#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qmc s THR 381 N 0.00 0.05 -0.06 0.00 -1.32 -0.32 -4.66 115.64 109.34 2qmc s THR 381 Ca 0.00 -0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.08 2qmc s THR 381 Cb 0.00 -0.46 -0.02 0.00 -1.51 0.00 0.00 72.50 70.51 2qmc s THR 381 CO 0.00 -0.25 -0.18 -2.28 -2.21 0.00 0.00 174.62 169.71 2qmc s HIS 382 N -0.97 2.61 0.04 9.09 5.04 -1.26 -1.86 115.29 127.99 2qmc s HIS 382 Ca -0.10 -0.35 0.01 0.00 -1.54 0.00 0.00 55.06 53.08 2qmc s HIS 382 Cb -0.05 -1.63 -0.03 0.00 0.04 0.00 0.00 32.58 30.91 2qmc s HIS 382 CO 0.02 0.04 -0.06 1.52 -2.34 0.00 0.00 174.74 173.92 2qmc s TYR 383 N -0.50 0.57 -0.03 3.88 1.13 0.18 -4.57 117.35 118.01 2qmc s TYR 383 Ca 0.06 -0.60 0.03 0.00 -1.41 0.00 0.00 57.07 55.15 2qmc s TYR 383 Cb -0.12 -0.35 0.00 0.00 -1.10 0.00 0.00 41.96 40.39 2qmc s TYR 383 CO 0.01 -0.14 -0.09 -1.12 -2.51 0.00 0.00 175.55 171.69 2qmc s SER 384 N -1.82 1.25 -0.01 -0.18 0.01 -1.26 -0.85 113.70 110.85 2qmc s SER 384 Ca -0.08 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.00 2qmc s SER 384 Cb -0.07 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2qmc s SER 384 CO -0.01 0.07 -0.04 -0.69 0.41 0.00 0.00 173.24 172.98 2qmc s VAL 385 N 0.17 0.31 -0.03 3.43 1.01 -0.01 -4.95 120.40 120.33 2qmc s VAL 385 Ca -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2qmc s VAL 385 Cb -0.08 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.04 2qmc s VAL 385 CO 0.01 0.10 0.07 0.00 0.00 0.00 0.00 175.10 175.27 2qmc s ALA 386 N 0.06 -0.07 0.55 5.51 0.00 -1.26 -0.79 121.76 125.75 2qmc s ALA 386 Ca -0.00 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.37 2qmc s ALA 386 Cb -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2qmc s ALA 386 CO -0.00 -0.10 0.37 0.16 0.00 0.00 0.00 175.76 176.19 2qmc s ASP 387 N 0.80 4.58 0.26 0.00 1.47 -0.77 -5.03 116.67 117.97 2qmc s ASP 387 Ca -0.06 -1.30 0.25 0.00 1.18 0.00 0.00 52.55 52.62 2qmc s ASP 387 Cb -0.09 0.48 0.91 0.00 -0.34 0.00 0.00 42.92 43.88 2qmc s ASP 387 CO -0.03 -1.11 1.75 0.08 0.68 0.00 0.00 175.17 176.54 2qmc h ARG 388 N 0.78 0.00 -0.01 2.11 0.11 -2.02 -3.19 114.38 112.15 2qmc h ARG 388 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 2qmc h ARG 388 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2qmc h ARG 388 CO 0.58 0.00 -0.29 0.91 0.10 0.00 0.00 179.97 181.27 2qmc n TRP 389 N -2.31 0.00 0.00 4.08 8.01 -1.26 -4.94 117.44 121.02 2qmc n TRP 389 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 2qmc n TRP 389 Cb 0.32 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.55 2qmc n TRP 389 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qmc n GLY 390 N 1.35 0.75 3.77 6.99 0.00 -1.21 -5.08 105.19 111.77 2qmc n GLY 390 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2qmc n GLY 390 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qmc s ASN 391 N -2.36 7.44 0.00 1.61 0.01 -1.26 -4.77 114.94 115.61 2qmc s ASN 391 Ca 0.00 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 2qmc s ASN 391 Cb 0.00 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 2qmc s ASN 391 CO 0.00 0.02 -0.02 0.00 -1.51 0.00 0.00 177.10 175.59 2qmc s ALA 392 N -1.45 0.15 -0.07 0.60 0.00 -1.26 -1.85 121.76 117.87 2qmc s ALA 392 Ca 0.46 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2qmc s ALA 392 Cb -0.21 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2qmc s ALA 392 CO 0.27 0.01 -0.06 0.08 0.00 0.00 0.00 175.76 176.06 2qmc s VAL 393 N -0.23 0.74 -0.21 0.00 1.01 0.03 -5.01 120.40 116.72 2qmc s VAL 393 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2qmc s VAL 393 Cb -0.02 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.64 2qmc s VAL 393 CO -0.00 0.29 -0.13 -0.55 0.00 0.00 0.00 175.10 174.71 2qmc s SER 394 N 1.21 3.66 -0.15 3.32 0.15 -1.26 -0.83 113.70 119.80 2qmc s SER 394 Ca -0.06 -0.99 0.02 0.00 0.70 0.00 0.00 55.95 55.63 2qmc s SER 394 Cb -0.14 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.78 2qmc s SER 394 CO -0.02 -0.12 -0.22 -0.69 1.20 0.00 0.00 173.24 173.40 2qmc s VAL 395 N 1.27 2.06 -0.13 4.45 1.01 -0.03 -4.76 120.40 124.27 2qmc s VAL 395 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2qmc s VAL 395 Cb -0.17 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2qmc s VAL 395 CO -0.08 0.55 -0.16 -0.89 0.00 0.00 0.00 175.10 174.51 2qmc s THR 396 N 0.92 2.74 0.14 3.92 2.01 -1.26 -0.65 115.64 123.46 2qmc s THR 396 Ca -0.04 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 2qmc s THR 396 Cb -0.15 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 2qmc s THR 396 CO -0.04 0.53 0.22 -0.72 -0.69 0.00 0.00 174.62 173.91 2qmc s TYR 397 N 0.43 0.44 0.02 4.92 1.13 -0.78 -4.99 117.35 118.52 2qmc s TYR 397 Ca -0.12 -0.82 -0.27 0.00 -1.41 0.00 0.00 57.07 54.44 2qmc s TYR 397 Cb -0.16 -0.14 0.09 0.00 -1.10 0.00 0.00 41.96 40.65 2qmc s TYR 397 CO 0.05 -0.64 0.80 -0.08 -2.51 0.00 0.00 175.55 173.18 2qmc s THR 398 N -3.96 0.00 -0.60 -3.49 -1.32 -1.26 -1.17 115.64 103.84 2qmc s THR 398 Ca 0.16 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.77 2qmc s THR 398 Cb 0.04 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.42 2qmc s THR 398 CO -0.02 0.00 1.32 2.30 -2.21 0.00 0.00 174.62 176.01 2qmc n ILE 399 N -0.08 1.53 0.00 5.08 -5.35 -1.26 -4.93 119.36 114.35 2qmc n ILE 399 Ca -0.12 -1.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.99 2qmc n ILE 399 Cb 0.62 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 2qmc n ILE 399 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qmc n ASN 400 N 0.06 0.00 -4.52 7.28 5.15 -1.26 -1.26 115.26 120.72 2qmc n ASN 400 Ca 0.15 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.85 2qmc n ASN 400 Cb 0.61 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 40.11 2qmc n ASN 400 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qmc s ALA 401 N -1.15 -0.28 0.01 5.20 0.00 -1.26 -3.38 121.76 120.89 2qmc s ALA 401 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.49 2qmc s ALA 401 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 2qmc s ALA 401 CO 0.00 -3.72 1.98 0.45 0.00 0.00 0.00 175.76 174.47 2qmc n SER 402 N -4.82 4.02 -0.76 0.00 2.88 -1.26 -0.38 113.62 113.30 2qmc n SER 402 Ca 0.03 0.88 -0.10 0.00 -1.33 0.00 0.00 58.87 58.35 2qmc n SER 402 Cb 0.55 -1.50 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 2qmc n SER 402 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2qmc n TYR 403 N 7.60 0.00 -0.99 0.66 4.01 -1.26 -4.81 117.16 122.37 2qmc n TYR 403 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2qmc n TYR 403 Cb 0.39 -2.09 0.00 0.00 -0.31 0.00 0.00 39.34 37.33 2qmc n TYR 403 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qmc n GLY 404 N -1.18 3.36 0.00 2.72 0.00 0.49 -1.33 105.19 109.26 2qmc n GLY 404 Ca -0.10 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.85 2qmc n GLY 404 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qmc n SER 405 N 4.29 0.00 0.00 1.61 3.41 -0.21 -4.50 113.62 118.23 2qmc n SER 405 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2qmc n SER 405 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2qmc n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qmc n ALA 406 N -1.31 0.00 -2.79 7.33 0.00 -0.44 -4.99 120.51 118.31 2qmc n ALA 406 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 2qmc n ALA 406 Cb 0.18 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.16 2qmc n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmc s ALA 407 N -2.70 3.41 0.20 0.00 0.00 -1.26 -4.99 121.76 116.42 2qmc s ALA 407 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.27 2qmc s ALA 407 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2qmc s ALA 407 CO 0.00 0.43 0.13 -1.12 0.00 0.00 0.00 175.76 175.20 2qmc s SER 408 N -0.40 5.34 -0.36 0.00 0.01 -1.26 -0.40 113.70 116.63 2qmc s SER 408 Ca 0.09 -0.25 -0.28 0.00 1.31 0.00 0.00 55.95 56.82 2qmc s SER 408 Cb -0.12 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.80 2qmc s SER 408 CO 0.02 0.03 1.06 -0.63 0.41 0.00 0.00 173.24 174.13 2qmc s ILE 409 N -1.92 4.46 0.17 1.44 -1.09 -0.43 -4.90 121.20 118.93 2qmc s ILE 409 Ca 0.31 1.52 -0.32 0.00 -2.23 0.00 0.00 60.65 59.94 2qmc s ILE 409 Cb -0.09 -4.44 -0.11 0.00 -1.58 0.00 0.00 42.46 36.24 2qmc s ILE 409 CO 0.23 -0.60 1.65 -0.62 -1.23 0.00 0.00 174.94 174.37 2qmc s ASP 410 N 1.87 6.49 0.00 3.58 2.15 -1.26 -1.43 116.67 128.07 2qmc s ASP 410 Ca 0.44 2.72 0.00 0.00 0.43 0.00 0.00 52.55 56.14 2qmc s ASP 410 Cb -0.11 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2qmc s ASP 410 CO 0.19 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 2qmc n GLY 411 N 3.90 2.70 0.00 2.66 0.00 -1.26 -4.85 105.19 108.34 2qmc n GLY 411 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2qmc n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qmc n ALA 412 N -1.37 2.58 -1.11 4.61 0.00 -0.51 -5.03 120.51 119.67 2qmc n ALA 412 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2qmc n ALA 412 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 2qmc n ALA 412 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qmc n GLY 413 N 1.56 0.64 3.31 0.00 0.00 -1.05 -5.00 105.19 104.65 2qmc n GLY 413 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 2qmc n GLY 413 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qmc s PHE 414 N -1.97 1.84 0.19 1.61 -0.12 -1.26 -4.99 117.98 113.27 2qmc s PHE 414 Ca 0.00 -0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 56.15 2qmc s PHE 414 Cb 0.00 -0.97 -0.08 0.00 -0.63 0.00 0.00 43.02 41.34 2qmc s PHE 414 CO 0.00 0.27 0.98 -0.51 -0.05 0.00 0.00 175.22 175.90 2qmc s LEU 415 N -2.22 4.57 0.15 -1.99 1.43 -1.26 -1.31 118.68 118.05 2qmc s LEU 415 Ca 0.11 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 54.86 2qmc s LEU 415 Cb -0.08 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 2qmc s LEU 415 CO 0.05 0.02 0.87 -0.76 0.23 0.00 0.00 176.35 176.77 2qmc s LEU 416 N -0.68 4.56 0.82 1.79 1.43 0.47 -4.94 118.68 122.13 2qmc s LEU 416 Ca 0.44 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.15 2qmc s LEU 416 Cb -0.26 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.58 2qmc s LEU 416 CO 0.32 0.08 1.07 -0.46 0.23 0.00 0.00 176.35 177.59 2qmc n ASN 417 N 2.12 0.51 -2.35 2.29 0.23 -1.26 -1.04 115.26 115.77 2qmc n ASN 417 Ca -0.02 0.55 -0.29 0.00 -0.53 0.00 0.00 54.58 54.30 2qmc n ASN 417 Cb 0.49 -1.46 0.02 0.00 -2.08 0.00 0.00 39.78 36.75 2qmc n ASN 417 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2qmc n ASN 418 N -2.92 5.51 0.18 0.53 6.94 -0.39 -4.03 115.26 121.07 2qmc n ASN 418 Ca 0.13 -3.75 0.14 0.00 -0.02 0.00 0.00 54.58 51.07 2qmc n ASN 418 Cb 0.51 -0.56 0.58 0.00 -2.36 0.00 0.00 39.78 37.96 2qmc n ASN 418 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2qmc h GLU 419 N 2.42 0.00 0.00 -3.83 4.57 -1.94 -2.61 114.58 113.19 2qmc h GLU 419 Ca 0.40 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.57 2qmc h GLU 419 Cb 1.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2qmc h GLU 419 CO 0.98 0.00 -0.04 0.52 -1.18 0.00 0.00 179.01 179.29 2qmc h MET 420 N 0.00 0.00 0.00 1.92 2.86 -1.97 -0.95 114.93 116.80 2qmc h MET 420 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qmc h MET 420 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2qmc h MET 420 CO 0.00 0.04 0.00 -3.47 1.06 0.00 0.00 176.91 174.54 2qmc n ASP 421 N -3.66 0.08 0.02 1.22 2.03 -0.98 -1.93 116.55 113.32 2qmc n ASP 421 Ca -0.02 0.52 0.14 0.00 0.52 0.00 0.00 54.79 55.94 2qmc n ASP 421 Cb 0.14 -0.54 0.57 0.00 -0.72 0.00 0.00 41.12 40.58 2qmc n ASP 421 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2qmc n ASP 422 N -1.59 0.14 -4.80 1.67 9.92 -0.36 -4.68 116.55 116.86 2qmc n ASP 422 Ca 0.04 0.49 -0.30 0.00 -0.53 0.00 0.00 54.79 54.48 2qmc n ASP 422 Cb 0.19 -0.52 0.09 0.00 -0.64 0.00 0.00 41.12 40.24 2qmc n ASP 422 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2qmc s PHE 423 N -3.02 2.80 -0.28 1.24 0.08 -0.82 -3.80 117.98 114.19 2qmc s PHE 423 Ca 0.13 1.21 -0.26 0.00 0.12 0.00 0.00 56.93 58.13 2qmc s PHE 423 Cb 0.18 -3.10 0.01 0.00 -0.57 0.00 0.00 43.02 39.54 2qmc s PHE 423 CO 0.55 -1.78 0.93 0.45 -0.10 0.00 0.00 175.22 175.27 2qmc s SER 424 N -3.82 6.87 0.03 1.36 0.15 0.13 -4.92 113.70 113.49 2qmc s SER 424 Ca 0.61 1.01 0.26 0.00 0.70 0.00 0.00 55.95 58.53 2qmc s SER 424 Cb -0.15 -2.48 0.76 0.00 -1.71 0.00 0.00 66.02 62.44 2qmc s SER 424 CO 0.55 -0.67 1.60 2.30 1.20 0.00 0.00 173.24 178.22 2qmc n ILE 425 N 5.51 0.09 -3.62 6.45 -5.35 -1.26 -4.01 119.36 117.16 2qmc n ILE 425 Ca 0.08 -0.05 -0.02 0.00 -0.27 0.00 0.00 62.75 62.49 2qmc n ILE 425 Cb 0.47 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.20 2qmc n ILE 425 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2qmc s LYS 426 N -3.03 0.35 -0.02 6.28 2.20 -1.26 -5.01 119.74 119.25 2qmc s LYS 426 Ca 0.11 0.63 -0.36 0.00 -0.36 0.00 0.00 55.97 55.99 2qmc s LYS 426 Cb 0.17 0.10 -0.15 0.00 -1.51 0.00 0.00 37.83 36.45 2qmc s LYS 426 CO 0.64 -0.08 1.60 -2.30 -0.36 0.00 0.00 175.35 174.85 2qmc n PRO 427 N 3.78 1.59 -0.61 4.03 -0.02 -1.26 -1.10 135.00 141.42 2qmc n PRO 427 Ca -0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2qmc n PRO 427 Cb 0.57 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2qmc n PRO 427 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qmc n GLY 428 N 3.52 1.45 3.69 -1.23 0.00 -0.69 -5.01 105.19 106.92 2qmc n GLY 428 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2qmc n GLY 428 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qmc s ASN 429 N -3.23 7.07 0.13 1.61 2.47 -0.26 -4.91 114.94 117.82 2qmc s ASN 429 Ca 0.00 1.79 -0.29 0.00 0.42 0.00 0.00 52.86 54.78 2qmc s ASN 429 Cb 0.00 -2.56 -0.06 0.00 -1.45 0.00 0.00 41.25 37.18 2qmc s ASN 429 CO 0.00 -0.57 0.92 -2.16 -3.72 0.00 0.00 177.10 171.57 2qmc s PRO 430 N 2.17 4.69 0.00 0.43 0.04 -1.26 -4.51 135.00 136.57 2qmc s PRO 430 Ca 0.55 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2qmc s PRO 430 Cb -0.24 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2qmc s PRO 430 CO 0.22 0.29 0.00 0.27 0.04 0.00 0.00 177.00 177.82 2qmc n ASN 431 N 2.52 0.00 0.30 6.66 6.94 -0.07 -4.80 115.26 126.81 2qmc n ASN 431 Ca 0.01 -0.65 0.19 0.00 -0.02 0.00 0.00 54.58 54.11 2qmc n ASN 431 Cb 0.49 0.00 1.01 0.00 -2.36 0.00 0.00 39.78 38.92 2qmc n ASN 431 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2qmc h LEU 432 N 0.00 0.00 -2.86 -4.53 3.38 -1.90 -0.49 115.31 108.90 2qmc h LEU 432 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qmc h LEU 432 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qmc h LEU 432 CO 0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 2qmc n TYR 433 N -3.31 0.74 -1.03 1.13 4.01 -1.26 -4.94 117.16 112.49 2qmc n TYR 433 Ca -0.02 -0.52 -0.01 0.00 -0.16 0.00 0.00 57.90 57.19 2qmc n TYR 433 Cb 0.19 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2qmc n TYR 433 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qmc n GLY 434 N 0.95 0.49 3.81 2.72 0.00 -0.19 -4.73 105.19 108.23 2qmc n GLY 434 Ca 0.18 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2qmc n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qmc s LEU 435 N -0.23 4.37 0.29 0.99 1.43 -1.26 -4.65 118.68 119.62 2qmc s LEU 435 Ca 0.00 1.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.65 2qmc s LEU 435 Cb 0.00 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 2qmc s LEU 435 CO 0.00 0.04 -0.07 0.68 0.23 0.00 0.00 176.35 177.23 2qmc s VAL 436 N -1.49 1.78 0.00 -1.59 -7.23 -1.26 -0.89 120.40 109.71 2qmc s VAL 436 Ca 0.43 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2qmc s VAL 436 Cb -0.18 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2qmc s VAL 436 CO 0.22 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 2qmc n GLY 437 N -0.62 2.16 0.00 2.32 0.00 -1.26 -4.99 105.19 102.79 2qmc n GLY 437 Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2qmc n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmc n GLY 438 N 0.00 3.73 0.26 -0.02 0.00 -1.26 -1.70 105.19 106.19 2qmc n GLY 438 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2qmc n GLY 438 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qmc h ASP 439 N 0.00 0.99 -0.97 1.61 3.32 -1.98 -2.94 116.42 116.45 2qmc h ASP 439 Ca 0.00 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.59 2qmc h ASP 439 Cb 0.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 2qmc h ASP 439 CO 0.00 1.29 0.64 0.00 -1.72 0.00 0.00 179.24 179.45 2qmc h ALA 440 N 0.74 1.35 -0.39 3.45 0.00 -2.01 -2.35 119.26 120.05 2qmc h ALA 440 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2qmc h ALA 440 Cb 1.07 -0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2qmc h ALA 440 CO 0.11 0.57 0.02 -1.71 0.00 0.00 0.00 179.25 178.23 2qmc n ASN 441 N -4.42 3.10 -4.79 0.00 5.15 -1.24 -5.00 115.26 108.05 2qmc n ASN 441 Ca 0.13 -3.50 -0.33 0.00 -0.60 0.00 0.00 54.58 50.28 2qmc n ASN 441 Cb 0.07 -0.63 0.03 0.00 -0.53 0.00 0.00 39.78 38.72 2qmc n ASN 441 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qmc s ALA 442 N -3.11 2.62 0.26 5.20 0.00 -0.89 -0.70 121.76 125.15 2qmc s ALA 442 Ca 0.45 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 2qmc s ALA 442 Cb 0.39 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 2qmc s ALA 442 CO 0.04 -1.02 1.17 0.42 0.00 0.00 0.00 175.76 176.38 2qmc s ILE 443 N -2.41 3.33 0.02 0.00 1.01 -1.26 -4.88 121.20 117.02 2qmc s ILE 443 Ca 0.65 1.27 -0.11 0.00 0.00 0.00 0.00 60.65 62.46 2qmc s ILE 443 Cb -0.18 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.49 2qmc s ILE 443 CO 0.39 0.28 0.22 -0.70 0.00 0.00 0.00 174.94 175.13 2qmc s GLU 444 N -1.17 0.64 0.24 2.79 2.12 -1.26 -5.09 118.70 116.97 2qmc s GLU 444 Ca 0.48 -0.44 -0.31 0.00 0.36 0.00 0.00 54.97 55.06 2qmc s GLU 444 Cb -0.34 0.27 -0.13 0.00 0.26 0.00 0.00 34.13 34.19 2qmc s GLU 444 CO 0.42 -0.18 1.38 0.00 -0.54 0.00 0.00 175.26 176.35 2qmc n ALA 445 N 1.03 1.00 -0.28 6.30 0.00 -1.26 -1.85 120.51 125.45 2qmc n ALA 445 Ca -0.21 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2qmc n ALA 445 Cb 0.57 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2qmc n ALA 445 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qmc n ASN 446 N 2.06 0.00 -4.79 0.00 5.03 -1.26 -5.00 115.26 111.30 2qmc n ASN 446 Ca 0.11 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.21 2qmc n ASN 446 Cb 0.31 -0.76 -0.03 0.00 -1.02 0.00 0.00 39.78 38.28 2qmc n ASN 446 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2qmc s LYS 447 N -0.14 3.96 -0.19 3.52 2.20 -0.77 -5.03 119.74 123.29 2qmc s LYS 447 Ca 0.00 1.49 -0.15 0.00 -0.36 0.00 0.00 55.97 56.95 2qmc s LYS 447 Cb 0.00 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 2qmc s LYS 447 CO 0.00 -0.32 0.36 1.03 -0.36 0.00 0.00 175.35 176.06 2qmc s ARG 448 N -2.81 4.20 0.39 4.03 0.52 -1.26 -4.88 118.95 119.14 2qmc s ARG 448 Ca 0.62 0.15 -0.27 0.00 -0.52 0.00 0.00 55.73 55.72 2qmc s ARG 448 Cb -0.21 -3.50 -0.09 0.00 0.52 0.00 0.00 34.95 31.67 2qmc s ARG 448 CO 0.26 0.06 1.30 -1.25 0.02 0.00 0.00 175.30 175.69 2qmc s PRO 449 N 0.99 4.07 0.24 3.54 0.04 -1.26 -4.92 135.00 137.70 2qmc s PRO 449 Ca 0.18 2.17 -0.31 0.00 0.04 0.00 0.00 61.00 63.08 2qmc s PRO 449 Cb -0.14 -2.83 -0.12 0.00 0.04 0.00 0.00 34.50 31.44 2qmc s PRO 449 CO 0.07 -0.42 1.59 -0.11 0.04 0.00 0.00 177.00 178.17 2qmc n LEU 450 N 0.29 3.83 -4.77 -3.56 7.94 -1.25 -4.92 117.00 114.57 2qmc n LEU 450 Ca 0.03 1.11 -0.23 0.00 -1.11 0.00 0.00 56.01 55.82 2qmc n LEU 450 Cb 0.43 -1.53 -0.06 0.00 0.53 0.00 0.00 43.42 42.79 2qmc n LEU 450 CO 0.57 -0.03 -0.17 -0.55 -1.11 0.00 0.00 177.39 176.10 2qmc s SER 451 N 0.70 4.86 0.00 1.96 0.15 -1.26 -4.71 113.70 115.39 2qmc s SER 451 Ca 0.70 -0.69 0.16 0.00 0.70 0.00 0.00 55.95 56.82 2qmc s SER 451 Cb -0.56 -0.80 0.04 0.00 -1.71 0.00 0.00 66.02 62.99 2qmc s SER 451 CO 0.43 -0.31 0.89 -1.20 1.20 0.00 0.00 173.24 174.25 2qmc n SER 452 N -1.21 1.84 -4.75 5.45 7.64 -1.26 -5.04 113.62 116.29 2qmc n SER 452 Ca -0.03 -1.42 -0.42 0.00 1.01 0.00 0.00 58.87 58.02 2qmc n SER 452 Cb 0.61 0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 64.10 2qmc n SER 452 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2qmc s MET 453 N -1.66 4.12 -0.43 1.43 -1.94 -1.26 -4.26 119.30 115.29 2qmc s MET 453 Ca 0.15 2.59 0.10 0.00 -1.71 0.00 0.00 55.69 56.82 2qmc s MET 453 Cb 0.13 -3.02 0.39 0.00 2.01 0.00 0.00 34.83 34.33 2qmc s MET 453 CO 0.32 -0.65 0.93 0.43 -0.01 0.00 0.00 175.02 176.04 2qmc n SER 454 N 2.31 2.80 -4.71 3.03 7.64 -1.26 -5.05 113.62 118.38 2qmc n SER 454 Ca 0.09 -3.28 -0.42 0.00 1.01 0.00 0.00 58.87 56.27 2qmc n SER 454 Cb 0.37 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 2qmc n SER 454 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qmc s PRO 455 N -3.12 4.13 0.02 1.43 0.04 -1.26 -4.59 135.00 131.65 2qmc s PRO 455 Ca 0.41 2.58 0.01 0.00 0.04 0.00 0.00 61.00 64.05 2qmc s PRO 455 Cb 0.37 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 2qmc s PRO 455 CO -0.09 -0.77 -0.05 0.99 0.04 0.00 0.00 177.00 177.12 2qmc s THR 456 N 1.68 0.35 -0.06 1.26 2.01 -0.11 -5.02 115.64 115.74 2qmc s THR 456 Ca 0.76 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2qmc s THR 456 Cb -0.48 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2qmc s THR 456 CO 0.33 -0.21 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.26 2qmc s ILE 457 N -0.86 1.40 -0.14 1.82 1.01 -1.26 -1.34 121.20 121.83 2qmc s ILE 457 Ca -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2qmc s ILE 457 Cb -0.06 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 2qmc s ILE 457 CO -0.00 0.41 -0.07 -0.69 0.00 0.00 0.00 174.94 174.59 2qmc s VAL 458 N 0.35 3.65 0.01 2.92 1.01 -0.12 -4.97 120.40 123.25 2qmc s VAL 458 Ca -0.11 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2qmc s VAL 458 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2qmc s VAL 458 CO 0.04 0.51 0.05 -0.76 0.00 0.00 0.00 175.10 174.94 2qmc s LEU 459 N 0.26 3.73 -0.13 3.92 1.43 -1.26 -0.80 118.68 125.82 2qmc s LEU 459 Ca -0.05 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2qmc s LEU 459 Cb -0.14 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.89 2qmc s LEU 459 CO 0.04 0.26 -0.12 -0.75 0.23 0.00 0.00 176.35 176.00 2qmc s LYS 460 N -1.80 2.03 -1.46 1.70 2.20 0.05 -4.72 119.74 117.73 2qmc s LYS 460 Ca 0.23 -0.46 -0.10 0.00 -0.36 0.00 0.00 55.97 55.27 2qmc s LYS 460 Cb -0.12 -1.87 0.05 0.00 -1.51 0.00 0.00 37.83 34.38 2qmc s LYS 460 CO 0.14 -0.20 0.86 0.09 -0.36 0.00 0.00 175.35 175.88 2qmc n ASN 461 N 4.65 -5.25 -0.91 1.43 4.13 -1.26 -1.36 115.26 116.70 2qmc n ASN 461 Ca -0.16 -0.56 -0.12 0.00 1.68 0.00 0.00 54.58 55.42 2qmc n ASN 461 Cb 0.50 -4.20 -0.05 0.00 -1.54 0.00 0.00 39.78 34.49 2qmc n ASN 461 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qmc n ASN 462 N -2.71 -4.94 -4.54 6.41 3.02 -1.26 -5.00 115.26 106.24 2qmc n ASN 462 Ca -0.01 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 2qmc n ASN 462 Cb 0.56 -3.48 -0.11 0.00 -0.61 0.00 0.00 39.78 36.14 2qmc n ASN 462 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qmc s LYS 463 N -2.88 2.09 0.18 3.52 1.02 -0.47 -5.07 119.74 118.14 2qmc s LYS 463 Ca 0.00 -1.02 -0.33 0.00 0.02 0.00 0.00 55.97 54.64 2qmc s LYS 463 Cb 0.00 -2.27 -0.13 0.00 -0.52 0.00 0.00 37.83 34.91 2qmc s LYS 463 CO 0.00 0.52 1.60 0.28 -0.92 0.00 0.00 175.35 176.83 2qmc n VAL 464 N 0.93 0.05 0.00 3.17 0.31 -1.26 -0.77 118.33 120.76 2qmc n VAL 464 Ca -0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2qmc n VAL 464 Cb 0.52 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2qmc n VAL 464 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2qmc n PHE 465 N 3.45 -0.01 -4.31 3.52 7.35 0.02 -4.54 117.46 122.93 2qmc n PHE 465 Ca 0.16 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.66 2qmc n PHE 465 Cb 0.30 0.04 -0.13 0.00 0.35 0.00 0.00 39.48 40.04 2qmc n PHE 465 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2qmc s LEU 466 N -6.00 2.18 -0.13 -2.13 1.43 -0.54 -1.11 118.68 112.37 2qmc s LEU 466 Ca 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2qmc s LEU 466 Cb 0.00 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.69 2qmc s LEU 466 CO 0.00 0.01 -0.11 -0.69 0.23 0.00 0.00 176.35 175.79 2qmc s VAL 467 N -0.89 1.33 -0.00 -1.59 1.01 0.15 -0.95 120.40 119.46 2qmc s VAL 467 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 2qmc s VAL 467 Cb -0.08 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2qmc s VAL 467 CO 0.01 0.42 0.34 0.54 0.00 0.00 0.00 175.10 176.41 2qmc s VAL 468 N 1.57 0.06 0.00 2.92 0.11 -0.45 -0.93 120.40 123.68 2qmc s VAL 468 Ca 0.05 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 2qmc s VAL 468 Cb -0.13 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2qmc s VAL 468 CO -0.09 -0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.02 2qmc n GLY 469 N 1.06 -0.25 3.51 6.54 0.00 -1.26 -0.93 105.19 113.85 2qmc n GLY 469 Ca -0.21 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 2qmc n GLY 469 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qmc s SER 470 N 0.00 -0.51 0.94 1.61 0.15 -1.26 -3.54 113.70 111.08 2qmc s SER 470 Ca 0.00 0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.87 2qmc s SER 470 Cb 0.00 0.46 0.20 0.00 -1.71 0.00 0.00 66.02 64.98 2qmc s SER 470 CO 0.00 -0.62 1.28 -2.16 1.20 0.00 0.00 173.24 172.94 2qmc s PRO 471 N -2.05 0.66 0.00 5.44 0.04 -1.26 -4.67 135.00 133.16 2qmc s PRO 471 Ca -0.03 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.38 2qmc s PRO 471 Cb -0.01 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2qmc s PRO 471 CO -0.00 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.10 2qmc n GLY 472 N -3.65 0.59 7.00 0.56 0.00 -1.26 -4.26 105.19 104.17 2qmc n GLY 472 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2qmc n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmc n GLY 473 N 0.00 3.50 0.33 -0.02 0.00 -1.26 -0.87 105.19 106.88 2qmc n GLY 473 Ca 0.00 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.15 2qmc n GLY 473 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qmc h SER 474 N 0.00 0.00 0.56 1.61 4.64 -1.96 -1.96 113.55 116.45 2qmc h SER 474 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qmc h SER 474 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qmc h SER 474 CO 0.00 0.00 -0.03 0.54 -0.87 0.00 0.00 176.83 176.47 2qmc n ARG 475 N -3.80 0.43 -0.03 4.77 3.00 -0.05 -3.98 116.66 117.00 2qmc n ARG 475 Ca 0.01 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.85 57.71 2qmc n ARG 475 Cb 0.30 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.22 2qmc n ARG 475 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2qmc h ILE 476 N 0.08 1.06 -0.56 0.55 2.04 -1.43 -1.04 117.51 118.22 2qmc h ILE 476 Ca 0.00 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2qmc h ILE 476 Cb 0.31 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2qmc h ILE 476 CO 0.00 0.06 0.29 0.40 0.00 0.00 0.00 178.15 178.90 2qmc h ILE 477 N 0.21 0.95 0.01 -0.67 2.04 -1.74 -0.66 117.51 117.65 2qmc h ILE 477 Ca 0.06 -0.19 -0.21 0.00 1.00 0.00 0.00 64.86 65.52 2qmc h ILE 477 Cb 0.01 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2qmc h ILE 477 CO -0.01 0.10 -0.93 0.71 0.00 0.00 0.00 178.15 178.01 2qmc h THR 478 N 0.55 1.47 -0.07 -0.27 1.35 -1.76 -1.96 112.91 112.22 2qmc h THR 478 Ca 0.25 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 2qmc h THR 478 Cb 0.15 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 2qmc h THR 478 CO -0.17 0.77 0.03 0.74 -0.25 0.00 0.00 175.52 176.64 2qmc h THR 479 N 0.14 0.99 -0.43 6.82 2.02 -0.84 -1.75 112.91 119.86 2qmc h THR 479 Ca -0.06 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 2qmc h THR 479 Cb 1.58 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 2qmc h THR 479 CO 0.15 0.01 -0.02 0.58 0.37 0.00 0.00 175.52 176.61 2qmc h VAL 480 N 0.06 1.26 -0.27 3.16 2.07 -1.09 -2.23 116.25 119.22 2qmc h VAL 480 Ca 0.03 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 2qmc h VAL 480 Cb 0.01 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2qmc h VAL 480 CO -0.02 0.37 -0.28 0.17 0.02 0.00 0.00 177.57 177.82 2qmc h LEU 481 N 0.62 0.55 -0.52 2.57 8.10 -1.26 -2.03 115.31 123.34 2qmc h LEU 481 Ca 0.12 -0.20 -0.02 0.00 0.11 0.00 0.00 57.88 57.89 2qmc h LEU 481 Cb 0.52 -0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.57 2qmc h LEU 481 CO 0.03 0.81 0.23 1.56 -4.11 0.00 0.00 178.44 176.95 2qmc h GLN 482 N 0.47 0.76 -0.32 0.17 4.20 -1.06 -0.15 115.11 119.19 2qmc h GLN 482 Ca 0.06 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.68 2qmc h GLN 482 Cb 0.73 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 2qmc h GLN 482 CO 0.06 0.65 0.10 0.28 -0.67 0.00 0.00 178.83 179.25 2qmc h VAL 483 N 0.69 0.90 -0.05 -0.54 2.07 -1.07 0.22 116.25 118.46 2qmc h VAL 483 Ca 0.18 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2qmc h VAL 483 Cb 0.16 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2qmc h VAL 483 CO -0.02 0.04 -0.02 0.40 0.02 0.00 0.00 177.57 177.99 2qmc h ILE 484 N 0.23 0.93 -0.67 4.57 2.04 -1.20 -2.53 117.51 120.87 2qmc h ILE 484 Ca 0.14 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.07 2qmc h ILE 484 Cb 0.12 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2qmc h ILE 484 CO -0.16 0.00 0.36 -1.28 0.00 0.00 0.00 178.15 177.07 2qmc h SER 485 N -0.01 0.51 -0.98 1.72 0.87 -0.90 -1.10 113.55 113.66 2qmc h SER 485 Ca 0.03 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 2qmc h SER 485 Cb 0.06 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 2qmc h SER 485 CO -0.06 0.32 0.64 0.78 -0.53 0.00 0.00 176.83 177.97 2qmc h ASN 486 N 0.65 1.01 0.26 6.23 2.35 -0.69 0.49 115.58 125.88 2qmc h ASN 486 Ca 0.31 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 2qmc h ASN 486 Cb 0.24 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2qmc h ASN 486 CO -0.21 0.65 -0.12 0.58 -1.65 0.00 0.00 177.43 176.67 2qmc h VAL 487 N 1.14 0.66 -0.05 2.81 2.07 -1.20 -2.01 116.25 119.67 2qmc h VAL 487 Ca 0.42 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2qmc h VAL 487 Cb 0.17 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2qmc h VAL 487 CO -0.16 0.15 -0.17 0.40 0.02 0.00 0.00 177.57 177.81 2qmc h ILE 488 N -0.87 1.44 0.12 4.57 2.04 -0.91 -1.96 117.51 121.94 2qmc h ILE 488 Ca -0.04 -1.56 -0.30 0.00 1.00 0.00 0.00 64.86 63.96 2qmc h ILE 488 Cb 0.51 2.33 0.03 0.00 -0.74 0.00 0.00 36.82 38.95 2qmc h ILE 488 CO 0.06 0.43 -1.24 0.44 0.00 0.00 0.00 178.15 177.84 2qmc h ASP 489 N -0.32 0.82 -0.01 1.72 3.32 -0.22 -3.38 116.42 118.35 2qmc h ASP 489 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.28 2qmc h ASP 489 Cb 0.79 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2qmc h ASP 489 CO 0.04 1.58 -0.22 -1.22 -1.72 0.00 0.00 179.24 177.69 2qmc n TYR 490 N -3.76 0.00 -2.80 4.55 4.01 -1.09 -4.99 117.16 113.08 2qmc n TYR 490 Ca -0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 2qmc n TYR 490 Cb 0.99 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.04 2qmc n TYR 490 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2qmc n ASN 491 N -0.12 -5.74 -4.77 7.72 3.02 -0.74 -4.98 115.26 109.65 2qmc n ASN 491 Ca 0.05 -0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.02 2qmc n ASN 491 Cb 0.25 -4.62 -0.02 0.00 -0.61 0.00 0.00 39.78 34.78 2qmc n ASN 491 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2qmc s MET 492 N -5.44 4.00 1.02 3.52 -1.94 -0.78 -4.99 119.30 114.69 2qmc s MET 492 Ca 0.20 1.85 -0.15 0.00 -1.71 0.00 0.00 55.69 55.89 2qmc s MET 492 Cb -0.09 -2.64 0.20 0.00 2.01 0.00 0.00 34.83 34.30 2qmc s MET 492 CO 0.25 -0.37 1.14 0.54 -0.01 0.00 0.00 175.02 176.58 2qmc s ASN 493 N -1.14 2.56 0.35 3.03 2.20 -1.26 -4.32 114.94 116.36 2qmc s ASN 493 Ca 0.58 0.83 0.09 0.00 -0.94 0.00 0.00 52.86 53.42 2qmc s ASN 493 Cb -0.31 -1.27 0.67 0.00 -2.00 0.00 0.00 41.25 38.33 2qmc s ASN 493 CO 0.39 -3.13 1.83 -0.29 -2.94 0.00 0.00 177.10 172.96 2qmc h ILE 494 N -1.90 1.24 -0.22 0.54 6.09 -1.96 -0.02 117.51 121.29 2qmc h ILE 494 Ca -0.49 -1.12 -0.04 0.00 -1.37 0.00 0.00 64.86 61.84 2qmc h ILE 494 Cb 1.31 1.46 -0.01 0.00 0.47 0.00 0.00 36.82 40.05 2qmc h ILE 494 CO 0.51 0.33 -0.01 -1.28 -3.07 0.00 0.00 178.15 174.63 2qmc h SER 495 N 0.17 0.39 -0.52 2.19 0.87 -1.93 -1.77 113.55 112.95 2qmc h SER 495 Ca 0.03 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 2qmc h SER 495 Cb 0.57 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2qmc h SER 495 CO 0.04 0.62 0.28 -0.33 -0.53 0.00 0.00 176.83 176.91 2qmc h GLU 496 N 0.15 0.73 -0.57 2.24 5.08 -1.86 -1.11 114.58 119.24 2qmc h GLU 496 Ca 0.06 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2qmc h GLU 496 Cb 0.43 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2qmc h GLU 496 CO 0.01 0.57 0.25 0.00 -1.00 0.00 0.00 179.01 178.84 2qmc h ALA 497 N 1.12 1.38 0.24 3.43 0.00 -0.86 -1.30 119.26 123.27 2qmc h ALA 497 Ca 0.18 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 2qmc h ALA 497 Cb 0.06 -0.23 0.04 0.00 0.00 0.00 0.00 17.79 17.65 2qmc h ALA 497 CO -0.03 0.48 -1.46 0.28 0.00 0.00 0.00 179.25 178.53 2qmc h VAL 498 N 0.80 1.31 -0.17 0.00 2.07 -1.16 -3.32 116.25 115.78 2qmc h VAL 498 Ca 0.20 -2.73 -0.10 0.00 0.82 0.00 0.00 66.70 64.88 2qmc h VAL 498 Cb 0.12 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2qmc h VAL 498 CO -0.02 0.82 -0.35 0.28 0.02 0.00 0.00 177.57 178.32 2qmc h SER 499 N 0.14 0.36 -2.49 0.57 0.02 -0.96 -3.46 113.55 107.73 2qmc h SER 499 Ca -0.24 -0.14 -0.60 0.00 -0.84 0.00 0.00 61.79 59.97 2qmc h SER 499 Cb 2.15 -0.10 0.09 0.00 0.14 0.00 0.00 62.40 64.68 2qmc h SER 499 CO 0.27 0.68 0.47 0.00 -1.14 0.00 0.00 176.83 177.12 2qmc n ALA 500 N -2.48 0.49 -1.57 3.77 0.00 -0.51 -4.88 120.51 115.33 2qmc n ALA 500 Ca -0.01 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 2qmc n ALA 500 Cb 0.45 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.76 2qmc n ALA 500 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qmc n PRO 501 N 1.76 0.83 -4.63 0.00 -0.02 -1.26 -5.01 135.00 126.67 2qmc n PRO 501 Ca 0.12 0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 2qmc n PRO 501 Cb 0.30 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 2qmc n PRO 501 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qmc s ARG 502 N -2.47 1.61 0.43 -0.52 0.52 -1.26 -5.08 118.95 112.18 2qmc s ARG 502 Ca 0.72 -1.23 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 2qmc s ARG 502 Cb -0.44 -1.95 -0.07 0.00 0.52 0.00 0.00 34.95 33.01 2qmc s ARG 502 CO 0.50 0.48 0.04 -0.59 0.02 0.00 0.00 175.30 175.76 2qmc s PHE 503 N -0.94 2.44 -0.21 -0.53 -0.71 -1.26 -3.77 117.98 113.00 2qmc s PHE 503 Ca 0.13 -0.69 -0.15 0.00 -1.04 0.00 0.00 56.93 55.18 2qmc s PHE 503 Cb -0.10 -1.79 0.06 0.00 -1.21 0.00 0.00 43.02 39.98 2qmc s PHE 503 CO 0.04 0.36 0.53 -1.58 -1.34 0.00 0.00 175.22 173.23 2qmc s HIS 504 N -2.71 -0.70 -0.07 3.49 2.46 0.22 -4.80 115.29 113.18 2qmc s HIS 504 Ca 0.32 1.54 -0.00 0.00 0.47 0.00 0.00 55.06 57.40 2qmc s HIS 504 Cb 0.08 0.32 0.02 0.00 -0.13 0.00 0.00 32.58 32.87 2qmc s HIS 504 CO 0.17 -0.36 -0.04 1.41 -2.47 0.00 0.00 174.74 173.45 2qmc s MET 505 N 0.97 1.00 -0.12 2.88 0.00 -1.26 -0.43 119.30 122.35 2qmc s MET 505 Ca -0.06 -0.09 0.16 0.00 0.00 0.00 0.00 55.69 55.70 2qmc s MET 505 Cb -0.06 -1.13 0.27 0.00 0.00 0.00 0.00 34.83 33.91 2qmc s MET 505 CO -0.09 -0.20 1.14 0.00 0.00 0.00 0.00 175.02 175.87 2qmc n GLN 506 N 4.67 1.13 0.00 4.11 10.64 -1.26 -5.04 117.38 131.63 2qmc n GLN 506 Ca -0.15 -2.44 0.00 0.00 -1.83 0.00 0.00 57.00 52.58 2qmc n GLN 506 Cb 0.50 -1.37 0.00 0.00 -0.86 0.00 0.00 30.24 28.52 2qmc n GLN 506 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 2qmc n TRP 507 N -1.21 0.00 -4.47 2.61 -0.00 -1.26 -4.64 117.44 108.47 2qmc n TRP 507 Ca 0.14 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.33 2qmc n TRP 507 Cb 0.66 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.80 2qmc n TRP 507 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2qmc s LEU 508 N 0.00 1.96 0.58 5.87 1.43 -1.26 -2.65 118.68 124.60 2qmc s LEU 508 Ca 0.00 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.35 2qmc s LEU 508 Cb 0.00 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2qmc s LEU 508 CO 0.00 0.04 1.25 -2.16 0.23 0.00 0.00 176.35 175.71 2qmc s PRO 509 N 1.00 3.03 -1.11 1.29 0.04 -1.26 -4.82 135.00 133.18 2qmc s PRO 509 Ca -0.04 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2qmc s PRO 509 Cb -0.15 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.44 2qmc s PRO 509 CO -0.04 -1.19 1.46 0.34 0.04 0.00 0.00 177.00 177.61 2qmc s ASP 510 N -1.39 6.71 -0.04 6.66 -1.08 -1.09 -4.46 116.67 121.99 2qmc s ASP 510 Ca 0.75 -2.09 -0.23 0.00 -0.52 0.00 0.00 52.55 50.47 2qmc s ASP 510 Cb -0.34 -2.51 0.05 0.00 -1.46 0.00 0.00 42.92 38.66 2qmc s ASP 510 CO 0.37 -1.20 0.49 -1.83 0.52 0.00 0.00 175.17 173.52 2qmc s GLU 511 N 3.77 0.85 -0.48 4.34 -1.05 -1.26 -4.64 118.70 120.23 2qmc s GLU 511 Ca 0.45 0.05 -0.16 0.00 -0.15 0.00 0.00 54.97 55.17 2qmc s GLU 511 Cb -0.00 0.39 0.08 0.00 -0.44 0.00 0.00 34.13 34.16 2qmc s GLU 511 CO -0.03 -0.25 0.42 -1.17 0.95 0.00 0.00 175.26 175.17 2qmc s LEU 512 N -1.21 5.63 -0.02 1.83 2.96 -0.09 -4.49 118.68 123.30 2qmc s LEU 512 Ca -0.12 -1.33 -0.27 0.00 -0.22 0.00 0.00 54.13 52.18 2qmc s LEU 512 Cb -0.03 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2qmc s LEU 512 CO 0.07 -0.68 0.87 -0.60 -1.32 0.00 0.00 176.35 174.69 2qmc s ARG 513 N 1.70 4.52 0.39 1.98 3.52 0.43 -1.29 118.95 130.19 2qmc s ARG 513 Ca 0.05 1.21 0.04 0.00 -0.13 0.00 0.00 55.73 56.90 2qmc s ARG 513 Cb -0.24 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 2qmc s ARG 513 CO 0.07 0.02 0.13 0.96 -0.81 0.00 0.00 175.30 175.67 2qmc s ILE 514 N 0.83 0.61 0.15 4.11 -4.36 -0.02 -0.61 121.20 121.93 2qmc s ILE 514 Ca 0.46 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.92 2qmc s ILE 514 Cb -0.20 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 2qmc s ILE 514 CO 0.24 0.00 0.00 -1.61 0.24 0.00 0.00 174.94 173.82 2qmc s GLU 515 N -3.73 2.45 0.22 0.37 2.02 -1.25 -1.60 118.70 117.18 2qmc s GLU 515 Ca 0.27 -1.04 -0.32 0.00 0.02 0.00 0.00 54.97 53.90 2qmc s GLU 515 Cb 0.03 -2.41 -0.13 0.00 0.10 0.00 0.00 34.13 31.73 2qmc s GLU 515 CO 0.15 0.47 1.58 1.17 0.02 0.00 0.00 175.26 178.66 2qmc n LYS 516 N 0.03 2.42 -1.09 1.61 4.81 -1.26 -1.17 118.16 123.51 2qmc n LYS 516 Ca -0.10 0.87 -0.03 0.00 -0.87 0.00 0.00 58.31 58.18 2qmc n LYS 516 Cb 0.54 -2.64 -0.01 0.00 0.02 0.00 0.00 35.03 32.94 2qmc n LYS 516 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2qmc n PHE 517 N 2.93 0.00 0.21 5.64 3.72 -1.26 -4.88 117.46 123.82 2qmc n PHE 517 Ca 0.14 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.65 2qmc n PHE 517 Cb 0.33 -1.63 0.01 0.00 -0.94 0.00 0.00 39.48 37.24 2qmc n PHE 517 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qmc n GLY 518 N -0.44 -1.38 2.69 1.37 0.00 -0.32 -4.83 105.19 102.29 2qmc n GLY 518 Ca -0.03 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 2qmc n GLY 518 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qmc s MET 519 N -3.34 -0.06 0.71 1.61 -2.45 -1.26 -4.84 119.30 109.67 2qmc s MET 519 Ca 0.00 0.39 -0.11 0.00 -1.25 0.00 0.00 55.69 54.72 2qmc s MET 519 Cb 0.11 -0.47 0.02 0.00 1.25 0.00 0.00 34.83 35.74 2qmc s MET 519 CO 0.80 -0.32 1.07 -1.25 1.05 0.00 0.00 175.02 176.37 2qmc s PRO 520 N 2.12 2.78 0.25 4.11 0.04 -1.26 -4.78 135.00 138.26 2qmc s PRO 520 Ca 0.04 1.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.01 2qmc s PRO 520 Cb -0.12 -1.97 0.42 0.00 0.04 0.00 0.00 34.50 32.87 2qmc s PRO 520 CO -0.03 -1.22 1.62 0.00 0.04 0.00 0.00 177.00 177.40 2qmc h ALA 521 N -0.79 0.71 -0.95 8.56 0.00 -2.01 -0.86 119.26 123.93 2qmc h ALA 521 Ca -0.44 0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qmc h ALA 521 Cb 1.22 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2qmc h ALA 521 CO 0.55 -0.43 0.63 -0.44 0.00 0.00 0.00 179.25 179.56 2qmc h ASP 522 N 0.06 1.08 -0.09 0.00 5.19 -1.99 0.22 116.42 120.88 2qmc h ASP 522 Ca 0.41 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.70 2qmc h ASP 522 Cb 0.71 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2qmc h ASP 522 CO -0.73 0.78 -0.31 0.58 -3.12 0.00 0.00 179.24 176.44 2qmc h VAL 523 N 1.28 1.40 -0.72 -1.35 2.07 -1.64 -2.58 116.25 114.71 2qmc h VAL 523 Ca 0.35 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 66.25 2qmc h VAL 523 Cb -0.14 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 2qmc h VAL 523 CO -0.08 0.48 0.44 0.11 0.02 0.00 0.00 177.57 178.55 2qmc h LYS 524 N -0.08 0.81 -0.16 1.57 1.57 -0.73 -1.42 116.57 118.14 2qmc h LYS 524 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qmc h LYS 524 Cb 0.94 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2qmc h LYS 524 CO 0.07 0.54 0.10 -0.44 -0.57 0.00 0.00 179.45 179.15 2qmc h ASP 525 N 0.84 0.18 -0.69 0.86 3.32 -0.53 0.26 116.42 120.66 2qmc h ASP 525 Ca 0.30 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2qmc h ASP 525 Cb 0.09 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2qmc h ASP 525 CO -0.14 0.14 0.33 0.78 -1.72 0.00 0.00 179.24 178.64 2qmc h ASN 526 N 0.21 0.90 -0.55 6.45 2.35 -1.15 -0.80 115.58 122.99 2qmc h ASN 526 Ca 0.06 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 2qmc h ASN 526 Cb -0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2qmc h ASN 526 CO -0.01 0.77 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.36 2qmc h LEU 527 N 0.96 1.04 -0.94 1.61 3.38 -1.14 -2.35 115.31 117.87 2qmc h LEU 527 Ca 0.24 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qmc h LEU 527 Cb 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2qmc h LEU 527 CO -0.03 1.15 0.49 0.74 0.09 0.00 0.00 178.44 180.88 2qmc h THR 528 N 0.92 1.26 -0.40 0.22 2.02 -0.69 -2.29 112.91 113.94 2qmc h THR 528 Ca 0.14 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 2qmc h THR 528 Cb 0.68 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2qmc h THR 528 CO 0.05 0.29 0.07 0.11 0.37 0.00 0.00 175.52 176.41 2qmc h LYS 529 N 1.24 0.61 0.00 6.66 1.57 -0.96 -1.08 116.57 124.61 2qmc h LYS 529 Ca 0.31 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2qmc h LYS 529 Cb 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2qmc h LYS 529 CO -0.05 0.58 -0.07 0.52 -0.57 0.00 0.00 179.45 179.85 2qmc h MET 530 N 0.59 0.00 0.00 3.15 2.86 -0.88 -3.46 114.93 117.19 2qmc h MET 530 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2qmc h MET 530 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2qmc h MET 530 CO 0.00 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.45 2qmc n GLY 531 N -0.71 1.52 3.77 8.32 0.00 -0.41 -5.11 105.19 112.56 2qmc n GLY 531 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2qmc n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qmc s TYR 532 N -2.00 3.89 -0.50 1.61 2.02 -1.00 -5.02 117.35 116.35 2qmc s TYR 532 Ca 0.00 1.79 -0.18 0.00 -0.37 0.00 0.00 57.07 58.30 2qmc s TYR 532 Cb 0.00 -2.89 0.07 0.00 -0.40 0.00 0.00 41.96 38.74 2qmc s TYR 532 CO 0.00 0.42 0.57 -1.14 -1.57 0.00 0.00 175.55 173.84 2qmc s GLN 533 N -1.38 3.08 -0.05 -0.62 2.00 -1.26 -4.35 119.66 117.08 2qmc s GLN 533 Ca 0.41 -1.04 -0.22 0.00 -2.00 0.00 0.00 55.36 52.51 2qmc s GLN 533 Cb -0.23 -4.12 -0.04 0.00 0.80 0.00 0.00 33.01 29.41 2qmc s GLN 533 CO 0.28 -1.20 0.66 0.42 -0.50 0.00 0.00 175.29 174.96 2qmc s ILE 534 N 2.38 5.00 -0.05 -2.34 1.01 -1.26 -0.91 121.20 125.04 2qmc s ILE 534 Ca 0.12 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.17 2qmc s ILE 534 Cb -0.21 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2qmc s ILE 534 CO 0.10 0.30 -0.10 0.68 0.00 0.00 0.00 174.94 175.92 2qmc s VAL 535 N 0.51 0.95 -0.19 2.92 -7.23 -0.41 -4.94 120.40 112.01 2qmc s VAL 535 Ca 0.35 -0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.93 2qmc s VAL 535 Cb -0.18 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 2qmc s VAL 535 CO 0.18 0.31 0.55 -0.89 -0.31 0.00 0.00 175.10 174.94 2qmc s THR 536 N 0.56 5.08 0.29 5.32 2.01 -1.26 -0.84 115.64 126.81 2qmc s THR 536 Ca -0.11 1.04 0.02 0.00 0.31 0.00 0.00 61.69 62.95 2qmc s THR 536 Cb -0.14 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2qmc s THR 536 CO 0.02 0.17 0.10 -0.54 -0.69 0.00 0.00 174.62 173.68 2qmc s LYS 537 N 1.65 1.54 0.67 4.92 1.02 -0.63 -4.95 119.74 123.96 2qmc s LYS 537 Ca 0.26 -1.86 -0.17 0.00 0.02 0.00 0.00 55.97 54.22 2qmc s LYS 537 Cb -0.16 -0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 2qmc s LYS 537 CO 0.10 -0.31 0.82 -2.30 -0.92 0.00 0.00 175.35 172.74 2qmc n PRO 538 N -0.57 0.57 -1.62 -1.68 -0.02 -1.26 -4.40 135.00 126.01 2qmc n PRO 538 Ca -0.01 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 2qmc n PRO 538 Cb 0.66 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 2qmc n PRO 538 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2qmc n VAL 539 N -2.17 2.75 -3.69 -1.45 0.24 -1.26 -4.92 118.33 107.83 2qmc n VAL 539 Ca 0.13 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.55 2qmc n VAL 539 Cb 0.49 -1.22 -0.12 0.00 -1.47 0.00 0.00 33.84 31.52 2qmc n VAL 539 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2qmc s MET 540 N -2.23 3.77 0.00 7.34 -1.94 -1.26 -5.04 119.30 119.94 2qmc s MET 540 Ca 0.66 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 2qmc s MET 540 Cb -0.51 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 32.87 2qmc s MET 540 CO 0.55 -0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.78 2qmc n GLY 541 N 4.97 0.12 2.76 -0.03 0.00 -1.26 -4.94 105.19 106.80 2qmc n GLY 541 Ca -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 2qmc n GLY 541 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qmc n ASP 542 N -0.30 -3.44 -4.70 1.61 2.03 -1.26 -4.75 116.55 105.74 2qmc n ASP 542 Ca 0.00 -2.90 -0.41 0.00 0.52 0.00 0.00 54.79 52.00 2qmc n ASP 542 Cb 0.00 1.75 -0.04 0.00 -0.72 0.00 0.00 41.12 42.11 2qmc n ASP 542 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2qmc s VAL 543 N 0.87 4.92 -0.23 5.18 1.01 -1.26 -4.27 120.40 126.62 2qmc s VAL 543 Ca 0.30 1.79 -0.01 0.00 0.00 0.00 0.00 61.98 64.05 2qmc s VAL 543 Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2qmc s VAL 543 CO -0.05 0.15 -0.09 0.20 0.00 0.00 0.00 175.10 175.30 2qmc s ASN 544 N 0.98 4.02 0.04 3.32 0.01 -1.23 -2.66 114.94 119.42 2qmc s ASN 544 Ca 0.45 -0.75 0.02 0.00 -0.71 0.00 0.00 52.86 51.86 2qmc s ASN 544 Cb -0.19 -1.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 2qmc s ASN 544 CO 0.21 -0.08 -0.07 0.00 -1.51 0.00 0.00 177.10 175.65 2qmc s ALA 545 N 1.33 0.53 -0.04 0.60 0.00 -0.21 -4.18 121.76 119.80 2qmc s ALA 545 Ca 0.02 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.25 2qmc s ALA 545 Cb -0.15 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2qmc s ALA 545 CO -0.06 -0.07 -0.25 0.42 0.00 0.00 0.00 175.76 175.79 2qmc s ILE 546 N -1.66 2.01 -0.09 0.00 1.01 -0.11 -0.85 121.20 121.50 2qmc s ILE 546 Ca -0.09 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2qmc s ILE 546 Cb -0.08 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2qmc s ILE 546 CO -0.01 0.56 -0.17 -1.58 0.00 0.00 0.00 174.94 173.75 2qmc s GLN 547 N -0.39 2.94 -0.17 2.79 0.74 0.41 -0.67 119.66 125.30 2qmc s GLN 547 Ca 0.04 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.68 2qmc s GLN 547 Cb -0.12 -2.43 -0.00 0.00 1.10 0.00 0.00 33.01 31.56 2qmc s GLN 547 CO 0.01 0.36 -0.12 0.08 -0.55 0.00 0.00 175.29 175.07 2qmc s VAL 548 N -0.05 2.86 -0.02 1.34 1.01 -0.27 -0.36 120.40 124.91 2qmc s VAL 548 Ca -0.04 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2qmc s VAL 548 Cb -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2qmc s VAL 548 CO 0.04 0.49 -0.24 -0.76 0.00 0.00 0.00 175.10 174.63 2qmc s LEU 549 N 1.00 2.05 0.30 3.92 1.43 -0.20 -4.58 118.68 122.60 2qmc s LEU 549 Ca -0.01 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 2qmc s LEU 549 Cb -0.15 -1.25 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 2qmc s LEU 549 CO -0.02 0.29 1.33 -2.84 0.23 0.00 0.00 176.35 175.35 2qmc s PRO 550 N -0.53 4.34 0.44 1.29 0.02 -1.26 -0.51 135.00 138.79 2qmc s PRO 550 Ca 0.08 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.33 2qmc s PRO 550 Cb -0.10 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.35 2qmc s PRO 550 CO -0.01 -0.24 0.14 0.36 -0.33 0.00 0.00 177.00 176.92 2qmc n LYS 551 N 1.34 0.90 0.25 5.54 2.85 0.17 -4.79 118.16 124.41 2qmc n LYS 551 Ca 0.02 -3.03 -0.17 0.00 -1.05 0.00 0.00 58.31 54.08 2qmc n LYS 551 Cb 0.42 0.62 -0.09 0.00 -0.65 0.00 0.00 35.03 35.32 2qmc n LYS 551 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2qmc h THR 552 N 0.98 0.07 -2.82 0.58 2.02 -1.99 -3.25 112.91 108.51 2qmc h THR 552 Ca -0.33 0.00 -0.73 0.00 0.77 0.00 0.00 66.41 66.12 2qmc h THR 552 Cb 1.07 0.07 -0.21 0.00 -1.74 0.00 0.00 68.15 67.35 2qmc h THR 552 CO 0.54 0.00 0.70 -0.54 0.37 0.00 0.00 175.52 176.59 2qmc s LYS 553 N -5.89 3.72 6.58 6.66 3.01 -1.26 -4.97 119.74 127.58 2qmc s LYS 553 Ca -0.17 -2.17 0.00 0.00 -1.01 0.00 0.00 55.97 52.61 2qmc s LYS 553 Cb 0.05 -4.79 0.00 0.00 -1.01 0.00 0.00 37.83 32.08 2qmc s LYS 553 CO 0.61 -1.61 0.00 0.41 0.51 0.00 0.00 175.35 175.27 2qmc n GLY 554 N 4.69 0.93 3.11 -3.33 0.00 -1.23 -4.92 105.19 104.44 2qmc n GLY 554 Ca 0.23 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 2qmc n GLY 554 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qmc s SER 555 N -4.00 1.02 -0.09 1.61 0.01 -1.26 0.41 113.70 111.40 2qmc s SER 555 Ca 0.00 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.56 2qmc s SER 555 Cb 0.00 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 2qmc s SER 555 CO 0.00 -0.29 -0.11 0.54 0.41 0.00 0.00 173.24 173.79 2qmc s VAL 556 N -2.16 3.28 -0.22 3.43 0.11 0.33 -4.80 120.40 120.37 2qmc s VAL 556 Ca -0.02 -0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 58.36 2qmc s VAL 556 Cb -0.05 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2qmc s VAL 556 CO -0.01 0.56 0.02 -0.36 -3.33 0.00 0.00 175.10 171.97 2qmc s PHE 557 N -0.27 3.04 -0.11 1.54 0.40 -1.26 -1.03 117.98 120.29 2qmc s PHE 557 Ca 0.02 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2qmc s PHE 557 Cb -0.13 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 2qmc s PHE 557 CO 0.03 -0.33 -0.01 0.71 0.70 0.00 0.00 175.22 176.31 2qmc s TYR 558 N 1.27 3.10 0.16 0.36 2.02 0.51 -4.98 117.35 119.80 2qmc s TYR 558 Ca 0.04 0.03 0.11 0.00 -0.37 0.00 0.00 57.07 56.88 2qmc s TYR 558 Cb -0.15 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 2qmc s TYR 558 CO 0.01 0.30 -0.24 0.20 -1.57 0.00 0.00 175.55 174.25 2qmc s GLY 559 N -0.46 1.58 -0.01 0.71 0.00 -1.26 -0.45 107.32 107.43 2qmc s GLY 559 Ca 0.08 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2qmc s GLY 559 CO 0.02 -1.55 0.02 -0.45 0.00 0.00 0.00 173.10 171.14 2qmc s SER 560 N -2.43 0.05 0.76 1.64 0.15 -0.03 -4.79 113.70 109.05 2qmc s SER 560 Ca 0.17 0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.81 2qmc s SER 560 Cb -0.08 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.32 2qmc s SER 560 CO 0.08 -0.08 1.04 0.42 1.20 0.00 0.00 173.24 175.90 2qmc s THR 561 N 0.65 2.09 -0.22 6.45 -4.23 -1.26 -1.04 115.64 118.07 2qmc s THR 561 Ca -0.05 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.84 2qmc s THR 561 Cb -0.08 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2qmc s THR 561 CO -0.02 0.00 0.10 -0.62 -0.54 0.00 0.00 174.62 173.54 2qmc s ASP 562 N -4.77 5.63 0.34 3.99 -1.08 -1.09 -4.89 116.67 114.81 2qmc s ASP 562 Ca 0.68 -0.00 0.25 0.00 -0.52 0.00 0.00 52.55 52.95 2qmc s ASP 562 Cb -0.05 -2.00 1.24 0.00 -1.46 0.00 0.00 42.92 40.65 2qmc s ASP 562 CO 0.46 0.07 1.75 1.55 0.52 0.00 0.00 175.17 179.52 2qmc h PRO 563 N 7.46 0.00 0.00 4.34 0.13 -1.92 -1.14 132.00 140.87 2qmc h PRO 563 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 2qmc h PRO 563 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qmc h PRO 563 CO 0.64 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.33 2qmc h ARG 564 N 0.00 0.00 0.00 0.86 3.08 -1.92 -3.54 114.38 112.86 2qmc h ARG 564 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qmc h ARG 564 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2qmc h ARG 564 CO 0.00 0.08 0.00 1.17 -1.07 0.00 0.00 179.97 180.15