#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1svm s GLN 267 N 0.00 2.34 0.39 1.64 0.74 -1.26 -5.09 119.66 118.42 1svm s GLN 267 Ca 0.00 -0.83 -0.26 0.00 0.05 0.00 0.00 55.36 54.32 1svm s GLN 267 Cb 0.00 -2.20 -0.09 0.00 1.10 0.00 0.00 33.01 31.82 1svm s GLN 267 CO 0.00 0.56 1.21 0.08 -0.55 0.00 0.00 175.29 176.59 1svm s VAL 268 N -0.59 3.01 -0.44 1.34 1.01 -1.26 -4.99 120.40 118.48 1svm s VAL 268 Ca 0.09 0.88 -0.18 0.00 0.00 0.00 0.00 61.98 62.77 1svm s VAL 268 Cb -0.11 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1svm s VAL 268 CO 0.00 0.11 0.50 -0.55 0.00 0.00 0.00 175.10 175.16 1svm s SER 269 N -0.97 6.22 0.24 3.32 0.15 -1.26 -4.91 113.70 116.49 1svm s SER 269 Ca 0.56 -0.70 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 1svm s SER 269 Cb -0.33 -2.25 0.27 0.00 -1.71 0.00 0.00 66.02 62.00 1svm s SER 269 CO 0.42 -0.67 1.73 -0.50 1.20 0.00 0.00 173.24 175.43 1svm h TRP 270 N 8.80 0.91 -0.98 3.44 4.06 -1.98 -2.90 115.95 127.31 1svm h TRP 270 Ca -0.26 -0.14 0.08 0.00 2.06 0.00 0.00 58.89 60.63 1svm h TRP 270 Cb 1.11 -0.25 -0.07 0.00 -1.00 0.00 0.00 29.16 28.95 1svm h TRP 270 CO 0.66 0.84 0.63 -0.22 -3.56 0.00 0.00 178.44 176.79 1svm h LYS 271 N 0.79 1.06 -0.42 0.49 3.64 -1.98 -0.49 116.57 119.65 1svm h LYS 271 Ca 0.15 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 1svm h LYS 271 Cb 0.49 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1svm h LYS 271 CO 0.02 0.70 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.61 1svm h LEU 272 N 1.09 0.88 -0.47 5.20 3.38 -1.93 0.62 115.31 124.08 1svm h LEU 272 Ca 0.44 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1svm h LEU 272 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1svm h LEU 272 CO -0.19 1.07 0.07 0.58 0.09 0.00 0.00 178.44 180.07 1svm h VAL 273 N 0.75 1.25 -0.66 1.22 2.07 -1.32 -1.26 116.25 118.29 1svm h VAL 273 Ca 0.10 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1svm h VAL 273 Cb 0.77 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1svm h VAL 273 CO 0.06 0.32 0.42 0.74 0.02 0.00 0.00 177.57 179.14 1svm h THR 274 N 0.65 1.18 -0.70 2.57 2.02 -0.87 -1.44 112.91 116.32 1svm h THR 274 Ca 0.14 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1svm h THR 274 Cb 0.39 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1svm h THR 274 CO 0.01 0.18 0.46 -0.08 0.37 0.00 0.00 175.52 176.46 1svm h GLU 275 N 0.90 0.90 -0.45 6.66 4.81 -0.54 -0.07 114.58 126.80 1svm h GLU 275 Ca 0.24 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1svm h GLU 275 Cb -0.07 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1svm h GLU 275 CO -0.05 0.60 0.24 -0.92 -0.73 0.00 0.00 179.01 178.15 1svm h TYR 276 N 0.93 0.62 -0.69 0.92 3.20 -0.72 -0.85 116.97 120.39 1svm h TYR 276 Ca 0.26 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1svm h TYR 276 Cb -0.08 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 1svm h TYR 276 CO -0.03 0.47 0.34 0.00 -1.64 0.00 0.00 178.16 177.30 1svm h ALA 277 N 1.09 0.88 -0.36 1.82 0.00 -0.79 -1.36 119.26 120.54 1svm h ALA 277 Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1svm h ALA 277 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1svm h ALA 277 CO -0.02 0.44 0.16 0.52 0.00 0.00 0.00 179.25 180.34 1svm h MET 278 N 0.95 0.53 -0.22 0.00 2.86 -0.76 0.43 114.93 118.72 1svm h MET 278 Ca 0.24 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1svm h MET 278 Cb 0.10 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1svm h MET 278 CO -0.03 0.51 -0.13 0.93 1.06 0.00 0.00 176.91 179.25 1svm h GLU 279 N 0.44 0.35 -0.20 1.72 5.08 -0.90 -2.22 114.58 118.86 1svm h GLU 279 Ca 0.12 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1svm h GLU 279 Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1svm h GLU 279 CO -0.01 0.49 0.00 2.41 -1.00 0.00 0.00 179.01 180.90 1svm n THR 280 N -4.24 0.24 -4.04 1.13 -1.04 -0.54 -4.95 114.28 100.85 1svm n THR 280 Ca -0.00 -0.57 -0.32 0.00 -2.04 0.00 0.00 64.05 61.12 1svm n THR 280 Cb 0.29 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.86 1svm n THR 280 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1svm n LYS 281 N 1.19 -4.42 -2.84 -2.82 5.02 0.12 -4.90 118.16 109.52 1svm n LYS 281 Ca 0.17 0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 1svm n LYS 281 Cb 0.55 -5.27 -0.04 0.00 -0.02 0.00 0.00 35.03 30.25 1svm n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1svm n ASP 283 N 6.70 3.58 -4.18 0.00 5.75 -1.26 -4.63 116.55 122.51 1svm n ASP 283 Ca 0.06 -2.98 -0.35 0.00 -0.01 0.00 0.00 54.79 51.51 1svm n ASP 283 Cb 0.48 -0.51 -0.14 0.00 -1.03 0.00 0.00 41.12 39.92 1svm n ASP 283 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1svm s ASP 284 N -2.05 4.71 0.17 -1.12 -1.08 -1.26 -5.01 116.67 111.04 1svm s ASP 284 Ca 0.39 -1.13 -0.14 0.00 -0.52 0.00 0.00 52.55 51.15 1svm s ASP 284 Cb 0.32 -1.70 0.11 0.00 -1.46 0.00 0.00 42.92 40.19 1svm s ASP 284 CO 0.08 -0.22 1.78 0.58 0.52 0.00 0.00 175.17 177.92 1svm h VAL 285 N 6.35 0.95 -0.70 1.11 2.07 -1.90 -0.16 116.25 123.97 1svm h VAL 285 Ca -0.25 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1svm h VAL 285 Cb 1.08 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1svm h VAL 285 CO 0.55 0.08 0.15 -0.07 0.02 0.00 0.00 177.57 178.30 1svm h LEU 286 N 0.46 1.08 -0.49 2.57 3.38 -1.97 -0.40 115.31 119.94 1svm h LEU 286 Ca 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1svm h LEU 286 Cb 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1svm h LEU 286 CO -0.15 1.04 0.11 0.25 0.09 0.00 0.00 178.44 179.79 1svm h LEU 287 N 1.07 0.75 -0.05 1.67 5.85 -1.90 -0.76 115.31 121.95 1svm h LEU 287 Ca 0.22 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1svm h LEU 287 Cb 0.40 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1svm h LEU 287 CO 0.01 0.80 0.03 0.25 -0.34 0.00 0.00 178.44 179.18 1svm h LEU 288 N 0.67 0.06 -0.41 2.25 6.46 -0.76 0.32 115.31 123.90 1svm h LEU 288 Ca 0.15 -0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.94 1svm h LEU 288 Cb 0.34 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 1svm h LEU 288 CO 0.00 0.08 0.11 0.25 -0.62 0.00 0.00 178.44 178.26 1svm h LEU 289 N 0.04 0.07 -0.65 2.25 5.85 -0.92 0.36 115.31 122.30 1svm h LEU 289 Ca 0.02 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1svm h LEU 289 Cb 0.03 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1svm h LEU 289 CO -0.00 0.07 0.18 1.23 -0.34 0.00 0.00 178.44 179.58 1svm h GLY 290 N 0.25 1.10 0.86 3.75 0.00 -0.85 -2.02 103.07 106.16 1svm h GLY 290 Ca 0.20 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1svm h GLY 290 CO -0.24 0.63 -0.05 -0.33 0.00 0.00 0.00 176.54 176.55 1svm h MET 291 N 0.95 0.49 -0.23 4.80 2.86 -0.52 -3.05 114.93 120.23 1svm h MET 291 Ca 0.21 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1svm h MET 291 Cb 0.33 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1svm h MET 291 CO -0.00 0.70 -0.24 -0.92 1.06 0.00 0.00 176.91 177.51 1svm h TYR 292 N 0.25 0.48 0.00 -0.22 3.20 -0.88 -2.30 116.97 117.50 1svm h TYR 292 Ca 0.07 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1svm h TYR 292 Cb 0.51 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1svm h TYR 292 CO 0.05 0.64 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.02 1svm h LEU 293 N 0.39 0.00 -1.57 2.82 3.38 -1.32 -1.31 115.31 117.69 1svm h LEU 293 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1svm h LEU 293 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1svm h LEU 293 CO 0.04 0.11 0.00 -0.33 0.09 0.00 0.00 178.44 178.36 1svm h GLU 294 N 0.00 0.00 -0.00 1.13 5.08 -1.30 -2.78 114.58 116.71 1svm h GLU 294 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1svm h GLU 294 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1svm h GLU 294 CO 0.01 0.00 -0.17 1.19 -1.00 0.00 0.00 179.01 179.04 1svm n PHE 295 N -3.06 0.00 0.28 4.33 3.72 -0.50 -3.91 117.46 118.32 1svm n PHE 295 Ca 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1svm n PHE 295 Cb 0.28 -0.40 0.80 0.00 -0.94 0.00 0.00 39.48 39.22 1svm n PHE 295 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1svm h GLN 296 N 0.02 0.00 -6.53 -1.08 3.07 -1.59 -3.38 115.11 105.62 1svm h GLN 296 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 1svm h GLN 296 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 1svm h GLN 296 CO 0.00 0.07 -0.08 0.71 0.09 0.00 0.00 178.83 179.62 1svm s TYR 297 N -3.96 3.44 0.05 0.06 2.02 -1.25 -4.49 117.35 113.22 1svm s TYR 297 Ca -0.02 0.85 -0.38 0.00 -0.37 0.00 0.00 57.07 57.15 1svm s TYR 297 Cb 0.11 -2.26 -0.19 0.00 -0.40 0.00 0.00 41.96 39.23 1svm s TYR 297 CO 0.54 0.18 1.12 0.45 -1.57 0.00 0.00 175.55 176.26 1svm n SER 298 N -0.55 0.47 0.18 2.29 2.88 -1.26 -4.87 113.62 112.75 1svm n SER 298 Ca 0.00 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 1svm n SER 298 Cb 0.53 -1.02 0.14 0.00 -0.75 0.00 0.00 64.21 63.11 1svm n SER 298 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1svm h PHE 299 N 3.34 0.00 0.00 0.66 -5.15 -1.91 -3.24 116.94 110.64 1svm h PHE 299 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 1svm h PHE 299 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.57 1svm h PHE 299 CO 0.57 0.00 0.00 0.93 -2.00 0.00 0.00 178.31 177.81 1svm h GLU 300 N 0.00 0.00 -0.97 6.09 5.08 -2.01 -3.21 114.58 119.56 1svm h GLU 300 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1svm h GLU 300 Cb 0.98 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.81 1svm h GLU 300 CO 0.00 0.00 -0.87 -1.33 -1.00 0.00 0.00 179.01 175.81 1svm n MET 301 N -2.90 3.04 -3.74 2.33 2.81 -1.22 -5.03 117.12 112.40 1svm n MET 301 Ca 0.03 -4.09 -0.37 0.00 -1.81 0.00 0.00 57.70 51.46 1svm n MET 301 Cb 0.44 -2.07 -0.12 0.00 -0.71 0.00 0.00 33.22 30.76 1svm n MET 301 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1svm h LEU 303 N 8.26 0.95 -1.15 0.00 5.85 -1.92 -2.36 115.31 124.94 1svm h LEU 303 Ca -0.36 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.09 1svm h LEU 303 Cb 1.16 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1svm h LEU 303 CO 0.59 1.04 0.58 0.11 -0.34 0.00 0.00 178.44 180.42 1svm h LYS 304 N 0.84 1.07 -0.29 1.25 1.57 -1.98 -0.01 116.57 119.02 1svm h LYS 304 Ca 0.15 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 1svm h LYS 304 Cb 0.56 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1svm h LYS 304 CO 0.03 0.71 -0.51 0.00 -0.57 0.00 0.00 179.45 179.11 1svm h ILE 306 N 0.64 1.30 0.00 0.00 2.04 -0.87 -2.87 117.51 117.75 1svm h ILE 306 Ca 0.02 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1svm h ILE 306 Cb 1.10 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1svm h ILE 306 CO 0.11 0.54 0.00 0.29 0.00 0.00 0.00 178.15 179.09 1svm n LYS 307 N -4.00 0.27 -4.12 2.37 5.02 -0.08 -4.92 118.16 112.70 1svm n LYS 307 Ca -0.03 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 55.95 1svm n LYS 307 Cb 0.57 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 1svm n LYS 307 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1svm n LYS 308 N -1.34 -1.09 0.03 1.97 4.76 -1.07 -4.89 118.16 116.52 1svm n LYS 308 Ca 0.11 0.17 -0.19 0.00 -2.87 0.00 0.00 58.31 55.53 1svm n LYS 308 Cb 0.23 -3.40 -0.14 0.00 -1.84 0.00 0.00 35.03 29.88 1svm n LYS 308 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1svm h GLU 309 N -2.12 0.25 -3.80 1.97 4.11 -1.87 -3.46 114.58 109.67 1svm h GLU 309 Ca -0.68 -0.43 -0.56 0.00 0.07 0.00 0.00 59.36 57.77 1svm h GLU 309 Cb 1.40 0.16 -0.39 0.00 0.50 0.00 0.00 28.75 30.41 1svm h GLU 309 CO 0.61 1.11 -0.77 -0.65 0.07 0.00 0.00 179.01 179.38 1svm s GLN 310 N -2.58 0.96 0.43 1.06 -1.52 -1.26 -5.01 119.66 111.74 1svm s GLN 310 Ca -0.15 -0.72 0.17 0.00 -1.95 0.00 0.00 55.36 52.71 1svm s GLN 310 Cb 0.07 -2.24 1.08 0.00 -0.22 0.00 0.00 33.01 31.70 1svm s GLN 310 CO 0.81 -0.69 1.91 -1.35 -0.25 0.00 0.00 175.29 175.73 1svm h PRO 311 N 8.13 0.37 0.00 2.91 0.11 -1.98 0.53 132.00 142.07 1svm h PRO 311 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1svm h PRO 311 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1svm h PRO 311 CO 0.38 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 1svm n SER 312 N -4.47 0.19 -0.03 -2.05 3.41 -1.26 -2.21 113.62 107.20 1svm n SER 312 Ca 0.15 0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 59.29 1svm n SER 312 Cb 0.57 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1svm n SER 312 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1svm n HIS 313 N -1.73 0.00 0.30 7.33 -0.00 0.18 -4.63 115.22 116.67 1svm n HIS 313 Ca 0.02 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.91 1svm n HIS 313 Cb 0.12 -0.19 0.96 0.00 -0.00 0.00 0.00 29.99 30.88 1svm n HIS 313 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1svm h TYR 314 N -0.38 0.00 0.00 1.57 -0.00 -1.29 -1.08 116.97 115.78 1svm h TYR 314 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1svm h TYR 314 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.11 1svm h TYR 314 CO -0.16 0.03 -0.12 1.63 -0.00 0.00 0.00 178.16 179.54 1svm n LYS 315 N -3.42 0.01 0.00 0.10 5.02 -0.94 -4.20 118.16 114.72 1svm n LYS 315 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1svm n LYS 315 Cb 0.14 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1svm n LYS 315 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1svm n TYR 316 N -1.52 0.00 -0.04 2.13 4.02 -0.53 -4.87 117.16 116.36 1svm n TYR 316 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.85 1svm n TYR 316 Cb 0.34 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.62 1svm n TYR 316 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1svm h HIS 317 N 0.00 -1.00 -0.24 -0.72 2.76 -1.42 -1.58 115.15 112.95 1svm h HIS 317 Ca 0.00 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1svm h HIS 317 Cb 0.00 0.47 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 1svm h HIS 317 CO 0.00 -0.42 0.05 1.49 -1.30 0.00 0.00 177.93 177.75 1svm h GLU 318 N -0.38 0.14 -0.42 5.26 4.81 -1.88 0.25 114.58 122.36 1svm h GLU 318 Ca 0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1svm h GLU 318 Cb 0.57 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1svm h GLU 318 CO -0.43 0.09 0.20 -0.22 -0.73 0.00 0.00 179.01 177.93 1svm h LYS 319 N 0.14 0.58 -0.02 1.92 3.64 -1.84 -3.09 116.57 117.90 1svm h LYS 319 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1svm h LYS 319 Cb 0.11 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1svm h LYS 319 CO -0.15 0.45 -0.36 0.72 -2.27 0.00 0.00 179.45 177.85 1svm n HIS 320 N -4.41 0.00 -0.12 1.91 8.25 -0.61 -4.62 115.22 115.62 1svm n HIS 320 Ca 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.42 1svm n HIS 320 Cb 0.12 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1svm n HIS 320 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1svm h TYR 321 N 2.96 -0.79 -0.24 4.41 3.20 -0.43 0.86 116.97 126.95 1svm h TYR 321 Ca 0.00 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1svm h TYR 321 Cb 0.81 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 1svm h TYR 321 CO 0.00 -0.36 0.07 0.00 -1.64 0.00 0.00 178.16 176.23 1svm h ALA 322 N 0.87 0.26 -0.58 1.82 0.00 -1.82 -0.75 119.26 119.07 1svm h ALA 322 Ca 0.18 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1svm h ALA 322 Cb 0.52 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1svm h ALA 322 CO -0.53 -0.35 -0.05 -0.97 0.00 0.00 0.00 179.25 177.35 1svm h ASN 323 N 0.17 1.04 -0.30 0.00 -1.24 -1.79 -2.98 115.58 110.47 1svm h ASN 323 Ca 0.11 -0.32 -0.07 0.00 0.71 0.00 0.00 56.30 56.73 1svm h ASN 323 Cb 0.09 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 1svm h ASN 323 CO -0.12 1.11 -0.02 0.00 -1.29 0.00 0.00 177.43 177.11 1svm h ALA 324 N 0.98 1.21 -0.53 1.57 0.00 -0.56 0.16 119.26 122.10 1svm h ALA 324 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1svm h ALA 324 Cb 0.61 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1svm h ALA 324 CO 0.04 0.52 0.33 0.00 0.00 0.00 0.00 179.25 180.14 1svm h ALA 325 N 1.36 0.69 -0.35 0.00 0.00 -0.99 0.77 119.26 120.73 1svm h ALA 325 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1svm h ALA 325 Cb 0.42 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1svm h ALA 325 CO 0.02 0.06 -0.40 0.82 0.00 0.00 0.00 179.25 179.75 1svm h ILE 326 N 0.67 1.28 -0.99 0.00 2.04 -1.33 -2.97 117.51 116.20 1svm h ILE 326 Ca 0.21 -1.57 0.09 0.00 1.00 0.00 0.00 64.86 64.59 1svm h ILE 326 Cb -0.01 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 1svm h ILE 326 CO -0.08 0.52 0.63 0.15 0.00 0.00 0.00 178.15 179.37 1svm h PHE 327 N 0.70 1.15 -0.03 1.37 3.57 -0.11 -0.31 116.94 123.28 1svm h PHE 327 Ca 0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1svm h PHE 327 Cb 0.99 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1svm h PHE 327 CO 0.07 0.52 0.05 0.00 -2.23 0.00 0.00 178.31 176.72 1svm h ALA 328 N 1.49 1.37 -0.01 2.41 0.00 -0.69 -0.29 119.26 123.55 1svm h ALA 328 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1svm h ALA 328 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1svm h ALA 328 CO -0.22 -0.07 -0.59 -0.25 0.00 0.00 0.00 179.25 178.12 1svm n ASP 329 N -3.50 1.31 -4.77 0.00 8.00 -0.15 -4.98 116.55 112.46 1svm n ASP 329 Ca -0.02 -1.06 -0.35 0.00 0.71 0.00 0.00 54.79 54.07 1svm n ASP 329 Cb 0.14 0.53 0.02 0.00 -0.02 0.00 0.00 41.12 41.79 1svm n ASP 329 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1svm s SER 330 N -2.71 5.41 0.00 -2.24 0.15 -0.12 -4.96 113.70 109.23 1svm s SER 330 Ca 0.16 2.17 0.20 0.00 0.70 0.00 0.00 55.95 59.17 1svm s SER 330 Cb 0.18 -2.58 0.38 0.00 -1.71 0.00 0.00 66.02 62.29 1svm s SER 330 CO 0.67 -1.43 1.32 0.29 1.20 0.00 0.00 173.24 175.28 1svm n LYS 331 N -1.71 2.34 -1.15 5.44 5.02 -1.26 -4.40 118.16 122.44 1svm n LYS 331 Ca 0.12 -2.15 0.03 0.00 -2.02 0.00 0.00 58.31 54.29 1svm n LYS 331 Cb 0.51 -1.44 0.12 0.00 -0.02 0.00 0.00 35.03 34.19 1svm n LYS 331 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1svm n ASN 332 N 1.25 1.65 -0.16 4.39 4.13 -1.26 -4.91 115.26 120.35 1svm n ASN 332 Ca 0.17 -3.08 -0.04 0.00 1.68 0.00 0.00 54.58 53.31 1svm n ASN 332 Cb 0.54 -0.43 0.03 0.00 -1.54 0.00 0.00 39.78 38.38 1svm n ASN 332 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1svm h GLN 333 N 1.16 -0.09 -0.64 3.52 4.20 -1.89 -1.05 115.11 120.32 1svm h GLN 333 Ca -0.07 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1svm h GLN 333 Cb 1.39 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.17 1svm h GLN 333 CO 0.10 -0.06 0.15 -0.22 -0.67 0.00 0.00 178.83 178.13 1svm h LYS 334 N -0.10 1.02 -0.91 1.46 3.64 -1.97 -1.89 116.57 117.83 1svm h LYS 334 Ca 0.24 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1svm h LYS 334 Cb 0.47 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1svm h LYS 334 CO -0.57 0.93 0.52 1.15 -2.27 0.00 0.00 179.45 179.20 1svm h THR 335 N 0.94 1.26 -0.20 1.00 2.02 -1.79 0.85 112.91 116.98 1svm h THR 335 Ca 0.20 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1svm h THR 335 Cb 0.37 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1svm h THR 335 CO 0.00 0.28 0.07 0.40 0.37 0.00 0.00 175.52 176.64 1svm h ILE 336 N 1.27 1.18 -0.22 3.11 2.04 -0.91 -2.41 117.51 121.57 1svm h ILE 336 Ca 0.32 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1svm h ILE 336 Cb -0.01 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1svm h ILE 336 CO -0.06 0.18 -0.04 0.00 0.00 0.00 0.00 178.15 178.23 1svm h GLN 338 N 0.32 0.67 -0.67 0.00 -0.00 -0.55 -0.61 115.11 114.26 1svm h GLN 338 Ca 0.07 -0.15 -0.08 0.00 -0.00 0.00 0.00 58.65 58.49 1svm h GLN 338 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.65 1svm h GLN 338 CO 0.01 0.67 0.10 0.37 0.00 0.00 0.00 178.83 179.98 1svm h GLN 339 N 0.55 1.12 -0.17 1.69 4.15 -1.14 -0.73 115.11 120.58 1svm h GLN 339 Ca 0.14 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1svm h GLN 339 Cb 0.29 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1svm h GLN 339 CO -0.00 1.03 0.10 0.00 -1.93 0.00 0.00 178.83 178.03 1svm h ALA 340 N 1.05 0.21 -0.70 3.38 0.00 -1.17 -1.41 119.26 120.62 1svm h ALA 340 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1svm h ALA 340 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1svm h ALA 340 CO 0.01 -0.32 0.23 0.28 0.00 0.00 0.00 179.25 179.45 1svm h VAL 341 N 0.21 1.25 -0.47 0.00 2.07 -0.91 -2.02 116.25 116.38 1svm h VAL 341 Ca 0.06 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1svm h VAL 341 Cb -0.01 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1svm h VAL 341 CO -0.02 0.33 0.26 0.44 0.02 0.00 0.00 177.57 178.60 1svm h ASP 342 N 1.02 0.56 -0.57 0.57 3.32 -0.77 0.27 116.42 120.83 1svm h ASP 342 Ca 0.23 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 1svm h ASP 342 Cb 0.27 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1svm h ASP 342 CO -0.01 0.45 -0.01 0.74 -1.72 0.00 0.00 179.24 178.69 1svm h THR 343 N 0.64 1.26 -0.41 0.35 2.02 -0.58 0.14 112.91 116.34 1svm h THR 343 Ca 0.17 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 1svm h THR 343 Cb 0.01 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1svm h THR 343 CO -0.03 0.42 -0.11 0.58 0.37 0.00 0.00 175.52 176.75 1svm h VAL 344 N 0.94 1.27 -0.45 3.16 2.07 -0.71 -1.11 116.25 121.42 1svm h VAL 344 Ca 0.17 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1svm h VAL 344 Cb 0.56 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1svm h VAL 344 CO 0.03 0.41 -0.03 -0.07 0.02 0.00 0.00 177.57 177.93 1svm h LEU 345 N 0.62 0.73 -0.50 2.57 3.38 -0.74 -1.70 115.31 119.67 1svm h LEU 345 Ca 0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1svm h LEU 345 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1svm h LEU 345 CO 0.04 0.81 0.09 0.00 0.09 0.00 0.00 178.44 179.47 1svm h ALA 346 N 1.27 0.66 -0.64 1.53 0.00 -0.50 -1.02 119.26 120.55 1svm h ALA 346 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1svm h ALA 346 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1svm h ALA 346 CO 0.02 0.38 0.37 -0.22 0.00 0.00 0.00 179.25 179.81 1svm h LYS 347 N 0.69 0.89 -0.74 0.00 1.63 -0.91 -0.60 116.57 117.52 1svm h LYS 347 Ca 0.15 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1svm h LYS 347 Cb 0.38 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1svm h LYS 347 CO 0.01 0.65 0.38 0.87 -3.45 0.00 0.00 179.45 177.90 1svm h LYS 348 N 0.88 1.05 -0.26 1.90 1.57 -1.00 -0.74 116.57 119.96 1svm h LYS 348 Ca 0.23 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1svm h LYS 348 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1svm h LYS 348 CO -0.04 0.79 0.01 -0.09 -0.57 0.00 0.00 179.45 179.55 1svm h ARG 349 N 1.05 0.46 -0.03 3.15 9.65 -0.57 -1.41 114.38 126.67 1svm h ARG 349 Ca 0.26 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1svm h ARG 349 Cb 0.07 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1svm h ARG 349 CO -0.04 0.61 -0.04 0.28 2.80 0.00 0.00 179.97 183.59 1svm h VAL 350 N 0.25 0.88 -0.80 0.20 2.07 -0.81 -2.68 116.25 115.36 1svm h VAL 350 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1svm h VAL 350 Cb 0.40 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1svm h VAL 350 CO 0.01 0.00 0.53 0.44 0.02 0.00 0.00 177.57 178.57 1svm h ASP 351 N -0.06 0.85 0.30 0.57 3.32 -1.07 0.12 116.42 120.46 1svm h ASP 351 Ca 0.03 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1svm h ASP 351 Cb 0.10 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1svm h ASP 351 CO -0.07 0.59 -0.21 0.77 -1.72 0.00 0.00 179.24 178.59 1svm h SER 352 N 0.99 0.00 0.34 6.45 4.64 -0.94 -0.93 113.55 124.10 1svm h SER 352 Ca 0.32 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1svm h SER 352 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1svm h SER 352 CO -0.09 0.21 -1.81 0.18 -0.87 0.00 0.00 176.83 174.45 1svm n LEU 353 N -4.05 0.39 -0.00 5.97 4.77 -0.67 -4.64 117.00 118.76 1svm n LEU 353 Ca -0.02 0.17 0.04 0.00 -0.03 0.00 0.00 56.01 56.16 1svm n LEU 353 Cb 0.29 0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1svm n LEU 353 CO 0.35 0.17 -0.32 0.00 -1.33 0.00 0.00 177.39 176.27 1svm n GLN 354 N -2.66 2.26 -3.40 3.23 6.02 0.35 -5.01 117.38 118.17 1svm n GLN 354 Ca -0.14 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.50 1svm n GLN 354 Cb 0.83 -1.04 -0.05 0.00 1.02 0.00 0.00 30.24 31.00 1svm n GLN 354 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1svm s LEU 355 N -2.98 4.15 0.69 1.08 1.43 -0.37 -5.04 118.68 117.64 1svm s LEU 355 Ca -0.00 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1svm s LEU 355 Cb 0.06 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.61 1svm s LEU 355 CO 0.33 -0.09 1.06 0.42 0.23 0.00 0.00 176.35 178.30 1svm s THR 356 N -1.85 3.94 0.31 5.49 -4.23 -1.26 -4.90 115.64 113.15 1svm s THR 356 Ca 0.47 0.67 0.22 0.00 -1.18 0.00 0.00 61.69 61.87 1svm s THR 356 Cb -0.11 -3.36 0.21 0.00 1.34 0.00 0.00 72.50 70.58 1svm s THR 356 CO 0.22 -0.79 1.91 0.03 -0.54 0.00 0.00 174.62 175.46 1svm h ARG 357 N -0.59 0.00 -0.36 3.99 3.08 -1.97 -2.27 114.38 116.25 1svm h ARG 357 Ca -0.44 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 1svm h ARG 357 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1svm h ARG 357 CO 0.56 0.24 -0.02 1.49 -1.07 0.00 0.00 179.97 181.18 1svm h GLU 358 N 0.00 0.65 -0.51 0.04 4.81 -1.91 -2.12 114.58 115.54 1svm h GLU 358 Ca -0.00 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1svm h GLU 358 Cb 0.58 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1svm h GLU 358 CO 0.03 0.77 0.18 1.96 -0.73 0.00 0.00 179.01 181.23 1svm h GLN 359 N 0.47 0.75 -0.36 1.92 4.20 -1.81 0.30 115.11 120.58 1svm h GLN 359 Ca 0.10 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1svm h GLN 359 Cb 0.49 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1svm h GLN 359 CO 0.02 0.64 0.23 0.52 -0.67 0.00 0.00 178.83 179.57 1svm h MET 360 N 0.74 0.48 -0.65 1.46 2.86 -1.15 -0.02 114.93 118.66 1svm h MET 360 Ca 0.17 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1svm h MET 360 Cb 0.18 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1svm h MET 360 CO -0.01 0.34 0.12 1.25 1.06 0.00 0.00 176.91 179.67 1svm h LEU 361 N 0.48 1.01 -0.52 1.22 6.46 -0.80 -1.77 115.31 121.39 1svm h LEU 361 Ca 0.13 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1svm h LEU 361 Cb -0.03 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.61 1svm h LEU 361 CO -0.03 1.01 0.28 0.74 -0.62 0.00 0.00 178.44 179.82 1svm h THR 362 N 0.98 1.17 -0.81 1.05 2.02 -0.59 0.18 112.91 116.92 1svm h THR 362 Ca 0.20 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1svm h THR 362 Cb 0.41 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1svm h THR 362 CO 0.01 0.19 0.51 0.78 0.37 0.00 0.00 175.52 177.37 1svm h ASN 363 N 0.69 0.95 -0.22 4.18 2.35 -0.76 -0.35 115.58 122.42 1svm h ASN 363 Ca 0.18 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1svm h ASN 363 Cb 0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1svm h ASN 363 CO -0.03 0.72 0.10 -0.09 -1.65 0.00 0.00 177.43 176.48 1svm h ARG 364 N 1.10 0.32 -0.98 0.81 9.65 -0.68 -2.01 114.38 122.59 1svm h ARG 364 Ca 0.29 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.14 1svm h ARG 364 Cb -0.07 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 1svm h ARG 364 CO -0.06 0.35 0.65 0.74 2.80 0.00 0.00 179.97 184.44 1svm h PHE 365 N 0.22 1.22 -0.65 2.20 -1.00 -0.24 -1.31 116.94 117.38 1svm h PHE 365 Ca 0.07 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 1svm h PHE 365 Cb 0.13 -0.41 -0.03 0.00 3.61 0.00 0.00 35.95 39.26 1svm h PHE 365 CO -0.02 0.74 0.25 -0.91 -1.61 0.00 0.00 178.31 176.76 1svm h ASN 366 N 1.29 0.88 -0.40 2.17 2.35 -0.81 0.82 115.58 121.87 1svm h ASN 366 Ca 0.37 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 1svm h ASN 366 Cb -0.08 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1svm h ASN 366 CO -0.10 0.79 -0.24 0.44 -1.65 0.00 0.00 177.43 176.67 1svm h ASP 367 N 0.94 0.94 -0.59 5.81 3.32 -0.62 -1.43 116.42 124.80 1svm h ASP 367 Ca 0.22 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1svm h ASP 367 Cb 0.19 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1svm h ASP 367 CO -0.02 1.13 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.52 1svm h LEU 368 N 0.79 1.06 -1.31 1.55 3.38 -0.82 -2.48 115.31 117.48 1svm h LEU 368 Ca 0.10 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1svm h LEU 368 Cb 0.80 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1svm h LEU 368 CO 0.07 1.13 -0.08 -0.07 0.09 0.00 0.00 178.44 179.57 1svm h LEU 369 N 0.96 0.34 -0.64 1.67 3.38 -0.64 -0.37 115.31 120.03 1svm h LEU 369 Ca 0.16 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1svm h LEU 369 Cb 0.61 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1svm h LEU 369 CO 0.04 0.47 0.18 0.44 0.09 0.00 0.00 178.44 179.66 1svm h ASP 370 N 0.34 0.94 -0.52 -0.43 3.32 -0.93 0.62 116.42 119.77 1svm h ASP 370 Ca 0.07 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1svm h ASP 370 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1svm h ASP 370 CO 0.02 0.91 0.02 0.03 -1.72 0.00 0.00 179.24 178.50 1svm h ARG 371 N 0.92 0.91 -0.41 3.56 3.08 -0.94 -2.83 114.38 118.66 1svm h ARG 371 Ca 0.20 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1svm h ARG 371 Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1svm h ARG 371 CO -0.00 0.92 0.03 0.52 -1.07 0.00 0.00 179.97 180.37 1svm h MET 372 N 0.78 0.64 -0.71 0.04 2.86 -0.67 -0.31 114.93 117.56 1svm h MET 372 Ca 0.15 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1svm h MET 372 Cb 0.49 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1svm h MET 372 CO 0.02 0.64 0.41 -0.44 1.06 0.00 0.00 176.91 178.60 1svm h ASP 373 N 0.61 0.86 0.02 1.22 3.32 -0.64 -2.31 116.42 119.50 1svm h ASP 373 Ca 0.13 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1svm h ASP 373 Cb 0.34 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1svm h ASP 373 CO 0.01 0.68 -0.13 0.40 -1.72 0.00 0.00 179.24 178.48 1svm h ILE 374 N 0.98 1.75 -0.26 0.35 2.04 -1.27 -2.89 117.51 118.21 1svm h ILE 374 Ca 0.25 -2.37 -0.02 0.00 1.00 0.00 0.00 64.86 63.72 1svm h ILE 374 Cb -0.01 3.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 1svm h ILE 374 CO -0.04 0.62 0.06 0.00 0.00 0.00 0.00 178.15 178.78 1svm h MET 375 N -0.92 0.38 -0.70 2.37 -0.00 -1.07 -1.10 114.93 113.88 1svm h MET 375 Ca -0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1svm h MET 375 Cb 1.09 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.62 1svm h MET 375 CO 0.02 0.36 0.00 1.19 -0.00 0.00 0.00 176.91 178.47 1svm n PHE 376 N -4.38 1.26 -3.10 -0.10 3.72 -0.87 -1.28 117.46 112.71 1svm n PHE 376 Ca 0.01 -0.56 -0.20 0.00 -0.05 0.00 0.00 57.45 56.65 1svm n PHE 376 Cb 0.16 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.63 1svm n PHE 376 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1svm s GLY 377 N -0.95 1.77 0.31 1.37 0.00 -0.44 -4.95 107.32 104.43 1svm s GLY 377 Ca 0.51 -2.10 0.06 0.00 0.00 0.00 0.00 44.72 43.20 1svm s GLY 377 CO 0.29 -1.71 1.78 1.48 0.00 0.00 0.00 173.10 174.94 1svm h SER 378 N 0.21 0.77 -0.57 1.64 4.64 -1.86 0.43 113.55 118.81 1svm h SER 378 Ca -0.30 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1svm h SER 378 Cb 1.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1svm h SER 378 CO 0.42 0.27 0.00 0.35 -0.87 0.00 0.00 176.83 177.00 1svm n THR 379 N -4.75 1.35 -2.75 2.95 -2.24 -1.26 -4.95 114.28 102.63 1svm n THR 379 Ca 0.23 -0.94 -0.21 0.00 -2.27 0.00 0.00 64.05 60.86 1svm n THR 379 Cb 0.58 0.15 0.05 0.00 -2.10 0.00 0.00 70.33 69.01 1svm n THR 379 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1svm s GLY 380 N -0.87 1.82 -0.01 3.38 0.00 0.14 -4.94 107.32 106.84 1svm s GLY 380 Ca 0.43 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.55 1svm s GLY 380 CO 0.23 -1.25 0.81 -1.14 0.00 0.00 0.00 173.10 171.75 1svm n SER 381 N -2.35 1.17 -4.87 1.64 3.41 -1.16 -4.85 113.62 106.61 1svm n SER 381 Ca 0.11 -1.65 -0.33 0.00 -0.26 0.00 0.00 58.87 56.74 1svm n SER 381 Cb 0.60 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1svm n SER 381 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1svm s ALA 382 N -0.65 3.66 -0.38 7.33 0.00 -0.40 -5.06 121.76 126.25 1svm s ALA 382 Ca 0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 1svm s ALA 382 Cb 0.01 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.84 1svm s ALA 382 CO 0.00 0.56 0.20 0.34 0.00 0.00 0.00 175.76 176.85 1svm s ASP 383 N -2.17 5.63 0.54 0.00 -1.08 -1.26 -4.59 116.67 113.73 1svm s ASP 383 Ca 0.41 -1.14 0.26 0.00 -0.52 0.00 0.00 52.55 51.56 1svm s ASP 383 Cb -0.12 -1.98 1.43 0.00 -1.46 0.00 0.00 42.92 40.79 1svm s ASP 383 CO 0.21 -0.41 2.01 -0.29 0.52 0.00 0.00 175.17 177.21 1svm h ILE 384 N 5.99 0.68 -0.41 4.11 6.09 -1.94 -0.13 117.51 131.89 1svm h ILE 384 Ca -0.24 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.10 1svm h ILE 384 Cb 1.09 0.75 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 1svm h ILE 384 CO 0.67 0.00 -0.32 -0.08 -3.07 0.00 0.00 178.15 175.36 1svm h GLU 385 N 0.00 0.94 -0.41 2.19 4.81 -1.99 -1.43 114.58 118.69 1svm h GLU 385 Ca 0.21 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1svm h GLU 385 Cb 0.90 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1svm h GLU 385 CO -0.00 1.12 -0.06 0.93 -0.73 0.00 0.00 179.01 180.27 1svm h GLU 386 N 0.77 0.70 -0.13 1.92 5.08 -1.46 -1.59 114.58 119.87 1svm h GLU 386 Ca 0.08 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 1svm h GLU 386 Cb 0.91 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1svm h GLU 386 CO 0.08 0.76 -0.66 -1.49 -1.00 0.00 0.00 179.01 176.70 1svm h TRP 387 N 0.65 0.66 -0.22 4.33 4.06 -1.27 -2.53 115.95 121.62 1svm h TRP 387 Ca 0.12 -0.27 -0.07 0.00 2.06 0.00 0.00 58.89 60.74 1svm h TRP 387 Cb 0.49 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1svm h TRP 387 CO 0.02 1.02 -0.15 0.52 -3.56 0.00 0.00 178.44 176.29 1svm h MET 388 N 0.36 0.37 -0.52 0.49 2.86 -1.00 -0.29 114.93 117.20 1svm h MET 388 Ca -0.02 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1svm h MET 388 Cb 1.23 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1svm h MET 388 CO 0.12 0.52 0.15 0.00 1.06 0.00 0.00 176.91 178.77 1svm h ALA 389 N 1.50 1.30 -0.63 6.32 0.00 -1.07 -1.10 119.26 125.59 1svm h ALA 389 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1svm h ALA 389 Cb 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1svm h ALA 389 CO 0.03 0.50 0.10 0.78 0.00 0.00 0.00 179.25 180.66 1svm h GLY 390 N 0.92 1.11 1.03 0.00 0.00 -0.67 -1.17 103.07 104.30 1svm h GLY 390 Ca 0.17 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1svm h GLY 390 CO -0.01 0.67 0.39 -2.08 0.00 0.00 0.00 176.54 175.51 1svm h VAL 391 N 0.97 1.25 -0.25 4.60 2.07 -0.43 -1.45 116.25 123.00 1svm h VAL 391 Ca 0.19 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1svm h VAL 391 Cb 0.42 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1svm h VAL 391 CO 0.01 0.30 0.13 0.00 0.02 0.00 0.00 177.57 178.03 1svm h ALA 392 N 1.20 0.32 -0.35 1.67 0.00 -0.67 -0.58 119.26 120.86 1svm h ALA 392 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1svm h ALA 392 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1svm h ALA 392 CO -0.03 -0.12 0.19 2.35 0.00 0.00 0.00 179.25 181.63 1svm h TRP 393 N 0.28 0.48 -0.73 0.00 7.01 -0.97 -2.64 115.95 119.38 1svm h TRP 393 Ca 0.09 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1svm h TRP 393 Cb 0.11 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1svm h TRP 393 CO -0.02 0.38 0.33 -0.07 -2.79 0.00 0.00 178.44 176.27 1svm h LEU 394 N 0.43 0.95 0.00 0.65 3.38 -1.16 -1.07 115.31 118.49 1svm h LEU 394 Ca 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1svm h LEU 394 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1svm h LEU 394 CO -0.02 0.82 0.00 1.57 0.09 0.00 0.00 178.44 180.90 1svm n HIS 395 N -4.32 0.00 0.66 1.13 -0.00 -0.23 -1.10 115.22 111.35 1svm n HIS 395 Ca 0.07 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.32 1svm n HIS 395 Cb 0.15 -0.26 -0.00 0.00 -0.12 0.00 0.00 29.99 29.76 1svm n HIS 395 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1svm h LEU 397 N 1.68 0.67 -8.03 0.00 5.85 -0.89 -3.46 115.31 111.12 1svm h LEU 397 Ca 0.00 -0.52 -0.15 0.00 0.84 0.00 0.00 57.88 58.05 1svm h LEU 397 Cb 0.51 -0.20 -0.19 0.00 0.37 0.00 0.00 40.66 41.15 1svm h LEU 397 CO 0.00 1.31 -0.67 -0.76 -0.34 0.00 0.00 178.44 177.99 1svm s LEU 398 N -7.90 2.23 0.47 2.25 1.02 -1.25 -4.85 118.68 110.64 1svm s LEU 398 Ca -0.07 -0.63 -0.23 0.00 0.02 0.00 0.00 54.13 53.22 1svm s LEU 398 Cb 0.08 0.21 -0.07 0.00 0.02 0.00 0.00 46.19 46.43 1svm s LEU 398 CO 0.88 -0.41 1.21 -2.84 0.02 0.00 0.00 176.35 175.21 1svm s PRO 399 N -2.28 3.68 -1.61 1.29 0.02 -1.26 -3.09 135.00 131.74 1svm s PRO 399 Ca -0.08 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 1svm s PRO 399 Cb -0.04 -2.42 0.09 0.00 0.02 0.00 0.00 34.50 32.15 1svm s PRO 399 CO -0.04 -0.65 0.54 1.63 -0.33 0.00 0.00 177.00 178.15 1svm n LYS 400 N -0.51 -2.68 -0.23 5.54 5.02 -1.26 -4.76 118.16 119.28 1svm n LYS 400 Ca 0.07 0.32 0.03 0.00 -2.02 0.00 0.00 58.31 56.72 1svm n LYS 400 Cb 0.47 -4.67 0.14 0.00 -0.02 0.00 0.00 35.03 30.95 1svm n LYS 400 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1svm h MET 401 N -1.59 0.15 -0.14 1.97 4.05 -1.81 0.58 114.93 118.15 1svm h MET 401 Ca -0.61 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 58.79 1svm h MET 401 Cb 1.38 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1svm h MET 401 CO 0.73 0.10 0.04 0.38 0.23 0.00 0.00 176.91 178.39 1svm h ASP 402 N 0.16 0.16 0.36 1.39 3.04 -1.91 -0.92 116.42 118.70 1svm h ASP 402 Ca 0.37 -0.01 -0.21 0.00 -3.24 0.00 0.00 57.03 53.94 1svm h ASP 402 Cb 0.63 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.88 1svm h ASP 402 CO -0.56 0.17 -0.88 0.28 -2.04 0.00 0.00 179.24 176.21 1svm h SER 403 N 0.19 0.47 -0.24 4.15 0.02 -1.29 -1.56 113.55 115.29 1svm h SER 403 Ca 0.05 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1svm h SER 403 Cb 0.07 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1svm h SER 403 CO -0.00 1.14 0.15 0.58 -1.14 0.00 0.00 176.83 177.56 1svm h VAL 404 N 0.22 1.09 -0.31 2.27 2.07 -0.21 0.11 116.25 121.49 1svm h VAL 404 Ca -0.06 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1svm h VAL 404 Cb 1.50 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1svm h VAL 404 CO 0.15 0.08 0.15 0.58 0.02 0.00 0.00 177.57 178.55 1svm h VAL 405 N 0.30 1.16 -0.28 2.57 2.07 -1.17 -0.26 116.25 120.64 1svm h VAL 405 Ca 0.09 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1svm h VAL 405 Cb 0.01 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1svm h VAL 405 CO -0.02 0.17 0.15 0.22 0.02 0.00 0.00 177.57 178.11 1svm h TYR 406 N 0.37 0.28 -0.91 1.57 3.20 -1.05 -1.44 116.97 118.98 1svm h TYR 406 Ca 0.11 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1svm h TYR 406 Cb 0.13 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1svm h TYR 406 CO -0.02 0.16 0.50 -0.44 -1.64 0.00 0.00 178.16 176.73 1svm h ASP 407 N 0.31 1.14 -0.40 -2.11 3.32 -0.58 -1.72 116.42 116.39 1svm h ASP 407 Ca 0.11 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1svm h ASP 407 Cb 0.02 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1svm h ASP 407 CO -0.07 0.91 0.24 0.15 -1.72 0.00 0.00 179.24 178.75 1svm h PHE 408 N 1.28 0.53 -0.67 4.55 3.57 -0.57 -0.66 116.94 124.96 1svm h PHE 408 Ca 0.32 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.85 1svm h PHE 408 Cb 0.02 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1svm h PHE 408 CO 0.01 0.37 0.41 -0.07 -2.23 0.00 0.00 178.31 176.81 1svm h LEU 409 N 0.53 0.67 -0.80 0.59 3.38 -0.88 0.09 115.31 118.88 1svm h LEU 409 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1svm h LEU 409 Cb -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1svm h LEU 409 CO -0.03 0.46 0.42 0.11 0.09 0.00 0.00 178.44 179.50 1svm h LYS 410 N 0.80 1.13 -0.45 1.13 1.79 -0.90 0.13 116.57 120.20 1svm h LYS 410 Ca 0.27 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1svm h LYS 410 Cb 0.04 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1svm h LYS 410 CO -0.12 0.84 0.19 0.00 -1.08 0.00 0.00 179.45 179.29 1svm h MET 412 N 0.59 0.69 -0.05 0.00 2.86 -0.66 -1.71 114.93 116.65 1svm h MET 412 Ca 0.15 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1svm h MET 412 Cb 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1svm h MET 412 CO -0.01 0.83 -0.23 0.28 1.06 0.00 0.00 176.91 178.84 1svm h VAL 413 N 0.61 1.45 -0.43 -2.22 2.07 -0.78 -3.27 116.25 113.68 1svm h VAL 413 Ca 0.09 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 1svm h VAL 413 Cb 0.67 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1svm h VAL 413 CO 0.05 0.47 0.06 1.88 0.02 0.00 0.00 177.57 180.05 1svm h TYR 414 N -0.28 0.68 -6.40 1.57 -1.99 -0.87 -3.44 116.97 106.24 1svm h TYR 414 Ca -0.01 -0.06 -0.48 0.00 2.00 0.00 0.00 58.73 60.17 1svm h TYR 414 Cb 0.88 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.39 1svm h TYR 414 CO 0.13 0.61 -0.89 -1.71 -0.00 0.00 0.00 178.16 176.31 1svm n ASN 415 N -4.28 -1.18 -4.70 3.88 4.05 -0.65 -4.89 115.26 107.50 1svm n ASN 415 Ca 0.03 -0.99 -0.42 0.00 0.45 0.00 0.00 54.58 53.65 1svm n ASN 415 Cb 0.23 -3.22 -0.03 0.00 1.23 0.00 0.00 39.78 37.99 1svm n ASN 415 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1svm s ILE 416 N -3.85 4.40 0.07 -1.44 1.01 -1.26 -4.95 121.20 115.18 1svm s ILE 416 Ca 0.08 1.71 -0.37 0.00 0.00 0.00 0.00 60.65 62.07 1svm s ILE 416 Cb -0.03 -4.10 -0.18 0.00 0.01 0.00 0.00 42.46 38.17 1svm s ILE 416 CO 0.87 0.07 1.23 -2.65 0.00 0.00 0.00 174.94 174.47 1svm n PRO 417 N 4.46 0.79 -1.17 2.79 -0.02 -1.26 -0.53 135.00 140.06 1svm n PRO 417 Ca 0.09 0.28 -0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1svm n PRO 417 Cb 0.48 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1svm n PRO 417 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1svm n LYS 418 N 2.13 -1.74 -2.72 -0.52 4.81 0.33 -4.77 118.16 115.68 1svm n LYS 418 Ca 0.19 0.69 -0.05 0.00 -0.87 0.00 0.00 58.31 58.27 1svm n LYS 418 Cb 0.16 -5.09 0.04 0.00 0.02 0.00 0.00 35.03 30.17 1svm n LYS 418 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1svm n LYS 419 N -0.17 1.79 -0.00 1.64 5.02 0.31 -4.67 118.16 122.08 1svm n LYS 419 Ca -0.06 -3.53 0.06 0.00 -2.02 0.00 0.00 58.31 52.76 1svm n LYS 419 Cb 0.53 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 1svm n LYS 419 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1svm n ARG 420 N -0.48 1.91 -5.09 1.97 1.74 -1.20 -4.38 116.66 111.12 1svm n ARG 420 Ca 0.11 -0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.83 1svm n ARG 420 Cb 0.81 -1.16 -0.15 0.00 -1.02 0.00 0.00 32.46 30.95 1svm n ARG 420 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1svm s TYR 421 N -2.43 2.46 -0.07 -1.55 1.51 -1.25 -1.81 117.35 114.21 1svm s TYR 421 Ca 0.01 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1svm s TYR 421 Cb 0.08 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1svm s TYR 421 CO 0.49 0.07 -0.06 -1.58 -1.11 0.00 0.00 175.55 173.36 1svm s TRP 422 N -0.69 2.95 -0.22 2.71 0.52 -0.71 -0.97 118.94 122.54 1svm s TRP 422 Ca 0.11 0.03 -0.05 0.00 0.02 0.00 0.00 56.10 56.21 1svm s TRP 422 Cb -0.10 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1svm s TRP 422 CO 0.00 0.34 0.00 -1.17 0.02 0.00 0.00 176.95 176.15 1svm s LEU 423 N -0.84 3.16 -0.33 2.99 2.96 0.64 -1.67 118.68 125.60 1svm s LEU 423 Ca 0.13 -0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 1svm s LEU 423 Cb -0.11 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1svm s LEU 423 CO 0.02 0.01 0.26 -0.36 -1.32 0.00 0.00 176.35 174.96 1svm s PHE 424 N 1.32 3.22 0.01 5.38 0.40 0.85 -0.39 117.98 128.77 1svm s PHE 424 Ca 0.04 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 1svm s PHE 424 Cb -0.15 -2.50 -0.02 0.00 0.51 0.00 0.00 43.02 40.87 1svm s PHE 424 CO 0.01 -0.33 -0.16 0.21 0.70 0.00 0.00 175.22 175.64 1svm s LYS 425 N 1.81 1.20 0.00 0.44 2.20 -0.25 -1.44 119.74 123.69 1svm s LYS 425 Ca 0.08 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1svm s LYS 425 Cb -0.17 -1.20 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 1svm s LYS 425 CO 0.11 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 1svm n GLY 426 N 2.33 1.32 3.61 5.54 0.00 -1.07 -0.20 105.19 116.72 1svm n GLY 426 Ca -0.16 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 1svm n GLY 426 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1svm s PRO 427 N -2.00 -0.39 0.43 1.61 0.02 -1.26 -4.03 135.00 129.38 1svm s PRO 427 Ca 0.00 0.40 -0.25 0.00 0.02 0.00 0.00 61.00 61.17 1svm s PRO 427 Cb 0.00 -1.65 -0.10 0.00 0.02 0.00 0.00 34.50 32.77 1svm s PRO 427 CO 0.00 -3.25 1.20 -0.89 -0.33 0.00 0.00 177.00 173.73 1svm n ILE 428 N -4.52 2.62 -3.86 2.83 5.41 -1.26 -3.14 119.36 117.44 1svm n ILE 428 Ca 0.07 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 63.07 1svm n ILE 428 Cb 0.58 -1.45 -0.00 0.00 -0.71 0.00 0.00 39.64 38.05 1svm n ILE 428 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1svm n ASP 429 N 0.21 -0.99 -0.30 4.38 8.00 -1.26 -4.89 116.55 121.70 1svm n ASP 429 Ca 0.08 -0.96 0.06 0.00 0.71 0.00 0.00 54.79 54.68 1svm n ASP 429 Cb 0.40 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 1svm n ASP 429 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1svm n SER 430 N -2.98 1.43 0.00 -2.24 3.41 -1.19 -4.61 113.62 107.45 1svm n SER 430 Ca -0.29 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1svm n SER 430 Cb 0.68 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 1svm n SER 430 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1svm n GLY 431 N 1.00 0.96 0.36 5.00 0.00 -1.26 -4.19 105.19 107.05 1svm n GLY 431 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 1svm n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1svm h LYS 432 N 3.19 -0.78 -0.62 1.61 1.57 -1.94 -2.07 116.57 117.53 1svm h LYS 432 Ca 0.00 0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1svm h LYS 432 Cb 0.00 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1svm h LYS 432 CO 0.00 -0.52 0.06 1.15 -0.57 0.00 0.00 179.45 179.57 1svm h THR 433 N -0.81 1.26 -0.09 -0.16 2.02 -1.98 -0.69 112.91 112.46 1svm h THR 433 Ca -0.07 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.08 1svm h THR 433 Cb 0.65 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1svm h THR 433 CO 0.08 0.39 -0.11 0.74 0.37 0.00 0.00 175.52 176.99 1svm h THR 434 N 0.97 0.70 -0.30 3.16 2.02 -1.91 0.16 112.91 117.71 1svm h THR 434 Ca 0.19 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.20 1svm h THR 434 Cb 0.48 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1svm h THR 434 CO 0.02 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 175.71 1svm h LEU 435 N -0.14 0.91 -0.58 2.58 5.85 -1.28 -2.63 115.31 120.02 1svm h LEU 435 Ca 0.07 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 1svm h LEU 435 Cb 0.25 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1svm h LEU 435 CO -0.18 1.25 0.26 0.00 -0.34 0.00 0.00 178.44 179.42 1svm h ALA 436 N 0.70 0.75 -0.80 1.25 0.00 -0.92 -0.14 119.26 120.09 1svm h ALA 436 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1svm h ALA 436 Cb 1.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1svm h ALA 436 CO 0.10 0.34 0.43 0.00 0.00 0.00 0.00 179.25 180.12 1svm h ALA 437 N 1.10 1.02 -0.29 0.00 0.00 -0.68 0.13 119.26 120.54 1svm h ALA 437 Ca 0.20 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1svm h ALA 437 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1svm h ALA 437 CO -0.02 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.76 1svm h ALA 438 N 1.23 0.39 -0.51 0.00 0.00 -1.08 -1.53 119.26 117.76 1svm h ALA 438 Ca 0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1svm h ALA 438 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1svm h ALA 438 CO -0.04 0.15 0.12 -0.07 0.00 0.00 0.00 179.25 179.40 1svm h LEU 439 N 0.31 0.72 -0.09 0.00 3.38 -0.76 0.93 115.31 119.80 1svm h LEU 439 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1svm h LEU 439 Cb 0.45 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1svm h LEU 439 CO 0.02 0.72 0.06 0.25 0.09 0.00 0.00 178.44 179.58 1svm h LEU 440 N 0.75 0.11 -0.79 1.67 6.46 -0.48 -1.56 115.31 121.47 1svm h LEU 440 Ca 0.17 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.80 1svm h LEU 440 Cb 0.29 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1svm h LEU 440 CO -0.00 0.09 -0.35 -0.08 -0.62 0.00 0.00 178.44 177.48 1svm h GLU 441 N 0.12 0.51 -0.97 1.25 4.81 -0.93 0.40 114.58 119.76 1svm h GLU 441 Ca 0.03 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1svm h GLU 441 Cb -0.00 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1svm h GLU 441 CO -0.01 0.79 0.61 1.25 -0.73 0.00 0.00 179.01 180.92 1svm h LEU 442 N 0.43 1.14 0.00 1.64 5.85 -0.42 -3.25 115.31 120.71 1svm h LEU 442 Ca 0.05 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1svm h LEU 442 Cb 0.81 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1svm h LEU 442 CO 0.07 0.85 -1.94 0.00 -0.34 0.00 0.00 178.44 177.08 1svm n GLY 444 N 1.44 -1.33 0.00 0.00 0.00 0.14 -4.86 105.19 100.58 1svm n GLY 444 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1svm n GLY 444 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1svm n GLY 445 N -0.21 -0.01 3.06 -0.02 0.00 -1.26 -3.66 105.19 103.09 1svm n GLY 445 Ca 0.00 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 1svm n GLY 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1svm s LYS 446 N -2.00 0.52 -0.19 1.61 -0.14 -0.97 -4.99 119.74 113.59 1svm s LYS 446 Ca 0.00 -1.00 -0.06 0.00 -1.36 0.00 0.00 55.97 53.55 1svm s LYS 446 Cb 0.00 0.12 -0.03 0.00 -1.68 0.00 0.00 37.83 36.23 1svm s LYS 446 CO 0.00 -0.07 0.03 0.00 -0.76 0.00 0.00 175.35 174.55 1svm s ALA 447 N -2.94 3.22 0.04 5.17 0.00 -1.26 -1.02 121.76 124.96 1svm s ALA 447 Ca -0.01 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1svm s ALA 447 Cb 0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1svm s ALA 447 CO -0.06 0.05 -0.11 -0.51 0.00 0.00 0.00 175.76 175.12 1svm s LEU 448 N 0.64 2.96 -0.35 0.00 1.43 0.11 -4.92 118.68 118.54 1svm s LEU 448 Ca 0.01 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1svm s LEU 448 Cb -0.14 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.42 1svm s LEU 448 CO 0.02 0.25 0.12 0.21 0.23 0.00 0.00 176.35 177.19 1svm s ASN 449 N -1.58 5.29 -0.29 2.29 3.84 -1.26 -2.72 114.94 120.51 1svm s ASN 449 Ca 0.17 -1.33 0.12 0.00 0.21 0.00 0.00 52.86 52.02 1svm s ASN 449 Cb -0.11 -1.86 0.70 0.00 -0.55 0.00 0.00 41.25 39.44 1svm s ASN 449 CO 0.08 -0.38 1.71 1.33 -2.79 0.00 0.00 177.10 177.05 1svm n VAL 450 N 4.77 2.78 0.89 -5.21 0.24 -1.26 -4.27 118.33 116.27 1svm n VAL 450 Ca -0.11 -1.76 0.11 0.00 -2.04 0.00 0.00 64.34 60.55 1svm n VAL 450 Cb 0.44 -0.33 0.12 0.00 -1.47 0.00 0.00 33.84 32.60 1svm n VAL 450 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1svm n ASN 451 N -0.20 0.64 -4.65 -1.34 3.02 -1.26 -4.13 115.26 107.34 1svm n ASN 451 Ca 0.35 -0.38 -0.28 0.00 -0.03 0.00 0.00 54.58 54.24 1svm n ASN 451 Cb 1.25 0.51 0.12 0.00 -0.61 0.00 0.00 39.78 41.05 1svm n ASN 451 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1svm s LEU 452 N -3.25 2.69 0.45 3.41 1.43 -1.26 -4.76 118.68 117.39 1svm s LEU 452 Ca 0.09 0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 53.38 1svm s LEU 452 Cb 0.16 -2.82 -0.09 0.00 0.03 0.00 0.00 46.19 43.48 1svm s LEU 452 CO 0.76 -2.09 1.35 -2.65 0.23 0.00 0.00 176.35 173.95 1svm n PRO 453 N -3.32 2.05 0.25 1.29 -0.02 -1.26 -4.85 135.00 129.14 1svm n PRO 453 Ca 0.11 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.49 1svm n PRO 453 Cb 0.60 -2.52 0.85 0.00 -0.02 0.00 0.00 33.50 32.41 1svm n PRO 453 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1svm h LEU 454 N 2.10 0.00 0.00 2.45 4.07 -1.94 -1.86 115.31 120.13 1svm h LEU 454 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1svm h LEU 454 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1svm h LEU 454 CO 0.60 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.43 1svm n ASP 455 N -2.74 0.00 0.00 -0.43 10.43 -1.26 -1.93 116.55 120.61 1svm n ASP 455 Ca -0.01 0.48 0.00 0.00 2.57 0.00 0.00 54.79 57.83 1svm n ASP 455 Cb 0.13 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.60 1svm n ASP 455 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1svm n ARG 456 N -1.49 -0.22 0.17 -1.24 5.12 -0.73 -4.73 116.66 113.54 1svm n ARG 456 Ca 0.05 -0.44 -0.14 0.00 -1.93 0.00 0.00 57.85 55.39 1svm n ARG 456 Cb 0.23 -0.94 -0.08 0.00 -1.16 0.00 0.00 32.46 30.51 1svm n ARG 456 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1svm h LEU 457 N 0.00 -0.33 -1.70 0.55 5.85 -1.05 -2.56 115.31 116.07 1svm h LEU 457 Ca 0.00 -0.08 0.22 0.00 0.84 0.00 0.00 57.88 58.86 1svm h LEU 457 Cb 0.01 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1svm h LEU 457 CO 0.00 -0.13 0.59 0.78 -0.34 0.00 0.00 178.44 179.34 1svm h ASN 458 N -0.52 0.24 0.42 1.25 2.35 -1.85 0.23 115.58 117.70 1svm h ASN 458 Ca -0.04 0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.51 1svm h ASN 458 Cb 0.39 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1svm h ASN 458 CO 0.07 0.10 -0.98 0.15 -1.65 0.00 0.00 177.43 175.11 1svm h PHE 459 N 0.24 0.54 -0.46 1.19 3.57 -1.81 -2.33 116.94 117.90 1svm h PHE 459 Ca 0.44 -0.31 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1svm h PHE 459 Cb 1.33 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1svm h PHE 459 CO -0.00 1.14 -0.17 1.49 -2.23 0.00 0.00 178.31 178.54 1svm h GLU 460 N 0.19 0.89 -0.06 1.11 4.57 -0.28 -2.63 114.58 118.38 1svm h GLU 460 Ca -0.08 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 57.68 1svm h GLU 460 Cb 1.63 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.16 1svm h GLU 460 CO 0.16 0.99 -0.33 -0.07 -1.18 0.00 0.00 179.01 178.59 1svm h LEU 461 N 0.78 0.11 -2.65 1.64 3.38 -0.65 -2.48 115.31 115.44 1svm h LEU 461 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1svm h LEU 461 Cb 0.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1svm h LEU 461 CO 0.05 0.44 0.00 1.23 0.09 0.00 0.00 178.44 180.25 1svm h GLY 462 N 1.05 0.00 2.00 0.83 0.00 -1.02 -1.74 103.07 104.18 1svm h GLY 462 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1svm h GLY 462 CO 0.05 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.44 1svm h VAL 463 N 0.00 0.33 0.00 4.60 2.07 -1.48 -2.59 116.25 119.19 1svm h VAL 463 Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1svm h VAL 463 Cb 0.09 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1svm h VAL 463 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1svm n ALA 464 N -2.20 1.90 -1.63 1.67 0.00 -0.66 -4.81 120.51 114.79 1svm n ALA 464 Ca -0.02 0.04 -0.54 0.00 0.00 0.00 0.00 53.44 52.92 1svm n ALA 464 Cb 0.22 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 1svm n ALA 464 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1svm n ILE 465 N -2.21 0.10 -1.20 0.00 5.41 -0.98 -0.74 119.36 119.74 1svm n ILE 465 Ca 0.03 -0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.70 1svm n ILE 465 Cb 0.30 -0.92 -0.03 0.00 -0.71 0.00 0.00 39.64 38.28 1svm n ILE 465 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1svm n ASP 466 N 3.45 -5.39 -4.85 4.38 8.00 -1.26 -4.99 116.55 115.89 1svm n ASP 466 Ca 0.21 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.56 1svm n ASP 466 Cb 0.16 -3.51 -0.06 0.00 -0.02 0.00 0.00 41.12 37.70 1svm n ASP 466 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1svm s GLN 467 N -2.41 3.99 0.09 -1.24 -1.52 0.08 -4.96 119.66 113.69 1svm s GLN 467 Ca 0.00 0.62 -0.15 0.00 -1.95 0.00 0.00 55.36 53.89 1svm s GLN 467 Cb 0.00 -2.49 -0.11 0.00 -0.22 0.00 0.00 33.01 30.18 1svm s GLN 467 CO 0.00 0.20 1.36 0.35 -0.25 0.00 0.00 175.29 176.95 1svm h PHE 468 N 2.38 0.89 -3.54 0.91 3.57 -1.88 -3.43 116.94 115.83 1svm h PHE 468 Ca -0.48 -0.32 -0.05 0.00 3.53 0.00 0.00 57.97 60.65 1svm h PHE 468 Cb 1.17 -0.17 -0.11 0.00 2.79 0.00 0.00 35.95 39.64 1svm h PHE 468 CO 0.62 1.09 -0.11 -0.48 -2.23 0.00 0.00 178.31 177.20 1svm s LEU 469 N -8.78 0.44 0.06 0.59 0.05 -1.24 -4.25 118.68 105.54 1svm s LEU 469 Ca -0.12 -0.65 0.05 0.00 0.05 0.00 0.00 54.13 53.46 1svm s LEU 469 Cb 0.08 1.76 -0.03 0.00 -2.05 0.00 0.00 46.19 45.96 1svm s LEU 469 CO 0.85 -1.00 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.83 1svm s VAL 470 N -3.92 1.05 -0.17 1.48 1.01 -0.55 -2.28 120.40 117.02 1svm s VAL 470 Ca 0.13 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1svm s VAL 470 Cb 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1svm s VAL 470 CO -0.01 -0.15 -0.14 -0.69 0.00 0.00 0.00 175.10 174.11 1svm s VAL 471 N -1.10 1.71 -0.73 2.92 1.01 -0.19 -1.33 120.40 122.70 1svm s VAL 471 Ca -0.01 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 1svm s VAL 471 Cb -0.09 -1.64 0.11 0.00 0.00 0.00 0.00 36.38 34.76 1svm s VAL 471 CO 0.02 0.40 0.93 -0.36 0.00 0.00 0.00 175.10 176.08 1svm s PHE 472 N 1.41 2.95 0.16 5.22 0.08 0.63 0.04 117.98 128.47 1svm s PHE 472 Ca 0.03 -0.99 -0.30 0.00 0.12 0.00 0.00 56.93 55.79 1svm s PHE 472 Cb -0.14 -4.19 -0.07 0.00 -0.57 0.00 0.00 43.02 38.05 1svm s PHE 472 CO -0.10 -1.47 1.02 -1.21 -0.10 0.00 0.00 175.22 173.36 1svm s GLU 473 N 3.06 4.67 -1.35 0.44 0.41 -1.10 -1.68 118.70 123.15 1svm s GLU 473 Ca 0.22 1.58 -0.14 0.00 -0.41 0.00 0.00 54.97 56.23 1svm s GLU 473 Cb -0.15 -3.32 0.01 0.00 -1.78 0.00 0.00 34.13 28.90 1svm s GLU 473 CO 0.02 0.20 0.43 -3.47 -0.49 0.00 0.00 175.26 171.95 1svm n ASP 474 N 2.39 -1.86 -4.70 -0.19 4.64 -0.97 -4.75 116.55 111.12 1svm n ASP 474 Ca 0.02 -1.17 -0.42 0.00 -1.38 0.00 0.00 54.79 51.83 1svm n ASP 474 Cb 0.47 -2.29 -0.03 0.00 -1.04 0.00 0.00 41.12 38.24 1svm n ASP 474 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1svm s VAL 475 N -3.88 3.49 -0.05 5.18 1.01 -0.44 -4.94 120.40 120.77 1svm s VAL 475 Ca 0.22 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 1svm s VAL 475 Cb -0.11 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1svm s VAL 475 CO 0.94 0.02 0.38 -0.75 0.00 0.00 0.00 175.10 175.70 1svm s LYS 476 N 1.99 4.00 0.00 2.72 2.20 -1.26 -4.44 119.74 124.95 1svm s LYS 476 Ca 0.65 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1svm s LYS 476 Cb -0.34 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1svm s LYS 476 CO 0.28 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 176.23 1svm n GLY 477 N 2.31 2.89 0.01 5.54 0.00 -1.26 -1.40 105.19 113.28 1svm n GLY 477 Ca -0.13 -2.15 -0.01 0.00 0.00 0.00 0.00 46.02 43.73 1svm n GLY 477 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1svm n THR 478 N -0.58 0.13 -2.92 2.61 -2.24 -1.26 -0.43 114.28 109.60 1svm n THR 478 Ca 0.00 -0.10 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 1svm n THR 478 Cb 0.00 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.67 1svm n THR 478 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1svm s GLY 479 N -3.05 2.21 0.00 3.38 0.00 -1.26 -3.96 107.32 104.63 1svm s GLY 479 Ca -0.01 -3.14 0.00 0.00 0.00 0.00 0.00 44.72 41.57 1svm s GLY 479 CO 0.11 2.08 0.00 0.61 0.00 0.00 0.00 173.10 175.90 1svm n GLY 480 N 4.64 0.00 0.00 0.20 0.00 -1.26 -2.13 105.19 106.64 1svm n GLY 480 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.36 1svm n GLY 480 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1svm n GLU 481 N 0.00 0.47 -0.06 1.61 0.28 -1.20 -2.41 120.64 119.32 1svm n GLU 481 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1svm n GLU 481 Cb 0.00 -1.05 -0.13 0.00 1.43 0.00 0.00 31.44 31.70 1svm n GLU 481 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1svm n SER 482 N -0.55 2.03 -1.38 -1.84 3.41 -1.26 -4.25 113.62 109.78 1svm n SER 482 Ca 0.01 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1svm n SER 482 Cb 0.01 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1svm n SER 482 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1svm n ARG 483 N -3.69 0.89 -1.90 4.33 3.00 -1.01 -4.68 116.66 113.60 1svm n ARG 483 Ca -0.38 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.26 1svm n ARG 483 Cb 0.95 -1.05 -0.06 0.00 0.00 0.00 0.00 32.46 32.30 1svm n ARG 483 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1svm n ASP 484 N 1.24 -5.63 -4.50 0.55 8.00 -1.26 -4.96 116.55 110.00 1svm n ASP 484 Ca 0.00 0.32 -0.40 0.00 0.71 0.00 0.00 54.79 55.42 1svm n ASP 484 Cb 0.45 -4.86 -0.11 0.00 -0.02 0.00 0.00 41.12 36.58 1svm n ASP 484 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1svm s LEU 485 N -5.23 4.36 0.99 0.64 1.43 -1.21 -5.06 118.68 114.59 1svm s LEU 485 Ca 0.00 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1svm s LEU 485 Cb 0.00 -2.09 0.12 0.00 0.03 0.00 0.00 46.19 44.25 1svm s LEU 485 CO 0.00 -0.22 0.70 -2.65 0.23 0.00 0.00 176.35 174.42 1svm n PRO 486 N 5.06 -0.78 -3.88 1.29 -0.02 -1.26 -3.26 135.00 132.14 1svm n PRO 486 Ca -0.13 -0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 60.86 1svm n PRO 486 Cb 0.49 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1svm n PRO 486 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1svm s SER 487 N -2.27 6.38 0.30 2.55 0.01 -1.26 -4.65 113.70 114.76 1svm s SER 487 Ca 0.62 0.31 -0.14 0.00 1.31 0.00 0.00 55.95 58.05 1svm s SER 487 Cb -0.21 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.06 1svm s SER 487 CO 0.64 0.14 0.60 -0.83 0.41 0.00 0.00 173.24 174.20 1svm s GLY 488 N -2.56 0.52 0.00 3.44 0.00 0.43 -4.94 107.32 104.20 1svm s GLY 488 Ca 0.36 -0.83 0.19 0.00 0.00 0.00 0.00 44.72 44.44 1svm s GLY 488 CO 0.28 -0.49 1.40 -1.06 0.00 0.00 0.00 173.10 173.23 1svm n GLN 489 N -0.46 2.66 -0.04 2.90 1.13 -1.25 -4.00 117.38 118.32 1svm n GLN 489 Ca -0.03 -2.37 -0.09 0.00 -1.94 0.00 0.00 57.00 52.57 1svm n GLN 489 Cb 0.61 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.47 1svm n GLN 489 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1svm h GLY 490 N 3.53 0.17 0.99 1.08 0.00 -1.43 0.20 103.07 107.60 1svm h GLY 490 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1svm h GLY 490 CO 0.00 -0.05 0.20 -2.22 0.00 0.00 0.00 176.54 174.48 1svm h ILE 491 N 0.04 1.23 -0.77 2.60 1.08 -1.49 -1.39 117.51 118.80 1svm h ILE 491 Ca 0.09 -0.73 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 1svm h ILE 491 Cb 0.12 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 1svm h ILE 491 CO -0.16 0.28 0.39 0.78 -0.69 0.00 0.00 178.15 178.74 1svm h ASN 492 N 0.76 0.99 -0.48 1.72 2.35 -1.74 -1.72 115.58 117.45 1svm h ASN 492 Ca 0.18 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1svm h ASN 492 Cb 0.23 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1svm h ASN 492 CO -0.01 0.82 0.15 0.78 -1.65 0.00 0.00 177.43 177.52 1svm h ASN 493 N 1.09 0.70 -0.42 5.81 2.35 -0.13 -2.73 115.58 122.26 1svm h ASN 493 Ca 0.27 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1svm h ASN 493 Cb 0.08 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1svm h ASN 493 CO -0.04 0.73 0.05 -0.07 -1.65 0.00 0.00 177.43 176.45 1svm h LEU 494 N 0.64 0.75 -1.51 1.61 3.38 -0.92 -1.77 115.31 117.49 1svm h LEU 494 Ca 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1svm h LEU 494 Cb 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1svm h LEU 494 CO -0.00 0.79 0.00 -0.78 0.09 0.00 0.00 178.44 178.53 1svm h ASP 495 N 0.74 0.00 -0.14 -0.43 1.82 -1.11 0.22 116.42 117.54 1svm h ASP 495 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1svm h ASP 495 Cb 0.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1svm h ASP 495 CO 0.01 0.00 0.00 0.59 -1.61 0.00 0.00 179.24 178.23 1svm n ASN 496 N -2.75 1.93 -1.41 2.28 3.02 -0.68 -3.96 115.26 113.70 1svm n ASN 496 Ca 0.00 -1.70 -0.08 0.00 -0.03 0.00 0.00 54.58 52.76 1svm n ASN 496 Cb 0.21 -0.08 0.10 0.00 -0.61 0.00 0.00 39.78 39.40 1svm n ASN 496 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1svm n LEU 497 N 0.50 3.60 -0.07 3.41 4.77 0.07 -4.78 117.00 124.49 1svm n LEU 497 Ca 0.17 -4.16 0.10 0.00 -0.03 0.00 0.00 56.01 52.09 1svm n LEU 497 Cb 0.39 -0.37 0.48 0.00 -2.33 0.00 0.00 43.42 41.59 1svm n LEU 497 CO 0.15 1.67 1.18 0.03 -1.33 0.00 0.00 177.39 179.09 1svm h ARG 498 N 1.63 0.44 -0.99 3.23 3.08 -1.68 0.12 114.38 120.21 1svm h ARG 498 Ca 0.15 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1svm h ARG 498 Cb 1.31 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 1svm h ARG 498 CO 0.37 0.29 0.65 0.22 -1.07 0.00 0.00 179.97 180.43 1svm h ASP 499 N 0.46 1.15 -0.01 7.04 -0.00 -1.92 -0.86 116.42 122.27 1svm h ASP 499 Ca 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.24 1svm h ASP 499 Cb 0.40 -0.29 0.00 0.00 -0.00 0.00 0.00 39.33 39.44 1svm h ASP 499 CO -0.07 0.83 -0.03 1.88 -0.00 0.00 0.00 179.24 181.86 1svm h TYR 500 N 1.35 0.05 -0.33 0.28 -1.99 -1.14 -3.20 116.97 111.99 1svm h TYR 500 Ca 0.36 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.99 1svm h TYR 500 Cb -0.15 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1svm h TYR 500 CO -0.00 0.62 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.57 1svm h LEU 501 N -0.53 0.56 -0.57 3.88 3.38 -1.23 -3.14 115.31 117.65 1svm h LEU 501 Ca -0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1svm h LEU 501 Cb 0.62 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1svm h LEU 501 CO 0.01 0.73 0.19 0.44 0.09 0.00 0.00 178.44 179.89 1svm h ASP 502 N 0.52 0.82 -2.00 -0.43 3.32 -1.25 -3.42 116.42 113.98 1svm h ASP 502 Ca 0.09 -0.20 -0.30 0.00 0.02 0.00 0.00 57.03 56.64 1svm h ASP 502 Cb 0.55 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1svm h ASP 502 CO 0.03 0.80 -0.37 0.61 -1.72 0.00 0.00 179.24 178.59 1svm n GLY 503 N -0.72 -0.08 0.12 2.75 0.00 -1.19 -0.51 105.19 105.55 1svm n GLY 503 Ca 0.03 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1svm n GLY 503 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1svm n SER 504 N -0.82 1.96 -4.79 1.61 7.64 -1.26 -4.69 113.62 113.27 1svm n SER 504 Ca -0.18 0.28 -0.28 0.00 1.01 0.00 0.00 58.87 59.70 1svm n SER 504 Cb 0.62 -0.83 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 1svm n SER 504 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1svm s VAL 505 N -2.47 4.50 0.24 0.44 1.01 -1.26 -5.07 120.40 117.79 1svm s VAL 505 Ca -0.31 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 1svm s VAL 505 Cb 0.09 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1svm s VAL 505 CO 0.61 0.01 1.02 -0.54 0.00 0.00 0.00 175.10 176.20 1svm s LYS 506 N -2.75 4.73 0.39 2.72 1.02 -1.26 -4.63 119.74 119.96 1svm s LYS 506 Ca 0.30 1.64 0.08 0.00 0.02 0.00 0.00 55.97 58.00 1svm s LYS 506 Cb -0.11 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 1svm s LYS 506 CO 0.23 0.33 0.41 0.14 -0.92 0.00 0.00 175.35 175.53 1svm s VAL 507 N -1.00 3.10 -0.43 3.17 -7.23 0.83 -4.77 120.40 114.07 1svm s VAL 507 Ca 0.44 -1.24 -0.08 0.00 -1.81 0.00 0.00 61.98 59.28 1svm s VAL 507 Cb -0.29 -3.09 0.09 0.00 0.56 0.00 0.00 36.38 33.66 1svm s VAL 507 CO 0.36 -0.06 0.26 0.20 -0.31 0.00 0.00 175.10 175.55 1svm s ASN 508 N -4.15 5.58 -0.01 4.85 -0.87 -1.26 -1.31 114.94 117.76 1svm s ASN 508 Ca 0.47 -1.66 -0.09 0.00 -1.57 0.00 0.00 52.86 50.01 1svm s ASN 508 Cb -0.06 -1.96 -0.05 0.00 -0.02 0.00 0.00 41.25 39.16 1svm s ASN 508 CO 0.29 -0.57 0.29 -0.76 -2.57 0.00 0.00 177.10 173.79 1svm s LEU 509 N 1.37 4.40 -0.00 0.60 1.43 0.65 -4.99 118.68 122.13 1svm s LEU 509 Ca 0.04 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 1svm s LEU 509 Cb -0.24 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 1svm s LEU 509 CO 0.00 0.30 -0.22 -1.83 0.23 0.00 0.00 176.35 174.84 1svm s GLU 510 N -1.43 1.69 -0.08 1.70 -1.05 -1.26 -2.75 118.70 115.52 1svm s GLU 510 Ca 0.24 -0.81 -0.09 0.00 -0.15 0.00 0.00 54.97 54.17 1svm s GLU 510 Cb -0.14 -1.67 0.02 0.00 -0.44 0.00 0.00 34.13 31.90 1svm s GLU 510 CO 0.13 0.45 0.24 0.21 0.95 0.00 0.00 175.26 177.24 1svm s LYS 511 N -0.64 0.31 -0.89 -4.83 2.20 -1.10 -3.95 119.74 110.83 1svm s LYS 511 Ca 0.08 0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 55.91 1svm s LYS 511 Cb -0.08 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.39 1svm s LYS 511 CO -0.00 -0.04 0.78 1.17 -0.36 0.00 0.00 175.35 176.89 1svm n LYS 512 N 2.81 -5.23 -3.41 4.03 4.81 -1.26 -3.75 118.16 116.15 1svm n LYS 512 Ca -0.14 0.54 -0.20 0.00 -0.87 0.00 0.00 58.31 57.65 1svm n LYS 512 Cb 0.58 -4.72 0.05 0.00 0.02 0.00 0.00 35.03 30.96 1svm n LYS 512 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1svm n HIS 513 N -4.13 -2.29 0.00 5.64 -0.00 -1.26 -5.01 115.22 108.16 1svm n HIS 513 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.72 58.45 1svm n HIS 513 Cb 0.54 -3.83 0.00 0.00 -0.00 0.00 0.00 29.99 26.70 1svm n HIS 513 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1svm n LEU 514 N -3.45 0.00 -4.56 0.27 0.00 -1.25 -5.08 117.00 102.94 1svm n LEU 514 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.61 1svm n LEU 514 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.98 1svm n LEU 514 CO 0.62 0.00 1.44 0.20 0.00 0.00 0.00 177.39 179.64 1svm s ASN 515 N 0.00 5.28 -0.31 1.96 -0.87 -1.26 -2.72 114.94 117.03 1svm s ASN 515 Ca 0.00 -0.36 0.07 0.00 -1.57 0.00 0.00 52.86 51.00 1svm s ASN 515 Cb 0.00 -2.55 0.46 0.00 -0.02 0.00 0.00 41.25 39.14 1svm s ASN 515 CO 0.00 -2.53 1.27 0.29 -2.57 0.00 0.00 177.10 173.56 1svm n LYS 516 N 8.99 3.21 -3.15 -0.60 5.02 -1.20 -4.94 118.16 125.49 1svm n LYS 516 Ca 0.32 -3.95 0.05 0.00 -2.02 0.00 0.00 58.31 52.70 1svm n LYS 516 Cb 0.49 -2.18 -0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1svm n LYS 516 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1svm s ARG 517 N -3.56 0.34 -0.33 1.97 1.81 -1.11 -5.01 118.95 113.06 1svm s ARG 517 Ca 0.50 0.35 -0.12 0.00 -1.72 0.00 0.00 55.73 54.74 1svm s ARG 517 Cb 0.41 0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 35.06 1svm s ARG 517 CO 0.02 -0.63 0.21 0.99 -0.68 0.00 0.00 175.30 175.21 1svm s THR 518 N 2.90 5.09 0.24 0.02 2.01 -1.26 -0.25 115.64 124.39 1svm s THR 518 Ca 0.19 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.76 1svm s THR 518 Cb -0.06 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1svm s THR 518 CO -0.24 0.02 0.58 0.00 -0.69 0.00 0.00 174.62 174.29 1svm s GLN 519 N 1.69 1.57 0.11 4.92 -2.07 -0.43 -4.90 119.66 120.55 1svm s GLN 519 Ca 0.06 -1.02 -0.31 0.00 -1.82 0.00 0.00 55.36 52.27 1svm s GLN 519 Cb -0.17 0.54 -0.07 0.00 -1.09 0.00 0.00 33.01 32.21 1svm s GLN 519 CO 0.09 -0.68 1.33 0.42 -1.32 0.00 0.00 175.29 175.12 1svm s ILE 520 N -3.93 3.51 0.46 3.63 -1.09 -1.26 -0.12 121.20 122.39 1svm s ILE 520 Ca 0.14 1.10 -0.23 0.00 -2.23 0.00 0.00 60.65 59.42 1svm s ILE 520 Cb -0.03 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 1svm s ILE 520 CO 0.04 0.09 1.21 0.12 -1.23 0.00 0.00 174.94 175.18 1svm s PHE 521 N 0.99 2.78 0.69 3.97 5.36 -1.26 -4.91 117.98 125.59 1svm s PHE 521 Ca 0.62 1.50 -0.16 0.00 -0.96 0.00 0.00 56.93 57.93 1svm s PHE 521 Cb -0.35 -3.48 0.02 0.00 -0.34 0.00 0.00 43.02 38.87 1svm s PHE 521 CO 0.31 -1.79 1.18 -2.14 -1.46 0.00 0.00 175.22 171.32 1svm s PRO 522 N -2.66 2.44 1.01 10.12 0.02 -1.26 -4.76 135.00 139.91 1svm s PRO 522 Ca 0.64 1.68 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 1svm s PRO 522 Cb -0.32 -1.88 0.23 0.00 0.02 0.00 0.00 34.50 32.56 1svm s PRO 522 CO 0.39 -1.59 1.33 -0.35 -0.33 0.00 0.00 177.00 176.45 1svm n PRO 523 N -2.45 -1.45 -0.71 5.54 -0.04 -1.26 -4.65 135.00 129.99 1svm n PRO 523 Ca 0.13 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1svm n PRO 523 Cb 0.51 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1svm n PRO 523 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1svm n GLY 524 N -3.85 -0.55 3.29 0.55 0.00 -0.75 -1.49 105.19 102.38 1svm n GLY 524 Ca 0.17 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1svm n GLY 524 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1svm s ILE 525 N -3.81 1.67 -0.07 -0.61 1.01 -0.44 -1.73 121.20 117.21 1svm s ILE 525 Ca 0.00 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 59.04 1svm s ILE 525 Cb 0.00 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.90 1svm s ILE 525 CO 0.00 -0.15 -0.09 -0.69 0.00 0.00 0.00 174.94 174.01 1svm s VAL 526 N -1.42 0.92 0.00 2.92 1.01 -0.67 -0.27 120.40 122.89 1svm s VAL 526 Ca 0.08 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1svm s VAL 526 Cb -0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1svm s VAL 526 CO 0.05 0.32 -0.18 0.42 0.00 0.00 0.00 175.10 175.71 1svm s THR 527 N 1.05 2.76 0.14 3.92 -4.23 -0.68 -0.11 115.64 118.49 1svm s THR 527 Ca -0.08 -1.03 -0.24 0.00 -1.18 0.00 0.00 61.69 59.16 1svm s THR 527 Cb -0.14 -2.10 0.07 0.00 1.34 0.00 0.00 72.50 71.66 1svm s THR 527 CO -0.01 0.46 0.75 0.00 -0.54 0.00 0.00 174.62 175.29 1svm s MET 528 N -1.08 1.24 0.47 3.99 0.23 -0.52 -1.33 119.30 122.30 1svm s MET 528 Ca 0.13 -0.55 -0.07 0.00 -1.03 0.00 0.00 55.69 54.17 1svm s MET 528 Cb -0.10 0.51 0.11 0.00 -1.53 0.00 0.00 34.83 33.81 1svm s MET 528 CO 0.03 -0.55 0.65 0.09 -2.03 0.00 0.00 175.02 173.20 1svm n ASN 529 N -0.37 0.17 -3.30 -1.18 5.03 -1.26 -2.58 115.26 111.77 1svm n ASN 529 Ca -0.11 -1.31 -0.32 0.00 0.87 0.00 0.00 54.58 53.72 1svm n ASN 529 Cb 0.62 -0.48 -0.02 0.00 -1.02 0.00 0.00 39.78 38.88 1svm n ASN 529 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1svm n GLU 530 N -2.34 2.81 -2.56 3.52 1.02 -1.26 -4.58 120.64 117.25 1svm n GLU 530 Ca 0.08 -1.88 -0.22 0.00 -0.02 0.00 0.00 57.16 55.12 1svm n GLU 530 Cb 0.30 -2.68 0.04 0.00 -0.02 0.00 0.00 31.44 29.07 1svm n GLU 530 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1svm s TYR 531 N 2.95 2.91 0.20 -0.32 1.51 -1.26 -4.86 117.35 118.47 1svm s TYR 531 Ca 0.54 0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 56.44 1svm s TYR 531 Cb 0.14 -2.81 -0.08 0.00 -0.11 0.00 0.00 41.96 39.10 1svm s TYR 531 CO -0.04 -0.95 0.94 0.45 -1.11 0.00 0.00 175.55 174.84 1svm s SER 532 N -4.42 7.59 -0.18 2.29 0.15 -0.91 -5.03 113.70 113.19 1svm s SER 532 Ca 0.57 1.89 -0.00 0.00 0.70 0.00 0.00 55.95 59.11 1svm s SER 532 Cb -0.10 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1svm s SER 532 CO 0.40 0.10 -0.16 -0.69 1.20 0.00 0.00 173.24 174.09 1svm s VAL 533 N -0.82 2.50 0.55 4.45 1.01 -1.26 -4.78 120.40 122.05 1svm s VAL 533 Ca 0.42 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1svm s VAL 533 Cb -0.25 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1svm s VAL 533 CO 0.31 0.51 1.29 -2.65 0.00 0.00 0.00 175.10 174.56 1svm n PRO 534 N 4.43 1.56 -0.31 2.72 -0.02 -1.26 -4.74 135.00 137.37 1svm n PRO 534 Ca -0.20 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 1svm n PRO 534 Cb 0.51 -2.49 0.27 0.00 -0.02 0.00 0.00 33.50 31.77 1svm n PRO 534 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1svm h LYS 535 N 1.29 0.92 -0.81 -0.52 2.10 -1.99 0.78 116.57 118.34 1svm h LYS 535 Ca -0.50 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.08 1svm h LYS 535 Cb 1.31 -0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 32.40 1svm h LYS 535 CO 0.56 0.61 0.45 1.79 -2.00 0.00 0.00 179.45 180.86 1svm h THR 536 N 0.95 1.24 0.00 0.07 1.35 -2.00 -1.79 112.91 112.73 1svm h THR 536 Ca 0.43 -0.59 -0.19 0.00 -0.55 0.00 0.00 66.41 65.51 1svm h THR 536 Cb 0.39 0.15 0.02 0.00 -1.73 0.00 0.00 68.15 66.97 1svm h THR 536 CO -0.19 0.27 -0.74 0.25 -0.25 0.00 0.00 175.52 174.86 1svm h LEU 537 N 1.13 0.64 -1.52 3.87 5.85 -1.67 -3.26 115.31 120.36 1svm h LEU 537 Ca 0.29 -0.76 0.10 0.00 0.84 0.00 0.00 57.88 58.35 1svm h LEU 537 Cb 0.03 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1svm h LEU 537 CO -0.05 1.32 0.45 -0.61 -0.34 0.00 0.00 178.44 179.21 1svm h GLN 538 N 0.04 0.52 0.00 1.25 5.75 -0.73 0.50 115.11 122.43 1svm h GLN 538 Ca -0.09 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1svm h GLN 538 Cb 1.43 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1svm h GLN 538 CO 0.14 0.34 0.00 0.00 -2.65 0.00 0.00 178.83 176.67 1svm n ALA 539 N -2.49 1.24 0.89 3.38 0.00 -0.69 -0.96 120.51 121.88 1svm n ALA 539 Ca 0.11 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1svm n ALA 539 Cb 0.35 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.69 1svm n ALA 539 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1svm n ARG 540 N -2.09 0.08 -3.28 0.00 5.12 0.16 -4.78 116.66 111.87 1svm n ARG 540 Ca 0.00 0.01 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 1svm n ARG 540 Cb 0.09 -1.54 -0.08 0.00 -1.16 0.00 0.00 32.46 29.78 1svm n ARG 540 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1svm s PHE 541 N -3.05 3.15 0.00 -1.55 2.99 -0.14 -3.79 117.98 115.60 1svm s PHE 541 Ca 0.09 -0.51 0.27 0.00 0.00 0.00 0.00 56.93 56.79 1svm s PHE 541 Cb 0.16 -3.12 0.95 0.00 0.00 0.00 0.00 43.02 41.01 1svm s PHE 541 CO 0.73 -0.81 1.83 -0.24 -0.00 0.00 0.00 175.22 176.73 1svm h VAL 542 N 5.77 0.26 -2.72 -0.44 3.04 -1.32 -3.44 116.25 117.39 1svm h VAL 542 Ca -0.27 -0.92 -0.12 0.00 -1.01 0.00 0.00 66.70 64.38 1svm h VAL 542 Cb 1.11 1.74 -0.24 0.00 -2.01 0.00 0.00 31.29 31.89 1svm h VAL 542 CO 0.86 0.11 -0.23 -0.75 -1.01 0.00 0.00 177.57 176.54 1svm s LYS 543 N -3.54 0.48 -0.12 4.17 2.20 -1.23 -5.06 119.74 116.64 1svm s LYS 543 Ca 0.02 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1svm s LYS 543 Cb 0.09 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1svm s LYS 543 CO 0.61 -0.07 -0.20 -1.14 -0.36 0.00 0.00 175.35 174.20 1svm s GLN 544 N 0.32 2.69 -0.17 4.03 0.74 -1.26 -0.26 119.66 125.75 1svm s GLN 544 Ca -0.01 -0.74 -0.03 0.00 0.05 0.00 0.00 55.36 54.64 1svm s GLN 544 Cb -0.03 -2.18 -0.02 0.00 1.10 0.00 0.00 33.01 31.88 1svm s GLN 544 CO -0.01 0.00 -0.07 0.42 -0.55 0.00 0.00 175.29 175.09 1svm s ILE 545 N 0.79 3.48 -0.32 -2.34 1.01 0.48 -4.96 121.20 119.34 1svm s ILE 545 Ca -0.09 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 1svm s ILE 545 Cb -0.16 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1svm s ILE 545 CO 0.00 0.48 0.24 -1.81 0.00 0.00 0.00 174.94 173.85 1svm s ASP 546 N 0.70 6.06 0.17 3.58 1.01 -1.26 -1.09 116.67 125.83 1svm s ASP 546 Ca -0.03 -0.28 -0.17 0.00 0.71 0.00 0.00 52.55 52.77 1svm s ASP 546 Cb -0.15 -2.14 -0.07 0.00 1.01 0.00 0.00 42.92 41.57 1svm s ASP 546 CO 0.02 -0.19 0.63 -0.36 0.21 0.00 0.00 175.17 175.48 1svm s PHE 547 N 1.76 3.66 -0.05 4.23 0.40 0.72 -4.98 117.98 123.72 1svm s PHE 547 Ca 0.07 1.23 0.01 0.00 -0.60 0.00 0.00 56.93 57.64 1svm s PHE 547 Cb -0.17 -2.49 0.02 0.00 0.51 0.00 0.00 43.02 40.89 1svm s PHE 547 CO 0.11 0.41 -0.06 1.03 0.70 0.00 0.00 175.22 177.41 1svm s ARG 548 N -1.84 1.02 0.35 0.44 0.52 -1.26 -4.32 118.95 113.86 1svm s ARG 548 Ca 0.39 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.13 1svm s ARG 548 Cb -0.16 -0.96 -0.11 0.00 0.52 0.00 0.00 34.95 34.25 1svm s ARG 548 CO 0.20 -0.04 1.39 -2.14 0.02 0.00 0.00 175.30 174.72 1svm s PRO 549 N 0.81 4.25 -0.15 3.54 0.02 -1.26 -4.89 135.00 137.31 1svm s PRO 549 Ca -0.12 2.37 -0.00 0.00 0.02 0.00 0.00 61.00 63.26 1svm s PRO 549 Cb -0.15 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.38 1svm s PRO 549 CO 0.01 -0.34 -0.07 0.15 -0.33 0.00 0.00 177.00 176.41 1svm s LYS 550 N -1.83 1.60 0.30 5.54 1.02 -1.26 -5.03 119.74 120.08 1svm s LYS 550 Ca 0.51 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.10 1svm s LYS 550 Cb -0.43 -1.90 0.73 0.00 -0.52 0.00 0.00 37.83 35.71 1svm s LYS 550 CO 0.57 -0.35 1.75 -0.44 -0.92 0.00 0.00 175.35 175.95 1svm h ASP 551 N 8.12 0.64 0.37 2.83 3.32 -2.00 -0.62 116.42 129.08 1svm h ASP 551 Ca -0.28 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 1svm h ASP 551 Cb 1.12 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1svm h ASP 551 CO 0.42 0.19 -0.40 0.10 -1.72 0.00 0.00 179.24 177.83 1svm h TYR 552 N 0.64 0.04 -0.50 4.55 -0.00 -1.88 0.11 116.97 119.93 1svm h TYR 552 Ca 0.57 -0.01 -0.11 0.00 0.00 0.00 0.00 58.73 59.18 1svm h TYR 552 Cb 0.95 -0.01 -0.02 0.00 0.00 0.00 0.00 36.73 37.65 1svm h TYR 552 CO -0.04 0.43 -0.13 -0.07 -0.00 0.00 0.00 178.16 178.35 1svm h LEU 553 N 0.03 0.95 -0.17 0.10 3.38 -1.34 -0.14 115.31 118.12 1svm h LEU 553 Ca 0.00 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1svm h LEU 553 Cb 0.72 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1svm h LEU 553 CO 0.05 1.08 -0.22 0.50 0.09 0.00 0.00 178.44 179.95 1svm h LYS 554 N 0.84 0.45 -0.33 1.13 3.64 -1.07 -2.54 116.57 118.69 1svm h LYS 554 Ca 0.13 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1svm h LYS 554 Cb 0.68 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1svm h LYS 554 CO 0.05 0.83 -0.02 0.45 -2.27 0.00 0.00 179.45 178.50 1svm h HIS 555 N 0.09 0.53 -0.19 1.91 3.86 -0.66 -2.49 115.15 118.19 1svm h HIS 555 Ca 0.02 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1svm h HIS 555 Cb 0.77 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1svm h HIS 555 CO 0.09 0.54 0.03 0.00 0.86 0.00 0.00 177.93 179.44 1svm h LEU 557 N 0.12 0.97 -2.47 0.00 3.38 -1.21 0.10 115.31 116.20 1svm h LEU 557 Ca 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1svm h LEU 557 Cb 0.31 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1svm h LEU 557 CO 0.00 0.71 -0.02 -0.33 0.09 0.00 0.00 178.44 178.88 1svm h GLU 558 N 1.14 0.00 -0.31 1.13 5.08 -1.36 0.33 114.58 120.59 1svm h GLU 558 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1svm h GLU 558 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1svm h GLU 558 CO -0.07 0.02 0.00 0.54 -1.00 0.00 0.00 179.01 178.51 1svm n ARG 559 N -3.51 2.55 -2.74 2.33 1.74 -0.23 -4.51 116.66 112.29 1svm n ARG 559 Ca -0.03 -1.95 -0.10 0.00 -0.77 0.00 0.00 57.85 55.00 1svm n ARG 559 Cb 0.12 -1.27 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1svm n ARG 559 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1svm n SER 560 N 0.57 0.97 -0.19 0.55 7.64 0.19 -4.57 113.62 118.78 1svm n SER 560 Ca 0.11 -2.75 0.18 0.00 1.01 0.00 0.00 58.87 57.42 1svm n SER 560 Cb 0.41 -0.35 0.53 0.00 -1.01 0.00 0.00 64.21 63.79 1svm n SER 560 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1svm h GLU 561 N 2.91 0.35 -0.32 1.43 5.08 -1.56 -1.93 114.58 120.54 1svm h GLU 561 Ca -0.09 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1svm h GLU 561 Cb 1.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1svm h GLU 561 CO 0.44 0.23 0.33 0.27 -1.00 0.00 0.00 179.01 179.28 1svm h PHE 562 N 0.36 0.00 0.00 4.33 -5.15 -1.94 0.57 116.94 115.11 1svm h PHE 562 Ca 0.41 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.14 1svm h PHE 562 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.23 1svm h PHE 562 CO -0.00 0.00 -0.21 -0.07 -2.00 0.00 0.00 178.31 176.03 1svm h LEU 563 N 0.00 0.00 0.02 2.10 3.38 -1.71 -0.34 115.31 118.77 1svm h LEU 563 Ca 0.15 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.74 1svm h LEU 563 Cb 0.80 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 1svm h LEU 563 CO -0.00 0.21 -2.40 0.18 0.09 0.00 0.00 178.44 176.51 1svm n LEU 564 N -4.26 2.70 0.10 1.67 4.77 0.01 -1.41 117.00 120.58 1svm n LEU 564 Ca -0.02 -0.08 0.01 0.00 -0.03 0.00 0.00 56.01 55.89 1svm n LEU 564 Cb 0.27 -0.82 0.34 0.00 -2.33 0.00 0.00 43.42 40.88 1svm n LEU 564 CO 0.37 0.89 0.83 -0.33 -1.33 0.00 0.00 177.39 177.82 1svm h GLU 565 N 0.01 0.26 -0.66 3.23 5.08 -1.02 -2.30 114.58 119.18 1svm h GLU 565 Ca -0.56 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1svm h GLU 565 Cb 1.94 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1svm h GLU 565 CO -0.06 0.45 0.00 1.63 -1.00 0.00 0.00 179.01 180.03 1svm n LYS 566 N -4.21 3.11 -4.06 2.33 5.02 -0.14 -4.97 118.16 115.24 1svm n LYS 566 Ca -0.01 -2.69 -0.29 0.00 -2.02 0.00 0.00 58.31 53.30 1svm n LYS 566 Cb 0.32 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1svm n LYS 566 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1svm n ARG 567 N 1.30 -2.14 -0.08 1.97 1.74 -0.87 -4.91 116.66 113.69 1svm n ARG 567 Ca 0.24 0.28 -0.19 0.00 -0.77 0.00 0.00 57.85 57.41 1svm n ARG 567 Cb 0.71 -4.03 -0.12 0.00 -1.02 0.00 0.00 32.46 27.99 1svm n ARG 567 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1svm h ILE 568 N -1.89 1.28 0.00 0.55 2.04 -1.48 -3.31 117.51 114.70 1svm h ILE 568 Ca -0.65 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 62.94 1svm h ILE 568 Cb 1.38 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1svm h ILE 568 CO 0.63 0.48 0.00 2.30 0.00 0.00 0.00 178.15 181.56 1svm n ILE 569 N -4.44 1.13 0.09 -0.67 -5.35 -1.18 -1.48 119.36 107.45 1svm n ILE 569 Ca -0.22 0.34 0.10 0.00 -0.27 0.00 0.00 62.75 62.69 1svm n ILE 569 Cb 0.63 -1.22 0.20 0.00 -1.74 0.00 0.00 39.64 37.51 1svm n ILE 569 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1svm n GLN 570 N -1.80 2.38 -3.27 6.28 3.00 -1.26 -4.74 117.38 117.97 1svm n GLN 570 Ca 0.02 -2.16 -0.38 0.00 -0.01 0.00 0.00 57.00 54.47 1svm n GLN 570 Cb 0.14 -1.43 -0.06 0.00 0.00 0.00 0.00 30.24 28.90 1svm n GLN 570 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1svm s SER 571 N -1.21 7.05 0.51 1.08 0.15 -0.55 -2.47 113.70 118.26 1svm s SER 571 Ca 0.33 1.26 0.29 0.00 0.70 0.00 0.00 55.95 58.53 1svm s SER 571 Cb 0.19 -2.36 1.33 0.00 -1.71 0.00 0.00 66.02 63.48 1svm s SER 571 CO 0.26 0.25 2.00 1.23 1.20 0.00 0.00 173.24 178.17 1svm h GLY 572 N 4.39 0.00 2.00 9.45 0.00 -1.84 -2.02 103.07 115.06 1svm h GLY 572 Ca -0.49 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 1svm h GLY 572 CO 0.64 0.00 -0.60 -2.22 0.00 0.00 0.00 176.54 174.35 1svm h ILE 573 N 0.00 1.43 -0.32 2.60 2.04 -1.91 -0.28 117.51 121.07 1svm h ILE 573 Ca -0.00 -2.07 -0.14 0.00 1.00 0.00 0.00 64.86 63.64 1svm h ILE 573 Cb 0.48 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1svm h ILE 573 CO 0.02 0.59 -0.38 0.00 0.00 0.00 0.00 178.15 178.38 1svm h ALA 574 N 1.40 0.73 -0.15 1.87 0.00 -1.61 -0.67 119.26 120.82 1svm h ALA 574 Ca -0.01 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1svm h ALA 574 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1svm h ALA 574 CO 0.08 0.66 -0.60 -0.07 0.00 0.00 0.00 179.25 179.32 1svm h LEU 575 N 0.62 0.58 -0.63 0.00 3.38 -1.33 -1.52 115.31 116.40 1svm h LEU 575 Ca 0.05 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1svm h LEU 575 Cb 0.93 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1svm h LEU 575 CO 0.08 1.04 -0.19 0.25 0.09 0.00 0.00 178.44 179.72 1svm h LEU 576 N 0.38 0.89 -0.95 1.67 5.85 -0.84 -0.62 115.31 121.69 1svm h LEU 576 Ca -0.00 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1svm h LEU 576 Cb 1.15 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1svm h LEU 576 CO 0.11 1.06 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.19 1svm h LEU 577 N 0.77 0.73 -0.25 2.25 3.38 -1.02 -1.42 115.31 119.75 1svm h LEU 577 Ca 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1svm h LEU 577 Cb 0.72 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1svm h LEU 577 CO 0.06 0.80 0.11 -0.03 0.09 0.00 0.00 178.44 179.47 1svm h MET 578 N 0.71 0.36 -0.93 1.13 4.05 -0.69 -1.32 114.93 118.25 1svm h MET 578 Ca 0.14 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1svm h MET 578 Cb 0.44 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 1svm h MET 578 CO 0.02 0.38 0.55 -0.07 0.23 0.00 0.00 176.91 178.02 1svm h LEU 579 N 0.26 1.12 -0.71 3.39 3.38 -0.83 0.10 115.31 122.02 1svm h LEU 579 Ca 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1svm h LEU 579 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1svm h LEU 579 CO -0.01 0.87 0.24 0.40 0.09 0.00 0.00 178.44 180.02 1svm h ILE 580 N 1.28 1.26 -0.12 1.22 2.04 -1.02 0.65 117.51 122.82 1svm h ILE 580 Ca 0.33 -0.86 -0.23 0.00 1.00 0.00 0.00 64.86 65.10 1svm h ILE 580 Cb -0.04 0.48 0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1svm h ILE 580 CO -0.06 0.34 -0.82 -0.25 0.00 0.00 0.00 178.15 177.36 1svm h TRP 581 N 1.03 1.02 0.08 1.37 2.91 -0.79 -3.39 115.95 118.17 1svm h TRP 581 Ca 0.23 -0.47 -0.37 0.00 1.13 0.00 0.00 58.89 59.41 1svm h TRP 581 Cb 0.28 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.75 1svm h TRP 581 CO 0.02 1.29 -2.17 0.66 -1.03 0.00 0.00 178.44 177.22 1svm n TYR 582 N -3.91 0.78 -2.86 2.65 4.02 -0.02 -4.99 117.16 112.83 1svm n TYR 582 Ca -0.08 0.17 -0.40 0.00 -0.01 0.00 0.00 57.90 57.58 1svm n TYR 582 Cb 0.77 -1.10 -0.06 0.00 -0.02 0.00 0.00 39.34 38.93 1svm n TYR 582 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1svm s ARG 583 N -2.54 4.70 0.30 -0.72 1.81 0.21 -5.04 118.95 117.68 1svm s ARG 583 Ca -0.27 1.32 -0.29 0.00 -1.72 0.00 0.00 55.73 54.77 1svm s ARG 583 Cb 0.08 -3.28 -0.10 0.00 -0.45 0.00 0.00 34.95 31.19 1svm s ARG 583 CO 0.70 0.51 1.26 -1.25 -0.68 0.00 0.00 175.30 175.84 1svm s PRO 584 N -1.01 4.42 0.39 3.54 0.04 -1.26 -4.80 135.00 136.32 1svm s PRO 584 Ca 0.39 2.10 0.21 0.00 0.04 0.00 0.00 61.00 63.75 1svm s PRO 584 Cb -0.24 -3.11 1.21 0.00 0.04 0.00 0.00 34.50 32.40 1svm s PRO 584 CO 0.29 -0.11 1.68 0.28 0.04 0.00 0.00 177.00 179.19 1svm h VAL 585 N 3.14 0.31 -0.19 -0.36 2.07 -1.96 -0.76 116.25 118.49 1svm h VAL 585 Ca -0.48 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1svm h VAL 585 Cb 1.22 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1svm h VAL 585 CO 0.67 0.05 0.19 0.00 0.02 0.00 0.00 177.57 178.50 1svm h ALA 586 N 1.68 1.91 0.00 1.67 0.00 -1.99 -2.00 119.26 120.53 1svm h ALA 586 Ca 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1svm h ALA 586 Cb 1.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1svm h ALA 586 CO -0.44 -0.29 0.00 0.93 0.00 0.00 0.00 179.25 179.46 1svm h GLU 587 N 0.00 0.00 -6.83 0.00 5.08 -1.50 -3.45 114.58 107.88 1svm h GLU 587 Ca 0.09 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.96 1svm h GLU 587 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1svm h GLU 587 CO -0.00 0.00 0.13 -0.06 -1.00 0.00 0.00 179.01 178.08 1svm s PHE 588 N -3.32 3.43 0.24 4.33 0.40 -0.75 -5.00 117.98 117.30 1svm s PHE 588 Ca 0.06 1.15 -0.31 0.00 -0.60 0.00 0.00 56.93 57.23 1svm s PHE 588 Cb 0.08 -2.51 -0.14 0.00 0.51 0.00 0.00 43.02 40.97 1svm s PHE 588 CO 0.58 -0.04 1.37 0.00 0.70 0.00 0.00 175.22 177.83 1svm n ALA 589 N -0.93 0.94 -0.34 5.36 0.00 -1.26 -4.77 120.51 119.51 1svm n ALA 589 Ca 0.03 0.41 0.17 0.00 0.00 0.00 0.00 53.44 54.05 1svm n ALA 589 Cb 0.54 -2.25 0.37 0.00 0.00 0.00 0.00 19.45 18.11 1svm n ALA 589 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1svm h GLN 590 N 4.00 0.57 0.00 0.00 4.15 -1.93 -1.40 115.11 120.50 1svm h GLN 590 Ca -0.45 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 1svm h GLN 590 Cb 1.28 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 1svm h GLN 590 CO 0.74 0.38 -0.04 0.66 -1.93 0.00 0.00 178.83 178.64 1svm h SER 591 N 0.59 0.00 -0.10 -0.69 4.64 -2.02 -2.90 113.55 113.07 1svm h SER 591 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1svm h SER 591 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1svm h SER 591 CO -0.47 0.04 0.00 2.30 -0.87 0.00 0.00 176.83 177.83 1svm n ILE 592 N -3.71 0.38 -0.36 0.95 -6.64 -0.56 -4.68 119.36 104.74 1svm n ILE 592 Ca -0.03 -0.69 0.02 0.00 -1.77 0.00 0.00 62.75 60.29 1svm n ILE 592 Cb 0.14 0.91 0.17 0.00 -1.44 0.00 0.00 39.64 39.41 1svm n ILE 592 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 1svm h GLN 593 N 1.45 1.11 -0.74 6.28 4.20 -1.24 -1.32 115.11 124.85 1svm h GLN 593 Ca 0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1svm h GLN 593 Cb 0.45 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1svm h GLN 593 CO 0.00 0.73 0.45 0.77 -0.67 0.00 0.00 178.83 180.11 1svm h SER 594 N 1.14 0.88 -0.22 1.46 0.02 -1.83 -0.49 113.55 114.50 1svm h SER 594 Ca 0.42 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1svm h SER 594 Cb 0.17 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1svm h SER 594 CO -0.18 0.68 -0.21 -0.09 -1.14 0.00 0.00 176.83 175.90 1svm h ARG 595 N 1.01 0.67 -0.20 3.45 2.43 -1.71 -1.77 114.38 118.27 1svm h ARG 595 Ca 0.27 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1svm h ARG 595 Cb -0.05 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1svm h ARG 595 CO -0.05 0.83 0.04 0.82 -1.51 0.00 0.00 179.97 180.10 1svm h ILE 596 N 0.59 1.21 -0.70 1.20 1.08 -0.70 -2.16 117.51 118.03 1svm h ILE 596 Ca 0.09 -0.70 0.12 0.00 -0.39 0.00 0.00 64.86 63.98 1svm h ILE 596 Cb 0.68 1.30 -0.08 0.00 -3.07 0.00 0.00 36.82 35.64 1svm h ILE 596 CO 0.05 0.22 0.29 0.58 -0.69 0.00 0.00 178.15 178.60 1svm h VAL 597 N 0.13 0.74 -0.75 1.67 2.07 -0.89 0.27 116.25 119.47 1svm h VAL 597 Ca 0.06 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.52 1svm h VAL 597 Cb 0.29 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 1svm h VAL 597 CO 0.00 0.09 0.38 -0.08 0.02 0.00 0.00 177.57 177.98 1svm h GLU 598 N 0.47 0.60 -0.03 1.57 4.81 -0.92 -1.57 114.58 119.52 1svm h GLU 598 Ca 0.37 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.36 1svm h GLU 598 Cb 0.49 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1svm h GLU 598 CO -0.34 0.40 -0.85 -1.49 -0.73 0.00 0.00 179.01 175.99 1svm h TRP 599 N 0.62 0.54 -0.85 0.92 4.06 -0.12 -2.65 115.95 118.47 1svm h TRP 599 Ca 0.38 -0.27 0.02 0.00 2.06 0.00 0.00 58.89 61.07 1svm h TRP 599 Cb 0.44 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.48 1svm h TRP 599 CO -0.10 1.07 0.56 0.87 -3.56 0.00 0.00 178.44 177.28 1svm h LYS 600 N 0.23 1.10 -0.23 0.49 1.57 0.12 -0.39 116.57 119.45 1svm h LYS 600 Ca -0.06 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 1svm h LYS 600 Cb 1.47 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1svm h LYS 600 CO 0.14 0.72 -0.37 0.93 -0.57 0.00 0.00 179.45 180.31 1svm h GLU 601 N 1.13 0.66 -0.82 3.15 5.08 -1.29 -1.03 114.58 121.46 1svm h GLU 601 Ca 0.32 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1svm h GLU 601 Cb -0.09 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1svm h GLU 601 CO -0.08 1.01 0.53 -0.09 -1.00 0.00 0.00 179.01 179.39 1svm h ARG 602 N 0.37 1.08 -0.24 2.33 1.12 -1.07 0.74 114.38 118.71 1svm h ARG 602 Ca 0.02 -0.07 -0.13 0.00 -1.11 0.00 0.00 59.98 58.69 1svm h ARG 602 Cb 0.96 -0.24 -0.00 0.00 -0.01 0.00 0.00 29.97 30.68 1svm h ARG 602 CO 0.08 0.73 -0.36 -0.07 -3.11 0.00 0.00 179.97 177.24 1svm h LEU 603 N 1.11 0.72 -0.46 3.80 4.07 -0.97 -2.46 115.31 121.13 1svm h LEU 603 Ca 0.30 -0.52 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 1svm h LEU 603 Cb -0.11 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.40 1svm h LEU 603 CO -0.06 1.10 0.18 0.44 -1.08 0.00 0.00 178.44 179.01 1svm h ASP 604 N 0.37 0.63 -0.24 -0.43 3.32 -0.75 0.36 116.42 119.69 1svm h ASP 604 Ca 0.02 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1svm h ASP 604 Cb 0.94 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1svm h ASP 604 CO 0.08 0.64 0.16 0.50 -1.72 0.00 0.00 179.24 178.90 1svm h LYS 605 N 0.60 0.32 0.00 3.56 3.64 -0.85 -3.03 116.57 120.81 1svm h LYS 605 Ca 0.15 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1svm h LYS 605 Cb 0.20 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1svm h LYS 605 CO -0.01 0.21 -1.81 0.39 -2.27 0.00 0.00 179.45 175.96 1svm n GLU 606 N -4.50 0.65 -4.00 1.90 1.02 -0.93 -4.92 120.64 109.86 1svm n GLU 606 Ca 0.01 -0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.91 1svm n GLU 606 Cb 0.07 -1.63 -0.17 0.00 -0.02 0.00 0.00 31.44 29.70 1svm n GLU 606 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1svm s PHE 607 N -3.16 0.73 0.49 -0.32 0.40 0.12 -5.09 117.98 111.15 1svm s PHE 607 Ca -0.06 -0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1svm s PHE 607 Cb 0.11 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.89 1svm s PHE 607 CO 0.85 -0.25 0.78 -1.54 0.70 0.00 0.00 175.22 175.76 1svm s SER 608 N 1.33 6.08 0.24 1.36 1.04 -1.26 -4.39 113.70 118.10 1svm s SER 608 Ca -0.05 0.78 -0.05 0.00 0.48 0.00 0.00 55.95 57.11 1svm s SER 608 Cb -0.13 -2.05 0.35 0.00 0.10 0.00 0.00 66.02 64.29 1svm s SER 608 CO -0.02 -0.67 1.84 -0.07 0.98 0.00 0.00 173.24 175.30 1svm h LEU 609 N 0.20 0.80 -0.37 2.42 3.38 -1.98 -1.75 115.31 118.01 1svm h LEU 609 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1svm h LEU 609 Cb 1.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1svm h LEU 609 CO 0.61 0.50 0.24 0.28 0.09 0.00 0.00 178.44 180.15 1svm h SER 610 N 0.93 0.44 -0.11 -0.43 0.02 -1.97 0.39 113.55 112.81 1svm h SER 610 Ca 0.38 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1svm h SER 610 Cb 0.22 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1svm h SER 610 CO -0.19 0.34 0.06 0.58 -1.14 0.00 0.00 176.83 176.48 1svm h VAL 611 N 0.49 1.01 -0.27 2.27 2.07 -1.79 0.12 116.25 120.15 1svm h VAL 611 Ca 0.13 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1svm h VAL 611 Cb -0.03 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1svm h VAL 611 CO -0.03 0.02 0.12 0.22 0.02 0.00 0.00 177.57 177.93 1svm h TYR 612 N 0.13 0.39 -0.04 1.57 3.20 -1.10 -2.42 116.97 118.70 1svm h TYR 612 Ca 0.04 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1svm h TYR 612 Cb -0.01 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1svm h TYR 612 CO -0.08 0.38 0.00 1.96 -1.64 0.00 0.00 178.16 178.78 1svm h GLN 613 N 0.30 0.06 -0.50 1.82 4.20 0.04 -0.87 115.11 120.15 1svm h GLN 613 Ca 0.09 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 1svm h GLN 613 Cb 0.13 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1svm h GLN 613 CO -0.01 0.06 -0.06 -0.22 -0.67 0.00 0.00 178.83 177.93 1svm h LYS 614 N 0.06 0.93 -0.28 1.46 1.63 -0.31 -1.24 116.57 118.82 1svm h LYS 614 Ca 0.02 -0.33 0.04 0.00 -0.85 0.00 0.00 60.65 59.53 1svm h LYS 614 Cb 0.04 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1svm h LYS 614 CO -0.00 0.98 0.05 0.52 -3.45 0.00 0.00 179.45 177.55 1svm h MET 615 N 0.79 0.15 -0.34 1.90 2.86 -0.71 0.92 114.93 120.50 1svm h MET 615 Ca 0.14 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1svm h MET 615 Cb 0.60 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1svm h MET 615 CO 0.04 0.10 0.04 0.87 1.06 0.00 0.00 176.91 179.02 1svm h LYS 616 N 0.15 0.50 -0.02 1.72 1.57 -1.27 -1.94 116.57 117.29 1svm h LYS 616 Ca 0.13 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1svm h LYS 616 Cb 0.14 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1svm h LYS 616 CO -0.17 0.50 0.01 0.35 -0.57 0.00 0.00 179.45 179.56 1svm h PHE 617 N 0.49 0.02 -0.92 -1.35 3.57 -0.05 -1.75 116.94 116.96 1svm h PHE 617 Ca 0.11 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1svm h PHE 617 Cb 0.25 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1svm h PHE 617 CO 0.01 0.15 0.59 -0.91 -2.23 0.00 0.00 178.31 175.93 1svm h ASN 618 N -0.11 0.88 -0.08 0.41 2.35 -0.43 -1.01 115.58 117.60 1svm h ASN 618 Ca 0.01 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1svm h ASN 618 Cb 0.14 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1svm h ASN 618 CO -0.00 0.54 0.04 0.58 -1.65 0.00 0.00 177.43 176.94 1svm h VAL 619 N 0.99 1.09 -0.33 2.81 2.07 -1.06 0.34 116.25 122.15 1svm h VAL 619 Ca 0.41 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1svm h VAL 619 Cb 0.31 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1svm h VAL 619 CO -0.17 0.08 0.22 0.00 0.02 0.00 0.00 177.57 177.72 1svm h ALA 620 N 0.94 1.93 0.00 1.67 0.00 -0.43 0.97 119.26 124.34 1svm h ALA 620 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1svm h ALA 620 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1svm h ALA 620 CO -0.00 0.02 -0.49 -1.33 0.00 0.00 0.00 179.25 177.44 1svm n MET 621 N -4.49 0.27 -3.30 0.00 2.00 -0.47 -4.85 117.12 106.28 1svm n MET 621 Ca 0.03 0.10 -0.17 0.00 0.00 0.00 0.00 57.70 57.67 1svm n MET 621 Cb 0.18 -1.69 0.07 0.00 0.00 0.00 0.00 33.22 31.78 1svm n MET 621 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1svm n GLY 622 N 1.34 -0.27 0.05 3.03 0.00 0.11 -4.94 105.19 104.51 1svm n GLY 622 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1svm n GLY 622 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1svm n ILE 623 N -4.06 0.00 0.00 -0.61 -5.35 -0.78 -3.63 119.36 104.93 1svm n ILE 623 Ca -0.14 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1svm n ILE 623 Cb 0.61 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 1svm n ILE 623 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1svm n GLY 624 N 0.58 2.45 0.34 3.28 0.00 -1.26 -4.87 105.19 105.71 1svm n GLY 624 Ca 0.01 -0.89 0.24 0.00 0.00 0.00 0.00 46.02 45.38 1svm n GLY 624 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1svm h VAL 625 N 0.00 0.32 -0.67 1.61 -1.51 -1.83 -1.79 116.25 112.38 1svm h VAL 625 Ca 0.00 -0.12 -0.33 0.00 -1.23 0.00 0.00 66.70 65.02 1svm h VAL 625 Cb 0.00 -0.05 -0.20 0.00 -2.13 0.00 0.00 31.29 28.91 1svm h VAL 625 CO 0.00 0.06 0.42 0.18 -1.23 0.00 0.00 177.57 177.00 1svm n LEU 626 N -5.01 5.50 -0.60 4.19 4.77 -1.26 -4.35 117.00 120.23 1svm n LEU 626 Ca 0.31 -2.90 0.13 0.00 -0.03 0.00 0.00 56.01 53.53 1svm n LEU 626 Cb 0.97 -0.73 0.41 0.00 -2.33 0.00 0.00 43.42 41.75 1svm n LEU 626 CO 0.11 0.85 0.81 0.47 -1.33 0.00 0.00 177.39 178.30