#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vkt s MET 296 N 0.00 1.78 0.35 -1.46 1.00 -1.26 -5.11 119.30 114.59 2vkt s MET 296 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 55.69 54.27 2vkt s MET 296 Cb 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 34.83 32.70 2vkt s MET 296 CO 0.00 0.50 1.47 0.15 0.00 0.00 0.00 175.02 177.14 2vkt s LYS 297 N -1.55 4.16 -0.09 2.03 1.02 -1.26 -4.60 119.74 119.45 2vkt s LYS 297 Ca 0.13 2.50 -0.20 0.00 0.02 0.00 0.00 55.97 58.42 2vkt s LYS 297 Cb -0.10 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2vkt s LYS 297 CO 0.04 -0.48 0.57 0.42 -0.92 0.00 0.00 175.35 174.98 2vkt s ILE 298 N -0.93 5.11 -0.18 2.17 1.01 -1.26 -0.98 121.20 126.13 2vkt s ILE 298 Ca 0.54 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 62.33 2vkt s ILE 298 Cb -0.45 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 2vkt s ILE 298 CO 0.59 0.31 -0.08 0.00 0.00 0.00 0.00 174.94 175.75 2vkt s SER 300 N 0.98 5.80 -0.12 0.00 0.01 -1.26 -1.15 113.70 117.96 2vkt s SER 300 Ca -0.01 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2vkt s SER 300 Cb -0.15 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 2vkt s SER 300 CO -0.00 -0.10 -0.13 -0.63 0.41 0.00 0.00 173.24 172.78 2vkt s ILE 301 N 1.71 3.05 -0.21 1.44 -1.09 -0.55 -0.49 121.20 125.07 2vkt s ILE 301 Ca 0.06 -0.67 -0.14 0.00 -2.23 0.00 0.00 60.65 57.67 2vkt s ILE 301 Cb -0.16 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 2vkt s ILE 301 CO 0.09 0.53 0.34 0.00 -1.23 0.00 0.00 174.94 174.67 2vkt s ALA 302 N 0.19 3.57 -0.35 9.38 0.00 -0.75 -0.27 121.76 133.54 2vkt s ALA 302 Ca -0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 2vkt s ALA 302 Cb -0.15 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.44 2vkt s ALA 302 CO 0.05 -0.24 0.18 -1.17 0.00 0.00 0.00 175.76 174.58 2vkt s LEU 303 N 1.17 4.44 -0.66 0.00 0.20 0.36 -1.05 118.68 123.14 2vkt s LEU 303 Ca 0.16 -0.82 -0.15 0.00 0.69 0.00 0.00 54.13 54.01 2vkt s LEU 303 Cb -0.14 -2.00 0.17 0.00 -0.43 0.00 0.00 46.19 43.78 2vkt s LEU 303 CO 0.07 -0.31 0.61 -0.69 -0.29 0.00 0.00 176.35 175.74 2vkt s VAL 304 N 1.57 5.36 0.00 1.68 1.01 -0.45 -1.09 120.40 128.48 2vkt s VAL 304 Ca 0.03 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.11 2vkt s VAL 304 Cb -0.18 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2vkt s VAL 304 CO 0.06 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.84 2vkt n GLY 305 N 4.72 5.15 0.04 4.51 0.00 -0.45 -4.37 105.19 114.78 2vkt n GLY 305 Ca -0.03 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.36 2vkt n GLY 305 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vkt n LYS 306 N 0.00 0.40 0.00 1.61 4.81 -1.26 -0.49 118.16 123.23 2vkt n LYS 306 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2vkt n LYS 306 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.45 2vkt n LYS 306 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2vkt n TYR 307 N -2.10 0.00 -0.78 5.64 4.01 -1.26 -4.73 117.16 117.94 2vkt n TYR 307 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.59 2vkt n TYR 307 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.52 2vkt n TYR 307 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2vkt n LYS 309 N 0.00 0.00 -1.57 -0.72 2.85 -1.26 -3.65 118.16 113.81 2vkt n LYS 309 Ca 0.00 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 56.81 2vkt n LYS 309 Cb 0.00 -0.90 -0.04 0.00 -0.65 0.00 0.00 35.03 33.44 2vkt n LYS 309 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2vkt n LEU 310 N 2.90 3.03 -4.61 -5.58 7.94 -1.26 -5.00 117.00 114.42 2vkt n LEU 310 Ca -0.01 0.33 -0.25 0.00 -1.11 0.00 0.00 56.01 54.97 2vkt n LEU 310 Cb 0.30 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.70 2vkt n LEU 310 CO 0.17 -0.63 -0.37 -0.60 -1.11 0.00 0.00 177.39 174.86 2vkt s ARG 311 N 6.12 2.19 0.55 1.96 3.52 -1.26 -5.04 118.95 126.99 2vkt s ARG 311 Ca 1.02 -1.35 0.28 0.00 -0.13 0.00 0.00 55.73 55.55 2vkt s ARG 311 Cb -0.49 -2.16 1.46 0.00 -1.56 0.00 0.00 34.95 32.20 2vkt s ARG 311 CO 0.40 0.40 1.96 -0.44 -0.81 0.00 0.00 175.30 176.81 2vkt h ASP 312 N 2.38 0.00 0.59 -2.12 3.32 -2.02 0.13 116.42 118.70 2vkt h ASP 312 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2vkt h ASP 312 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2vkt h ASP 312 CO 0.58 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 2vkt n TYR 314 N -1.34 0.54 -0.08 0.00 4.01 0.03 -4.65 117.16 115.68 2vkt n TYR 314 Ca 0.11 -0.27 -0.07 0.00 -0.16 0.00 0.00 57.90 57.51 2vkt n TYR 314 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2vkt n TYR 314 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2vkt h ALA 315 N 4.06 0.11 -0.68 -0.72 0.00 -1.59 -0.83 119.26 119.61 2vkt h ALA 315 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2vkt h ALA 315 Cb 0.69 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2vkt h ALA 315 CO 0.00 -0.52 0.14 0.77 0.00 0.00 0.00 179.25 179.63 2vkt h SER 316 N -0.08 1.06 -0.40 0.00 0.02 -1.85 -2.35 113.55 109.95 2vkt h SER 316 Ca 0.15 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2vkt h SER 316 Cb 0.32 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2vkt h SER 316 CO -0.36 1.04 0.17 0.58 -1.14 0.00 0.00 176.83 177.12 2vkt h VAL 317 N 1.04 0.92 0.12 2.27 2.07 -1.74 -0.40 116.25 120.54 2vkt h VAL 317 Ca 0.21 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2vkt h VAL 317 Cb 0.41 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2vkt h VAL 317 CO 0.01 0.06 -0.15 0.15 0.02 0.00 0.00 177.57 177.66 2vkt h PHE 318 N 0.35 -0.39 -0.62 1.57 3.57 -1.06 -1.79 116.94 118.57 2vkt h PHE 318 Ca 0.18 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.76 2vkt h PHE 318 Cb 0.13 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 2vkt h PHE 318 CO -0.13 -0.23 0.29 0.87 -2.23 0.00 0.00 178.31 176.89 2vkt h LYS 319 N -0.31 0.52 -0.24 1.11 1.57 -1.24 0.53 116.57 118.52 2vkt h LYS 319 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2vkt h LYS 319 Cb 0.31 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2vkt h LYS 319 CO -0.06 0.34 -0.12 0.00 -0.57 0.00 0.00 179.45 179.05 2vkt h ALA 320 N 1.37 1.37 -0.35 3.86 0.00 -0.92 -1.50 119.26 123.09 2vkt h ALA 320 Ca 0.29 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2vkt h ALA 320 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vkt h ALA 320 CO -0.23 0.43 -0.44 -0.07 0.00 0.00 0.00 179.25 178.94 2vkt h LEU 321 N 0.36 0.98 -0.34 0.00 3.38 -0.41 -3.12 115.31 116.15 2vkt h LEU 321 Ca 0.07 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2vkt h LEU 321 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2vkt h LEU 321 CO 0.02 1.27 0.17 -0.33 0.09 0.00 0.00 178.44 179.66 2vkt h GLU 322 N 0.72 0.49 -0.84 1.13 5.08 -0.54 -1.22 114.58 119.41 2vkt h GLU 322 Ca 0.05 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2vkt h GLU 322 Cb 1.04 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 2vkt h GLU 322 CO 0.10 0.44 0.49 0.45 -1.00 0.00 0.00 179.01 179.49 2vkt h HIS 323 N 0.42 0.90 -0.19 4.33 3.86 -1.35 0.37 115.15 123.49 2vkt h HIS 323 Ca 0.12 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 2vkt h HIS 323 Cb 0.11 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 2vkt h HIS 323 CO -0.02 0.39 -0.32 0.77 0.86 0.00 0.00 177.93 179.61 2vkt h SER 324 N 0.84 0.61 -0.22 2.45 0.02 -1.46 -0.86 113.55 114.92 2vkt h SER 324 Ca 0.39 -0.54 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2vkt h SER 324 Cb 0.31 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2vkt h SER 324 CO -0.23 1.03 0.13 0.00 -1.14 0.00 0.00 176.83 176.62 2vkt h ALA 325 N 0.60 0.28 -0.67 3.77 0.00 -0.95 -2.74 119.26 119.55 2vkt h ALA 325 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2vkt h ALA 325 Cb 0.91 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2vkt h ALA 325 CO 0.07 -0.22 0.21 -0.07 0.00 0.00 0.00 179.25 179.24 2vkt h LEU 326 N 0.27 0.98 -0.80 0.00 3.38 -0.94 0.84 115.31 119.05 2vkt h LEU 326 Ca 0.08 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.95 2vkt h LEU 326 Cb 0.01 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.43 2vkt h LEU 326 CO -0.02 0.93 0.43 0.00 0.09 0.00 0.00 178.44 179.87 2vkt h ALA 327 N 1.09 1.14 -0.60 1.53 0.00 -1.06 -1.46 119.26 119.90 2vkt h ALA 327 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2vkt h ALA 327 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2vkt h ALA 327 CO -0.01 0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.71 2vkt n ILE 328 N -4.80 0.79 -2.77 0.00 -5.35 -1.04 -4.97 119.36 101.22 2vkt n ILE 328 Ca 0.14 -0.84 -0.07 0.00 -0.27 0.00 0.00 62.75 61.71 2vkt n ILE 328 Cb 0.31 0.52 0.03 0.00 -1.74 0.00 0.00 39.64 38.75 2vkt n ILE 328 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2vkt n ASN 329 N 1.39 -3.13 -4.29 7.28 5.15 -0.55 -5.06 115.26 116.05 2vkt n ASN 329 Ca 0.21 -0.18 -0.25 0.00 -0.60 0.00 0.00 54.58 53.76 2vkt n ASN 329 Cb 0.55 -1.97 -0.13 0.00 -0.53 0.00 0.00 39.78 37.70 2vkt n ASN 329 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2vkt s HIS 330 N -3.11 1.89 -0.05 1.20 3.76 0.18 -4.35 115.29 114.81 2vkt s HIS 330 Ca 0.15 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.37 2vkt s HIS 330 Cb -0.07 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 2vkt s HIS 330 CO 0.24 0.18 0.98 0.21 -0.85 0.00 0.00 174.74 175.50 2vkt s LYS 331 N -1.64 4.49 -0.11 1.40 2.20 -0.15 -3.96 119.74 121.96 2vkt s LYS 331 Ca 0.08 1.38 -0.29 0.00 -0.36 0.00 0.00 55.97 56.78 2vkt s LYS 331 Cb -0.10 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2vkt s LYS 331 CO 0.03 -0.17 1.01 -1.17 -0.36 0.00 0.00 175.35 174.69 2vkt s LEU 332 N 1.47 4.24 -0.52 5.43 2.96 -1.26 -1.30 118.68 129.70 2vkt s LEU 332 Ca 0.50 1.51 -0.04 0.00 -0.22 0.00 0.00 54.13 55.88 2vkt s LEU 332 Cb -0.20 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.08 2vkt s LEU 332 CO 0.23 -0.46 0.34 0.21 -1.32 0.00 0.00 176.35 175.35 2vkt s ASN 333 N 1.10 5.38 -0.35 3.68 2.47 -0.30 -4.95 114.94 121.96 2vkt s ASN 333 Ca 0.48 -2.38 -0.24 0.00 0.42 0.00 0.00 52.86 51.14 2vkt s ASN 333 Cb -0.18 -1.88 0.01 0.00 -1.45 0.00 0.00 41.25 37.75 2vkt s ASN 333 CO 0.17 -0.50 0.82 -0.22 -3.72 0.00 0.00 177.10 173.65 2vkt s LEU 334 N 0.64 4.09 -0.27 3.21 2.96 -1.26 -1.48 118.68 126.58 2vkt s LEU 334 Ca 0.12 0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 54.40 2vkt s LEU 334 Cb -0.22 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 2vkt s LEU 334 CO -0.04 -0.74 0.15 -0.04 -1.32 0.00 0.00 176.35 174.36 2vkt s MET 335 N 3.17 3.88 -0.22 1.98 -1.94 0.63 -4.99 119.30 121.81 2vkt s MET 335 Ca 0.33 -0.36 -0.15 0.00 -1.71 0.00 0.00 55.69 53.81 2vkt s MET 335 Cb -0.13 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 2vkt s MET 335 CO 0.16 -0.15 0.34 0.71 -0.01 0.00 0.00 175.02 176.08 2vkt s TYR 336 N 1.63 3.34 -0.15 -0.03 2.02 -1.26 -0.49 117.35 122.41 2vkt s TYR 336 Ca 0.07 0.50 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 2vkt s TYR 336 Cb -0.15 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.93 2vkt s TYR 336 CO 0.08 -0.03 -0.18 0.42 -1.57 0.00 0.00 175.55 174.28 2vkt s ILE 337 N 1.37 2.46 -0.47 2.71 1.01 -0.25 -4.72 121.20 123.30 2vkt s ILE 337 Ca 0.16 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 2vkt s ILE 337 Cb -0.15 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 2vkt s ILE 337 CO 0.07 0.53 1.57 -0.62 0.00 0.00 0.00 174.94 176.50 2vkt s ASP 338 N 0.76 6.00 0.29 3.58 -1.08 -1.24 -1.34 116.67 123.64 2vkt s ASP 338 Ca -0.07 0.68 0.11 0.00 -0.52 0.00 0.00 52.55 52.75 2vkt s ASP 338 Cb -0.16 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.70 2vkt s ASP 338 CO 0.00 -1.74 1.34 -0.24 0.52 0.00 0.00 175.17 175.06 2vkt n SER 339 N 10.03 0.12 0.04 -0.34 2.88 0.35 0.11 113.62 126.82 2vkt n SER 339 Ca 0.17 1.43 0.03 0.00 -1.33 0.00 0.00 58.87 59.18 2vkt n SER 339 Cb 0.49 -0.62 0.42 0.00 -0.75 0.00 0.00 64.21 63.75 2vkt n SER 339 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2vkt h ILE 340 N 0.00 1.12 0.00 2.46 2.04 -1.82 -2.81 117.51 118.50 2vkt h ILE 340 Ca 0.63 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 2vkt h ILE 340 Cb 1.54 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2vkt h ILE 340 CO -0.72 0.14 -0.06 0.44 0.00 0.00 0.00 178.15 177.95 2vkt h ASP 341 N 0.45 0.00 1.00 1.72 3.32 -0.71 -1.46 116.42 120.75 2vkt h ASP 341 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2vkt h ASP 341 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2vkt h ASP 341 CO -0.02 0.06 -0.01 0.18 -1.72 0.00 0.00 179.24 177.73 2vkt n LEU 342 N -3.50 0.04 -4.87 1.55 4.77 -1.06 -4.12 117.00 109.81 2vkt n LEU 342 Ca -0.02 0.49 -0.31 0.00 -0.03 0.00 0.00 56.01 56.14 2vkt n LEU 342 Cb 0.17 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2vkt n LEU 342 CO 0.27 -0.00 0.66 -1.61 -1.33 0.00 0.00 177.39 175.38 2vkt s GLU 343 N -3.00 3.65 0.26 3.23 2.02 -0.55 -4.93 118.70 119.38 2vkt s GLU 343 Ca 0.14 0.69 -0.01 0.00 0.02 0.00 0.00 54.97 55.80 2vkt s GLU 343 Cb 0.19 -2.14 0.50 0.00 0.10 0.00 0.00 34.13 32.78 2vkt s GLU 343 CO 0.54 -0.45 1.80 -0.22 0.02 0.00 0.00 175.26 176.94 2vkt h LYS 344 N -0.00 0.76 -1.00 1.61 1.63 -1.92 -2.51 116.57 115.13 2vkt h LYS 344 Ca -0.45 -0.05 0.19 0.00 -0.85 0.00 0.00 60.65 59.50 2vkt h LYS 344 Cb 1.19 -0.17 -0.11 0.00 -0.60 0.00 0.00 32.23 32.54 2vkt h LYS 344 CO 0.62 0.50 0.61 0.97 -3.45 0.00 0.00 179.45 178.70 2vkt h ILE 345 N 0.78 0.70 -0.02 2.00 2.10 -1.94 -1.46 117.51 119.68 2vkt h ILE 345 Ca 0.46 -0.26 -0.17 0.00 1.08 0.00 0.00 64.86 65.96 2vkt h ILE 345 Cb 0.53 -0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.12 2vkt h ILE 345 CO -0.30 0.14 -0.76 0.74 -1.08 0.00 0.00 178.15 176.89 2vkt h THR 346 N 0.76 1.48 -0.72 2.19 2.02 -1.70 -1.72 112.91 115.22 2vkt h THR 346 Ca 0.58 -2.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 2vkt h THR 346 Cb 0.91 2.31 -0.03 0.00 -1.74 0.00 0.00 68.15 69.60 2vkt h THR 346 CO -0.38 0.70 0.44 -0.08 0.37 0.00 0.00 175.52 176.57 2vkt h GLU 347 N 0.09 0.97 -0.42 6.66 4.81 -1.20 1.02 114.58 126.50 2vkt h GLU 347 Ca -0.02 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2vkt h GLU 347 Cb 1.34 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2vkt h GLU 347 CO 0.11 0.68 0.00 1.15 -0.73 0.00 0.00 179.01 180.22 2vkt h THR 348 N 0.98 1.26 0.00 0.32 2.02 -1.32 -3.23 112.91 112.93 2vkt h THR 348 Ca 0.26 -1.02 -0.34 0.00 0.77 0.00 0.00 66.41 66.08 2vkt h THR 348 Cb -0.05 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2vkt h THR 348 CO -0.05 0.35 -2.26 -0.62 0.37 0.00 0.00 175.52 173.30 2vkt n GLU 349 N -4.42 0.95 -3.11 6.66 1.02 -0.66 -4.74 120.64 116.34 2vkt n GLU 349 Ca -0.00 0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 2vkt n GLU 349 Cb 0.29 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 2vkt n GLU 349 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2vkt n ASP 350 N -2.75 -0.27 -0.04 1.62 4.64 0.35 -5.01 116.55 115.09 2vkt n ASP 350 Ca -0.32 -2.84 0.08 0.00 -1.38 0.00 0.00 54.79 50.34 2vkt n ASP 350 Cb 1.07 -0.21 0.47 0.00 -1.04 0.00 0.00 41.12 41.40 2vkt n ASP 350 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2vkt h PRO 351 N 3.87 0.46 -0.52 -0.67 0.13 -1.51 -1.42 132.00 132.34 2vkt h PRO 351 Ca 0.04 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.18 2vkt h PRO 351 Cb 0.92 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 2vkt h PRO 351 CO 0.44 0.30 0.27 0.28 -0.23 0.00 0.00 178.00 179.06 2vkt h VAL 352 N 0.47 0.98 -0.71 1.56 2.07 -1.90 -1.30 116.25 117.42 2vkt h VAL 352 Ca 0.22 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2vkt h VAL 352 Cb 0.26 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2vkt h VAL 352 CO -0.06 0.10 0.19 0.11 0.02 0.00 0.00 177.57 177.93 2vkt h LYS 353 N 0.53 1.13 -0.01 1.57 1.57 -1.62 -1.57 116.57 118.17 2vkt h LYS 353 Ca 0.22 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2vkt h LYS 353 Cb 0.11 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2vkt h LYS 353 CO -0.14 0.98 0.00 0.35 -0.57 0.00 0.00 179.45 180.07 2vkt h PHE 354 N 1.07 0.01 -0.20 -1.35 3.57 -0.99 -0.84 116.94 118.21 2vkt h PHE 354 Ca 0.23 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2vkt h PHE 354 Cb 0.35 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2vkt h PHE 354 CO 0.03 0.09 -0.29 0.45 -2.23 0.00 0.00 178.31 176.36 2vkt h HIS 355 N -0.08 0.45 -0.27 0.41 3.86 -1.25 -0.67 115.15 117.61 2vkt h HIS 355 Ca 0.00 -0.10 0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2vkt h HIS 355 Cb 0.09 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 2vkt h HIS 355 CO -0.05 0.66 0.07 0.93 0.86 0.00 0.00 177.93 180.40 2vkt h GLU 356 N 0.35 0.17 -0.33 2.45 5.08 -1.01 -1.65 114.58 119.65 2vkt h GLU 356 Ca 0.05 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2vkt h GLU 356 Cb 0.70 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2vkt h GLU 356 CO 0.05 0.11 0.12 0.00 -1.00 0.00 0.00 179.01 178.30 2vkt h ALA 357 N 1.18 0.43 0.00 3.43 0.00 -0.96 -2.76 119.26 120.58 2vkt h ALA 357 Ca 0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2vkt h ALA 357 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2vkt h ALA 357 CO -0.15 0.04 -0.35 -1.49 0.00 0.00 0.00 179.25 177.30 2vkt h TRP 358 N 0.38 0.00 -0.30 0.00 4.06 -0.99 -1.87 115.95 117.23 2vkt h TRP 358 Ca 0.11 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 2vkt h TRP 358 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 2vkt h TRP 358 CO -0.00 0.35 -0.26 0.37 -3.56 0.00 0.00 178.44 175.34 2vkt h GLN 359 N 0.00 0.70 -0.04 0.49 4.15 -1.24 -1.28 115.11 117.89 2vkt h GLN 359 Ca -0.00 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.08 2vkt h GLN 359 Cb 0.67 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 2vkt h GLN 359 CO 0.05 0.97 -0.06 0.87 -1.93 0.00 0.00 178.83 178.72 2vkt h LYS 360 N 0.44 -0.09 -1.00 1.69 1.57 -1.30 -2.20 116.57 115.68 2vkt h LYS 360 Ca 0.05 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2vkt h LYS 360 Cb 0.82 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.10 2vkt h LYS 360 CO 0.07 -0.06 0.66 1.25 -0.57 0.00 0.00 179.45 180.79 2vkt h LEU 361 N -0.09 1.11 -0.51 2.94 5.85 -1.30 -3.02 115.31 120.29 2vkt h LEU 361 Ca 0.04 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2vkt h LEU 361 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2vkt h LEU 361 CO -0.10 0.77 -0.30 0.00 -0.34 0.00 0.00 178.44 178.48 2vkt n LYS 363 N -3.27 1.87 -2.46 0.00 2.85 -0.84 -4.96 118.16 111.34 2vkt n LYS 363 Ca 0.01 -1.30 -0.41 0.00 -1.05 0.00 0.00 58.31 55.57 2vkt n LYS 363 Cb 0.56 -1.44 -0.04 0.00 -0.65 0.00 0.00 35.03 33.46 2vkt n LYS 363 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2vkt s ALA 364 N -1.84 3.39 -0.02 0.58 0.00 -1.06 -4.92 121.76 117.89 2vkt s ALA 364 Ca 0.34 0.87 0.11 0.00 0.00 0.00 0.00 51.96 53.28 2vkt s ALA 364 Cb 0.20 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2vkt s ALA 364 CO 0.30 -0.29 1.31 -0.44 0.00 0.00 0.00 175.76 176.63 2vkt h ASP 365 N 5.31 0.00 -5.06 0.00 3.32 -1.11 -3.46 116.42 115.42 2vkt h ASP 365 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 2vkt h ASP 365 Cb 1.21 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.60 2vkt h ASP 365 CO 0.74 0.77 -0.20 -0.83 -1.72 0.00 0.00 179.24 178.00 2vkt s GLY 366 N -4.62 -0.16 -0.01 2.75 0.00 -1.15 -4.14 107.32 100.00 2vkt s GLY 366 Ca 0.02 -0.00 0.05 0.00 0.00 0.00 0.00 44.72 44.78 2vkt s GLY 366 CO 0.79 -0.23 -0.15 -0.42 0.00 0.00 0.00 173.10 173.09 2vkt s ILE 367 N -2.88 1.17 -0.05 0.90 1.01 0.78 -1.81 121.20 120.31 2vkt s ILE 367 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.96 2vkt s ILE 367 Cb 0.00 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.51 2vkt s ILE 367 CO -0.05 0.30 -0.04 -0.22 0.00 0.00 0.00 174.94 174.93 2vkt s LEU 368 N -0.42 1.16 -0.43 2.97 2.96 -0.22 -1.46 118.68 123.24 2vkt s LEU 368 Ca 0.05 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2vkt s LEU 368 Cb -0.06 -0.48 0.11 0.00 0.50 0.00 0.00 46.19 46.27 2vkt s LEU 368 CO -0.00 -0.09 0.26 -0.69 -1.32 0.00 0.00 176.35 174.51 2vkt s VAL 369 N 1.20 3.63 1.00 1.68 1.01 -0.24 -1.34 120.40 127.34 2vkt s VAL 369 Ca -0.07 -1.97 -0.16 0.00 0.00 0.00 0.00 61.98 59.79 2vkt s VAL 369 Cb -0.14 -3.45 0.20 0.00 0.00 0.00 0.00 36.38 32.99 2vkt s VAL 369 CO -0.02 -0.73 1.22 -2.16 0.00 0.00 0.00 175.10 173.42 2vkt s PRO 370 N 1.21 0.38 -0.84 2.72 0.04 -1.26 -1.35 135.00 135.89 2vkt s PRO 370 Ca 0.07 -0.14 -0.02 0.00 0.04 0.00 0.00 61.00 60.95 2vkt s PRO 370 Cb -0.24 -1.79 0.31 0.00 0.04 0.00 0.00 34.50 32.82 2vkt s PRO 370 CO -0.03 -2.63 2.09 0.41 0.04 0.00 0.00 177.00 176.88 2vkt n GLY 371 N -2.72 5.47 3.62 0.56 0.00 -1.10 -4.30 105.19 106.73 2vkt n GLY 371 Ca 0.12 -2.42 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 2vkt n GLY 371 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vkt s GLY 372 N -0.92 1.56 0.22 -0.02 0.00 -1.26 -4.78 107.32 102.12 2vkt s GLY 372 Ca 0.51 -0.30 0.09 0.00 0.00 0.00 0.00 44.72 45.02 2vkt s GLY 372 CO -0.34 0.35 -0.04 -1.36 0.00 0.00 0.00 173.10 171.70 2vkt s PHE 373 N -2.82 2.69 0.00 1.90 0.08 -1.26 -4.66 117.98 113.90 2vkt s PHE 373 Ca 0.66 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.50 2vkt s PHE 373 Cb -0.20 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 2vkt s PHE 373 CO 0.60 0.57 0.00 0.41 -0.10 0.00 0.00 175.22 176.70 2vkt n GLY 374 N -0.46 3.82 0.08 4.36 0.00 -1.26 -4.77 105.19 106.96 2vkt n GLY 374 Ca -0.08 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.34 2vkt n GLY 374 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2vkt n ILE 375 N -1.46 0.57 -1.93 -0.61 0.13 -1.26 -4.83 119.36 109.97 2vkt n ILE 375 Ca 0.00 -0.07 -0.43 0.00 -1.10 0.00 0.00 62.75 61.15 2vkt n ILE 375 Cb 0.00 -0.74 -0.03 0.00 -0.84 0.00 0.00 39.64 38.03 2vkt n ILE 375 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2vkt s ARG 376 N -3.13 3.90 -0.73 9.51 3.52 -1.26 -2.75 118.95 128.02 2vkt s ARG 376 Ca 0.09 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 2vkt s ARG 376 Cb 0.13 -4.09 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 2vkt s ARG 376 CO 0.51 -1.19 0.00 0.41 -0.81 0.00 0.00 175.30 174.22 2vkt n GLY 377 N 4.61 0.81 0.23 8.12 0.00 -1.26 -4.92 105.19 112.78 2vkt n GLY 377 Ca 0.20 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 2vkt n GLY 377 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2vkt h THR 378 N 0.00 1.03 -0.40 2.61 2.02 -1.84 -2.05 112.91 114.28 2vkt h THR 378 Ca -0.15 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.82 2vkt h THR 378 Cb 0.54 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2vkt h THR 378 CO 0.21 0.12 0.25 -0.07 0.37 0.00 0.00 175.52 176.40 2vkt h LEU 379 N 0.64 0.43 -1.10 2.58 3.38 -1.91 -2.05 115.31 117.29 2vkt h LEU 379 Ca 0.23 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2vkt h LEU 379 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2vkt h LEU 379 CO -0.12 0.31 -0.06 1.23 0.09 0.00 0.00 178.44 179.90 2vkt h GLY 380 N 0.52 0.62 0.99 0.83 0.00 -1.67 -2.29 103.07 102.06 2vkt h GLY 380 Ca 0.15 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2vkt h GLY 380 CO -0.05 0.37 0.22 0.50 0.00 0.00 0.00 176.54 177.59 2vkt h LYS 381 N 0.54 0.87 -0.78 4.80 1.57 -1.09 -1.35 116.57 121.12 2vkt h LYS 381 Ca 0.11 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2vkt h LYS 381 Cb 0.43 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2vkt h LYS 381 CO 0.02 0.75 0.49 -0.07 -0.57 0.00 0.00 179.45 180.07 2vkt h LEU 382 N 0.80 0.78 -0.99 2.94 3.38 -1.07 -1.05 115.31 120.10 2vkt h LEU 382 Ca 0.19 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2vkt h LEU 382 Cb 0.21 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2vkt h LEU 382 CO -0.01 0.52 0.66 1.56 0.09 0.00 0.00 178.44 181.26 2vkt h GLN 383 N 0.92 1.29 -0.31 1.13 1.08 -1.13 -1.14 115.11 116.95 2vkt h GLN 383 Ca 0.33 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 57.32 2vkt h GLN 383 Cb 0.08 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2vkt h GLN 383 CO -0.14 0.85 -0.34 0.00 -0.95 0.00 0.00 178.83 178.26 2vkt h ALA 384 N 1.37 0.83 -0.31 3.87 0.00 -0.62 -2.69 119.26 121.72 2vkt h ALA 384 Ca 0.37 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2vkt h ALA 384 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2vkt h ALA 384 CO -0.09 0.64 -0.21 0.82 0.00 0.00 0.00 179.25 180.42 2vkt h ILE 385 N 0.57 1.30 -0.53 0.00 2.04 -0.82 -1.93 117.51 118.14 2vkt h ILE 385 Ca 0.06 -1.34 0.07 0.00 1.00 0.00 0.00 64.86 64.65 2vkt h ILE 385 Cb 0.85 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 2vkt h ILE 385 CO 0.07 0.43 0.21 0.28 0.00 0.00 0.00 178.15 179.15 2vkt h SER 386 N 0.43 0.25 0.12 1.72 0.02 -1.23 -0.87 113.55 113.99 2vkt h SER 386 Ca 0.06 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2vkt h SER 386 Cb 0.75 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 2vkt h SER 386 CO 0.06 0.17 -0.22 -0.25 -1.14 0.00 0.00 176.83 175.44 2vkt h TRP 387 N 0.41 -0.59 -0.47 3.45 2.91 -1.35 0.59 115.95 120.90 2vkt h TRP 387 Ca 0.25 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 2vkt h TRP 387 Cb 0.25 0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.12 2vkt h TRP 387 CO -0.14 -0.32 0.24 0.00 -1.03 0.00 0.00 178.44 177.19 2vkt h ALA 388 N 0.36 1.54 0.43 2.65 0.00 -1.17 -0.60 119.26 122.47 2vkt h ALA 388 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2vkt h ALA 388 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2vkt h ALA 388 CO -0.12 0.38 -0.21 -0.09 0.00 0.00 0.00 179.25 179.21 2vkt h ARG 389 N 0.66 -0.55 -0.26 0.00 2.43 -0.79 -1.47 114.38 114.40 2vkt h ARG 389 Ca 0.17 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2vkt h ARG 389 Cb 0.05 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2vkt h ARG 389 CO -0.03 -0.34 -0.13 1.79 -1.51 0.00 0.00 179.97 179.75 2vkt h THR 390 N -1.13 1.22 -0.63 0.20 1.35 -0.88 -3.12 112.91 109.94 2vkt h THR 390 Ca -0.06 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2vkt h THR 390 Cb 0.48 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2vkt h THR 390 CO 0.10 0.32 0.00 0.29 -0.25 0.00 0.00 175.52 175.98 2vkt n LYS 391 N -4.21 2.59 -1.88 4.72 4.76 -0.24 -4.96 118.16 118.95 2vkt n LYS 391 Ca 0.00 -2.30 -0.18 0.00 -2.87 0.00 0.00 58.31 52.96 2vkt n LYS 391 Cb 0.32 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 2vkt n LYS 391 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2vkt n LYS 392 N 1.30 -1.31 -2.74 1.97 4.76 -1.07 -4.98 118.16 116.08 2vkt n LYS 392 Ca 0.21 1.01 -0.42 0.00 -2.87 0.00 0.00 58.31 56.24 2vkt n LYS 392 Cb 0.57 -5.36 -0.04 0.00 -1.84 0.00 0.00 35.03 28.36 2vkt n LYS 392 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2vkt s ILE 393 N -2.76 4.78 0.15 -0.18 -1.09 -0.57 -4.63 121.20 116.89 2vkt s ILE 393 Ca 0.00 2.02 -0.34 0.00 -2.23 0.00 0.00 60.65 60.09 2vkt s ILE 393 Cb 0.00 -4.30 -0.16 0.00 -1.58 0.00 0.00 42.46 36.43 2vkt s ILE 393 CO 0.00 0.21 1.31 -2.65 -1.23 0.00 0.00 174.94 172.58 2vkt n PRO 394 N 3.56 1.39 -3.91 2.79 -0.02 -1.26 -4.68 135.00 132.87 2vkt n PRO 394 Ca 0.04 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2vkt n PRO 394 Cb 0.50 -2.10 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 2vkt n PRO 394 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2vkt s PHE 395 N 0.20 0.09 -0.04 6.00 5.36 0.00 -0.16 117.98 129.43 2vkt s PHE 395 Ca 0.77 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.64 2vkt s PHE 395 Cb -0.84 -0.06 0.02 0.00 -0.34 0.00 0.00 43.02 41.80 2vkt s PHE 395 CO 0.48 -0.03 -0.02 -1.17 -1.46 0.00 0.00 175.22 173.02 2vkt s LEU 396 N -0.28 1.19 -0.15 6.12 2.96 -0.53 -1.61 118.68 126.37 2vkt s LEU 396 Ca -0.03 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2vkt s LEU 396 Cb -0.02 -0.35 0.01 0.00 0.50 0.00 0.00 46.19 46.33 2vkt s LEU 396 CO -0.00 -0.09 -0.19 -0.83 -1.32 0.00 0.00 176.35 173.93 2vkt s GLY 397 N 1.05 1.41 -0.26 7.98 0.00 -0.30 -1.08 107.32 116.13 2vkt s GLY 397 Ca -0.09 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 2vkt s GLY 397 CO -0.01 0.05 0.03 0.14 0.00 0.00 0.00 173.10 173.31 2vkt s VAL 398 N 0.90 3.80 0.00 1.40 1.01 -0.46 -0.41 120.40 126.64 2vkt s VAL 398 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2vkt s VAL 398 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2vkt s VAL 398 CO -0.03 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.32 2vkt h LEU 400 N 0.00 0.00 -1.04 0.00 5.85 -1.86 0.12 115.31 118.38 2vkt h LEU 400 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2vkt h LEU 400 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2vkt h LEU 400 CO 0.00 0.00 0.20 1.23 -0.34 0.00 0.00 178.44 179.53 2vkt h GLY 401 N 0.00 0.95 0.91 3.75 0.00 -1.45 -1.41 103.07 105.82 2vkt h GLY 401 Ca 0.25 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2vkt h GLY 401 CO -0.00 0.49 -0.16 1.98 0.00 0.00 0.00 176.54 178.84 2vkt h MET 402 N 0.86 0.61 -0.80 4.80 1.85 -0.89 -2.50 114.93 118.86 2vkt h MET 402 Ca 0.20 -0.28 -0.03 0.00 -0.61 0.00 0.00 59.70 58.98 2vkt h MET 402 Cb 0.23 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 2vkt h MET 402 CO -0.01 0.86 0.40 1.96 -0.40 0.00 0.00 176.91 179.72 2vkt h GLN 403 N 0.35 1.14 -0.33 0.39 4.20 -1.17 -1.76 115.11 117.92 2vkt h GLN 403 Ca 0.06 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 2vkt h GLN 403 Cb 0.69 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2vkt h GLN 403 CO 0.05 0.87 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.74 2vkt h LEU 404 N 1.13 0.69 -1.35 1.46 3.38 -1.27 -2.47 115.31 116.88 2vkt h LEU 404 Ca 0.28 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2vkt h LEU 404 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2vkt h LEU 404 CO -0.04 0.93 -0.06 0.00 0.09 0.00 0.00 178.44 179.36 2vkt h ALA 405 N 1.12 1.47 -0.19 1.53 0.00 -0.96 -0.42 119.26 121.81 2vkt h ALA 405 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2vkt h ALA 405 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2vkt h ALA 405 CO 0.06 0.37 -0.05 0.28 0.00 0.00 0.00 179.25 179.91 2vkt h VAL 406 N 0.35 1.29 -0.44 0.00 2.07 -1.14 -2.41 116.25 115.97 2vkt h VAL 406 Ca 0.07 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2vkt h VAL 406 Cb 0.33 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2vkt h VAL 406 CO 0.01 0.31 0.27 0.40 0.02 0.00 0.00 177.57 178.58 2vkt h ILE 407 N 0.09 1.14 -0.38 4.57 2.04 -1.19 -2.06 117.51 121.72 2vkt h ILE 407 Ca 0.05 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2vkt h ILE 407 Cb 0.50 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2vkt h ILE 407 CO 0.02 0.14 0.08 -0.08 0.00 0.00 0.00 178.15 178.31 2vkt h GLU 408 N 0.59 0.57 -0.20 2.37 4.22 -1.04 -0.52 114.58 120.56 2vkt h GLU 408 Ca 0.16 -0.10 -0.19 0.00 0.08 0.00 0.00 59.36 59.31 2vkt h GLU 408 Cb -0.01 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.15 2vkt h GLU 408 CO -0.03 0.53 -0.62 0.35 -2.18 0.00 0.00 179.01 177.06 2vkt h PHE 409 N 0.56 1.01 0.16 0.92 3.57 -1.20 -1.70 116.94 120.26 2vkt h PHE 409 Ca 0.13 -0.41 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 2vkt h PHE 409 Cb 0.23 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2vkt h PHE 409 CO 0.01 1.23 -0.08 0.00 -2.23 0.00 0.00 178.31 177.24 2vkt h ALA 410 N 0.59 -0.21 -0.28 2.41 0.00 -0.90 0.14 119.26 121.01 2vkt h ALA 410 Ca -0.02 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2vkt h ALA 410 Cb 1.25 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 2vkt h ALA 410 CO 0.13 -0.56 -0.18 0.00 0.00 0.00 0.00 179.25 178.64 2vkt h ARG 411 N -0.32 -0.15 -0.00 0.00 3.08 -1.13 0.14 114.38 116.00 2vkt h ARG 411 Ca -0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2vkt h ARG 411 Cb 0.25 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2vkt h ARG 411 CO 0.04 -0.10 -0.57 0.09 -1.07 0.00 0.00 179.97 178.35 2vkt n ASN 412 N -5.35 0.73 -0.03 7.04 3.02 -0.64 -3.41 115.26 116.62 2vkt n ASN 412 Ca -0.00 -0.86 -0.02 0.00 -0.03 0.00 0.00 54.58 53.67 2vkt n ASN 412 Cb 0.26 0.93 -0.05 0.00 -0.61 0.00 0.00 39.78 40.31 2vkt n ASN 412 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vkt n LEU 414 N -2.15 1.47 -2.85 0.00 4.77 -0.88 -5.01 117.00 112.35 2vkt n LEU 414 Ca -0.08 -0.67 -0.21 0.00 -0.03 0.00 0.00 56.01 55.02 2vkt n LEU 414 Cb 0.62 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2vkt n LEU 414 CO 0.12 0.30 -0.09 0.59 -1.33 0.00 0.00 177.39 176.98 2vkt n ASN 415 N -0.56 -5.29 -4.44 -1.43 3.02 -0.02 -4.95 115.26 101.60 2vkt n ASN 415 Ca 0.06 -0.17 -0.44 0.00 -0.03 0.00 0.00 54.58 54.01 2vkt n ASN 415 Cb 0.36 -4.35 -0.03 0.00 -0.61 0.00 0.00 39.78 35.15 2vkt n ASN 415 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2vkt s LEU 416 N -6.33 5.15 0.58 3.41 1.43 -0.90 -4.91 118.68 117.10 2vkt s LEU 416 Ca 0.20 -2.00 0.33 0.00 -1.03 0.00 0.00 54.13 51.64 2vkt s LEU 416 Cb -0.10 -2.38 1.80 0.00 0.03 0.00 0.00 46.19 45.54 2vkt s LEU 416 CO 0.25 -1.05 2.19 0.11 0.23 0.00 0.00 176.35 178.08 2vkt h LYS 417 N 8.82 0.00 -0.41 1.70 1.79 -1.85 -2.64 116.57 123.98 2vkt h LYS 417 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2vkt h LYS 417 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2vkt h LYS 417 CO 1.09 0.05 0.00 -0.25 -1.08 0.00 0.00 179.45 179.25 2vkt n ASP 418 N -3.48 3.10 -4.65 0.86 8.00 -1.26 -4.93 116.55 114.18 2vkt n ASP 418 Ca -0.02 -1.98 -0.47 0.00 0.71 0.00 0.00 54.79 53.03 2vkt n ASP 418 Cb 0.16 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 2vkt n ASP 418 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vkt n ALA 419 N 0.76 0.75 -4.06 2.24 0.00 -0.99 -4.38 120.51 114.83 2vkt n ALA 419 Ca 0.14 0.46 -0.14 0.00 0.00 0.00 0.00 53.44 53.89 2vkt n ALA 419 Cb 0.46 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 2vkt n ALA 419 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2vkt n ASP 420 N 2.97 -1.33 -4.35 0.00 -0.08 -0.76 -4.93 116.55 108.08 2vkt n ASP 420 Ca 0.16 -2.92 -0.33 0.00 -1.51 0.00 0.00 54.79 50.19 2vkt n ASP 420 Cb 0.27 2.51 -0.15 0.00 2.34 0.00 0.00 41.12 46.09 2vkt n ASP 420 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2vkt s SER 421 N -3.19 3.74 0.30 1.67 0.15 -1.26 -1.92 113.70 113.18 2vkt s SER 421 Ca 0.30 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 56.83 2vkt s SER 421 Cb -0.01 -1.37 0.99 0.00 -1.71 0.00 0.00 66.02 63.92 2vkt s SER 421 CO 0.21 0.20 1.76 0.71 1.20 0.00 0.00 173.24 177.33 2vkt h THR 422 N 5.26 0.00 -0.84 6.45 1.35 -1.41 -2.18 112.91 121.54 2vkt h THR 422 Ca -0.28 -0.34 0.20 0.00 -0.55 0.00 0.00 66.41 65.43 2vkt h THR 422 Cb 1.20 1.17 -0.05 0.00 -1.73 0.00 0.00 68.15 68.74 2vkt h THR 422 CO 0.52 0.00 0.57 -0.08 -0.25 0.00 0.00 175.52 176.28 2vkt h GLU 423 N 0.00 0.28 0.00 4.72 4.81 -1.95 -3.05 114.58 119.39 2vkt h GLU 423 Ca 0.00 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.97 2vkt h GLU 423 Cb 0.48 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2vkt h GLU 423 CO 0.00 0.18 -1.75 1.19 -0.73 0.00 0.00 179.01 177.90 2vkt n PHE 424 N -4.44 0.00 -3.60 0.92 0.99 -0.84 -4.79 117.46 105.70 2vkt n PHE 424 Ca 0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.22 2vkt n PHE 424 Cb 0.71 -0.59 -0.09 0.00 -1.00 0.00 0.00 39.48 38.51 2vkt n PHE 424 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 2vkt s ARG 425 N -2.39 2.44 0.56 -1.08 3.03 -1.08 -4.98 118.95 115.45 2vkt s ARG 425 Ca -0.24 -1.86 0.25 0.00 2.03 0.00 0.00 55.73 55.91 2vkt s ARG 425 Cb 0.08 -3.87 1.48 0.00 -1.03 0.00 0.00 34.95 31.62 2vkt s ARG 425 CO 0.31 -1.18 2.06 -1.35 -1.13 0.00 0.00 175.30 174.01 2vkt h PRO 426 N 8.25 0.00 -0.63 3.89 0.11 -1.80 -1.51 132.00 140.31 2vkt h PRO 426 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2vkt h PRO 426 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2vkt h PRO 426 CO 0.82 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.70 2vkt n ASN 427 N -4.14 5.19 -4.67 -2.05 3.02 -1.26 -4.90 115.26 106.45 2vkt n ASN 427 Ca 0.04 -2.69 -0.54 0.00 -0.03 0.00 0.00 54.58 51.36 2vkt n ASN 427 Cb 0.42 -0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 2vkt n ASN 427 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vkt n ALA 428 N 0.84 -0.20 0.09 5.41 0.00 -0.57 -4.87 120.51 121.21 2vkt n ALA 428 Ca 0.26 0.42 0.14 0.00 0.00 0.00 0.00 53.44 54.27 2vkt n ALA 428 Cb 1.04 -2.22 0.65 0.00 0.00 0.00 0.00 19.45 18.92 2vkt n ALA 428 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2vkt h PRO 429 N 6.52 0.05 -3.22 0.00 0.11 -1.91 -3.31 132.00 130.23 2vkt h PRO 429 Ca -0.47 -0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.00 2vkt h PRO 429 Cb 1.31 -0.01 -0.41 0.00 0.11 0.00 0.00 31.00 32.00 2vkt h PRO 429 CO 0.90 0.03 -0.57 0.08 -0.21 0.00 0.00 178.00 178.23 2vkt s VAL 430 N -5.08 2.86 -1.28 3.15 1.01 -1.26 -5.04 120.40 114.76 2vkt s VAL 430 Ca -0.05 -3.87 -0.16 0.00 0.00 0.00 0.00 61.98 57.90 2vkt s VAL 430 Cb 0.19 -2.91 0.11 0.00 0.00 0.00 0.00 36.38 33.76 2vkt s VAL 430 CO 0.71 -0.93 1.68 -0.81 0.00 0.00 0.00 175.10 175.76 2vkt n PRO 431 N 2.46 3.25 -0.03 2.72 -0.04 -1.25 -1.82 135.00 140.29 2vkt n PRO 431 Ca 0.14 -3.44 -0.12 0.00 -0.04 0.00 0.00 63.50 60.04 2vkt n PRO 431 Cb 0.34 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 2vkt n PRO 431 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2vkt h LEU 432 N 11.09 0.79 -8.44 1.53 5.85 -1.76 -3.43 115.31 120.94 2vkt h LEU 432 Ca 0.41 -0.44 -0.67 0.00 0.84 0.00 0.00 57.88 58.03 2vkt h LEU 432 Cb 0.84 -0.23 -0.30 0.00 0.37 0.00 0.00 40.66 41.34 2vkt h LEU 432 CO 1.43 1.20 -0.81 -0.69 -0.34 0.00 0.00 178.44 179.23 2vkt s VAL 433 N -4.00 2.67 0.19 1.05 1.01 -0.93 -0.23 120.40 120.16 2vkt s VAL 433 Ca -0.09 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2vkt s VAL 433 Cb 0.10 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2vkt s VAL 433 CO 0.87 0.53 -0.01 0.27 0.00 0.00 0.00 175.10 176.75 2vkt s ILE 434 N 0.59 0.83 -0.42 2.22 -4.36 0.62 -1.46 121.20 119.23 2vkt s ILE 434 Ca -0.09 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.02 2vkt s ILE 434 Cb -0.16 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.41 2vkt s ILE 434 CO 0.03 -0.45 1.04 -0.62 0.24 0.00 0.00 174.94 175.18 2vkt s ASP 435 N -3.21 6.69 -0.51 4.36 2.15 -1.26 -0.29 116.67 124.59 2vkt s ASP 435 Ca 0.25 0.56 0.06 0.00 0.43 0.00 0.00 52.55 53.85 2vkt s ASP 435 Cb 0.06 -2.51 0.20 0.00 -0.30 0.00 0.00 42.92 40.37 2vkt s ASP 435 CO 0.05 -1.05 0.49 0.80 -0.17 0.00 0.00 175.17 175.29 2vkt n MET 436 N 7.27 1.05 -2.72 4.34 0.00 -0.08 -4.97 117.12 122.01 2vkt n MET 436 Ca 0.10 -3.71 -0.33 0.00 -0.00 0.00 0.00 57.70 53.76 2vkt n MET 436 Cb 0.48 -1.78 -0.06 0.00 0.00 0.00 0.00 33.22 31.87 2vkt n MET 436 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2vkt s PRO 437 N -1.00 4.11 -0.12 2.12 0.04 -1.26 -4.82 135.00 134.07 2vkt s PRO 437 Ca 0.33 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 2vkt s PRO 437 Cb 0.07 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2vkt s PRO 437 CO -0.14 -0.09 1.51 -1.21 0.04 0.00 0.00 177.00 177.11 2vkt s GLU 438 N -3.46 4.14 -0.95 4.56 2.02 -1.26 -4.74 118.70 119.02 2vkt s GLU 438 Ca 0.60 1.92 -0.16 0.00 0.02 0.00 0.00 54.97 57.35 2vkt s GLU 438 Cb -0.09 -3.92 0.17 0.00 0.10 0.00 0.00 34.13 30.39 2vkt s GLU 438 CO 0.20 -0.86 1.05 -1.01 0.02 0.00 0.00 175.26 174.66 2vkt s HIS 439 N 4.01 3.45 0.06 1.61 3.76 -1.26 -4.71 115.29 122.22 2vkt s HIS 439 Ca 0.66 -1.77 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 2vkt s HIS 439 Cb -0.28 -4.11 0.00 0.00 1.11 0.00 0.00 32.58 29.30 2vkt s HIS 439 CO 0.24 -1.28 0.00 0.25 -0.85 0.00 0.00 174.74 173.10 2vkt n THR 447 N 4.70 0.00 -3.39 1.30 -2.24 -1.26 -5.24 114.28 108.15 2vkt n THR 447 Ca 0.22 0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.69 2vkt n THR 447 Cb 0.47 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 2vkt n THR 447 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2vkt s MET 448 N -1.37 3.84 -0.30 -0.78 -2.45 -1.26 -4.50 119.30 112.49 2vkt s MET 448 Ca 0.00 0.33 -0.29 0.00 -1.25 0.00 0.00 55.69 54.48 2vkt s MET 448 Cb 0.00 -2.69 -0.01 0.00 1.25 0.00 0.00 34.83 33.38 2vkt s MET 448 CO 0.00 0.34 1.44 0.50 1.05 0.00 0.00 175.02 178.35 2vkt s ARG 449 N -2.65 3.79 0.23 4.11 3.52 -0.59 -4.80 118.95 122.55 2vkt s ARG 449 Ca 0.46 1.32 0.02 0.00 -0.13 0.00 0.00 55.73 57.40 2vkt s ARG 449 Cb -0.12 -3.97 -0.05 0.00 -1.56 0.00 0.00 34.95 29.25 2vkt s ARG 449 CO 0.21 -1.29 0.03 -0.51 -0.81 0.00 0.00 175.30 172.93 2vkt s LEU 450 N 4.93 2.00 0.00 -0.88 1.43 -1.26 -2.73 118.68 122.18 2vkt s LEU 450 Ca 0.63 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2vkt s LEU 450 Cb -0.19 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.91 2vkt s LEU 450 CO 0.27 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.86 2vkt n GLY 451 N -0.39 -1.87 3.72 -3.19 0.00 -1.22 -4.75 105.19 97.48 2vkt n GLY 451 Ca -0.04 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2vkt n GLY 451 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vkt s ILE 452 N -0.24 4.04 0.08 -0.61 1.09 -1.26 -1.92 121.20 122.39 2vkt s ILE 452 Ca 0.00 1.49 -0.00 0.00 -1.10 0.00 0.00 60.65 61.04 2vkt s ILE 452 Cb 0.00 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 2vkt s ILE 452 CO 0.00 0.13 -0.02 -0.13 -0.10 0.00 0.00 174.94 174.82 2vkt s ARG 453 N 0.91 0.75 0.22 2.79 1.81 -0.62 -4.95 118.95 119.87 2vkt s ARG 453 Ca 0.58 -1.31 -0.27 0.00 -1.72 0.00 0.00 55.73 53.01 2vkt s ARG 453 Cb -0.29 0.08 -0.09 0.00 -0.45 0.00 0.00 34.95 34.20 2vkt s ARG 453 CO 0.30 -0.11 0.87 0.50 -0.68 0.00 0.00 175.30 176.17 2vkt s ARG 454 N -3.92 4.69 -0.10 3.54 6.06 -1.26 -2.51 118.95 125.44 2vkt s ARG 454 Ca 0.12 1.31 0.02 0.00 -2.50 0.00 0.00 55.73 54.68 2vkt s ARG 454 Cb 0.07 -3.20 0.02 0.00 0.06 0.00 0.00 34.95 31.90 2vkt s ARG 454 CO -0.06 0.51 -0.13 0.99 -2.50 0.00 0.00 175.30 174.10 2vkt s THR 455 N -1.24 1.34 -0.22 4.11 2.01 -0.03 -4.26 115.64 117.36 2vkt s THR 455 Ca 0.40 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 2vkt s THR 455 Cb -0.24 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2vkt s THR 455 CO 0.28 0.41 0.03 -0.69 -0.69 0.00 0.00 174.62 173.96 2vkt s VAL 456 N 0.98 4.13 0.44 3.82 1.01 0.80 -1.13 120.40 130.45 2vkt s VAL 456 Ca -0.08 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 2vkt s VAL 456 Cb -0.15 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2vkt s VAL 456 CO -0.01 0.40 1.43 -0.36 0.00 0.00 0.00 175.10 176.56 2vkt s PHE 457 N 1.16 2.50 -1.63 5.22 0.40 -1.03 -2.12 117.98 122.48 2vkt s PHE 457 Ca 0.03 1.25 0.19 0.00 -0.60 0.00 0.00 56.93 57.81 2vkt s PHE 457 Cb -0.14 -3.93 -0.04 0.00 0.51 0.00 0.00 43.02 39.42 2vkt s PHE 457 CO 0.02 -2.91 0.95 1.63 0.70 0.00 0.00 175.22 175.61 2vkt n LYS 458 N -0.07 1.34 -3.79 0.44 5.02 -0.77 -4.94 118.16 115.38 2vkt n LYS 458 Ca 0.04 -0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 55.48 2vkt n LYS 458 Cb 0.41 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 2vkt n LYS 458 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2vkt s THR 459 N -2.30 0.02 -0.13 -0.18 -1.32 -1.26 -5.07 115.64 105.40 2vkt s THR 459 Ca 0.15 -0.91 0.22 0.00 -1.21 0.00 0.00 61.69 59.93 2vkt s THR 459 Cb 0.15 -1.71 -0.26 0.00 -1.51 0.00 0.00 72.50 69.18 2vkt s THR 459 CO 0.54 -0.10 0.63 -0.62 -2.21 0.00 0.00 174.62 172.86 2vkt n GLU 460 N -0.35 0.61 -2.73 7.08 1.02 -1.26 -4.70 120.64 120.31 2vkt n GLU 460 Ca -0.08 -0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.51 2vkt n GLU 460 Cb 0.62 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 2vkt n GLU 460 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2vkt s ASN 461 N -4.63 6.84 -0.17 1.62 -0.87 -1.26 -4.90 114.94 111.57 2vkt s ASN 461 Ca -0.05 -2.42 -0.08 0.00 -1.57 0.00 0.00 52.86 48.74 2vkt s ASN 461 Cb 0.13 -2.50 0.06 0.00 -0.02 0.00 0.00 41.25 38.92 2vkt s ASN 461 CO 0.88 -1.08 0.39 -0.55 -2.57 0.00 0.00 177.10 174.17 2vkt s SER 462 N 3.84 -0.40 0.28 -1.22 0.15 -1.26 -5.03 113.70 110.05 2vkt s SER 462 Ca 0.47 0.86 -0.03 0.00 0.70 0.00 0.00 55.95 57.95 2vkt s SER 462 Cb 0.00 0.84 0.37 0.00 -1.71 0.00 0.00 66.02 65.53 2vkt s SER 462 CO 0.01 -0.20 1.89 -0.29 1.20 0.00 0.00 173.24 175.85 2vkt h ILE 463 N 5.73 1.23 -0.40 6.45 6.09 -2.00 -2.64 117.51 131.97 2vkt h ILE 463 Ca -0.32 -0.59 -0.14 0.00 -1.37 0.00 0.00 64.86 62.44 2vkt h ILE 463 Cb 1.16 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.69 2vkt h ILE 463 CO 0.26 0.26 -0.28 -0.07 -3.07 0.00 0.00 178.15 175.25 2vkt h LEU 464 N 1.04 0.94 -0.42 2.19 3.38 -1.99 -1.53 115.31 118.93 2vkt h LEU 464 Ca 0.26 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2vkt h LEU 464 Cb 0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 2vkt h LEU 464 CO -0.04 1.17 0.03 -0.09 0.09 0.00 0.00 178.44 179.60 2vkt h ARG 465 N 0.72 0.14 -0.48 1.13 2.43 -1.91 -0.48 114.38 115.94 2vkt h ARG 465 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2vkt h ARG 465 Cb 0.86 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 2vkt h ARG 465 CO 0.08 0.09 0.28 0.87 -1.51 0.00 0.00 179.97 179.78 2vkt h LYS 466 N 0.15 0.65 -0.17 0.20 1.57 -1.32 0.41 116.57 118.05 2vkt h LYS 466 Ca 0.20 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2vkt h LYS 466 Cb 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2vkt h LYS 466 CO -0.31 0.49 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.93 2vkt h LEU 467 N 0.63 0.23 -0.46 2.94 3.38 -0.89 -1.47 115.31 119.68 2vkt h LEU 467 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vkt h LEU 467 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2vkt h LEU 467 CO -0.03 0.33 0.00 -1.22 0.09 0.00 0.00 178.44 177.61 2vkt n TYR 468 N -4.34 0.03 -0.37 1.13 4.02 -0.22 -4.85 117.16 112.55 2vkt n TYR 468 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2vkt n TYR 468 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 2vkt n TYR 468 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vkt n GLY 469 N 1.05 0.98 2.38 2.72 0.00 -0.55 -4.26 105.19 107.50 2vkt n GLY 469 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2vkt n GLY 469 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vkt n ASP 470 N 0.61 -4.22 -4.75 1.61 8.00 0.07 -5.00 116.55 112.87 2vkt n ASP 470 Ca 0.00 0.06 -0.38 0.00 0.71 0.00 0.00 54.79 55.18 2vkt n ASP 470 Cb 0.04 -1.92 0.04 0.00 -0.02 0.00 0.00 41.12 39.25 2vkt n ASP 470 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vkt s VAL 471 N -1.78 2.14 -1.40 2.53 1.01 -1.26 -4.92 120.40 116.72 2vkt s VAL 471 Ca 0.00 0.10 0.27 0.00 0.00 0.00 0.00 61.98 62.35 2vkt s VAL 471 Cb 0.00 -3.05 0.46 0.00 0.00 0.00 0.00 36.38 33.78 2vkt s VAL 471 CO 0.00 -0.00 1.92 -0.81 0.00 0.00 0.00 175.10 176.21 2vkt n PRO 472 N -0.97 0.36 -3.50 2.72 -0.04 -1.26 -4.89 135.00 127.42 2vkt n PRO 472 Ca 0.10 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2vkt n PRO 472 Cb 0.45 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 2vkt n PRO 472 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2vkt s PHE 473 N -2.60 -0.48 0.23 0.54 -0.71 -1.26 -2.46 117.98 111.23 2vkt s PHE 473 Ca 0.25 0.57 0.04 0.00 -1.04 0.00 0.00 56.93 56.74 2vkt s PHE 473 Cb 0.18 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.43 2vkt s PHE 473 CO 0.42 -0.60 -0.01 0.96 -1.34 0.00 0.00 175.22 174.65 2vkt s ILE 474 N -2.38 1.05 -0.14 -4.49 -4.36 -0.28 -4.97 121.20 105.63 2vkt s ILE 474 Ca -0.02 -2.04 -0.00 0.00 -0.26 0.00 0.00 60.65 58.33 2vkt s ILE 474 Cb -0.01 -2.31 0.03 0.00 1.25 0.00 0.00 42.46 41.42 2vkt s ILE 474 CO -0.03 -0.35 -0.08 -1.61 0.24 0.00 0.00 174.94 173.11 2vkt s GLU 475 N -3.85 1.62 0.24 0.37 2.02 -1.26 -0.85 118.70 116.99 2vkt s GLU 475 Ca 0.28 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.88 2vkt s GLU 475 Cb 0.05 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 2vkt s GLU 475 CO 0.08 -0.32 0.16 -1.21 0.02 0.00 0.00 175.26 173.99 2vkt s GLU 476 N 1.64 1.36 0.04 1.61 0.41 -1.05 -4.90 118.70 117.81 2vkt s GLU 476 Ca 0.03 -1.74 -0.18 0.00 -0.41 0.00 0.00 54.97 52.67 2vkt s GLU 476 Cb -0.14 0.18 -0.06 0.00 -1.78 0.00 0.00 34.13 32.34 2vkt s GLU 476 CO -0.08 -0.43 0.53 0.50 -0.49 0.00 0.00 175.26 175.28 2vkt s ARG 477 N -3.99 4.16 0.09 1.61 3.52 -1.26 -1.58 118.95 121.49 2vkt s ARG 477 Ca 0.39 0.64 0.10 0.00 -0.13 0.00 0.00 55.73 56.73 2vkt s ARG 477 Cb 0.06 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2vkt s ARG 477 CO 0.15 0.59 -0.25 -1.01 -0.81 0.00 0.00 175.30 173.98 2vkt s HIS 478 N -0.89 2.14 -0.50 5.12 3.76 -0.81 -1.17 115.29 122.94 2vkt s HIS 478 Ca 0.28 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 2vkt s HIS 478 Cb -0.18 -1.21 0.19 0.00 1.11 0.00 0.00 32.58 32.49 2vkt s HIS 478 CO 0.17 0.23 0.70 0.50 -0.85 0.00 0.00 174.74 175.49 2vkt s ARG 479 N -1.71 1.04 -0.03 1.40 3.52 -1.14 -3.46 118.95 118.56 2vkt s ARG 479 Ca 0.11 -1.03 -0.30 0.00 -0.13 0.00 0.00 55.73 54.39 2vkt s ARG 479 Cb -0.10 -0.10 0.08 0.00 -1.56 0.00 0.00 34.95 33.27 2vkt s ARG 479 CO 0.04 -1.32 0.71 -3.38 -0.81 0.00 0.00 175.30 170.55 2vkt s HIS 480 N 0.94 -0.60 0.00 5.12 -3.43 -1.10 -5.00 115.29 111.22 2vkt s HIS 480 Ca 0.29 0.94 0.00 0.00 -0.80 0.00 0.00 55.06 55.49 2vkt s HIS 480 Cb -0.00 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 2vkt s HIS 480 CO -0.06 -0.61 0.00 2.89 -2.00 0.00 0.00 174.74 174.96 2vkt n ARG 481 N 0.69 2.41 -3.29 -0.38 1.85 -1.26 -1.55 116.66 115.12 2vkt n ARG 481 Ca -0.17 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.28 2vkt n ARG 481 Cb 0.58 -0.23 -0.08 0.00 -1.05 0.00 0.00 32.46 31.69 2vkt n ARG 481 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2vkt s PHE 482 N -0.34 3.24 0.25 2.89 0.40 -1.26 -0.90 117.98 122.25 2vkt s PHE 482 Ca 0.00 0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.84 2vkt s PHE 482 Cb 0.00 -2.72 -0.05 0.00 0.51 0.00 0.00 43.02 40.75 2vkt s PHE 482 CO 0.00 -0.34 -0.12 -1.21 0.70 0.00 0.00 175.22 174.26 2vkt s GLU 483 N 2.25 1.47 0.24 0.44 0.41 0.60 -4.84 118.70 119.26 2vkt s GLU 483 Ca 0.18 -1.69 -0.31 0.00 -0.41 0.00 0.00 54.97 52.73 2vkt s GLU 483 Cb -0.16 -1.24 -0.12 0.00 -1.78 0.00 0.00 34.13 30.83 2vkt s GLU 483 CO 0.11 0.15 1.61 0.28 -0.49 0.00 0.00 175.26 176.91 2vkt n VAL 484 N -0.50 0.52 -2.17 2.63 0.31 -1.26 -0.28 118.33 117.58 2vkt n VAL 484 Ca -0.07 -0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 63.71 2vkt n VAL 484 Cb 0.61 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.70 2vkt n VAL 484 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2vkt s ASN 485 N 0.75 6.46 0.52 4.52 3.84 0.68 -4.77 114.94 126.95 2vkt s ASN 485 Ca 0.71 1.59 0.19 0.00 0.21 0.00 0.00 52.86 55.55 2vkt s ASN 485 Cb -0.55 -2.53 1.32 0.00 -0.55 0.00 0.00 41.25 38.93 2vkt s ASN 485 CO 0.42 -1.20 2.10 -0.65 -2.79 0.00 0.00 177.10 174.98 2vkt h PRO 486 N 10.36 0.00 0.00 0.43 0.11 -1.90 -1.23 132.00 139.77 2vkt h PRO 486 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2vkt h PRO 486 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2vkt h PRO 486 CO 1.00 0.00 -0.05 -0.91 -0.21 0.00 0.00 178.00 177.83 2vkt h ASN 487 N 0.00 0.00 -0.02 -2.05 2.35 -1.96 -2.98 115.58 110.91 2vkt h ASN 487 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2vkt h ASN 487 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2vkt h ASN 487 CO -0.00 0.05 -0.18 0.18 -1.65 0.00 0.00 177.43 175.84 2vkt n LEU 488 N -3.98 2.45 -0.34 1.61 4.77 -0.47 -4.55 117.00 116.48 2vkt n LEU 488 Ca -0.03 -0.90 0.03 0.00 -0.03 0.00 0.00 56.01 55.08 2vkt n LEU 488 Cb 0.14 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.40 2vkt n LEU 488 CO 0.30 0.43 1.22 0.40 -1.33 0.00 0.00 177.39 178.41 2vkt h ILE 489 N 3.45 1.02 -0.81 -0.08 2.04 -1.44 -2.67 117.51 119.02 2vkt h ILE 489 Ca 0.00 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.62 2vkt h ILE 489 Cb 0.82 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 2vkt h ILE 489 CO 0.00 0.19 0.53 0.50 0.00 0.00 0.00 178.15 179.36 2vkt h LYS 490 N 1.02 0.65 0.00 2.37 3.64 -1.80 -1.82 116.57 120.64 2vkt h LYS 490 Ca 0.42 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2vkt h LYS 490 Cb 0.25 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2vkt h LYS 490 CO -0.20 0.43 0.00 1.04 -2.27 0.00 0.00 179.45 178.45 2vkt n GLN 491 N -4.51 0.05 0.04 1.90 6.02 -1.01 -2.10 117.38 117.77 2vkt n GLN 491 Ca 0.14 0.30 0.11 0.00 -0.01 0.00 0.00 57.00 57.54 2vkt n GLN 491 Cb 0.38 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 2vkt n GLN 491 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2vkt n PHE 492 N -1.36 0.38 -1.66 1.08 3.01 -0.68 -4.91 117.46 113.31 2vkt n PHE 492 Ca 0.02 0.11 -0.43 0.00 1.01 0.00 0.00 57.45 58.17 2vkt n PHE 492 Cb 0.05 -0.56 -0.00 0.00 -0.01 0.00 0.00 39.48 38.96 2vkt n PHE 492 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2vkt n GLU 493 N -2.15 1.81 -1.45 -1.08 1.02 -0.89 -2.19 120.64 115.70 2vkt n GLU 493 Ca 0.01 0.64 -0.16 0.00 -0.02 0.00 0.00 57.16 57.62 2vkt n GLU 493 Cb 0.48 -2.18 -0.07 0.00 -0.02 0.00 0.00 31.44 29.65 2vkt n GLU 493 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2vkt n GLN 494 N 0.47 -1.49 -3.71 3.49 6.02 -1.26 -4.98 117.38 115.91 2vkt n GLN 494 Ca 0.07 1.02 -0.24 0.00 -0.01 0.00 0.00 57.00 57.84 2vkt n GLN 494 Cb 0.36 -5.35 -0.01 0.00 1.02 0.00 0.00 30.24 26.25 2vkt n GLN 494 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2vkt s ASN 495 N -2.48 4.81 0.33 1.08 0.01 -0.93 -5.07 114.94 112.69 2vkt s ASN 495 Ca 0.00 -1.02 0.26 0.00 -0.71 0.00 0.00 52.86 51.39 2vkt s ASN 495 Cb 0.00 -0.03 0.80 0.00 0.41 0.00 0.00 41.25 42.43 2vkt s ASN 495 CO 0.00 -0.92 1.75 0.44 -1.51 0.00 0.00 177.10 176.86 2vkt h ASP 496 N 0.86 0.00 -3.40 -1.22 5.19 -1.93 -3.44 116.42 112.49 2vkt h ASP 496 Ca -0.38 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.44 2vkt h ASP 496 Cb 1.28 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.70 2vkt h ASP 496 CO 0.57 0.00 0.16 -0.22 -3.12 0.00 0.00 179.24 176.63 2vkt s LEU 497 N -5.21 4.16 -0.03 1.55 2.96 -1.26 -1.66 118.68 119.18 2vkt s LEU 497 Ca 0.07 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 2vkt s LEU 497 Cb 0.09 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 2vkt s LEU 497 CO 0.57 -0.29 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.73 2vkt s SER 498 N 1.17 4.07 -0.41 3.68 0.01 0.18 -4.91 113.70 117.50 2vkt s SER 498 Ca 0.30 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 57.11 2vkt s SER 498 Cb -0.16 -0.84 0.02 0.00 0.21 0.00 0.00 66.02 65.25 2vkt s SER 498 CO 0.11 0.32 0.79 -0.36 0.41 0.00 0.00 173.24 174.52 2vkt s PHE 499 N -0.80 3.05 -0.88 2.43 0.40 -1.26 -1.60 117.98 119.31 2vkt s PHE 499 Ca 0.13 0.38 0.11 0.00 -0.60 0.00 0.00 56.93 56.95 2vkt s PHE 499 Cb -0.11 -3.55 -0.04 0.00 0.51 0.00 0.00 43.02 39.83 2vkt s PHE 499 CO 0.02 -0.87 0.62 0.28 0.70 0.00 0.00 175.22 175.97 2vkt n VAL 500 N 5.98 0.00 -3.76 -0.44 0.31 -0.19 -4.88 118.33 115.35 2vkt n VAL 500 Ca 0.03 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.90 2vkt n VAL 500 Cb 0.48 1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 34.42 2vkt n VAL 500 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2vkt s GLY 501 N -1.69 -0.15 0.07 2.92 0.00 -1.16 -1.85 107.32 105.46 2vkt s GLY 501 Ca 0.08 0.32 -0.09 0.00 0.00 0.00 0.00 44.72 45.02 2vkt s GLY 501 CO 0.35 0.11 0.20 1.62 0.00 0.00 0.00 173.10 175.38 2vkt s GLN 502 N -1.36 0.79 1.00 2.90 0.74 -0.90 -1.13 119.66 121.69 2vkt s GLN 502 Ca -0.13 -0.80 -0.13 0.00 0.05 0.00 0.00 55.36 54.35 2vkt s GLN 502 Cb -0.05 0.32 0.19 0.00 1.10 0.00 0.00 33.01 34.57 2vkt s GLN 502 CO 0.04 -0.24 1.10 0.16 -0.55 0.00 0.00 175.29 175.80 2vkt s ASP 503 N -2.51 2.67 0.20 6.67 -4.77 -0.77 -0.14 116.67 118.02 2vkt s ASP 503 Ca 0.00 1.09 -0.10 0.00 -3.30 0.00 0.00 52.55 50.24 2vkt s ASP 503 Cb 0.02 -1.72 0.14 0.00 -1.09 0.00 0.00 42.92 40.27 2vkt s ASP 503 CO -0.08 -3.09 1.83 0.58 0.70 0.00 0.00 175.17 175.11 2vkt h VAL 504 N -1.87 1.21 0.00 2.11 2.07 -1.94 -2.26 116.25 115.58 2vkt h VAL 504 Ca -0.54 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2vkt h VAL 504 Cb 1.33 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2vkt h VAL 504 CO 0.58 0.23 -0.03 0.44 0.02 0.00 0.00 177.57 178.81 2vkt h ASP 505 N 1.01 0.00 -0.09 0.57 3.32 -1.96 -3.47 116.42 115.79 2vkt h ASP 505 Ca 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2vkt h ASP 505 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2vkt h ASP 505 CO -0.05 0.03 -0.04 0.61 -1.72 0.00 0.00 179.24 178.07 2vkt n GLY 506 N -0.86 0.54 0.02 2.75 0.00 -0.85 -4.94 105.19 101.85 2vkt n GLY 506 Ca -0.02 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.24 2vkt n GLY 506 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vkt n ASP 507 N 1.43 0.08 -4.14 1.61 10.43 -1.26 -4.92 116.55 119.77 2vkt n ASP 507 Ca -0.02 0.03 -0.33 0.00 2.57 0.00 0.00 54.79 57.04 2vkt n ASP 507 Cb 0.07 1.84 -0.15 0.00 1.84 0.00 0.00 41.12 44.72 2vkt n ASP 507 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2vkt s ARG 508 N -3.49 2.85 -0.15 -1.24 0.52 -1.26 -4.79 118.95 111.40 2vkt s ARG 508 Ca -0.07 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 53.91 2vkt s ARG 508 Cb 0.13 -2.72 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 2vkt s ARG 508 CO 0.90 -0.31 1.20 -1.64 0.02 0.00 0.00 175.30 175.47 2vkt s MET 509 N 1.27 4.27 0.00 3.54 -1.94 -1.26 -1.84 119.30 123.34 2vkt s MET 509 Ca 0.02 1.60 0.00 0.00 -1.71 0.00 0.00 55.69 55.59 2vkt s MET 509 Cb -0.15 -3.68 0.00 0.00 2.01 0.00 0.00 34.83 33.01 2vkt s MET 509 CO -0.10 -0.61 0.18 0.39 -0.01 0.00 0.00 175.02 174.87 2vkt n GLU 510 N 6.16 2.85 -3.77 2.03 1.02 -0.28 -4.74 120.64 123.91 2vkt n GLU 510 Ca 0.13 -0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 2vkt n GLU 510 Cb 0.46 -0.63 -0.15 0.00 -0.02 0.00 0.00 31.44 31.10 2vkt n GLU 510 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2vkt s ILE 511 N -0.46 -0.04 0.08 -3.67 1.01 -1.20 -1.10 121.20 115.82 2vkt s ILE 511 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.87 2vkt s ILE 511 Cb 0.00 -0.17 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 2vkt s ILE 511 CO 0.00 0.06 -0.20 0.27 0.00 0.00 0.00 174.94 175.07 2vkt s ILE 512 N 0.89 1.62 0.02 2.92 -4.36 -0.41 -1.02 121.20 120.86 2vkt s ILE 512 Ca -0.07 -1.37 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 2vkt s ILE 512 Cb -0.09 -1.46 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 2vkt s ILE 512 CO -0.04 0.03 -0.04 -1.61 0.24 0.00 0.00 174.94 173.52 2vkt s GLU 513 N -1.58 0.31 -0.20 0.37 2.02 -0.63 -1.43 118.70 117.55 2vkt s GLU 513 Ca 0.06 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.58 2vkt s GLU 513 Cb -0.09 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 33.99 2vkt s GLU 513 CO 0.03 0.02 0.01 -1.17 0.02 0.00 0.00 175.26 174.17 2vkt s LEU 514 N -0.86 3.31 0.57 1.80 2.96 -1.00 -0.65 118.68 124.81 2vkt s LEU 514 Ca -0.07 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 2vkt s LEU 514 Cb -0.06 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2vkt s LEU 514 CO -0.00 0.06 1.04 0.00 -1.32 0.00 0.00 176.35 176.13 2vkt s ALA 515 N 1.00 2.82 -1.30 5.97 0.00 -0.67 -3.98 121.76 125.60 2vkt s ALA 515 Ca 0.02 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 2vkt s ALA 515 Cb -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2vkt s ALA 515 CO 0.02 -0.66 0.39 0.09 0.00 0.00 0.00 175.76 175.60 2vkt n ASN 516 N -1.88 -5.21 -3.77 0.00 3.02 -1.26 -4.93 115.26 101.23 2vkt n ASN 516 Ca 0.08 -0.19 -0.13 0.00 -0.03 0.00 0.00 54.58 54.32 2vkt n ASN 516 Cb 0.53 -4.11 -0.12 0.00 -0.61 0.00 0.00 39.78 35.47 2vkt n ASN 516 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2vkt s HIS 517 N -3.01 -0.27 0.41 3.10 2.46 -1.26 -5.06 115.29 111.66 2vkt s HIS 517 Ca 0.19 0.65 0.14 0.00 0.47 0.00 0.00 55.06 56.52 2vkt s HIS 517 Cb -0.08 0.06 1.00 0.00 -0.13 0.00 0.00 32.58 33.43 2vkt s HIS 517 CO 0.24 -0.16 1.89 -1.00 -2.47 0.00 0.00 174.74 173.24 2vkt h PRO 518 N 6.37 0.47 -0.33 2.88 0.13 -1.89 -3.41 132.00 136.22 2vkt h PRO 518 Ca -0.32 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 64.93 2vkt h PRO 518 Cb 1.18 -0.11 -0.18 0.00 0.13 0.00 0.00 31.00 32.02 2vkt h PRO 518 CO 0.37 0.31 -0.11 -0.47 -0.23 0.00 0.00 178.00 177.87 2vkt s TYR 519 N -5.48 -0.59 -0.33 1.56 5.04 -1.26 -5.02 117.35 111.26 2vkt s TYR 519 Ca -0.08 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.76 2vkt s TYR 519 Cb 0.22 0.11 0.10 0.00 0.35 0.00 0.00 41.96 42.74 2vkt s TYR 519 CO 0.78 -0.38 0.11 0.12 -1.34 0.00 0.00 175.55 174.84 2vkt s PHE 520 N 2.39 2.09 -0.04 4.97 5.36 -1.26 -0.82 117.98 130.68 2vkt s PHE 520 Ca 0.20 -2.03 0.06 0.00 -0.96 0.00 0.00 56.93 54.19 2vkt s PHE 520 Cb -0.00 -1.94 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 2vkt s PHE 520 CO -0.18 -0.88 -0.21 0.08 -1.46 0.00 0.00 175.22 172.57 2vkt s VAL 521 N 1.34 1.72 0.10 3.12 1.01 -0.63 -2.38 120.40 124.68 2vkt s VAL 521 Ca 0.11 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2vkt s VAL 521 Cb -0.18 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2vkt s VAL 521 CO -0.19 0.49 -0.21 -0.83 0.00 0.00 0.00 175.10 174.35 2vkt s GLY 522 N -0.26 1.25 -0.14 4.51 0.00 -0.52 -1.15 107.32 111.02 2vkt s GLY 522 Ca 0.02 -1.24 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 2vkt s GLY 522 CO 0.01 -1.23 0.32 0.14 0.00 0.00 0.00 173.10 172.34 2vkt s VAL 523 N -1.11 -0.17 0.08 1.40 1.01 0.45 -1.29 120.40 120.78 2vkt s VAL 523 Ca 0.07 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 2vkt s VAL 523 Cb -0.10 -0.49 -0.20 0.00 0.00 0.00 0.00 36.38 35.59 2vkt s VAL 523 CO 0.04 0.07 1.24 1.56 0.00 0.00 0.00 175.10 178.00 2vkt h GLN 524 N 7.48 0.73 -7.62 2.72 1.08 -1.40 1.22 115.11 119.33 2vkt h GLN 524 Ca -0.32 -0.70 -0.45 0.00 -1.45 0.00 0.00 58.65 55.72 2vkt h GLN 524 Cb 1.15 0.18 0.14 0.00 -0.05 0.00 0.00 27.48 28.90 2vkt h GLN 524 CO 0.28 1.29 0.35 -0.59 -0.95 0.00 0.00 178.83 179.21 2vkt s PHE 525 N -3.50 2.16 -0.72 2.96 -0.71 -1.26 -3.85 117.98 113.05 2vkt s PHE 525 Ca -0.10 0.63 -0.10 0.00 -1.04 0.00 0.00 56.93 56.32 2vkt s PHE 525 Cb 0.07 -3.65 0.19 0.00 -1.21 0.00 0.00 43.02 38.43 2vkt s PHE 525 CO 0.91 -2.44 0.61 -1.01 -1.34 0.00 0.00 175.22 171.95 2vkt s HIS 526 N -3.52 3.59 -0.88 3.49 3.76 -0.31 -4.25 115.29 117.17 2vkt s HIS 526 Ca 0.67 -2.22 0.15 0.00 -0.15 0.00 0.00 55.06 53.51 2vkt s HIS 526 Cb -0.10 -3.57 0.65 0.00 1.11 0.00 0.00 32.58 30.67 2vkt s HIS 526 CO 0.52 -0.94 1.48 -0.35 -0.85 0.00 0.00 174.74 174.60 2vkt n PRO 527 N 3.91 0.04 0.14 8.40 -0.04 -1.26 -2.98 135.00 143.21 2vkt n PRO 527 Ca 0.09 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2vkt n PRO 527 Cb 0.43 -1.58 0.59 0.00 -0.04 0.00 0.00 33.50 32.89 2vkt n PRO 527 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2vkt h GLU 528 N 0.00 0.15 0.00 0.54 3.07 -1.92 -3.18 114.58 113.24 2vkt h GLU 528 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2vkt h GLU 528 Cb 0.25 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2vkt h GLU 528 CO 0.00 0.10 0.00 1.19 -1.40 0.00 0.00 179.01 178.90 2vkt n PHE 529 N -4.50 0.00 -1.39 4.33 3.72 -1.16 -1.50 117.46 116.97 2vkt n PHE 529 Ca 0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2vkt n PHE 529 Cb 0.18 -0.25 0.09 0.00 -0.94 0.00 0.00 39.48 38.55 2vkt n PHE 529 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2vkt n SER 530 N -1.25 1.47 -4.75 4.37 3.41 -1.20 -5.03 113.62 110.63 2vkt n SER 530 Ca 0.10 -2.65 -0.40 0.00 -0.26 0.00 0.00 58.87 55.65 2vkt n SER 530 Cb 0.14 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 2vkt n SER 530 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2vkt s SER 531 N -2.13 7.51 0.06 4.04 0.15 -0.56 -4.65 113.70 118.12 2vkt s SER 531 Ca 0.19 2.06 -0.05 0.00 0.70 0.00 0.00 55.95 58.86 2vkt s SER 531 Cb 0.17 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 2vkt s SER 531 CO 0.02 0.04 0.09 0.00 1.20 0.00 0.00 173.24 174.59 2vkt s ARG 532 N -1.24 0.70 0.40 5.44 1.70 -0.59 -4.89 118.95 120.47 2vkt s ARG 532 Ca 0.42 -1.02 0.10 0.00 -0.47 0.00 0.00 55.73 54.76 2vkt s ARG 532 Cb -0.28 0.27 0.88 0.00 -0.57 0.00 0.00 34.95 35.25 2vkt s ARG 532 CO 0.35 -0.18 1.96 -1.35 -1.08 0.00 0.00 175.30 175.01 2vkt h PRO 533 N 3.08 0.57 -0.02 3.89 0.11 -1.95 -0.69 132.00 136.99 2vkt h PRO 533 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2vkt h PRO 533 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2vkt h PRO 533 CO 0.59 0.38 -0.22 -1.33 -0.21 0.00 0.00 178.00 177.21 2vkt n MET 534 N -4.48 1.39 -3.28 1.05 2.81 -1.26 -4.52 117.12 108.83 2vkt n MET 534 Ca 0.10 -1.00 -0.19 0.00 -1.81 0.00 0.00 57.70 54.80 2vkt n MET 534 Cb 0.30 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.26 2vkt n MET 534 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2vkt s LYS 535 N -2.30 0.80 0.35 0.03 2.20 -0.32 -5.14 119.74 115.36 2vkt s LYS 535 Ca 0.26 -1.39 -0.28 0.00 -0.36 0.00 0.00 55.97 54.21 2vkt s LYS 535 Cb 0.19 -0.91 -0.10 0.00 -1.51 0.00 0.00 37.83 35.51 2vkt s LYS 535 CO 0.46 -1.29 1.28 -2.14 -0.36 0.00 0.00 175.35 173.29 2vkt s PRO 536 N 0.81 4.25 -0.31 4.03 0.02 -0.86 -1.54 135.00 141.40 2vkt s PRO 536 Ca 0.25 2.14 -0.39 0.00 0.02 0.00 0.00 61.00 63.01 2vkt s PRO 536 Cb -0.07 -2.96 -0.15 0.00 0.02 0.00 0.00 34.50 31.34 2vkt s PRO 536 CO -0.09 -0.25 1.88 0.45 -0.33 0.00 0.00 177.00 178.66 2vkt n SER 537 N 0.58 2.22 -0.28 2.53 2.88 -1.26 -4.77 113.62 115.53 2vkt n SER 537 Ca 0.01 0.90 0.05 0.00 -1.33 0.00 0.00 58.87 58.50 2vkt n SER 537 Cb 0.43 -1.15 0.19 0.00 -0.75 0.00 0.00 64.21 62.93 2vkt n SER 537 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2vkt h PRO 538 N 8.53 0.59 -0.82 -1.46 0.11 -1.89 -0.44 132.00 136.62 2vkt h PRO 538 Ca -0.39 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.79 2vkt h PRO 538 Cb 1.33 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2vkt h PRO 538 CO 0.99 0.39 0.53 -1.35 -0.21 0.00 0.00 178.00 178.35 2vkt h PRO 539 N 0.61 0.70 -0.01 1.05 0.11 -1.95 0.19 132.00 132.70 2vkt h PRO 539 Ca 0.42 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.28 2vkt h PRO 539 Cb 0.56 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 2vkt h PRO 539 CO -0.34 0.46 -0.91 1.88 -0.21 0.00 0.00 178.00 178.89 2vkt h TYR 540 N 0.72 0.54 -0.38 0.65 -1.99 -1.69 -2.72 116.97 112.10 2vkt h TYR 540 Ca 0.38 -0.29 -0.16 0.00 2.00 0.00 0.00 58.73 60.66 2vkt h TYR 540 Cb 0.51 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 2vkt h TYR 540 CO -0.00 1.10 -0.39 1.25 -0.00 0.00 0.00 178.16 180.12 2vkt h LEU 541 N 0.21 0.99 -0.34 3.88 5.85 -0.30 -2.35 115.31 123.25 2vkt h LEU 541 Ca -0.07 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.22 2vkt h LEU 541 Cb 1.54 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 2vkt h LEU 541 CO 0.15 1.25 0.16 1.23 -0.34 0.00 0.00 178.44 180.90 2vkt h GLY 542 N 0.79 0.45 0.17 3.75 0.00 -0.71 0.10 103.07 107.62 2vkt h GLY 542 Ca 0.06 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.33 2vkt h GLY 542 CO 0.10 0.08 -0.32 -2.00 0.00 0.00 0.00 176.54 174.40 2vkt h LEU 543 N 0.33 -0.98 -0.76 3.11 5.85 -1.29 -0.43 115.31 121.14 2vkt h LEU 543 Ca 0.14 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 2vkt h LEU 543 Cb 0.07 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2vkt h LEU 543 CO -0.11 -0.36 0.20 -0.07 -0.34 0.00 0.00 178.44 177.76 2vkt h LEU 544 N -0.40 1.07 -0.17 2.25 4.07 -1.24 0.27 115.31 121.16 2vkt h LEU 544 Ca 0.09 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.85 2vkt h LEU 544 Cb 0.54 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 2vkt h LEU 544 CO -0.35 1.01 0.07 -0.07 -1.08 0.00 0.00 178.44 178.02 2vkt h LEU 545 N 1.08 0.08 -0.85 1.67 3.38 -0.66 -2.59 115.31 117.43 2vkt h LEU 545 Ca 0.23 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2vkt h LEU 545 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2vkt h LEU 545 CO -0.00 0.07 0.13 0.00 0.09 0.00 0.00 178.44 178.73 2vkt h ALA 546 N 1.10 1.05 0.00 1.53 0.00 -0.91 -0.74 119.26 121.30 2vkt h ALA 546 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2vkt h ALA 546 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2vkt h ALA 546 CO -0.07 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 2vkt h ALA 547 N 1.20 1.06 -0.07 0.00 0.00 -0.58 -2.43 119.26 118.43 2vkt h ALA 547 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2vkt h ALA 547 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2vkt h ALA 547 CO 0.00 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.54 2vkt n THR 548 N -3.21 0.18 -0.91 0.00 -2.24 -1.01 -4.75 114.28 102.34 2vkt n THR 548 Ca -0.01 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2vkt n THR 548 Cb 0.20 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2vkt n THR 548 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vkt n GLY 549 N 0.55 0.59 1.17 3.38 0.00 -0.89 -4.94 105.19 105.05 2vkt n GLY 549 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2vkt n GLY 549 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vkt n ASN 550 N 0.00 3.42 0.01 1.61 3.02 -0.33 -4.66 115.26 118.33 2vkt n ASN 550 Ca 0.00 -2.22 -0.13 0.00 -0.03 0.00 0.00 54.58 52.20 2vkt n ASN 550 Cb 0.00 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.63 2vkt n ASN 550 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2vkt h LEU 551 N 3.09 -0.02 0.27 3.41 5.85 -1.89 -3.10 115.31 122.92 2vkt h LEU 551 Ca 0.00 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2vkt h LEU 551 Cb 1.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2vkt h LEU 551 CO 0.12 0.32 -0.33 0.78 -0.34 0.00 0.00 178.44 178.99 2vkt h ASN 552 N -0.35 -0.93 -1.47 1.25 2.35 -1.94 -2.47 115.58 112.02 2vkt h ASN 552 Ca -0.00 0.08 0.46 0.00 -0.55 0.00 0.00 56.30 56.29 2vkt h ASN 552 Cb 0.34 0.32 -0.10 0.00 0.05 0.00 0.00 38.32 38.93 2vkt h ASN 552 CO 0.00 -0.42 1.01 0.00 -1.65 0.00 0.00 177.43 176.38 2vkt n ALA 553 N -2.65 1.43 1.13 -0.83 0.00 -1.24 -5.25 120.51 113.09 2vkt n ALA 553 Ca -0.07 0.66 0.13 0.00 0.00 0.00 0.00 53.44 54.16 2vkt n ALA 553 Cb 0.29 -0.96 0.21 0.00 0.00 0.00 0.00 19.45 18.99 2vkt n ALA 553 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48