 0.39 0.00 3.03 0.00 0.11 -4.77 105.19 103.19 3mtc n GLY 375 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3mtc n GLY 375 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mtc n ARG 376 N -1.06 3.35 -1.28 1.61 0.63 -0.86 -4.28 116.66 114.77 3mtc n ARG 376 Ca -0.02 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.62 3mtc n ARG 376 Cb 0.30 -0.45 0.14 0.00 0.45 0.00 0.00 32.46 32.90 3mtc n ARG 376 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3mtc s MET 377 N -0.38 1.13 0.00 -0.14 -1.94 -0.47 -4.06 119.30 113.45 3mtc s MET 377 Ca 0.00 0.66 0.20 0.00 -1.71 0.00 0.00 55.69 54.83 3mtc s MET 377 Cb 0.00 -1.81 0.54 0.00 2.01 0.00 0.00 34.83 35.57 3mtc s MET 377 CO 0.00 -2.29 1.45 0.41 -0.01 0.00 0.00 175.02 174.59 3mtc n GLY 378 N -1.36 1.78 0.29 -0.03 0.00 -1.26 -1.18 105.19 103.44 3mtc n GLY 378 Ca 0.06 -0.66 0.15 0.00 0.00 0.00 0.00 46.02 45.57 3mtc n GLY 378 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3mtc h ASN 379 N 3.63 0.00 -5.34 1.61 -1.07 -1.91 -3.41 115.58 109.10 3mtc h ASN 379 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 3mtc h ASN 379 Cb 0.83 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 36.93 3mtc h ASN 379 CO 0.00 0.02 -0.61 -0.54 0.07 0.00 0.00 177.43 176.37 3mtc s LYS 380 N -4.55 0.84 0.00 4.14 -0.14 -1.26 -4.97 119.74 113.80 3mtc s LYS 380 Ca -0.05 -1.32 0.00 0.00 -1.36 0.00 0.00 55.97 53.24 3mtc s LYS 380 Cb 0.15 0.25 0.00 0.00 -1.68 0.00 0.00 37.83 36.55 3mtc s LYS 380 CO 0.55 -0.23 0.00 0.41 -0.76 0.00 0.00 175.35 175.32 3mtc n GLY 381 N -0.04 0.59 3.17 -3.33 0.00 0.04 -1.65 105.19 103.97 3mtc n GLY 381 Ca -0.09 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 3mtc n GLY 381 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mtc s GLY 382 N 0.00 0.04 0.18 -0.02 0.00 -0.23 -0.39 107.32 106.90 3mtc s GLY 382 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 44.72 44.54 3mtc s GLY 382 CO 0.00 -0.43 -0.16 -1.34 0.00 0.00 0.00 173.10 171.17 3mtc s VAL 383 N -2.39 1.72 -0.11 1.40 -7.23 0.16 -0.88 120.40 113.08 3mtc s VAL 383 Ca -0.06 -2.06 -0.16 0.00 -1.81 0.00 0.00 61.98 57.88 3mtc s VAL 383 Cb -0.02 -1.92 0.04 0.00 0.56 0.00 0.00 36.38 35.04 3mtc s VAL 383 CO -0.03 -0.49 0.41 0.00 -0.31 0.00 0.00 175.10 174.69 3mtc s ALA 384 N -2.58 -1.04 -0.13 1.32 0.00 -0.42 -0.73 121.76 118.18 3mtc s ALA 384 Ca 0.19 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3mtc s ALA 384 Cb -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3mtc s ALA 384 CO 0.06 -0.23 -0.21 0.42 0.00 0.00 0.00 175.76 175.80 3mtc s ILE 385 N -0.35 2.20 0.20 0.00 1.01 -0.58 -1.62 121.20 122.06 3mtc s ILE 385 Ca -0.05 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 59.75 3mtc s ILE 385 Cb -0.03 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3mtc s ILE 385 CO 0.02 0.55 -0.11 0.00 0.00 0.00 0.00 174.94 175.40 3mtc s ARG 386 N 0.68 1.99 0.15 2.79 1.04 0.38 -1.15 118.95 124.82 3mtc s ARG 386 Ca -0.10 -1.35 -0.25 0.00 -1.04 0.00 0.00 55.73 52.99 3mtc s ARG 386 Cb -0.16 -2.09 0.07 0.00 -2.04 0.00 0.00 34.95 30.72 3mtc s ARG 386 CO 0.01 0.42 0.98 -0.59 -0.04 0.00 0.00 175.30 176.08 3mtc s PHE 387 N -1.82 -0.11 -0.12 5.89 -0.12 -0.17 -1.40 117.98 120.12 3mtc s PHE 387 Ca 0.25 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 56.94 3mtc s PHE 387 Cb -0.08 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 3mtc s PHE 387 CO 0.15 -0.82 -0.15 -1.14 -0.05 0.00 0.00 175.22 173.21 3mtc s GLN 388 N -3.19 3.29 -0.20 1.99 0.74 0.33 -0.97 119.66 121.65 3mtc s GLN 388 Ca 0.13 -0.71 -0.00 0.00 0.05 0.00 0.00 55.36 54.83 3mtc s GLN 388 Cb -0.01 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.54 3mtc s GLN 388 CO 0.02 0.24 -0.15 0.12 -0.55 0.00 0.00 175.29 174.97 3mtc s PHE 389 N 0.28 2.87 0.00 1.67 5.36 -0.16 -1.09 117.98 126.91 3mtc s PHE 389 Ca -0.11 -1.55 0.00 0.00 -0.96 0.00 0.00 56.93 54.32 3mtc s PHE 389 Cb -0.16 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 3mtc s PHE 389 CO 0.06 -0.76 0.00 0.72 -1.46 0.00 0.00 175.22 173.78 3mtc n HIS 390 N 4.65 0.00 -0.71 10.12 8.25 -0.16 -1.11 115.22 136.25 3mtc n HIS 390 Ca -0.20 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.35 3mtc n HIS 390 Cb 0.49 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.91 3mtc n HIS 390 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mtc n ASN 391 N 5.08 4.37 -4.57 0.41 4.13 -0.49 -4.93 115.26 119.25 3mtc n ASN 391 Ca 0.00 -2.63 -0.34 0.00 1.68 0.00 0.00 54.58 53.29 3mtc n ASN 391 Cb 0.00 -0.53 -0.11 0.00 -1.54 0.00 0.00 39.78 37.60 3mtc n ASN 391 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3mtc s THR 392 N -2.16 4.34 0.08 3.41 2.01 -0.27 -4.82 115.64 118.23 3mtc s THR 392 Ca 0.45 -0.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.05 3mtc s THR 392 Cb 0.31 -2.92 -0.07 0.00 0.01 0.00 0.00 72.50 69.83 3mtc s THR 392 CO 0.17 0.48 0.58 -0.94 -0.69 0.00 0.00 174.62 174.22 3mtc s SER 393 N 0.29 7.07 -0.02 3.53 1.04 -1.26 -0.99 113.70 123.37 3mtc s SER 393 Ca 0.00 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.71 3mtc s SER 393 Cb -0.13 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.65 3mtc s SER 393 CO 0.02 0.27 0.03 -0.63 0.98 0.00 0.00 173.24 173.90 3mtc s ILE 394 N -1.12 -0.05 -0.11 -1.02 1.01 -0.15 -1.66 121.20 118.11 3mtc s ILE 394 Ca 0.29 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.15 3mtc s ILE 394 Cb -0.20 -0.08 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3mtc s ILE 394 CO 0.19 0.08 -0.15 0.00 0.00 0.00 0.00 174.94 175.06 3mtc s VAL 396 N 0.97 3.37 -0.07 0.00 1.01 -0.30 -1.65 120.40 123.73 3mtc s VAL 396 Ca -0.07 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3mtc s VAL 396 Cb -0.15 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3mtc s VAL 396 CO -0.01 0.46 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 3mtc s VAL 397 N 1.05 2.98 -0.19 2.92 1.01 -0.22 -1.53 120.40 126.42 3mtc s VAL 397 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3mtc s VAL 397 Cb -0.15 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3mtc s VAL 397 CO -0.00 0.57 -0.17 0.21 0.00 0.00 0.00 175.10 175.71 3mtc s ASN 398 N -0.43 3.32 0.01 3.32 2.47 0.09 -0.83 114.94 122.90 3mtc s ASN 398 Ca 0.05 -0.78 0.07 0.00 0.42 0.00 0.00 52.86 52.62 3mtc s ASN 398 Cb -0.12 -1.44 -0.02 0.00 -1.45 0.00 0.00 41.25 38.22 3mtc s ASN 398 CO 0.02 -0.05 -0.22 -0.94 -3.72 0.00 0.00 177.10 172.19 3mtc s SER 399 N 1.29 2.56 -0.33 -4.21 1.04 -0.65 -0.66 113.70 112.73 3mtc s SER 399 Ca 0.02 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3mtc s SER 399 Cb -0.14 -0.25 0.08 0.00 0.10 0.00 0.00 66.02 65.80 3mtc s SER 399 CO -0.11 0.22 0.04 -2.28 0.98 0.00 0.00 173.24 172.10 3mtc s HIS 400 N -0.64 3.47 0.41 5.02 2.46 0.48 -2.05 115.29 124.45 3mtc s HIS 400 Ca 0.08 -2.38 0.01 0.00 0.47 0.00 0.00 55.06 53.24 3mtc s HIS 400 Cb -0.09 -2.56 -0.01 0.00 -0.13 0.00 0.00 32.58 29.79 3mtc s HIS 400 CO 0.00 -0.90 0.62 -0.51 -2.47 0.00 0.00 174.74 171.49 3mtc s LEU 401 N 1.11 3.76 0.33 8.88 1.43 -0.99 -0.78 118.68 132.42 3mtc s LEU 401 Ca 0.02 0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 3mtc s LEU 401 Cb -0.20 -3.13 -0.13 0.00 0.03 0.00 0.00 46.19 42.76 3mtc s LEU 401 CO -0.04 -0.59 1.04 0.00 0.23 0.00 0.00 176.35 176.98 3mtc n ALA 402 N -1.96 0.06 -1.90 4.21 0.00 -1.26 -4.66 120.51 115.00 3mtc n ALA 402 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 3mtc n ALA 402 Cb 0.57 -2.06 0.06 0.00 0.00 0.00 0.00 19.45 18.02 3mtc n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mtc s ALA 403 N -1.13 2.86 0.00 0.00 0.00 -1.26 -4.76 121.76 117.46 3mtc s ALA 403 Ca 0.59 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3mtc s ALA 403 Cb -0.64 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3mtc s ALA 403 CO 0.60 -1.27 0.00 0.72 0.00 0.00 0.00 175.76 175.81 3mtc n HIS 404 N -3.07 0.00 -0.32 0.00 8.25 -1.26 -4.46 115.22 114.36 3mtc n HIS 404 Ca 0.07 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.70 3mtc n HIS 404 Cb 0.58 -0.58 0.36 0.00 1.12 0.00 0.00 29.99 31.47 3mtc n HIS 404 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3mtc h ILE 405 N 0.00 0.43 -0.01 1.59 2.04 -1.95 -2.07 117.51 117.54 3mtc h ILE 405 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3mtc h ILE 405 Cb 0.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3mtc h ILE 405 CO 0.00 0.07 -0.04 -1.84 0.00 0.00 0.00 178.15 176.34 3mtc n GLU 406 N -5.03 1.23 -1.21 2.37 0.00 -1.26 -4.03 120.64 112.70 3mtc n GLU 406 Ca 0.25 -0.52 -0.23 0.00 0.00 0.00 0.00 57.16 56.66 3mtc n GLU 406 Cb 0.75 -1.49 0.16 0.00 0.00 0.00 0.00 31.44 30.86 3mtc n GLU 406 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3mtc n GLU 407 N -0.43 2.30 0.00 3.44 -0.58 -0.78 -4.65 120.64 119.94 3mtc n GLU 407 Ca 0.19 -3.11 0.01 0.00 -0.42 0.00 0.00 57.16 53.83 3mtc n GLU 407 Cb 0.27 -2.15 0.33 0.00 -0.57 0.00 0.00 31.44 29.31 3mtc n GLU 407 CO 0.00 0.00 0.00 0.10 -0.48 0.00 0.00 177.13 176.75 3mtc h TYR 408 N 1.20 0.52 -0.47 -0.32 -0.00 -1.78 -1.56 116.97 114.56 3mtc h TYR 408 Ca 0.58 -0.04 -0.08 0.00 0.00 0.00 0.00 58.73 59.19 3mtc h TYR 408 Cb 2.33 -0.16 -0.02 0.00 0.00 0.00 0.00 36.73 38.89 3mtc h TYR 408 CO 1.49 0.48 -0.02 0.93 -0.00 0.00 0.00 178.16 181.04 3mtc h GLU 409 N 0.50 0.78 -0.44 0.10 5.08 -1.95 -1.32 114.58 117.34 3mtc h GLU 409 Ca 0.11 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3mtc h GLU 409 Cb 0.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3mtc h GLU 409 CO 0.00 0.81 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.52 3mtc h ARG 410 N 0.73 0.88 -0.31 2.33 9.65 -1.67 -0.92 114.38 125.07 3mtc h ARG 410 Ca 0.14 -0.36 0.02 0.00 -1.10 0.00 0.00 59.98 58.68 3mtc h ARG 410 Cb 0.48 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 3mtc h ARG 410 CO 0.02 1.00 0.15 0.00 2.80 0.00 0.00 179.97 183.95 3mtc h ARG 411 N 0.76 0.31 -0.39 0.20 3.08 -1.05 0.38 114.38 117.67 3mtc h ARG 411 Ca 0.10 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.19 3mtc h ARG 411 Cb 0.75 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 3mtc h ARG 411 CO 0.06 0.20 0.08 -0.91 -1.07 0.00 0.00 179.97 178.34 3mtc h ASN 412 N 0.32 0.02 -0.45 7.04 2.35 -1.02 -0.80 115.58 123.04 3mtc h ASN 412 Ca 0.13 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 3mtc h ASN 412 Cb 0.04 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3mtc h ASN 412 CO -0.09 0.05 0.08 -0.61 -1.65 0.00 0.00 177.43 175.20 3mtc h GLN 413 N 0.21 0.81 -0.50 0.81 5.75 -0.66 -1.35 115.11 120.18 3mtc h GLN 413 Ca 0.19 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3mtc h GLN 413 Cb 0.22 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3mtc h GLN 413 CO -0.24 0.76 0.30 -0.44 -2.65 0.00 0.00 178.83 176.56 3mtc h ASP 414 N 0.77 0.60 0.14 -0.69 3.32 0.48 0.17 116.42 121.22 3mtc h ASP 414 Ca 0.16 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3mtc h ASP 414 Cb 0.36 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3mtc h ASP 414 CO 0.01 0.48 -0.15 0.22 -1.72 0.00 0.00 179.24 178.08 3mtc h TYR 415 N 0.66 -0.39 -0.93 4.55 3.20 -0.80 -0.57 116.97 122.70 3mtc h TYR 415 Ca 0.18 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3mtc h TYR 415 Cb -0.00 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 3mtc h TYR 415 CO -0.03 -0.23 0.59 0.87 -1.64 0.00 0.00 178.16 177.73 3mtc h LYS 416 N -0.32 1.06 -0.47 1.82 1.57 -0.98 -1.63 116.57 117.62 3mtc h LYS 416 Ca 0.01 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3mtc h LYS 416 Cb 0.31 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3mtc h LYS 416 CO -0.04 0.70 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.99 3mtc h ASP 417 N 1.09 0.84 -0.56 0.86 3.45 -0.24 -1.00 116.42 120.87 3mtc h ASP 417 Ca 0.39 -0.26 -0.07 0.00 0.43 0.00 0.00 57.03 57.53 3mtc h ASP 417 Cb 0.13 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 3mtc h ASP 417 CO -0.16 0.96 0.07 0.40 -1.57 0.00 0.00 179.24 178.95 3mtc h ILE 418 N 0.76 1.26 -0.45 0.35 2.04 -0.72 -1.49 117.51 119.27 3mtc h ILE 418 Ca 0.13 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3mtc h ILE 418 Cb 0.61 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3mtc h ILE 418 CO 0.04 0.36 0.08 0.00 0.00 0.00 0.00 178.15 178.63 3mtc h SER 420 N 0.60 0.43 0.77 0.00 4.64 -1.16 -3.36 113.55 115.47 3mtc h SER 420 Ca 0.14 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 3mtc h SER 420 Cb 0.37 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3mtc h SER 420 CO 0.01 1.16 -1.25 0.54 -0.87 0.00 0.00 176.83 176.41 3mtc n ARG 421 N -3.71 0.62 -2.28 4.77 1.74 -0.56 -4.83 116.66 112.41 3mtc n ARG 421 Ca -0.06 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 3mtc n ARG 421 Cb 0.83 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3mtc n ARG 421 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3mtc s MET 422 N -3.33 3.78 -0.06 5.56 1.75 -0.72 -4.99 119.30 121.29 3mtc s MET 422 Ca -0.02 1.34 0.02 0.00 -1.25 0.00 0.00 55.69 55.78 3mtc s MET 422 Cb 0.10 -3.98 0.01 0.00 2.84 0.00 0.00 34.83 33.81 3mtc s MET 422 CO 0.81 -1.31 -0.11 -0.65 -0.65 0.00 0.00 175.02 173.12 3mtc s GLN 423 N 4.57 1.49 0.03 4.11 -0.21 -1.26 -4.32 119.66 124.08 3mtc s GLN 423 Ca 0.64 -0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.66 3mtc s GLN 423 Cb -0.19 -1.27 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 3mtc s GLN 423 CO 0.28 0.03 0.11 -0.06 -2.12 0.00 0.00 175.29 173.52 3mtc s PHE 424 N 0.63 3.30 0.91 0.91 0.08 0.40 -4.93 117.98 119.28 3mtc s PHE 424 Ca -0.13 0.18 -0.10 0.00 0.12 0.00 0.00 56.93 57.00 3mtc s PHE 424 Cb -0.15 -1.71 0.14 0.00 -0.57 0.00 0.00 43.02 40.73 3mtc s PHE 424 CO 0.03 0.55 1.12 0.00 -0.10 0.00 0.00 175.22 176.82 3mtc s GLN 426 N -4.70 0.64 0.42 0.00 0.74 -1.26 -4.76 119.66 110.73 3mtc s GLN 426 Ca 0.66 -0.96 0.21 0.00 0.05 0.00 0.00 55.36 55.31 3mtc s GLN 426 Cb -0.22 0.24 0.89 0.00 1.10 0.00 0.00 33.01 35.03 3mtc s GLN 426 CO 0.58 -0.16 1.83 -1.35 -0.55 0.00 0.00 175.29 175.65 3mtc h PRO 427 N 3.32 0.00 -4.62 1.67 0.11 -2.01 -3.42 132.00 127.05 3mtc h PRO 427 Ca -0.33 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.07 3mtc h PRO 427 Cb 1.17 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.03 3mtc h PRO 427 CO 0.57 0.29 -0.54 0.34 -0.21 0.00 0.00 178.00 178.45 3mtc s ASP 428 N -6.39 5.61 0.00 -2.05 -1.08 -1.26 -4.98 116.67 106.52 3mtc s ASP 428 Ca -0.01 -1.04 0.23 0.00 -0.52 0.00 0.00 52.55 51.21 3mtc s ASP 428 Cb 0.12 -1.98 0.97 0.00 -1.46 0.00 0.00 42.92 40.57 3mtc s ASP 428 CO 0.66 -0.37 1.73 -2.65 0.52 0.00 0.00 175.17 175.06 3mtc n PRO 429 N 4.94 0.01 0.02 4.34 -0.02 -1.26 -3.06 135.00 139.98 3mtc n PRO 429 Ca -0.12 0.11 -0.10 0.00 -2.02 0.00 0.00 63.50 61.37 3mtc n PRO 429 Cb 0.46 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.40 3mtc n PRO 429 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3mtc h SER 430 N 0.00 -0.36 -4.26 2.55 0.02 -1.99 -3.46 113.55 106.05 3mtc h SER 430 Ca 0.00 0.06 -0.50 0.00 -0.84 0.00 0.00 61.79 60.51 3mtc h SER 430 Cb 0.39 0.17 0.09 0.00 0.14 0.00 0.00 62.40 63.18 3mtc h SER 430 CO 0.00 -0.16 0.37 -0.76 -1.14 0.00 0.00 176.83 175.13 3mtc s LEU 431 N -10.35 3.31 0.47 5.07 1.43 -1.17 -5.03 118.68 112.41 3mtc s LEU 431 Ca -0.14 1.77 -0.23 0.00 -1.03 0.00 0.00 54.13 54.50 3mtc s LEU 431 Cb 0.09 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 3mtc s LEU 431 CO 0.67 -1.41 1.22 -2.16 0.23 0.00 0.00 176.35 174.90 3mtc s PRO 432 N -4.50 3.66 0.77 1.29 0.04 -1.26 -4.98 135.00 130.02 3mtc s PRO 432 Ca 0.62 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 63.43 3mtc s PRO 432 Cb -0.16 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 31.98 3mtc s PRO 432 CO 0.46 -0.67 0.97 -2.30 0.04 0.00 0.00 177.00 175.50 3mtc n PRO 433 N -0.50 0.33 -2.04 0.56 -0.02 -1.26 -4.92 135.00 127.15 3mtc n PRO 433 Ca 0.07 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 3mtc n PRO 433 Cb 0.47 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 3mtc n PRO 433 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mtc s LEU 434 N -3.59 4.38 0.46 2.45 1.43 -1.11 -4.85 118.68 117.85 3mtc s LEU 434 Ca 0.72 2.53 0.08 0.00 -1.03 0.00 0.00 54.13 56.43 3mtc s LEU 434 Cb -0.32 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.31 3mtc s LEU 434 CO 0.52 -0.73 0.49 0.42 0.23 0.00 0.00 176.35 177.29 3mtc s THR 435 N 0.80 2.55 0.18 5.49 -4.23 -1.26 -0.45 115.64 118.72 3mtc s THR 435 Ca 0.65 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 3mtc s THR 435 Cb -0.41 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 70.74 3mtc s THR 435 CO 0.34 0.00 1.76 0.40 -0.54 0.00 0.00 174.62 176.58 3mtc h ILE 436 N 0.76 0.86 0.00 2.99 2.04 -1.83 -2.72 117.51 119.61 3mtc h ILE 436 Ca -0.39 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3mtc h ILE 436 Cb 1.28 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3mtc h ILE 436 CO 0.52 0.07 -0.02 0.77 0.00 0.00 0.00 178.15 179.48 3mtc h SER 437 N 0.37 0.00 0.00 1.72 4.64 -1.96 -3.28 113.55 115.04 3mtc h SER 437 Ca 0.22 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 3mtc h SER 437 Cb 0.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 3mtc h SER 437 CO -0.22 0.02 -0.17 0.59 -0.87 0.00 0.00 176.83 176.19 3mtc n ASN 438 N -3.21 4.39 -3.93 4.97 5.03 -1.03 -4.85 115.26 116.62 3mtc n ASN 438 Ca -0.02 -2.27 -0.10 0.00 0.87 0.00 0.00 54.58 53.06 3mtc n ASN 438 Cb 0.17 -1.11 -0.11 0.00 -1.02 0.00 0.00 39.78 37.72 3mtc n ASN 438 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3mtc s HIS 439 N 1.03 0.15 0.25 3.10 3.76 -1.24 -4.89 115.29 117.45 3mtc s HIS 439 Ca 0.39 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.94 3mtc s HIS 439 Cb 0.18 -0.12 0.28 0.00 1.11 0.00 0.00 32.58 34.03 3mtc s HIS 439 CO 0.00 -0.18 1.80 -0.44 -0.85 0.00 0.00 174.74 175.07 3mtc h ASP 440 N 4.85 0.94 -3.41 1.40 3.32 -1.72 -3.42 116.42 118.38 3mtc h ASP 440 Ca -0.30 -0.16 -0.49 0.00 0.02 0.00 0.00 57.03 56.10 3mtc h ASP 440 Cb 1.21 -0.25 -0.34 0.00 0.22 0.00 0.00 39.33 40.17 3mtc h ASP 440 CO 0.42 0.88 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.33 3mtc s VAL 441 N -5.37 0.99 -0.11 -1.35 1.01 -0.66 -3.97 120.40 110.95 3mtc s VAL 441 Ca -0.11 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3mtc s VAL 441 Cb 0.16 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.62 3mtc s VAL 441 CO 0.82 0.33 -0.15 -0.63 0.00 0.00 0.00 175.10 175.47 3mtc s ILE 442 N 0.79 1.48 -0.17 2.22 1.01 0.07 -0.80 121.20 125.80 3mtc s ILE 442 Ca -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3mtc s ILE 442 Cb -0.15 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 3mtc s ILE 442 CO 0.02 0.44 -0.13 -0.76 0.00 0.00 0.00 174.94 174.51 3mtc s LEU 443 N 1.00 2.53 -0.14 2.97 1.43 -0.66 -1.11 118.68 124.70 3mtc s LEU 443 Ca -0.06 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3mtc s LEU 443 Cb -0.15 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3mtc s LEU 443 CO -0.02 0.05 -0.21 0.86 0.23 0.00 0.00 176.35 177.26 3mtc s TRP 444 N 1.04 2.60 0.18 0.29 -0.11 -0.31 -1.06 118.94 121.58 3mtc s TRP 444 Ca -0.01 -1.34 0.02 0.00 1.22 0.00 0.00 56.10 55.99 3mtc s TRP 444 Cb -0.15 -1.78 -0.05 0.00 -1.50 0.00 0.00 33.47 29.99 3mtc s TRP 444 CO -0.03 -0.63 0.00 -0.48 -4.62 0.00 0.00 176.95 171.19 3mtc s LEU 445 N 0.91 2.11 0.00 5.86 0.05 -0.01 -0.12 118.68 127.49 3mtc s LEU 445 Ca -0.05 -1.18 0.00 0.00 0.05 0.00 0.00 54.13 52.95 3mtc s LEU 445 Cb -0.15 -0.09 0.00 0.00 -2.05 0.00 0.00 46.19 43.90 3mtc s LEU 445 CO -0.04 -0.56 0.00 0.61 -0.55 0.00 0.00 176.35 175.81 3mtc n GLY 446 N -0.28 -1.77 3.49 -3.48 0.00 -0.87 -1.63 105.19 100.65 3mtc n GLY 446 Ca -0.06 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 3mtc n GLY 446 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mtc s ASP 447 N -0.03 6.63 0.28 1.61 -1.08 -0.87 -1.78 116.67 121.42 3mtc s ASP 447 Ca 0.00 -1.95 0.26 0.00 -0.52 0.00 0.00 52.55 50.34 3mtc s ASP 447 Cb 0.00 -2.46 0.81 0.00 -1.46 0.00 0.00 42.92 39.81 3mtc s ASP 447 CO 0.00 -1.18 1.75 -0.07 0.52 0.00 0.00 175.17 176.19 3mtc h LEU 448 N 11.20 0.00 0.16 -1.34 3.38 -0.91 -2.62 115.31 125.18 3mtc h LEU 448 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3mtc h LEU 448 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3mtc h LEU 448 CO 1.23 0.00 -0.06 0.59 0.09 0.00 0.00 178.44 180.29 3mtc n ASN 449 N -2.44 -4.40 -4.78 -0.43 3.02 -0.93 -4.50 115.26 100.79 3mtc n ASN 449 Ca 0.04 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.30 3mtc n ASN 449 Cb 0.40 -2.20 -0.04 0.00 -0.61 0.00 0.00 39.78 37.33 3mtc n ASN 449 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3mtc s TYR 450 N -1.80 3.39 0.34 3.10 2.02 -1.26 -4.59 117.35 118.54 3mtc s TYR 450 Ca 0.00 1.67 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 3mtc s TYR 450 Cb 0.00 -3.14 0.00 0.00 -0.40 0.00 0.00 41.96 38.42 3mtc s TYR 450 CO 0.00 -0.52 0.00 0.54 -1.57 0.00 0.00 175.55 174.01 3mtc n ARG 451 N 0.30 1.18 -3.22 -0.62 5.12 -1.26 -4.15 116.66 114.02 3mtc n ARG 451 Ca 0.03 -2.46 -0.42 0.00 -1.93 0.00 0.00 57.85 53.08 3mtc n ARG 451 Cb 0.48 0.65 -0.08 0.00 -1.16 0.00 0.00 32.46 32.36 3mtc n ARG 451 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3mtc s ILE 452 N -2.21 4.98 0.80 0.55 -1.09 -1.26 -0.90 121.20 122.06 3mtc s ILE 452 Ca 0.00 0.27 -0.13 0.00 -2.23 0.00 0.00 60.65 58.57 3mtc s ILE 452 Cb -0.00 -4.01 0.08 0.00 -1.58 0.00 0.00 42.46 36.94 3mtc s ILE 452 CO 0.00 -0.30 1.17 -1.61 -1.23 0.00 0.00 174.94 172.98 3mtc s GLU 453 N 2.46 1.79 0.00 2.79 2.02 0.52 -4.55 118.70 123.73 3mtc s GLU 453 Ca 0.19 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.80 3mtc s GLU 453 Cb -0.15 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.27 3mtc s GLU 453 CO 0.14 -2.07 0.00 -1.91 0.02 0.00 0.00 175.26 171.44 3mtc n GLU 454 N -3.31 0.00 -1.62 1.61 2.13 -1.26 -4.90 120.64 113.29 3mtc n GLU 454 Ca 0.12 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.59 3mtc n GLU 454 Cb 0.51 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.30 3mtc n GLU 454 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3mtc s LEU 455 N 0.00 3.44 0.43 4.31 1.43 -1.26 -5.01 118.68 122.02 3mtc s LEU 455 Ca 0.00 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.51 3mtc s LEU 455 Cb 0.00 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 3mtc s LEU 455 CO 0.00 -2.06 0.66 1.51 0.23 0.00 0.00 176.35 176.69 3mtc s ASP 456 N -1.82 6.00 0.27 2.29 1.47 -1.26 -4.89 116.67 118.72 3mtc s ASP 456 Ca 0.77 0.42 -0.01 0.00 1.18 0.00 0.00 52.55 54.91 3mtc s ASP 456 Cb -0.31 -1.76 0.47 0.00 -0.34 0.00 0.00 42.92 40.98 3mtc s ASP 456 CO 0.42 -0.59 1.83 0.58 0.68 0.00 0.00 175.17 178.09 3mtc h VAL 457 N 0.45 0.95 -0.54 2.11 2.07 -1.97 -1.25 116.25 118.07 3mtc h VAL 457 Ca -0.47 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 3mtc h VAL 457 Cb 1.24 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3mtc h VAL 457 CO 0.59 0.17 -0.03 -0.33 0.02 0.00 0.00 177.57 177.99 3mtc h GLU 458 N 0.95 0.97 -0.45 1.57 3.07 -1.99 -1.54 114.58 117.16 3mtc h GLU 458 Ca 0.45 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 3mtc h GLU 458 Cb 0.38 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3mtc h GLU 458 CO -0.24 1.00 0.01 -0.22 -1.40 0.00 0.00 179.01 178.15 3mtc h LYS 459 N 0.85 0.80 -0.21 2.33 1.63 -1.66 -1.57 116.57 118.74 3mtc h LYS 459 Ca 0.15 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.73 3mtc h LYS 459 Cb 0.58 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 3mtc h LYS 459 CO 0.03 0.86 0.01 0.28 -3.45 0.00 0.00 179.45 177.18 3mtc h VAL 460 N 0.65 0.86 -0.02 2.00 2.07 -1.10 -1.26 116.25 119.45 3mtc h VAL 460 Ca 0.13 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 3mtc h VAL 460 Cb 0.49 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3mtc h VAL 460 CO 0.02 0.01 -0.30 0.11 0.02 0.00 0.00 177.57 177.44 3mtc h LYS 461 N 0.08 0.03 0.15 1.57 1.57 -1.18 -2.53 116.57 116.26 3mtc h LYS 461 Ca 0.10 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3mtc h LYS 461 Cb 0.12 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3mtc h LYS 461 CO -0.16 0.33 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.76 3mtc h LYS 462 N 0.03 -0.19 -1.01 3.15 1.63 -0.94 -2.21 116.57 117.02 3mtc h LYS 462 Ca 0.00 0.01 0.27 0.00 -0.85 0.00 0.00 60.65 60.08 3mtc h LYS 462 Cb 0.55 0.04 -0.13 0.00 -0.60 0.00 0.00 32.23 32.09 3mtc h LYS 462 CO 0.04 0.23 0.60 -0.07 -3.45 0.00 0.00 179.45 176.80 3mtc h LEU 463 N -0.72 0.62 -0.58 5.20 3.38 -1.17 0.22 115.31 122.25 3mtc h LEU 463 Ca -0.02 0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3mtc h LEU 463 Cb 0.52 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3mtc h LEU 463 CO 0.03 0.04 -0.44 0.40 0.09 0.00 0.00 178.44 178.57 3mtc h ILE 464 N 0.50 1.30 -0.17 1.22 2.04 -1.37 -0.35 117.51 120.69 3mtc h ILE 464 Ca 0.67 -1.62 -0.12 0.00 1.00 0.00 0.00 64.86 64.78 3mtc h ILE 464 Cb 1.37 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3mtc h ILE 464 CO -0.49 0.52 -0.41 -0.08 0.00 0.00 0.00 178.15 177.68 3mtc h GLU 465 N 0.51 0.38 0.00 2.37 4.81 -0.53 -2.16 114.58 119.96 3mtc h GLU 465 Ca 0.04 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3mtc h GLU 465 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3mtc h GLU 465 CO 0.09 0.74 0.00 0.39 -0.73 0.00 0.00 179.01 179.49 3mtc n GLU 466 N -4.02 0.18 -2.41 1.92 1.02 -0.07 -4.93 120.64 112.33 3mtc n GLU 466 Ca -0.02 0.26 -0.18 0.00 -0.02 0.00 0.00 57.16 57.20 3mtc n GLU 466 Cb 0.50 -1.75 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3mtc n GLU 466 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3mtc n LYS 467 N -2.07 -1.78 -2.49 3.49 5.02 -0.30 -4.93 118.16 115.09 3mtc n LYS 467 Ca 0.04 0.88 -0.43 0.00 -2.02 0.00 0.00 58.31 56.79 3mtc n LYS 467 Cb 0.33 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 29.93 3mtc n LYS 467 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3mtc n ASP 468 N -1.56 5.18 0.13 4.39 -0.08 -0.29 -4.78 116.55 119.54 3mtc n ASP 468 Ca -0.21 -3.10 -0.01 0.00 -1.51 0.00 0.00 54.79 49.96 3mtc n ASP 468 Cb 0.66 -1.48 0.15 0.00 2.34 0.00 0.00 41.12 42.79 3mtc n ASP 468 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3mtc h PHE 469 N 5.99 0.00 -0.80 -0.67 0.04 -1.91 -2.43 116.94 117.16 3mtc h PHE 469 Ca 0.37 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.13 3mtc h PHE 469 Cb 0.67 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 3mtc h PHE 469 CO 1.21 0.64 0.47 0.37 -0.60 0.00 0.00 178.31 180.40 3mtc h GLN 470 N 0.00 1.09 -0.05 1.51 4.15 -1.87 0.10 115.11 120.04 3mtc h GLN 470 Ca -0.01 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 3mtc h GLN 470 Cb 1.16 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.62 3mtc h GLN 470 CO 0.08 0.78 -0.23 1.98 -1.93 0.00 0.00 178.83 179.51 3mtc h MET 471 N 1.09 0.25 -0.88 1.69 4.05 -1.94 -2.67 114.93 116.52 3mtc h MET 471 Ca 0.28 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.56 3mtc h MET 471 Cb -0.02 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.75 3mtc h MET 471 CO -0.05 0.84 0.56 1.25 0.23 0.00 0.00 176.91 179.73 3mtc h LEU 472 N -0.28 0.89 -1.93 3.39 5.85 -1.41 -2.41 115.31 119.40 3mtc h LEU 472 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3mtc h LEU 472 Cb 0.88 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 3mtc h LEU 472 CO 0.05 0.57 -0.10 0.22 -0.34 0.00 0.00 178.44 178.84 3mtc h TYR 473 N 1.03 0.00 0.00 1.25 3.20 -0.71 -1.93 116.97 119.80 3mtc h TYR 473 Ca 0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.25 3mtc h TYR 473 Cb 0.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3mtc h TYR 473 CO -0.02 0.10 0.00 0.00 -1.64 0.00 0.00 178.16 176.60 3mtc h ALA 474 N 1.90 1.00 -0.35 1.82 0.00 -1.07 -1.85 119.26 120.70 3mtc h ALA 474 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mtc h ALA 474 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mtc h ALA 474 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92 3mtc n TYR 475 N -2.94 0.46 -2.49 0.00 4.01 -0.73 -4.92 117.16 110.55 3mtc n TYR 475 Ca -0.02 -0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 57.00 3mtc n TYR 475 Cb 0.13 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 3mtc n TYR 475 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3mtc s ASP 476 N -1.18 7.19 0.26 7.72 2.15 -0.70 -0.35 116.67 131.76 3mtc s ASP 476 Ca 0.31 2.01 0.00 0.00 0.43 0.00 0.00 52.55 55.30 3mtc s ASP 476 Cb 0.18 -2.59 0.35 0.00 -0.30 0.00 0.00 42.92 40.55 3mtc s ASP 476 CO 0.24 -0.34 1.70 1.56 -0.17 0.00 0.00 175.17 178.16 3mtc h GLN 477 N 6.04 0.59 -0.14 4.34 4.20 -1.35 -2.42 115.11 126.37 3mtc h GLN 477 Ca -0.43 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.05 3mtc h GLN 477 Cb 1.21 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 3mtc h GLN 477 CO 0.77 0.76 0.02 1.25 -0.67 0.00 0.00 178.83 180.96 3mtc h LEU 478 N 0.52 0.22 -0.47 1.46 5.85 -1.90 0.79 115.31 121.78 3mtc h LEU 478 Ca 0.08 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.63 3mtc h LEU 478 Cb 0.66 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 3mtc h LEU 478 CO 0.05 0.43 -0.17 0.50 -0.34 0.00 0.00 178.44 178.91 3mtc h LYS 479 N 0.00 -0.07 -0.17 1.25 3.64 -1.86 0.14 116.57 119.50 3mtc h LYS 479 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3mtc h LYS 479 Cb 0.31 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3mtc h LYS 479 CO 0.00 -0.04 0.08 0.82 -2.27 0.00 0.00 179.45 178.04 3mtc h ILE 480 N -0.07 1.14 -0.73 2.00 2.04 -1.20 -1.10 117.51 119.59 3mtc h ILE 480 Ca 0.22 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3mtc h ILE 480 Cb 0.41 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3mtc h ILE 480 CO -0.52 0.13 0.31 1.56 0.00 0.00 0.00 178.15 179.63 3mtc h GLN 481 N 0.14 1.07 -0.56 2.37 1.08 -0.44 -1.11 115.11 117.66 3mtc h GLN 481 Ca 0.06 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 3mtc h GLN 481 Cb 0.14 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 3mtc h GLN 481 CO -0.01 0.86 0.23 0.28 -0.95 0.00 0.00 178.83 179.24 3mtc h VAL 482 N 1.05 1.22 -0.85 -0.54 2.07 -0.56 -1.79 116.25 116.85 3mtc h VAL 482 Ca 0.25 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3mtc h VAL 482 Cb 0.17 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3mtc h VAL 482 CO -0.02 0.26 0.49 0.00 0.02 0.00 0.00 177.57 178.32 3mtc h ALA 483 N 1.08 1.27 0.00 1.67 0.00 -0.78 -1.84 119.26 120.65 3mtc h ALA 483 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mtc h ALA 483 Cb 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mtc h ALA 483 CO -0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3mtc n ALA 484 N -2.41 2.44 -2.24 0.00 0.00 -0.46 -4.92 120.51 112.93 3mtc n ALA 484 Ca 0.09 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 3mtc n ALA 484 Cb 0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 3mtc n ALA 484 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mtc n LYS 485 N -1.19 -1.29 0.12 0.00 5.02 -0.69 -4.91 118.16 115.22 3mtc n LYS 485 Ca 0.16 0.81 0.08 0.00 -2.02 0.00 0.00 58.31 57.35 3mtc n LYS 485 Cb 0.18 -5.20 0.03 0.00 -0.02 0.00 0.00 35.03 30.02 3mtc n LYS 485 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3mtc h THR 486 N 0.00 0.20 -3.72 -0.18 1.35 -1.70 -3.47 112.91 105.38 3mtc h THR 486 Ca -0.38 -1.33 -0.08 0.00 -0.55 0.00 0.00 66.41 64.07 3mtc h THR 486 Cb 1.27 1.83 -0.14 0.00 -1.73 0.00 0.00 68.15 69.38 3mtc h THR 486 CO 0.46 0.11 -0.32 0.68 -0.25 0.00 0.00 175.52 176.21 3mtc s VAL 487 N -3.20 0.13 -1.50 6.82 -7.23 -1.25 -4.93 120.40 109.24 3mtc s VAL 487 Ca 0.01 -1.06 -0.09 0.00 -1.81 0.00 0.00 61.98 59.04 3mtc s VAL 487 Cb 0.08 -1.30 0.06 0.00 0.56 0.00 0.00 36.38 35.79 3mtc s VAL 487 CO 0.76 -0.59 0.74 0.49 -0.31 0.00 0.00 175.10 176.19 3mtc n PHE 488 N -0.07 -1.93 -1.85 2.82 3.72 -1.26 -4.46 117.46 114.43 3mtc n PHE 488 Ca -0.15 0.83 -0.42 0.00 -0.05 0.00 0.00 57.45 57.65 3mtc n PHE 488 Cb 0.63 -3.76 -0.03 0.00 -0.94 0.00 0.00 39.48 35.37 3mtc n PHE 488 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3mtc s GLU 489 N -6.55 4.17 0.00 -1.08 2.12 -1.26 -2.10 118.70 114.00 3mtc s GLU 489 Ca 0.38 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.11 3mtc s GLU 489 Cb -0.20 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.24 3mtc s GLU 489 CO 0.86 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 3mtc n GLY 490 N 4.26 1.17 3.87 -1.50 0.00 -1.26 -5.04 105.19 106.68 3mtc n GLY 490 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3mtc n GLY 490 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mtc s PHE 491 N -3.46 3.44 0.01 1.61 0.08 -0.89 -4.74 117.98 114.03 3mtc s PHE 491 Ca 0.00 1.10 0.05 0.00 0.12 0.00 0.00 56.93 58.21 3mtc s PHE 491 Cb 0.00 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 3mtc s PHE 491 CO 0.00 -0.05 -0.15 0.99 -0.10 0.00 0.00 175.22 175.91 3mtc s THR 492 N -2.25 3.01 -0.03 0.64 2.01 0.02 -4.92 115.64 114.12 3mtc s THR 492 Ca 0.52 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.60 3mtc s THR 492 Cb -0.10 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3mtc s THR 492 CO 0.27 0.42 -0.23 -0.70 -0.69 0.00 0.00 174.62 173.69 3mtc s GLU 493 N -1.25 2.23 0.84 4.92 2.12 -1.26 -1.41 118.70 124.89 3mtc s GLU 493 Ca 0.14 -0.87 -0.11 0.00 0.36 0.00 0.00 54.97 54.49 3mtc s GLU 493 Cb -0.11 -2.13 0.10 0.00 0.26 0.00 0.00 34.13 32.25 3mtc s GLU 493 CO 0.04 0.57 1.09 0.20 -0.54 0.00 0.00 175.26 176.62 3mtc s GLY 494 N -0.62 1.64 0.27 -1.50 0.00 -1.26 -4.96 107.32 100.88 3mtc s GLY 494 Ca 0.10 0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 3mtc s GLY 494 CO -0.00 0.46 1.54 1.85 0.00 0.00 0.00 173.10 176.95 3mtc s GLU 495 N -4.95 4.17 -0.47 2.90 2.12 -1.26 -4.94 118.70 116.28 3mtc s GLU 495 Ca 0.62 2.48 -0.27 0.00 0.36 0.00 0.00 54.97 58.16 3mtc s GLU 495 Cb -0.17 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.19 3mtc s GLU 495 CO 0.56 -0.56 1.03 -0.51 -0.54 0.00 0.00 175.26 175.25 3mtc s LEU 496 N -0.36 3.82 0.00 2.70 1.43 -1.26 -4.84 118.68 120.16 3mtc s LEU 496 Ca 0.62 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 3mtc s LEU 496 Cb -0.46 -3.38 0.05 0.00 0.03 0.00 0.00 46.19 42.44 3mtc s LEU 496 CO 0.45 -1.15 0.77 0.35 0.23 0.00 0.00 176.35 177.01 3mtc n THR 497 N 6.63 0.32 -3.99 5.49 -2.24 -1.26 -4.80 114.28 114.42 3mtc n THR 497 Ca 0.09 -0.66 -0.22 0.00 -2.27 0.00 0.00 64.05 60.99 3mtc n THR 497 Cb 0.49 0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 3mtc n THR 497 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3mtc s PHE 498 N -0.54 2.97 0.52 4.78 -0.12 -1.26 -5.08 117.98 119.25 3mtc s PHE 498 Ca 0.06 -0.22 -0.14 0.00 -0.05 0.00 0.00 56.93 56.58 3mtc s PHE 498 Cb 0.04 -1.57 -0.07 0.00 -0.63 0.00 0.00 43.02 40.79 3mtc s PHE 498 CO 0.05 0.37 0.96 1.14 -0.05 0.00 0.00 175.22 177.69 3mtc s GLN 499 N -3.90 3.83 0.24 1.99 -2.07 -1.26 -4.99 119.66 113.51 3mtc s GLN 499 Ca 0.37 0.81 -0.26 0.00 -1.82 0.00 0.00 55.36 54.46 3mtc s GLN 499 Cb -0.07 -2.17 -0.16 0.00 -1.09 0.00 0.00 33.01 29.52 3mtc s GLN 499 CO 0.25 -0.30 0.41 -2.30 -1.32 0.00 0.00 175.29 172.03 3mtc n PRO 500 N -1.82 0.00 0.00 9.60 -0.02 -1.26 -4.88 135.00 136.62 3mtc n PRO 500 Ca 0.06 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 3mtc n PRO 500 Cb 0.54 -0.97 0.07 0.00 -0.02 0.00 0.00 33.50 33.11 3mtc n PRO 500 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3mtc n THR 501 N -0.24 0.00 -3.96 3.45 -2.24 -1.06 -4.88 114.28 105.36 3mtc n THR 501 Ca 0.16 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 3mtc n THR 501 Cb 0.28 1.43 -0.11 0.00 -2.10 0.00 0.00 70.33 69.82 3mtc n THR 501 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3mtc s TYR 502 N -2.12 0.22 -0.08 4.78 5.04 -1.13 -0.84 117.35 123.21 3mtc s TYR 502 Ca 0.25 -0.46 0.03 0.00 -2.44 0.00 0.00 57.07 54.46 3mtc s TYR 502 Cb 0.19 -0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.34 3mtc s TYR 502 CO 0.38 -0.17 -0.19 0.21 -1.34 0.00 0.00 175.55 174.44 3mtc s LYS 503 N -1.27 2.49 0.11 4.97 2.20 -1.26 -1.24 119.74 125.73 3mtc s LYS 503 Ca -0.14 -0.69 0.07 0.00 -0.36 0.00 0.00 55.97 54.85 3mtc s LYS 503 Cb -0.09 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 3mtc s LYS 503 CO -0.01 0.12 -0.06 0.71 -0.36 0.00 0.00 175.35 175.75 3mtc s TYR 504 N 0.46 2.82 0.21 4.03 2.02 -0.24 -0.63 117.35 126.02 3mtc s TYR 504 Ca -0.17 -0.12 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 3mtc s TYR 504 Cb -0.17 -1.45 -0.11 0.00 -0.40 0.00 0.00 41.96 39.83 3mtc s TYR 504 CO 0.07 0.46 1.61 -0.51 -1.57 0.00 0.00 175.55 175.60 3mtc s ASP 505 N -2.34 6.48 0.31 2.29 1.01 -0.51 -4.33 116.67 119.57 3mtc s ASP 505 Ca 0.23 2.77 -0.27 0.00 0.71 0.00 0.00 52.55 56.00 3mtc s ASP 505 Cb -0.11 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.08 3mtc s ASP 505 CO 0.16 -0.88 0.92 0.41 0.21 0.00 0.00 175.17 175.99 3mtc n THR 506 N 3.43 2.02 -0.98 -1.27 -1.04 -1.26 -2.32 114.28 112.86 3mtc n THR 506 Ca 0.13 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 3mtc n THR 506 Cb 0.37 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 3mtc n THR 506 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mtc n GLY 507 N 1.34 0.52 3.49 3.41 0.00 0.07 -4.98 105.19 109.04 3mtc n GLY 507 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3mtc n GLY 507 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mtc s SER 508 N -2.21 0.80 -0.16 1.61 1.04 -0.98 -5.00 113.70 108.80 3mtc s SER 508 Ca 0.00 -1.43 0.16 0.00 0.48 0.00 0.00 55.95 55.15 3mtc s SER 508 Cb 0.00 0.65 0.52 0.00 0.10 0.00 0.00 66.02 67.29 3mtc s SER 508 CO 0.00 -1.27 1.43 0.47 0.98 0.00 0.00 173.24 174.84 3mtc n ASP 509 N -1.28 3.90 -4.86 7.02 8.00 -1.26 -4.69 116.55 123.37 3mtc n ASP 509 Ca 0.01 -2.86 -0.33 0.00 0.71 0.00 0.00 54.79 52.32 3mtc n ASP 509 Cb 0.62 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3mtc n ASP 509 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3mtc s ASP 510 N -1.70 6.70 0.45 -2.24 1.01 -1.26 -4.98 116.67 114.64 3mtc s ASP 510 Ca 0.41 1.01 -0.24 0.00 0.71 0.00 0.00 52.55 54.44 3mtc s ASP 510 Cb 0.32 -2.26 -0.07 0.00 1.01 0.00 0.00 42.92 41.91 3mtc s ASP 510 CO 0.11 -0.04 1.21 0.26 0.21 0.00 0.00 175.17 176.92 3mtc s TRP 511 N -1.74 2.83 -0.35 4.23 0.23 -1.26 -1.43 118.94 121.46 3mtc s TRP 511 Ca 0.45 1.50 -0.31 0.00 -2.03 0.00 0.00 56.10 55.71 3mtc s TRP 511 Cb -0.12 -3.48 -0.13 0.00 0.03 0.00 0.00 33.47 29.77 3mtc s TRP 511 CO 0.20 -1.73 1.38 -3.47 0.96 0.00 0.00 176.95 174.29 3mtc n ASP 512 N -0.35 0.62 -1.21 2.95 2.03 0.20 -4.47 116.55 116.32 3mtc n ASP 512 Ca 0.06 0.58 0.09 0.00 0.52 0.00 0.00 54.79 56.05 3mtc n ASP 512 Cb 0.47 -0.62 0.29 0.00 -0.72 0.00 0.00 41.12 40.53 3mtc n ASP 512 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3mtc n THR 513 N 4.00 1.54 -1.04 5.18 -2.24 -1.26 -4.39 114.28 116.06 3mtc n THR 513 Ca 0.33 -1.20 -0.21 0.00 -2.27 0.00 0.00 64.05 60.69 3mtc n THR 513 Cb -0.03 0.24 0.17 0.00 -2.10 0.00 0.00 70.33 68.61 3mtc n THR 513 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3mtc n SER 514 N 0.85 -1.44 -0.23 3.42 3.41 -1.26 -4.91 113.62 113.46 3mtc n SER 514 Ca 0.21 -1.05 -0.08 0.00 -0.26 0.00 0.00 58.87 57.69 3mtc n SER 514 Cb 0.73 -0.72 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3mtc n SER 514 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3mtc h GLU 515 N 0.00 1.08 0.00 4.33 9.09 -2.05 -2.78 114.58 124.25 3mtc h GLU 515 Ca -0.30 -0.29 -0.01 0.00 0.05 0.00 0.00 59.36 58.81 3mtc h GLU 515 Cb 0.89 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.87 3mtc h GLU 515 CO 0.20 1.00 -0.05 1.57 0.05 0.00 0.00 179.01 181.77 3mtc h LYS 516 N 1.00 0.00 -6.89 1.06 2.10 -1.96 -3.47 116.57 108.42 3mtc h LYS 516 Ca 0.20 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.28 3mtc h LYS 516 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 3mtc h LYS 516 CO 0.01 0.05 -1.05 0.00 -2.00 0.00 0.00 179.45 176.47 3mtc s ARG 518 N -6.58 4.01 0.16 0.00 1.81 -1.26 -4.99 118.95 112.11 3mtc s ARG 518 Ca 0.32 1.92 -0.30 0.00 -1.72 0.00 0.00 55.73 55.95 3mtc s ARG 518 Cb -0.18 -2.69 -0.08 0.00 -0.45 0.00 0.00 34.95 31.56 3mtc s ARG 518 CO 0.95 -0.38 1.28 0.00 -0.68 0.00 0.00 175.30 176.47 3mtc s ALA 519 N -1.37 3.49 0.76 2.13 0.00 -1.26 -4.73 121.76 120.78 3mtc s ALA 519 Ca 0.57 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 53.41 3mtc s ALA 519 Cb -0.33 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 3mtc s ALA 519 CO 0.41 -0.49 0.74 -2.30 0.00 0.00 0.00 175.76 174.13 3mtc n PRO 520 N 2.97 0.28 -3.60 0.00 -0.02 -1.26 -4.60 135.00 128.77 3mtc n PRO 520 Ca 0.07 0.15 -0.16 0.00 -2.02 0.00 0.00 63.50 61.54 3mtc n PRO 520 Cb 0.44 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 3mtc n PRO 520 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mtc s ALA 521 N -1.96 -1.62 -1.28 3.55 0.00 -0.38 -4.56 121.76 115.51 3mtc s ALA 521 Ca 0.68 1.48 -0.16 0.00 0.00 0.00 0.00 51.96 53.96 3mtc s ALA 521 Cb -0.33 -0.49 0.11 0.00 0.00 0.00 0.00 23.12 22.41 3mtc s ALA 521 CO 0.56 -0.33 1.68 0.91 0.00 0.00 0.00 175.76 178.57 3mtc n TRP 522 N 1.78 4.59 0.09 0.00 8.01 -1.26 -2.55 117.44 128.09 3mtc n TRP 522 Ca -0.17 -3.03 -0.06 0.00 -1.31 0.00 0.00 57.50 52.93 3mtc n TRP 522 Cb 0.56 -2.44 0.07 0.00 -2.01 0.00 0.00 31.31 27.49 3mtc n TRP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3mtc s ASP 524 N -6.90 5.11 0.07 0.00 1.01 -1.26 -0.38 116.67 114.32 3mtc s ASP 524 Ca -0.03 -0.68 0.01 0.00 0.71 0.00 0.00 52.55 52.56 3mtc s ASP 524 Cb 0.11 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 3mtc s ASP 524 CO 0.81 -0.18 -0.06 -0.13 0.21 0.00 0.00 175.17 175.81 3mtc s ARG 525 N 1.50 0.71 -0.04 8.23 1.81 -0.74 -4.95 118.95 125.48 3mtc s ARG 525 Ca 0.03 -1.15 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 3mtc s ARG 525 Cb -0.17 -0.16 0.03 0.00 -0.45 0.00 0.00 34.95 34.19 3mtc s ARG 525 CO 0.02 -0.01 -0.01 0.42 -0.68 0.00 0.00 175.30 175.04 3mtc s ILE 526 N -3.02 0.27 0.24 1.52 1.01 -1.26 -2.05 121.20 117.91 3mtc s ILE 526 Ca 0.05 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3mtc s ILE 526 Cb 0.01 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 42.07 3mtc s ILE 526 CO -0.04 0.17 0.01 -0.76 0.00 0.00 0.00 174.94 174.32 3mtc s LEU 527 N 1.12 2.14 0.07 2.97 1.02 0.84 -4.54 118.68 122.30 3mtc s LEU 527 Ca -0.08 -1.25 -0.13 0.00 0.02 0.00 0.00 54.13 52.69 3mtc s LEU 527 Cb -0.14 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.83 3mtc s LEU 527 CO -0.02 -0.54 0.29 -1.66 0.02 0.00 0.00 176.35 174.45 3mtc s TRP 528 N -3.43 -0.06 -0.10 0.29 -2.14 -0.50 -1.16 118.94 111.83 3mtc s TRP 528 Ca 0.30 -0.17 -0.06 0.00 2.66 0.00 0.00 56.10 58.83 3mtc s TRP 528 Cb 0.06 0.09 0.04 0.00 -3.10 0.00 0.00 33.47 30.56 3mtc s TRP 528 CO 0.10 -0.55 0.24 0.21 -2.66 0.00 0.00 176.95 174.29 3mtc s LYS 529 N -3.06 0.21 0.00 3.25 2.20 -0.27 -0.80 119.74 121.27 3mtc s LYS 529 Ca -0.01 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 3mtc s LYS 529 Cb 0.01 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 3mtc s LYS 529 CO -0.07 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 3mtc n GLY 530 N 3.95 3.28 3.83 5.54 0.00 -1.26 -0.75 105.19 119.79 3mtc n GLY 530 Ca -0.23 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 3mtc n GLY 530 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtc s LYS 531 N -2.26 3.41 -1.45 1.61 1.02 -1.25 -4.24 119.74 116.58 3mtc s LYS 531 Ca 0.00 0.97 -0.10 0.00 0.02 0.00 0.00 55.97 56.86 3mtc s LYS 531 Cb 0.00 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.29 3mtc s LYS 531 CO 0.00 -0.72 0.99 0.09 -0.92 0.00 0.00 175.35 174.79 3mtc n ASN 532 N -2.42 -5.69 -4.44 2.83 4.13 -1.26 -4.70 115.26 103.71 3mtc n ASN 532 Ca 0.07 -0.57 -0.33 0.00 1.68 0.00 0.00 54.58 55.43 3mtc n ASN 532 Cb 0.54 -4.52 -0.13 0.00 -1.54 0.00 0.00 39.78 34.12 3mtc n ASN 532 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3mtc s ILE 533 N -3.27 3.25 -0.07 2.41 1.01 -1.26 -0.84 121.20 122.44 3mtc s ILE 533 Ca 0.56 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3mtc s ILE 533 Cb -0.26 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.88 3mtc s ILE 533 CO 0.69 0.55 -0.05 -0.89 0.00 0.00 0.00 174.94 175.23 3mtc s THR 534 N -0.07 0.70 -0.18 2.92 2.01 -0.54 -5.00 115.64 115.47 3mtc s THR 534 Ca -0.01 -0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 3mtc s THR 534 Cb -0.14 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 3mtc s THR 534 CO 0.03 0.28 0.90 -1.58 -0.69 0.00 0.00 174.62 173.57 3mtc s GLN 535 N 1.26 4.30 0.11 4.92 0.74 -1.26 -0.68 119.66 129.04 3mtc s GLN 535 Ca -0.05 1.14 0.22 0.00 0.05 0.00 0.00 55.36 56.72 3mtc s GLN 535 Cb -0.14 -3.59 -0.11 0.00 1.10 0.00 0.00 33.01 30.28 3mtc s GLN 535 CO -0.02 -0.41 0.85 1.28 -0.55 0.00 0.00 175.29 176.44 3mtc n LEU 536 N 5.51 0.54 -3.56 3.68 4.77 0.56 -4.97 117.00 123.52 3mtc n LEU 536 Ca 0.07 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3mtc n LEU 536 Cb 0.48 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 3mtc n LEU 536 CO 0.49 -0.10 0.73 -0.94 -1.33 0.00 0.00 177.39 176.25 3mtc s SER 537 N -4.89 -0.40 -0.23 -1.43 1.04 -1.17 -4.94 113.70 101.67 3mtc s SER 537 Ca -0.02 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.76 3mtc s SER 537 Cb 0.12 0.33 0.12 0.00 0.10 0.00 0.00 66.02 66.70 3mtc s SER 537 CO 0.83 -0.40 0.39 -0.47 0.98 0.00 0.00 173.24 174.57 3mtc s TYR 538 N -1.33 -0.83 0.04 5.02 5.04 -1.26 -2.81 117.35 121.20 3mtc s TYR 538 Ca -0.02 1.01 -0.08 0.00 -2.44 0.00 0.00 57.07 55.54 3mtc s TYR 538 Cb -0.00 0.10 -0.00 0.00 0.35 0.00 0.00 41.96 42.40 3mtc s TYR 538 CO 0.01 -0.66 0.16 -0.65 -1.34 0.00 0.00 175.55 173.07 3mtc s GLN 539 N 2.57 0.65 0.38 4.97 -0.21 -0.58 -4.73 119.66 122.70 3mtc s GLN 539 Ca 0.10 -0.65 0.08 0.00 0.02 0.00 0.00 55.36 54.90 3mtc s GLN 539 Cb -0.15 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.10 3mtc s GLN 539 CO -0.15 -0.18 0.33 -1.54 -2.12 0.00 0.00 175.29 171.64 3mtc s SER 540 N -2.04 5.11 -0.44 5.90 1.04 -1.26 -0.66 113.70 121.35 3mtc s SER 540 Ca -0.06 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.74 3mtc s SER 540 Cb -0.02 -0.72 0.13 0.00 0.10 0.00 0.00 66.02 65.51 3mtc s SER 540 CO -0.04 -0.53 0.23 -1.00 0.98 0.00 0.00 173.24 172.89 3mtc s HIS 541 N -2.41 2.11 0.43 5.02 0.09 -0.69 -4.95 115.29 114.89 3mtc s HIS 541 Ca 0.45 -2.47 0.16 0.00 -0.00 0.00 0.00 55.06 53.19 3mtc s HIS 541 Cb -0.04 -1.99 1.00 0.00 -0.00 0.00 0.00 32.58 31.55 3mtc s HIS 541 CO 0.27 -0.79 1.97 0.52 -0.00 0.00 0.00 174.74 176.71 3mtc h MET 542 N 6.80 0.00 0.00 1.40 2.86 -1.95 -3.10 114.93 120.93 3mtc h MET 542 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3mtc h MET 542 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3mtc h MET 542 CO 0.50 0.22 0.00 0.00 1.06 0.00 0.00 176.91 178.69 3mtc h ALA 543 N 1.78 1.00 -2.67 6.32 0.00 -1.95 -3.41 119.26 120.34 3mtc h ALA 543 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 3mtc h ALA 543 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 3mtc h ALA 543 CO 0.03 0.00 -0.03 -0.51 0.00 0.00 0.00 179.25 178.74 3mtc s LEU 544 N -5.17 4.12 -0.01 0.00 1.43 -1.17 -4.94 118.68 112.94 3mtc s LEU 544 Ca -0.00 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3mtc s LEU 544 Cb 0.09 -2.70 0.03 0.00 0.03 0.00 0.00 46.19 43.64 3mtc s LEU 544 CO 0.36 -0.21 0.91 0.29 0.23 0.00 0.00 176.35 177.93 3mtc n LYS 545 N 5.01 2.10 0.21 1.70 5.02 -1.26 -4.72 118.16 126.22 3mtc n LYS 545 Ca -0.04 -1.38 0.11 0.00 -2.02 0.00 0.00 58.31 54.97 3mtc n LYS 545 Cb 0.50 -0.93 0.68 0.00 -0.02 0.00 0.00 35.03 35.26 3mtc n LYS 545 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3mtc h THR 546 N 0.86 0.89 -1.76 -0.18 2.02 -1.92 0.23 112.91 113.05 3mtc h THR 546 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.56 3mtc h THR 546 Cb 0.69 0.94 -0.12 0.00 -1.74 0.00 0.00 68.15 67.91 3mtc h THR 546 CO 0.00 0.00 -0.61 -0.55 0.37 0.00 0.00 175.52 174.73 3mtc s SER 547 N -6.77 3.93 0.00 4.18 0.15 -1.26 -4.69 113.70 109.24 3mtc s SER 547 Ca -0.05 -1.25 0.29 0.00 0.70 0.00 0.00 55.95 55.65 3mtc s SER 547 Cb 0.17 -0.41 1.35 0.00 -1.71 0.00 0.00 66.02 65.42 3mtc s SER 547 CO 0.67 -0.37 1.97 -0.90 1.20 0.00 0.00 173.24 175.81 3mtc n ASP 548 N -0.95 0.02 -4.79 5.45 5.75 -1.26 -4.51 116.55 116.26 3mtc n ASP 548 Ca -0.04 0.18 -0.27 0.00 -0.01 0.00 0.00 54.79 54.64 3mtc n ASP 548 Cb 0.65 -0.38 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 3mtc n ASP 548 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3mtc s HIS 549 N -2.80 3.14 0.07 2.11 3.76 -1.26 -1.08 115.29 119.22 3mtc s HIS 549 Ca 0.21 -0.01 -0.07 0.00 -0.15 0.00 0.00 55.06 55.03 3mtc s HIS 549 Cb 0.20 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 32.32 3mtc s HIS 549 CO 0.50 0.52 0.33 0.15 -0.85 0.00 0.00 174.74 175.40 3mtc s LYS 550 N -3.01 3.64 0.64 1.40 -0.14 -0.02 -4.90 119.74 117.35 3mtc s LYS 550 Ca 0.31 -0.01 -0.16 0.00 -1.36 0.00 0.00 55.97 54.74 3mtc s LYS 550 Cb -0.10 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.04 3mtc s LYS 550 CO 0.23 0.58 1.12 -1.25 -0.76 0.00 0.00 175.35 175.26 3mtc s PRO 551 N -2.05 2.90 0.07 -1.68 0.05 -1.26 -4.77 135.00 128.25 3mtc s PRO 551 Ca 0.33 1.45 0.08 0.00 0.05 0.00 0.00 61.00 62.91 3mtc s PRO 551 Cb -0.13 -1.96 -0.03 0.00 0.05 0.00 0.00 34.50 32.43 3mtc s PRO 551 CO 0.19 -1.19 -0.21 0.08 0.05 0.00 0.00 177.00 175.93 3mtc s VAL 552 N -2.21 1.72 0.04 -0.36 1.01 -0.11 -1.70 120.40 118.79 3mtc s VAL 552 Ca 0.68 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3mtc s VAL 552 Cb -0.22 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3mtc s VAL 552 CO 0.39 0.11 -0.03 -0.94 0.00 0.00 0.00 175.10 174.62 3mtc s SER 553 N -1.48 0.41 -0.10 3.32 1.04 0.17 -1.39 113.70 115.66 3mtc s SER 553 Ca 0.07 -0.84 -0.08 0.00 0.48 0.00 0.00 55.95 55.59 3mtc s SER 553 Cb -0.09 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.23 3mtc s SER 553 CO 0.03 -0.50 0.25 -0.55 0.98 0.00 0.00 173.24 173.45 3mtc s SER 554 N -2.45 -0.27 -0.11 7.02 0.15 0.07 -1.53 113.70 116.57 3mtc s SER 554 Ca -0.00 0.52 -0.02 0.00 0.70 0.00 0.00 55.95 57.15 3mtc s SER 554 Cb 0.02 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 3mtc s SER 554 CO -0.07 -0.12 -0.05 -0.69 1.20 0.00 0.00 173.24 173.51 3mtc s VAL 555 N 0.54 3.83 0.10 4.45 1.01 -1.13 -0.76 120.40 128.45 3mtc s VAL 555 Ca -0.03 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.64 3mtc s VAL 555 Cb -0.05 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3mtc s VAL 555 CO -0.03 0.55 -0.24 -0.36 0.00 0.00 0.00 175.10 175.02 3mtc s PHE 556 N -0.21 2.03 -0.26 5.22 0.08 0.16 -0.33 117.98 124.68 3mtc s PHE 556 Ca 0.03 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.58 3mtc s PHE 556 Cb -0.13 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.15 3mtc s PHE 556 CO 0.02 0.24 0.16 -0.51 -0.10 0.00 0.00 175.22 175.04 3mtc s ASP 557 N -1.85 5.96 -0.11 1.36 1.01 0.14 -1.36 116.67 121.83 3mtc s ASP 557 Ca 0.10 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.39 3mtc s ASP 557 Cb -0.10 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.76 3mtc s ASP 557 CO 0.05 0.00 -0.14 -0.63 0.21 0.00 0.00 175.17 174.66 3mtc s ILE 558 N 1.44 1.40 -0.08 0.77 1.01 -0.07 -1.47 121.20 124.19 3mtc s ILE 558 Ca 0.07 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3mtc s ILE 558 Cb -0.15 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 3mtc s ILE 558 CO 0.08 0.42 1.25 -0.83 0.00 0.00 0.00 174.94 175.85 3mtc s GLY 559 N 1.07 1.93 -0.03 6.18 0.00 -0.02 -0.84 107.32 115.61 3mtc s GLY 559 Ca -0.05 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.33 3mtc s GLY 559 CO -0.02 2.34 -0.22 0.14 0.00 0.00 0.00 173.10 175.34 3mtc s VAL 560 N 2.64 2.42 -0.45 1.40 1.01 0.54 -4.88 120.40 123.08 3mtc s VAL 560 Ca 0.57 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3mtc s VAL 560 Cb -0.25 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3mtc s VAL 560 CO 0.20 0.58 1.35 -0.13 0.00 0.00 0.00 175.10 177.11 3mtc s ARG 561 N -0.61 3.57 -0.01 2.72 1.81 -1.26 -0.94 118.95 124.23 3mtc s ARG 561 Ca 0.09 0.78 0.02 0.00 -1.72 0.00 0.00 55.73 54.90 3mtc s ARG 561 Cb -0.11 -4.01 -0.03 0.00 -0.45 0.00 0.00 34.95 30.35 3mtc s ARG 561 CO -0.00 -1.58 -0.03 0.08 -0.68 0.00 0.00 175.30 173.09 3mtc s VAL 562 N 5.31 3.97 -0.13 3.52 1.01 0.53 -1.39 120.40 133.22 3mtc s VAL 562 Ca 0.57 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 3mtc s VAL 562 Cb -0.12 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3mtc s VAL 562 CO 0.32 0.41 1.07 -0.69 0.00 0.00 0.00 175.10 176.21 3mtc s VAL 563 N -1.02 4.61 0.31 2.92 1.01 -1.26 -0.83 120.40 126.14 3mtc s VAL 563 Ca 0.18 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.77 3mtc s VAL 563 Cb -0.11 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 3mtc s VAL 563 CO 0.08 -0.05 1.43 0.00 0.00 0.00 0.00 175.10 176.57 3mtc s ALA 564 N 2.42 3.59 0.08 5.51 0.00 0.42 -4.96 121.76 128.83 3mtc s ALA 564 Ca 0.49 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 3mtc s ALA 564 Cb -0.19 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 3mtc s ALA 564 CO 0.16 -0.82 1.19 -1.01 0.00 0.00 0.00 175.76 175.28 3mtc s HIS 565 N -0.58 3.45 -0.18 0.00 3.76 -1.26 -4.70 115.29 115.78 3mtc s HIS 565 Ca 0.55 1.33 -0.18 0.00 -0.15 0.00 0.00 55.06 56.61 3mtc s HIS 565 Cb -0.43 -3.41 -0.03 0.00 1.11 0.00 0.00 32.58 29.81 3mtc s HIS 565 CO 0.51 -1.22 0.51 -1.58 -0.85 0.00 0.00 174.74 172.11 3mtc s HIS 566 N 0.87 3.41 0.00 1.40 2.46 -1.26 -5.13 115.29 117.04 3mtc s HIS 566 Ca 0.57 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.91 3mtc s HIS 566 Cb -0.30 -2.64 0.00 0.00 -0.13 0.00 0.00 32.58 29.51 3mtc s HIS 566 CO 0.30 -0.03 0.38 0.72 -2.47 0.00 0.00 174.74 173.64