#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqo s THR 381 N 0.00 0.02 0.02 12.58 -1.32 -0.85 -4.69 115.64 121.40 2nqo s THR 381 Ca 0.00 -0.18 0.06 0.00 -1.21 0.00 0.00 61.69 60.36 2nqo s THR 381 Cb 0.00 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.15 2nqo s THR 381 CO 0.00 -0.10 -0.17 -2.28 -2.21 0.00 0.00 174.62 169.86 2nqo s HIS 382 N -1.05 1.52 0.01 9.09 5.04 -1.26 -2.01 115.29 126.62 2nqo s HIS 382 Ca -0.11 -0.33 0.00 0.00 -1.54 0.00 0.00 55.06 53.09 2nqo s HIS 382 Cb -0.02 -0.94 -0.01 0.00 0.04 0.00 0.00 32.58 31.65 2nqo s HIS 382 CO 0.07 0.02 -0.02 1.52 -2.34 0.00 0.00 174.74 173.99 2nqo s TYR 383 N -0.62 0.18 0.01 3.88 -0.85 -0.31 -4.58 117.35 115.05 2nqo s TYR 383 Ca 0.06 -0.19 0.08 0.00 -0.52 0.00 0.00 57.07 56.50 2nqo s TYR 383 Cb -0.07 -0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.12 2nqo s TYR 383 CO 0.01 -0.06 -0.24 -1.12 -1.52 0.00 0.00 175.55 172.61 2nqo s SER 384 N -0.52 2.89 -0.01 -0.18 0.01 -1.26 -1.42 113.70 113.21 2nqo s SER 384 Ca -0.05 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2nqo s SER 384 Cb -0.04 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2nqo s SER 384 CO -0.00 0.26 -0.01 -0.69 0.41 0.00 0.00 173.24 173.21 2nqo s VAL 385 N -0.68 0.14 -0.06 3.43 1.01 0.02 -4.97 120.40 119.28 2nqo s VAL 385 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2nqo s VAL 385 Cb -0.09 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.18 2nqo s VAL 385 CO 0.01 0.06 0.12 0.00 0.00 0.00 0.00 175.10 175.29 2nqo s ALA 386 N 0.19 -0.16 0.53 5.51 0.00 -1.26 0.07 121.76 126.64 2nqo s ALA 386 Ca -0.02 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2nqo s ALA 386 Cb -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.62 2nqo s ALA 386 CO -0.01 -0.25 0.48 0.16 0.00 0.00 0.00 175.76 176.15 2nqo s ASP 387 N 1.43 4.80 0.18 0.00 1.47 -0.70 -5.01 116.67 118.84 2nqo s ASP 387 Ca -0.06 -1.07 0.22 0.00 1.18 0.00 0.00 52.55 52.82 2nqo s ASP 387 Cb -0.12 0.21 0.89 0.00 -0.34 0.00 0.00 42.92 43.57 2nqo s ASP 387 CO -0.05 -1.07 1.68 -2.11 0.68 0.00 0.00 175.17 174.29 2nqo n ARG 388 N -1.82 0.15 0.08 2.11 1.85 -1.26 -2.69 116.66 115.07 2nqo n ARG 388 Ca 0.03 0.34 0.12 0.00 -1.00 0.00 0.00 57.85 57.34 2nqo n ARG 388 Cb 0.63 -1.76 0.21 0.00 -1.05 0.00 0.00 32.46 30.50 2nqo n ARG 388 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 2nqo h TRP 389 N 0.00 0.00 0.00 2.89 6.55 -2.05 -3.47 115.95 119.86 2nqo h TRP 389 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2nqo h TRP 389 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 2nqo h TRP 389 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 2nqo n GLY 390 N 1.31 0.90 3.83 1.49 0.00 -1.09 -5.10 105.19 106.52 2nqo n GLY 390 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2nqo n GLY 390 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nqo s ASN 391 N -1.48 6.79 -0.09 1.61 0.01 -1.26 -4.81 114.94 115.71 2nqo s ASN 391 Ca 0.00 1.61 -0.06 0.00 -0.71 0.00 0.00 52.86 53.71 2nqo s ASN 391 Cb 0.00 -2.52 0.04 0.00 0.41 0.00 0.00 41.25 39.18 2nqo s ASN 391 CO 0.00 -0.45 0.22 0.00 -1.51 0.00 0.00 177.10 175.35 2nqo s ALA 392 N -2.37 -0.50 -0.10 0.60 0.00 -1.26 -1.71 121.76 116.42 2nqo s ALA 392 Ca 0.60 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.37 2nqo s ALA 392 Cb -0.09 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2nqo s ALA 392 CO 0.21 -0.16 -0.10 0.08 0.00 0.00 0.00 175.76 175.80 2nqo s VAL 393 N 0.83 1.11 -0.25 0.00 1.01 0.11 -5.00 120.40 118.21 2nqo s VAL 393 Ca -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2nqo s VAL 393 Cb -0.07 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2nqo s VAL 393 CO -0.05 0.37 -0.07 -0.55 0.00 0.00 0.00 175.10 174.80 2nqo s SER 394 N 1.34 4.34 -0.10 3.32 0.15 -1.26 -0.80 113.70 120.68 2nqo s SER 394 Ca -0.02 -0.97 0.03 0.00 0.70 0.00 0.00 55.95 55.70 2nqo s SER 394 Cb -0.14 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2nqo s SER 394 CO -0.04 -0.14 -0.22 -0.69 1.20 0.00 0.00 173.24 173.34 2nqo s VAL 395 N 1.29 1.91 -0.12 4.45 1.01 -0.51 -4.80 120.40 123.63 2nqo s VAL 395 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2nqo s VAL 395 Cb -0.17 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2nqo s VAL 395 CO -0.05 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.54 2nqo s THR 396 N 0.50 1.50 0.17 3.92 2.01 -1.26 -1.16 115.64 121.32 2nqo s THR 396 Ca -0.16 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 2nqo s THR 396 Cb -0.17 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 2nqo s THR 396 CO 0.06 0.44 0.14 -0.72 -0.69 0.00 0.00 174.62 173.85 2nqo s TYR 397 N 1.17 0.92 0.09 4.92 1.13 -0.85 -5.00 117.35 119.72 2nqo s TYR 397 Ca -0.03 -1.22 -0.26 0.00 -1.41 0.00 0.00 57.07 54.15 2nqo s TYR 397 Cb -0.14 -0.43 0.09 0.00 -1.10 0.00 0.00 41.96 40.38 2nqo s TYR 397 CO -0.05 -0.62 1.13 -0.08 -2.51 0.00 0.00 175.55 173.42 2nqo s THR 398 N -4.09 0.00 -0.09 -3.49 -1.32 -1.26 -2.00 115.64 103.39 2nqo s THR 398 Ca 0.30 -0.43 0.13 0.00 -1.21 0.00 0.00 61.69 60.48 2nqo s THR 398 Cb 0.06 -2.41 0.19 0.00 -1.51 0.00 0.00 72.50 68.84 2nqo s THR 398 CO 0.07 0.00 1.08 2.30 -2.21 0.00 0.00 174.62 175.86 2nqo n ILE 399 N -0.61 1.41 0.00 5.08 -5.35 -1.26 -4.96 119.36 113.67 2nqo n ILE 399 Ca -0.04 -1.67 0.00 0.00 -0.27 0.00 0.00 62.75 60.77 2nqo n ILE 399 Cb 0.61 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 2nqo n ILE 399 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2nqo n ASN 400 N -1.04 0.00 -4.53 7.28 5.15 -1.26 -1.63 115.26 119.23 2nqo n ASN 400 Ca 0.11 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.80 2nqo n ASN 400 Cb 0.59 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 40.04 2nqo n ASN 400 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nqo s ALA 401 N -1.00 0.50 -0.04 5.20 0.00 -1.26 -3.32 121.76 121.84 2nqo s ALA 401 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 2nqo s ALA 401 Cb 0.00 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2nqo s ALA 401 CO 0.00 -3.22 1.97 0.45 0.00 0.00 0.00 175.76 174.96 2nqo s SER 402 N -3.29 6.26 -0.94 0.00 0.15 -1.26 -0.12 113.70 114.50 2nqo s SER 402 Ca 0.67 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.73 2nqo s SER 402 Cb -0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2nqo s SER 402 CO 0.59 -1.24 0.00 -1.22 1.20 0.00 0.00 173.24 172.57 2nqo n TYR 403 N 8.40 0.00 0.00 3.44 4.01 -1.26 -4.81 117.16 126.94 2nqo n TYR 403 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2nqo n TYR 403 Cb 0.42 -1.84 0.00 0.00 -0.31 0.00 0.00 39.34 37.61 2nqo n TYR 403 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nqo n GLY 404 N -1.59 3.44 0.00 2.72 0.00 0.83 -1.01 105.19 109.59 2nqo n GLY 404 Ca -0.09 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2nqo n GLY 404 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nqo n SER 405 N 4.62 0.00 0.00 1.61 3.41 -0.35 -4.53 113.62 118.38 2nqo n SER 405 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2nqo n SER 405 Cb 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2nqo n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nqo n ALA 406 N -1.41 0.00 -2.80 7.33 0.00 -0.18 -4.98 120.51 118.47 2nqo n ALA 406 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 2nqo n ALA 406 Cb 0.25 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.30 2nqo n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nqo s ALA 407 N -2.98 3.44 0.25 0.00 0.00 -1.26 -4.99 121.76 116.22 2nqo s ALA 407 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.30 2nqo s ALA 407 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2nqo s ALA 407 CO 0.00 0.37 0.07 -1.12 0.00 0.00 0.00 175.76 175.08 2nqo s SER 408 N -0.22 4.95 -0.48 0.00 0.01 -1.26 -0.34 113.70 116.37 2nqo s SER 408 Ca 0.08 -0.46 -0.25 0.00 1.31 0.00 0.00 55.95 56.62 2nqo s SER 408 Cb -0.12 -1.08 0.03 0.00 0.21 0.00 0.00 66.02 65.05 2nqo s SER 408 CO 0.01 -0.00 0.92 -0.63 0.41 0.00 0.00 173.24 173.96 2nqo s ILE 409 N -2.17 4.46 0.06 1.44 -1.09 -0.40 -4.92 121.20 118.59 2nqo s ILE 409 Ca 0.31 0.66 -0.34 0.00 -2.23 0.00 0.00 60.65 59.06 2nqo s ILE 409 Cb -0.07 -4.45 -0.13 0.00 -1.58 0.00 0.00 42.46 36.23 2nqo s ILE 409 CO 0.22 -0.88 1.73 -0.67 -1.23 0.00 0.00 174.94 174.11 2nqo n ASP 410 N 7.21 3.38 0.00 3.58 2.03 -1.26 -1.02 116.55 130.47 2nqo n ASP 410 Ca 0.05 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.39 2nqo n ASP 410 Cb 0.48 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2nqo n ASP 410 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nqo n GLY 411 N 3.91 1.46 0.00 0.27 0.00 -1.26 -4.86 105.19 104.71 2nqo n GLY 411 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 2nqo n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqo n ALA 412 N -1.49 2.64 -1.15 4.61 0.00 -0.18 -5.04 120.51 119.90 2nqo n ALA 412 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 2nqo n ALA 412 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 2nqo n ALA 412 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nqo n GLY 413 N 1.59 0.69 3.30 0.00 0.00 -1.13 -5.00 105.19 104.66 2nqo n GLY 413 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 2nqo n GLY 413 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nqo s PHE 414 N -1.90 1.92 0.21 1.61 -0.71 -1.26 -4.98 117.98 112.88 2nqo s PHE 414 Ca 0.00 -0.40 -0.29 0.00 -1.04 0.00 0.00 56.93 55.20 2nqo s PHE 414 Cb 0.00 -1.07 -0.08 0.00 -1.21 0.00 0.00 43.02 40.66 2nqo s PHE 414 CO 0.00 0.21 0.91 -0.51 -1.34 0.00 0.00 175.22 174.49 2nqo s LEU 415 N -1.81 4.62 0.19 -1.99 1.43 -1.26 -1.27 118.68 118.59 2nqo s LEU 415 Ca 0.08 1.87 -0.21 0.00 -1.03 0.00 0.00 54.13 54.84 2nqo s LEU 415 Cb -0.10 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 2nqo s LEU 415 CO 0.04 0.15 0.73 -0.76 0.23 0.00 0.00 176.35 176.74 2nqo s LEU 416 N -1.06 4.43 0.83 1.79 1.43 0.54 -4.94 118.68 121.70 2nqo s LEU 416 Ca 0.40 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 2nqo s LEU 416 Cb -0.25 -3.44 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2nqo s LEU 416 CO 0.31 0.11 1.09 0.54 0.23 0.00 0.00 176.35 178.62 2nqo s ASN 417 N -1.45 4.04 -0.37 2.29 2.20 -1.26 -1.21 114.94 119.18 2nqo s ASN 417 Ca 0.40 1.61 0.08 0.00 -0.94 0.00 0.00 52.86 54.01 2nqo s ASN 417 Cb -0.19 -2.31 0.44 0.00 -2.00 0.00 0.00 41.25 37.19 2nqo s ASN 417 CO 0.22 -2.30 1.12 -0.46 -2.94 0.00 0.00 177.10 172.75 2nqo n ASN 418 N -3.67 4.27 0.25 3.54 6.94 -0.64 -4.06 115.26 121.89 2nqo n ASN 418 Ca 0.08 -3.53 0.17 0.00 -0.02 0.00 0.00 54.58 51.28 2nqo n ASN 418 Cb 0.54 -0.43 0.78 0.00 -2.36 0.00 0.00 39.78 38.31 2nqo n ASN 418 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2nqo h GLU 419 N 2.49 0.00 0.00 -3.83 4.57 -1.94 -3.02 114.58 112.85 2nqo h GLU 419 Ca 0.26 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2nqo h GLU 419 Cb 1.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2nqo h GLU 419 CO 0.74 0.00 -0.02 0.52 -1.18 0.00 0.00 179.01 179.07 2nqo h MET 420 N 0.00 0.00 0.00 1.92 2.86 -1.97 -1.17 114.93 116.56 2nqo h MET 420 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2nqo h MET 420 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2nqo h MET 420 CO 0.00 0.02 0.00 -3.47 1.06 0.00 0.00 176.91 174.52 2nqo n ASP 421 N -3.36 0.70 0.00 1.22 2.03 -1.14 -1.96 116.55 114.05 2nqo n ASP 421 Ca -0.02 0.66 0.13 0.00 0.52 0.00 0.00 54.79 56.07 2nqo n ASP 421 Cb 0.13 -0.81 0.67 0.00 -0.72 0.00 0.00 41.12 40.38 2nqo n ASP 421 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2nqo n ASP 422 N -2.26 0.00 -4.93 1.67 9.92 -0.44 -4.69 116.55 115.82 2nqo n ASP 422 Ca 0.03 -0.16 -0.25 0.00 -0.53 0.00 0.00 54.79 53.87 2nqo n ASP 422 Cb 0.26 -0.26 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 2nqo n ASP 422 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2nqo s PHE 423 N -2.52 3.12 -0.36 1.24 0.08 -0.83 -3.83 117.98 114.89 2nqo s PHE 423 Ca 0.26 0.48 -0.18 0.00 0.12 0.00 0.00 56.93 57.61 2nqo s PHE 423 Cb 0.18 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2nqo s PHE 423 CO 0.39 -0.93 0.52 0.45 -0.10 0.00 0.00 175.22 175.55 2nqo s SER 424 N -4.36 6.31 0.00 1.36 0.15 0.12 -4.90 113.70 112.37 2nqo s SER 424 Ca 0.55 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 57.37 2nqo s SER 424 Cb -0.11 -2.27 0.84 0.00 -1.71 0.00 0.00 66.02 62.78 2nqo s SER 424 CO 0.44 -0.52 1.62 2.30 1.20 0.00 0.00 173.24 178.28 2nqo n ILE 425 N 5.47 0.00 -3.64 6.45 -5.35 -1.26 -4.00 119.36 117.02 2nqo n ILE 425 Ca -0.05 -0.09 -0.03 0.00 -0.27 0.00 0.00 62.75 62.31 2nqo n ILE 425 Cb 0.49 0.23 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 2nqo n ILE 425 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2nqo s LYS 426 N -2.58 0.42 -0.03 6.28 2.20 -1.26 -5.03 119.74 119.75 2nqo s LYS 426 Ca 0.23 0.72 -0.37 0.00 -0.36 0.00 0.00 55.97 56.19 2nqo s LYS 426 Cb 0.19 0.09 -0.16 0.00 -1.51 0.00 0.00 37.83 36.44 2nqo s LYS 426 CO 0.54 -0.09 1.51 -2.30 -0.36 0.00 0.00 175.35 174.65 2nqo n PRO 427 N 3.71 1.30 -0.01 4.03 -0.02 -1.26 -1.10 135.00 141.65 2nqo n PRO 427 Ca -0.18 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2nqo n PRO 427 Cb 0.58 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2nqo n PRO 427 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nqo n GLY 428 N 3.21 2.61 3.68 -1.23 0.00 -0.96 -5.00 105.19 107.51 2nqo n GLY 428 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2nqo n GLY 428 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nqo s ASN 429 N -3.75 7.07 -0.01 1.61 3.84 -0.26 -4.88 114.94 118.57 2nqo s ASN 429 Ca 0.00 1.73 -0.30 0.00 0.21 0.00 0.00 52.86 54.50 2nqo s ASN 429 Cb 0.00 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.11 2nqo s ASN 429 CO 0.00 -0.58 1.11 -2.16 -2.79 0.00 0.00 177.10 172.67 2nqo s PRO 430 N 2.37 4.45 0.00 0.43 0.04 -1.26 -4.53 135.00 136.50 2nqo s PRO 430 Ca 0.54 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2nqo s PRO 430 Cb -0.23 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2nqo s PRO 430 CO 0.20 -0.25 0.00 0.27 0.04 0.00 0.00 177.00 177.26 2nqo n ASN 431 N 4.37 0.00 0.09 6.66 6.94 -0.19 -4.76 115.26 128.37 2nqo n ASN 431 Ca 0.08 -0.92 0.21 0.00 -0.02 0.00 0.00 54.58 53.93 2nqo n ASN 431 Cb 0.48 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.63 2nqo n ASN 431 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2nqo h LEU 432 N 0.00 0.00 -3.17 -4.53 3.38 -1.90 0.02 115.31 109.11 2nqo h LEU 432 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nqo h LEU 432 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2nqo h LEU 432 CO 0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 2nqo n TYR 433 N -3.64 1.06 -1.15 1.13 4.01 -1.26 -4.94 117.16 112.37 2nqo n TYR 433 Ca 0.08 -0.71 -0.05 0.00 -0.16 0.00 0.00 57.90 57.06 2nqo n TYR 433 Cb 0.67 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.43 2nqo n TYR 433 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nqo n GLY 434 N 0.23 0.73 3.84 2.72 0.00 -0.01 -4.75 105.19 107.96 2nqo n GLY 434 Ca 0.21 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2nqo n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nqo s LEU 435 N -1.17 4.15 0.28 0.99 1.43 -1.26 -4.58 118.68 118.53 2nqo s LEU 435 Ca 0.00 1.30 0.05 0.00 -1.03 0.00 0.00 54.13 54.45 2nqo s LEU 435 Cb 0.00 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.26 2nqo s LEU 435 CO 0.00 -0.13 -0.00 0.68 0.23 0.00 0.00 176.35 177.13 2nqo s VAL 436 N -1.83 1.29 0.04 -1.59 -7.23 -1.26 -1.02 120.40 108.80 2nqo s VAL 436 Ca 0.50 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 2nqo s VAL 436 Cb -0.12 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2nqo s VAL 436 CO 0.19 -0.22 0.10 0.61 -0.31 0.00 0.00 175.10 175.46 2nqo n GLY 437 N -0.55 1.81 0.00 2.32 0.00 -1.26 -4.99 105.19 102.51 2nqo n GLY 437 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2nqo n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqo n GLY 438 N -0.07 3.58 0.08 -0.02 0.00 -1.26 -2.26 105.19 105.24 2nqo n GLY 438 Ca -0.01 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 2nqo n GLY 438 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nqo h ASP 439 N 0.00 0.08 -0.78 1.61 3.32 -1.98 -3.19 116.42 115.49 2nqo h ASP 439 Ca 0.00 -0.76 0.18 0.00 0.02 0.00 0.00 57.03 56.47 2nqo h ASP 439 Cb 0.00 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 39.39 2nqo h ASP 439 CO 0.00 0.83 0.06 0.00 -1.72 0.00 0.00 179.24 178.42 2nqo h ALA 440 N 0.25 0.89 -0.63 3.45 0.00 -2.02 -1.53 119.26 119.68 2nqo h ALA 440 Ca -0.01 0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 2nqo h ALA 440 Cb 0.84 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 2nqo h ALA 440 CO 0.02 -0.42 0.24 -1.71 0.00 0.00 0.00 179.25 177.37 2nqo n ASN 441 N -5.31 3.33 -4.86 0.00 5.15 -1.26 -4.99 115.26 107.32 2nqo n ASN 441 Ca 0.15 -3.60 -0.31 0.00 -0.60 0.00 0.00 54.58 50.22 2nqo n ASN 441 Cb 0.51 -0.72 0.01 0.00 -0.53 0.00 0.00 39.78 39.05 2nqo n ASN 441 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nqo s ALA 442 N -3.21 3.03 0.33 5.20 0.00 -0.58 -0.70 121.76 125.82 2nqo s ALA 442 Ca 0.50 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 2nqo s ALA 442 Cb 0.43 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 20.35 2nqo s ALA 442 CO 0.06 -0.67 1.19 0.42 0.00 0.00 0.00 175.76 176.76 2nqo s ILE 443 N -3.02 3.12 -0.19 0.00 1.01 -1.26 -4.86 121.20 116.01 2nqo s ILE 443 Ca 0.56 1.09 -0.16 0.00 0.00 0.00 0.00 60.65 62.14 2nqo s ILE 443 Cb -0.11 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.73 2nqo s ILE 443 CO 0.49 0.23 0.49 -1.61 0.00 0.00 0.00 174.94 174.54 2nqo s GLU 444 N -1.76 0.56 0.26 2.79 2.02 -1.26 -5.10 118.70 116.21 2nqo s GLU 444 Ca 0.49 0.73 -0.30 0.00 0.02 0.00 0.00 54.97 55.90 2nqo s GLU 444 Cb -0.35 0.23 -0.14 0.00 0.10 0.00 0.00 34.13 33.98 2nqo s GLU 444 CO 0.45 -0.09 1.28 0.00 0.02 0.00 0.00 175.26 176.92 2nqo n ALA 445 N 3.09 0.67 -0.20 5.21 0.00 -1.26 -1.67 120.51 126.35 2nqo n ALA 445 Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2nqo n ALA 445 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2nqo n ALA 445 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2nqo n ASN 446 N 1.64 0.00 -4.80 0.00 3.02 -1.26 -4.99 115.26 108.87 2nqo n ASN 446 Ca 0.10 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 2nqo n ASN 446 Cb 0.32 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 2nqo n ASN 446 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2nqo s LYS 447 N -0.11 3.64 -0.23 3.52 2.20 -0.67 -5.04 119.74 123.06 2nqo s LYS 447 Ca 0.00 1.26 -0.11 0.00 -0.36 0.00 0.00 55.97 56.76 2nqo s LYS 447 Cb 0.00 -2.08 -0.05 0.00 -1.51 0.00 0.00 37.83 34.19 2nqo s LYS 447 CO 0.00 -0.55 0.17 1.03 -0.36 0.00 0.00 175.35 175.64 2nqo s ARG 448 N -3.63 4.09 0.41 4.03 0.52 -1.26 -4.89 118.95 118.22 2nqo s ARG 448 Ca 0.65 -0.24 -0.26 0.00 -0.52 0.00 0.00 55.73 55.36 2nqo s ARG 448 Cb -0.15 -3.52 -0.09 0.00 0.52 0.00 0.00 34.95 31.70 2nqo s ARG 448 CO 0.27 0.09 1.38 -1.25 0.02 0.00 0.00 175.30 175.81 2nqo s PRO 449 N 0.98 3.90 0.31 3.54 0.04 -1.26 -4.93 135.00 137.58 2nqo s PRO 449 Ca 0.08 2.33 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 2nqo s PRO 449 Cb -0.13 -2.77 -0.11 0.00 0.04 0.00 0.00 34.50 31.53 2nqo s PRO 449 CO 0.04 -0.61 1.54 -1.17 0.04 0.00 0.00 177.00 176.84 2nqo s LEU 450 N -2.45 4.35 0.36 -3.56 2.96 -1.25 -4.95 118.68 114.13 2nqo s LEU 450 Ca 0.57 2.92 0.09 0.00 -0.22 0.00 0.00 54.13 57.49 2nqo s LEU 450 Cb -0.42 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.57 2nqo s LEU 450 CO 0.54 -0.86 0.01 -0.55 -1.32 0.00 0.00 176.35 174.17 2nqo s SER 451 N 0.30 4.07 0.00 3.68 0.15 -1.26 -4.74 113.70 115.90 2nqo s SER 451 Ca 0.60 -1.09 0.07 0.00 0.70 0.00 0.00 55.95 56.23 2nqo s SER 451 Cb -0.46 -0.47 0.05 0.00 -1.71 0.00 0.00 66.02 63.42 2nqo s SER 451 CO 0.51 -0.29 0.69 -1.20 1.20 0.00 0.00 173.24 174.15 2nqo n SER 452 N -0.95 1.50 -4.68 5.45 7.64 -1.26 -5.02 113.62 116.30 2nqo n SER 452 Ca -0.04 -1.25 -0.45 0.00 1.01 0.00 0.00 58.87 58.14 2nqo n SER 452 Cb 0.63 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.87 2nqo n SER 452 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2nqo n MET 453 N 0.28 2.24 -2.82 1.43 2.81 -1.26 -4.14 117.12 115.66 2nqo n MET 453 Ca 0.04 0.81 -0.23 0.00 -1.81 0.00 0.00 57.70 56.51 2nqo n MET 453 Cb 0.17 -2.59 -0.02 0.00 -0.71 0.00 0.00 33.22 30.07 2nqo n MET 453 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2nqo n SER 454 N 3.56 3.51 -4.71 7.83 7.64 -1.26 -5.04 113.62 125.14 2nqo n SER 454 Ca 0.17 -3.45 -0.42 0.00 1.01 0.00 0.00 58.87 56.18 2nqo n SER 454 Cb 0.30 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2nqo n SER 454 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2nqo s PRO 455 N -3.26 4.18 0.07 1.43 0.04 -1.26 -4.62 135.00 131.57 2nqo s PRO 455 Ca 0.44 2.46 0.02 0.00 0.04 0.00 0.00 61.00 63.97 2nqo s PRO 455 Cb 0.35 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 2nqo s PRO 455 CO -0.12 -0.70 -0.08 0.99 0.04 0.00 0.00 177.00 177.13 2nqo s THR 456 N 1.56 0.65 -0.06 1.26 2.01 0.47 -5.02 115.64 116.51 2nqo s THR 456 Ca 0.73 -1.47 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2nqo s THR 456 Cb -0.45 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2nqo s THR 456 CO 0.32 -0.58 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.99 2nqo s ILE 457 N -2.33 0.62 -0.13 1.82 1.01 -1.26 -1.14 121.20 119.78 2nqo s ILE 457 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 2nqo s ILE 457 Cb -0.03 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2nqo s ILE 457 CO -0.02 0.26 0.02 -0.69 0.00 0.00 0.00 174.94 174.52 2nqo s VAL 458 N 1.16 4.48 0.17 2.92 1.01 0.95 -4.96 120.40 126.13 2nqo s VAL 458 Ca -0.07 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.85 2nqo s VAL 458 Cb -0.14 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2nqo s VAL 458 CO -0.01 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.63 2nqo s LEU 459 N -0.26 2.40 -0.39 3.92 1.43 -1.26 0.14 118.68 124.66 2nqo s LEU 459 Ca 0.07 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.35 2nqo s LEU 459 Cb -0.12 -1.09 0.15 0.00 0.03 0.00 0.00 46.19 45.16 2nqo s LEU 459 CO 0.02 0.10 0.26 -1.59 0.23 0.00 0.00 176.35 175.36 2nqo s LYS 460 N -2.51 0.82 0.00 1.70 -2.85 -0.44 -4.77 119.74 111.70 2nqo s LYS 460 Ca 0.17 -1.70 0.00 0.00 -1.00 0.00 0.00 55.97 53.44 2nqo s LYS 460 Cb -0.08 -1.57 0.00 0.00 -2.06 0.00 0.00 37.83 34.12 2nqo s LYS 460 CO 0.08 -1.25 0.00 0.09 0.10 0.00 0.00 175.35 174.37 2nqo n ASN 461 N 3.59 -0.73 -1.66 0.03 3.02 -1.26 -4.05 115.26 114.20 2nqo n ASN 461 Ca 0.16 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.52 2nqo n ASN 461 Cb 0.39 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.31 2nqo n ASN 461 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2nqo n ASN 462 N 0.50 -5.15 -4.31 6.41 3.02 -1.26 -4.95 115.26 109.51 2nqo n ASN 462 Ca 0.00 0.43 -0.32 0.00 -0.03 0.00 0.00 54.58 54.66 2nqo n ASN 462 Cb 0.18 -4.55 -0.16 0.00 -0.61 0.00 0.00 39.78 34.64 2nqo n ASN 462 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2nqo s LYS 463 N -3.80 2.79 0.05 3.52 2.47 -1.26 -5.08 119.74 118.43 2nqo s LYS 463 Ca 0.00 -0.83 -0.35 0.00 -1.56 0.00 0.00 55.97 53.23 2nqo s LYS 463 Cb 0.00 -2.31 -0.14 0.00 -1.46 0.00 0.00 37.83 33.93 2nqo s LYS 463 CO 0.00 0.35 1.65 0.28 0.16 0.00 0.00 175.35 177.79 2nqo n VAL 464 N 3.07 0.19 -0.03 4.02 0.31 -1.26 -1.32 118.33 123.31 2nqo n VAL 464 Ca -0.18 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.06 2nqo n VAL 464 Cb 0.52 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.89 2nqo n VAL 464 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2nqo n PHE 465 N 4.40 0.00 -3.89 3.52 7.35 0.12 -4.47 117.46 124.50 2nqo n PHE 465 Ca 0.19 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.77 2nqo n PHE 465 Cb 0.27 -0.23 -0.12 0.00 0.35 0.00 0.00 39.48 39.75 2nqo n PHE 465 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2nqo s LEU 466 N -5.78 1.83 -0.19 -2.13 1.43 -0.55 -1.64 118.68 111.64 2nqo s LEU 466 Ca -0.09 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2nqo s LEU 466 Cb 0.03 0.31 0.05 0.00 0.03 0.00 0.00 46.19 46.61 2nqo s LEU 466 CO 0.13 -0.19 -0.04 -0.69 0.23 0.00 0.00 176.35 175.79 2nqo s VAL 467 N -0.74 1.14 0.03 -1.59 1.01 -0.19 -0.03 120.40 120.03 2nqo s VAL 467 Ca -0.08 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2nqo s VAL 467 Cb -0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2nqo s VAL 467 CO 0.00 0.02 0.09 0.54 0.00 0.00 0.00 175.10 175.75 2nqo s VAL 468 N 1.60 0.13 0.01 2.92 0.11 -0.29 -0.96 120.40 123.91 2nqo s VAL 468 Ca -0.01 -1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 57.70 2nqo s VAL 468 Cb -0.16 -0.80 0.11 0.00 -1.53 0.00 0.00 36.38 34.00 2nqo s VAL 468 CO -0.07 -0.58 1.25 -0.83 -3.33 0.00 0.00 175.10 171.54 2nqo s GLY 469 N -1.99 -0.30 -0.08 6.54 0.00 -1.26 -0.40 107.32 109.83 2nqo s GLY 469 Ca -0.07 0.44 -0.31 0.00 0.00 0.00 0.00 44.72 44.79 2nqo s GLY 469 CO -0.04 1.54 1.00 -0.45 0.00 0.00 0.00 173.10 175.15 2nqo s SER 470 N -3.20 -0.29 0.63 1.64 0.15 -1.26 -3.63 113.70 107.75 2nqo s SER 470 Ca 0.18 0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.89 2nqo s SER 470 Cb 0.03 0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.73 2nqo s SER 470 CO -0.02 -0.48 0.87 -2.16 1.20 0.00 0.00 173.24 172.65 2nqo s PRO 471 N -2.76 2.06 0.00 5.44 0.04 -1.26 -4.68 135.00 133.84 2nqo s PRO 471 Ca 0.06 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 59.84 2nqo s PRO 471 Cb -0.01 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2nqo s PRO 471 CO -0.07 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.29 2nqo n GLY 472 N -2.52 1.26 7.00 0.56 0.00 -1.26 -4.20 105.19 106.03 2nqo n GLY 472 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2nqo n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqo n GLY 473 N 0.00 3.06 0.36 -0.02 0.00 -1.26 -0.91 105.19 106.42 2nqo n GLY 473 Ca 0.00 -0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.15 2nqo n GLY 473 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nqo h SER 474 N 0.29 0.00 0.53 1.61 4.64 -1.94 -1.40 113.55 117.28 2nqo h SER 474 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nqo h SER 474 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2nqo h SER 474 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 2nqo n ARG 475 N -4.24 0.29 -0.02 4.77 3.00 -0.09 -3.79 116.66 116.58 2nqo n ARG 475 Ca 0.07 0.06 -0.10 0.00 -0.01 0.00 0.00 57.85 57.87 2nqo n ARG 475 Cb 0.52 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.44 2nqo n ARG 475 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2nqo h ILE 476 N 0.00 0.95 -0.43 0.55 2.04 -1.30 -1.01 117.51 118.31 2nqo h ILE 476 Ca 0.00 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2nqo h ILE 476 Cb 0.27 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 2nqo h ILE 476 CO 0.00 0.02 0.07 0.40 0.00 0.00 0.00 178.15 178.64 2nqo h ILE 477 N 0.11 0.75 -0.13 -0.67 2.04 -1.72 -1.34 117.51 116.56 2nqo h ILE 477 Ca 0.07 -0.07 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 2nqo h ILE 477 Cb 0.05 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2nqo h ILE 477 CO -0.08 0.04 -0.70 0.71 0.00 0.00 0.00 178.15 178.11 2nqo h THR 478 N 0.19 1.33 0.09 -0.27 1.35 -1.77 -2.63 112.91 111.21 2nqo h THR 478 Ca 0.21 -2.00 -0.00 0.00 -0.55 0.00 0.00 66.41 64.07 2nqo h THR 478 Cb 0.27 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2nqo h THR 478 CO -0.29 0.62 -0.04 0.74 -0.25 0.00 0.00 175.52 176.30 2nqo h THR 479 N 0.41 0.92 -0.46 6.82 2.02 -0.79 -1.78 112.91 120.05 2nqo h THR 479 Ca -0.03 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2nqo h THR 479 Cb 1.29 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2nqo h THR 479 CO 0.13 0.01 0.28 0.58 0.37 0.00 0.00 175.52 176.89 2nqo h VAL 480 N -0.14 1.14 -0.10 3.16 2.07 -1.28 -2.42 116.25 118.68 2nqo h VAL 480 Ca -0.01 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2nqo h VAL 480 Cb 0.11 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2nqo h VAL 480 CO 0.02 0.14 -0.24 0.17 0.02 0.00 0.00 177.57 177.68 2nqo h LEU 481 N 0.61 0.16 -0.58 2.57 8.10 -1.38 -1.98 115.31 122.81 2nqo h LEU 481 Ca 0.16 -0.04 -0.13 0.00 0.11 0.00 0.00 57.88 57.98 2nqo h LEU 481 Cb -0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.15 2nqo h LEU 481 CO -0.03 0.42 -0.25 1.56 -4.11 0.00 0.00 178.44 176.03 2nqo h GLN 482 N 0.15 0.87 -0.11 0.17 4.20 -0.95 0.10 115.11 119.55 2nqo h GLN 482 Ca 0.03 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2nqo h GLN 482 Cb 0.52 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2nqo h GLN 482 CO 0.04 1.02 0.04 0.28 -0.67 0.00 0.00 178.83 179.53 2nqo h VAL 483 N 0.75 1.16 -0.43 -0.54 2.07 -1.10 0.25 116.25 118.40 2nqo h VAL 483 Ca 0.09 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2nqo h VAL 483 Cb 0.79 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 2nqo h VAL 483 CO 0.07 0.14 0.19 0.40 0.02 0.00 0.00 177.57 178.38 2nqo h ILE 484 N 0.00 0.92 -0.50 4.57 2.04 -1.20 -2.31 117.51 121.03 2nqo h ILE 484 Ca 0.04 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2nqo h ILE 484 Cb 0.19 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2nqo h ILE 484 CO -0.00 0.07 0.32 -1.28 0.00 0.00 0.00 178.15 177.26 2nqo h SER 485 N 0.38 0.58 -0.81 1.72 0.87 -0.51 -1.10 113.55 114.68 2nqo h SER 485 Ca 0.20 -0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.82 2nqo h SER 485 Cb 0.15 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 2nqo h SER 485 CO -0.17 0.43 0.53 0.78 -0.53 0.00 0.00 176.83 177.87 2nqo h ASN 486 N 0.68 0.69 0.23 6.23 2.35 0.03 0.71 115.58 126.49 2nqo h ASN 486 Ca 0.18 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2nqo h ASN 486 Cb -0.06 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2nqo h ASN 486 CO -0.04 0.41 -0.11 0.58 -1.65 0.00 0.00 177.43 176.62 2nqo h VAL 487 N 0.76 0.00 -0.33 2.81 2.07 -1.00 -1.89 116.25 118.66 2nqo h VAL 487 Ca 0.37 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2nqo h VAL 487 Cb 0.42 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2nqo h VAL 487 CO -0.14 0.00 0.08 0.40 0.02 0.00 0.00 177.57 177.93 2nqo h ILE 488 N -1.07 1.22 0.18 4.57 2.04 -1.07 -0.30 117.51 123.08 2nqo h ILE 488 Ca -0.03 -0.74 -0.28 0.00 1.00 0.00 0.00 64.86 64.81 2nqo h ILE 488 Cb 0.23 1.07 0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2nqo h ILE 488 CO 0.05 0.25 -1.30 0.44 0.00 0.00 0.00 178.15 177.58 2nqo h ASP 489 N 0.38 0.59 -0.27 1.72 3.32 0.25 -3.38 116.42 119.03 2nqo h ASP 489 Ca 0.10 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.23 2nqo h ASP 489 Cb 0.29 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2nqo h ASP 489 CO 0.00 1.61 0.00 -1.22 -1.72 0.00 0.00 179.24 177.91 2nqo n TYR 490 N -3.87 0.34 -3.91 4.55 4.01 -1.06 -4.99 117.16 112.23 2nqo n TYR 490 Ca -0.19 -0.25 -0.29 0.00 -0.16 0.00 0.00 57.90 57.01 2nqo n TYR 490 Cb 0.97 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 40.01 2nqo n TYR 490 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2nqo n ASN 491 N 0.97 -4.10 -4.87 7.72 5.15 -0.12 -4.94 115.26 115.07 2nqo n ASN 491 Ca 0.13 -0.81 -0.31 0.00 -0.60 0.00 0.00 54.58 53.00 2nqo n ASN 491 Cb 0.46 -3.81 -0.04 0.00 -0.53 0.00 0.00 39.78 35.86 2nqo n ASN 491 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2nqo s MET 492 N -6.56 3.83 0.82 1.20 -1.94 -0.74 -4.99 119.30 110.93 2nqo s MET 492 Ca 0.56 0.57 -0.12 0.00 -1.71 0.00 0.00 55.69 54.99 2nqo s MET 492 Cb -0.28 -2.36 0.09 0.00 2.01 0.00 0.00 34.83 34.28 2nqo s MET 492 CO 0.84 -0.04 1.18 0.54 -0.01 0.00 0.00 175.02 177.52 2nqo s ASN 493 N -3.02 4.38 0.38 3.03 2.20 -1.26 -4.45 114.94 116.19 2nqo s ASN 493 Ca 0.53 0.80 0.08 0.00 -0.94 0.00 0.00 52.86 53.33 2nqo s ASN 493 Cb -0.10 -1.30 0.82 0.00 -2.00 0.00 0.00 41.25 38.67 2nqo s ASN 493 CO 0.29 -1.99 1.95 -0.29 -2.94 0.00 0.00 177.10 174.12 2nqo h ILE 494 N -1.11 0.96 -0.25 0.54 6.09 -1.96 0.05 117.51 121.83 2nqo h ILE 494 Ca -0.47 -0.23 -0.03 0.00 -1.37 0.00 0.00 64.86 62.76 2nqo h ILE 494 Cb 1.33 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.85 2nqo h ILE 494 CO 0.65 0.12 0.02 -1.28 -3.07 0.00 0.00 178.15 174.59 2nqo h SER 495 N 0.67 0.41 -0.58 2.19 0.87 -1.92 -1.79 113.55 113.40 2nqo h SER 495 Ca 0.33 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2nqo h SER 495 Cb 0.40 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2nqo h SER 495 CO -0.11 0.60 0.15 -0.33 -0.53 0.00 0.00 176.83 176.61 2nqo h GLU 496 N 0.21 0.93 -0.89 2.24 5.08 -1.79 -1.33 114.58 119.03 2nqo h GLU 496 Ca 0.07 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2nqo h GLU 496 Cb 0.38 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2nqo h GLU 496 CO 0.01 0.85 0.58 0.00 -1.00 0.00 0.00 179.01 179.45 2nqo h ALA 497 N 1.04 1.16 -0.11 3.43 0.00 -0.87 -0.91 119.26 123.00 2nqo h ALA 497 Ca 0.18 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2nqo h ALA 497 Cb 0.33 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2nqo h ALA 497 CO -0.00 0.46 -0.70 0.28 0.00 0.00 0.00 179.25 179.29 2nqo h VAL 498 N 1.15 1.32 0.00 0.00 2.07 -1.14 -3.31 116.25 116.34 2nqo h VAL 498 Ca 0.35 -1.96 -0.11 0.00 0.82 0.00 0.00 66.70 65.79 2nqo h VAL 498 Cb -0.04 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2nqo h VAL 498 CO -0.10 0.61 -0.52 0.28 0.02 0.00 0.00 177.57 177.85 2nqo h SER 499 N 0.34 0.00 -2.81 0.57 0.02 -1.01 -3.46 113.55 107.19 2nqo h SER 499 Ca -0.06 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.30 2nqo h SER 499 Cb 1.35 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.99 2nqo h SER 499 CO 0.14 0.52 0.41 0.00 -1.14 0.00 0.00 176.83 176.77 2nqo n ALA 500 N -2.39 0.66 -1.60 3.77 0.00 -0.37 -4.90 120.51 115.69 2nqo n ALA 500 Ca -0.01 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.44 2nqo n ALA 500 Cb 0.57 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.88 2nqo n ALA 500 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2nqo n PRO 501 N 1.07 0.97 -4.39 0.00 -0.02 -1.26 -5.01 135.00 126.36 2nqo n PRO 501 Ca 0.09 0.37 -0.27 0.00 -2.02 0.00 0.00 63.50 61.67 2nqo n PRO 501 Cb 0.33 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 2nqo n PRO 501 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2nqo s ARG 502 N -2.54 1.40 0.40 -0.52 0.52 -1.26 -5.07 118.95 111.87 2nqo s ARG 502 Ca 0.72 -1.41 0.07 0.00 -0.52 0.00 0.00 55.73 54.59 2nqo s ARG 502 Cb -0.45 -1.75 -0.08 0.00 0.52 0.00 0.00 34.95 33.20 2nqo s ARG 502 CO 0.50 0.39 0.02 -0.59 0.02 0.00 0.00 175.30 175.64 2nqo s PHE 503 N -1.44 2.44 -0.22 -0.53 -0.71 -1.26 -3.81 117.98 112.45 2nqo s PHE 503 Ca 0.16 -0.71 -0.16 0.00 -1.04 0.00 0.00 56.93 55.18 2nqo s PHE 503 Cb -0.09 -1.71 0.06 0.00 -1.21 0.00 0.00 43.02 40.07 2nqo s PHE 503 CO 0.07 0.39 0.55 -1.58 -1.34 0.00 0.00 175.22 173.32 2nqo s HIS 504 N -2.79 -0.71 -0.07 3.49 2.46 0.68 -4.80 115.29 113.54 2nqo s HIS 504 Ca 0.35 1.59 -0.01 0.00 0.47 0.00 0.00 55.06 57.46 2nqo s HIS 504 Cb 0.10 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.90 2nqo s HIS 504 CO 0.18 -0.36 0.00 1.41 -2.47 0.00 0.00 174.74 173.50 2nqo s MET 505 N 0.87 0.60 -0.17 2.88 0.00 -1.26 -0.49 119.30 121.73 2nqo s MET 505 Ca -0.05 0.10 0.14 0.00 0.00 0.00 0.00 55.69 55.89 2nqo s MET 505 Cb -0.05 -0.96 0.38 0.00 0.00 0.00 0.00 34.83 34.20 2nqo s MET 505 CO -0.07 -0.29 1.19 0.00 0.00 0.00 0.00 175.02 175.85 2nqo n GLN 506 N 5.10 1.33 0.00 4.11 10.64 -1.26 -5.01 117.38 132.29 2nqo n GLN 506 Ca -0.08 -2.97 0.00 0.00 -1.83 0.00 0.00 57.00 52.12 2nqo n GLN 506 Cb 0.50 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 2nqo n GLN 506 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 2nqo n TRP 507 N -1.01 0.00 -3.87 2.61 -0.00 -1.26 -4.61 117.44 109.31 2nqo n TRP 507 Ca 0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.43 2nqo n TRP 507 Cb 0.72 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 31.86 2nqo n TRP 507 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2nqo s LEU 508 N 0.00 0.87 0.63 5.87 1.43 -1.26 -2.72 118.68 123.50 2nqo s LEU 508 Ca 0.00 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 2nqo s LEU 508 Cb 0.00 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 2nqo s LEU 508 CO 0.00 -0.15 1.17 -2.16 0.23 0.00 0.00 176.35 175.44 2nqo s PRO 509 N 1.76 2.81 -1.20 1.29 0.04 -1.26 -4.72 135.00 133.72 2nqo s PRO 509 Ca 0.03 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 2nqo s PRO 509 Cb -0.13 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.56 2nqo s PRO 509 CO -0.05 -1.30 1.62 0.34 0.04 0.00 0.00 177.00 177.64 2nqo s ASP 510 N -1.97 6.74 0.03 6.66 -1.08 -1.10 -4.47 116.67 121.47 2nqo s ASP 510 Ca 0.73 -2.15 -0.20 0.00 -0.52 0.00 0.00 52.55 50.42 2nqo s ASP 510 Cb -0.26 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 38.67 2nqo s ASP 510 CO 0.37 -1.26 0.46 -1.83 0.52 0.00 0.00 175.17 173.43 2nqo s GLU 511 N 4.30 0.94 -0.46 4.34 -1.05 -1.26 -4.64 118.70 120.88 2nqo s GLU 511 Ca 0.50 -0.24 -0.12 0.00 -0.15 0.00 0.00 54.97 54.96 2nqo s GLU 511 Cb 0.02 0.43 0.09 0.00 -0.44 0.00 0.00 34.13 34.22 2nqo s GLU 511 CO 0.01 -0.32 0.34 -1.17 0.95 0.00 0.00 175.26 175.08 2nqo s LEU 512 N -1.84 5.49 -0.02 1.83 2.96 -0.40 -4.50 118.68 122.20 2nqo s LEU 512 Ca -0.07 -1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 52.02 2nqo s LEU 512 Cb -0.01 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2nqo s LEU 512 CO -0.00 -0.63 0.94 -0.60 -1.32 0.00 0.00 176.35 174.74 2nqo s ARG 513 N 1.51 4.53 0.40 1.98 3.52 0.35 -1.82 118.95 129.41 2nqo s ARG 513 Ca 0.04 1.33 0.04 0.00 -0.13 0.00 0.00 55.73 57.01 2nqo s ARG 513 Cb -0.25 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 2nqo s ARG 513 CO 0.03 -0.06 0.13 0.96 -0.81 0.00 0.00 175.30 175.55 2nqo s ILE 514 N 1.09 0.61 0.19 4.11 -4.36 -0.40 -0.23 121.20 122.21 2nqo s ILE 514 Ca 0.49 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.97 2nqo s ILE 514 Cb -0.20 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.08 2nqo s ILE 514 CO 0.25 0.00 -0.06 -1.61 0.24 0.00 0.00 174.94 173.77 2nqo s GLU 515 N -3.72 2.19 0.24 0.37 2.02 -1.25 -1.90 118.70 116.65 2nqo s GLU 515 Ca 0.26 -1.26 -0.31 0.00 0.02 0.00 0.00 54.97 53.67 2nqo s GLU 515 Cb 0.03 -2.21 -0.13 0.00 0.10 0.00 0.00 34.13 31.93 2nqo s GLU 515 CO 0.15 0.43 1.52 1.17 0.02 0.00 0.00 175.26 178.55 2nqo n LYS 516 N -0.18 2.33 -0.90 1.61 4.81 -1.26 -0.58 118.16 124.00 2nqo n LYS 516 Ca -0.10 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 2nqo n LYS 516 Cb 0.56 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.05 2nqo n LYS 516 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2nqo n PHE 517 N 2.37 0.00 0.15 5.64 3.72 -1.26 -4.85 117.46 123.23 2nqo n PHE 517 Ca 0.12 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.61 2nqo n PHE 517 Cb 0.33 -1.23 0.06 0.00 -0.94 0.00 0.00 39.48 37.70 2nqo n PHE 517 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2nqo h GLY 518 N 0.00 0.00 -7.20 1.37 0.00 -1.25 -3.45 103.07 92.53 2nqo h GLY 518 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2nqo h GLY 518 CO 0.00 0.00 -0.71 -0.29 0.00 0.00 0.00 176.54 175.54 2nqo s MET 519 N -3.20 -0.05 0.76 4.80 -2.45 -1.26 -4.83 119.30 113.07 2nqo s MET 519 Ca 0.03 0.42 -0.11 0.00 -1.25 0.00 0.00 55.69 54.77 2nqo s MET 519 Cb 0.07 -0.47 0.05 0.00 1.25 0.00 0.00 34.83 35.73 2nqo s MET 519 CO 0.74 -0.33 1.10 -1.25 1.05 0.00 0.00 175.02 176.32 2nqo s PRO 520 N 2.20 2.30 0.24 4.11 0.04 -1.26 -4.75 135.00 137.87 2nqo s PRO 520 Ca 0.04 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 2nqo s PRO 520 Cb -0.12 -1.90 0.42 0.00 0.04 0.00 0.00 34.50 32.94 2nqo s PRO 520 CO -0.04 -1.62 1.67 0.00 0.04 0.00 0.00 177.00 177.05 2nqo h ALA 521 N -0.95 0.83 -0.73 8.56 0.00 -2.01 -0.94 119.26 124.02 2nqo h ALA 521 Ca -0.44 0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.75 2nqo h ALA 521 Cb 1.24 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 2nqo h ALA 521 CO 0.51 -0.38 0.38 -0.44 0.00 0.00 0.00 179.25 179.32 2nqo h ASP 522 N 0.19 0.51 -0.09 0.00 5.19 -1.99 0.37 116.42 120.60 2nqo h ASP 522 Ca 0.39 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 2nqo h ASP 522 Cb 0.67 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2nqo h ASP 522 CO -0.55 0.30 -0.24 0.58 -3.12 0.00 0.00 179.24 176.20 2nqo h VAL 523 N 0.65 1.40 -0.59 -1.35 2.07 -1.72 -2.66 116.25 114.05 2nqo h VAL 523 Ca 0.35 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.33 2nqo h VAL 523 Cb 0.35 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2nqo h VAL 523 CO -0.26 0.45 0.36 0.11 0.02 0.00 0.00 177.57 178.26 2nqo h LYS 524 N -0.14 0.69 -0.46 1.57 1.57 -0.79 -1.10 116.57 117.91 2nqo h LYS 524 Ca -0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2nqo h LYS 524 Cb 0.85 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2nqo h LYS 524 CO 0.05 0.46 0.31 -0.44 -0.57 0.00 0.00 179.45 179.26 2nqo h ASP 525 N 0.71 0.53 -0.63 0.86 3.32 -0.27 0.64 116.42 121.57 2nqo h ASP 525 Ca 0.24 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 2nqo h ASP 525 Cb 0.02 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2nqo h ASP 525 CO -0.10 0.38 0.15 0.78 -1.72 0.00 0.00 179.24 178.73 2nqo h ASN 526 N 0.62 0.96 -0.57 6.45 2.35 -1.13 -1.21 115.58 123.05 2nqo h ASN 526 Ca 0.17 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 2nqo h ASN 526 Cb -0.07 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 2nqo h ASN 526 CO -0.04 0.95 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.57 2nqo h LEU 527 N 0.93 1.03 -0.72 1.61 3.38 -0.95 -2.42 115.31 118.17 2nqo h LEU 527 Ca 0.20 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2nqo h LEU 527 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2nqo h LEU 527 CO 0.00 1.12 0.42 0.74 0.09 0.00 0.00 178.44 180.81 2nqo h THR 528 N 0.93 1.21 0.00 0.22 2.02 -0.68 -1.35 112.91 115.27 2nqo h THR 528 Ca 0.15 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2nqo h THR 528 Cb 0.62 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2nqo h THR 528 CO 0.04 0.23 -0.06 0.11 0.37 0.00 0.00 175.52 176.21 2nqo h LYS 529 N 0.99 0.00 0.00 6.66 1.79 -0.97 -0.29 116.57 124.75 2nqo h LYS 529 Ca 0.26 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 2nqo h LYS 529 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2nqo h LYS 529 CO -0.04 0.06 -0.13 0.52 -1.08 0.00 0.00 179.45 178.78 2nqo h MET 530 N 0.00 0.00 0.00 3.15 2.86 -0.77 -3.47 114.93 116.70 2nqo h MET 530 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2nqo h MET 530 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2nqo h MET 530 CO 0.01 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.52 2nqo n GLY 531 N 0.92 0.69 3.75 8.32 0.00 -0.12 -5.11 105.19 113.64 2nqo n GLY 531 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2nqo n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nqo s TYR 532 N -1.65 3.80 -0.62 1.61 2.02 -0.93 -5.00 117.35 116.58 2nqo s TYR 532 Ca 0.00 1.81 -0.14 0.00 -0.37 0.00 0.00 57.07 58.37 2nqo s TYR 532 Cb 0.00 -3.11 0.16 0.00 -0.40 0.00 0.00 41.96 38.60 2nqo s TYR 532 CO 0.00 0.01 0.55 -1.14 -1.57 0.00 0.00 175.55 173.40 2nqo s GLN 533 N -1.10 3.07 0.15 -0.62 2.00 -1.26 -4.26 119.66 117.63 2nqo s GLN 533 Ca 0.43 -1.99 -0.30 0.00 -2.00 0.00 0.00 55.36 51.51 2nqo s GLN 533 Cb -0.28 -4.25 -0.07 0.00 0.80 0.00 0.00 33.01 29.21 2nqo s GLN 533 CO 0.35 -1.29 1.02 0.42 -0.50 0.00 0.00 175.29 175.29 2nqo s ILE 534 N 1.05 4.19 -0.01 -2.34 1.01 -1.26 -1.28 121.20 122.55 2nqo s ILE 534 Ca 0.09 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.61 2nqo s ILE 534 Cb -0.23 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.06 2nqo s ILE 534 CO -0.01 0.31 -0.00 0.68 0.00 0.00 0.00 174.94 175.92 2nqo s VAL 535 N -0.18 0.10 -0.22 2.92 -7.23 -0.76 -4.92 120.40 110.11 2nqo s VAL 535 Ca 0.48 0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.56 2nqo s VAL 535 Cb -0.26 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2nqo s VAL 535 CO 0.32 0.08 0.30 -0.89 -0.31 0.00 0.00 175.10 174.60 2nqo s THR 536 N 0.55 5.26 0.38 5.32 2.01 -1.26 -1.28 115.64 126.62 2nqo s THR 536 Ca -0.05 0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2nqo s THR 536 Cb -0.08 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2nqo s THR 536 CO -0.01 0.29 0.16 -0.54 -0.69 0.00 0.00 174.62 173.83 2nqo s LYS 537 N 1.20 1.84 0.61 4.92 1.02 -0.80 -4.96 119.74 123.58 2nqo s LYS 537 Ca 0.14 -2.10 -0.18 0.00 0.02 0.00 0.00 55.97 53.85 2nqo s LYS 537 Cb -0.14 -0.37 -0.06 0.00 -0.52 0.00 0.00 37.83 36.74 2nqo s LYS 537 CO 0.06 -0.50 0.69 -2.30 -0.92 0.00 0.00 175.35 172.39 2nqo n PRO 538 N -0.81 0.60 -1.61 -1.68 -0.02 -1.26 -4.39 135.00 125.82 2nqo n PRO 538 Ca -0.02 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2nqo n PRO 538 Cb 0.64 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.25 2nqo n PRO 538 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2nqo n VAL 539 N -1.87 2.89 -3.75 -1.45 0.24 -1.26 -4.91 118.33 108.22 2nqo n VAL 539 Ca 0.12 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.56 2nqo n VAL 539 Cb 0.48 -1.17 -0.12 0.00 -1.47 0.00 0.00 33.84 31.56 2nqo n VAL 539 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2nqo s MET 540 N -2.31 3.78 0.24 7.34 -1.94 -1.26 -5.04 119.30 120.12 2nqo s MET 540 Ca 0.68 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 2nqo s MET 540 Cb -0.49 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 32.95 2nqo s MET 540 CO 0.53 -0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.84 2nqo n GLY 541 N 4.74 -2.65 2.73 -0.03 0.00 -1.26 -4.93 105.19 103.79 2nqo n GLY 541 Ca -0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.07 2nqo n GLY 541 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nqo s ASP 542 N -2.37 -0.93 -0.03 1.61 2.15 -1.26 -4.44 116.67 111.39 2nqo s ASP 542 Ca 0.00 -1.09 -0.30 0.00 0.43 0.00 0.00 52.55 51.59 2nqo s ASP 542 Cb 0.00 1.21 -0.02 0.00 -0.30 0.00 0.00 42.92 43.81 2nqo s ASP 542 CO 0.00 -0.03 1.00 -0.69 -0.17 0.00 0.00 175.17 175.27 2nqo s VAL 543 N 0.95 4.82 -0.28 1.11 1.01 -1.26 -4.33 120.40 122.42 2nqo s VAL 543 Ca 0.27 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.30 2nqo s VAL 543 Cb 0.06 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 32.19 2nqo s VAL 543 CO -0.08 0.11 -0.06 0.20 0.00 0.00 0.00 175.10 175.26 2nqo s ASN 544 N 1.05 4.58 0.13 3.32 0.01 -1.24 -2.25 114.94 120.54 2nqo s ASN 544 Ca 0.51 -1.48 0.07 0.00 -0.71 0.00 0.00 52.86 51.24 2nqo s ASN 544 Cb -0.20 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.82 2nqo s ASN 544 CO 0.25 -0.23 -0.15 0.00 -1.51 0.00 0.00 177.10 175.45 2nqo s ALA 545 N 1.10 1.62 -0.03 0.60 0.00 -0.82 -4.11 121.76 120.13 2nqo s ALA 545 Ca -0.06 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.63 2nqo s ALA 545 Cb -0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2nqo s ALA 545 CO -0.05 0.15 -0.17 0.42 0.00 0.00 0.00 175.76 176.12 2nqo s ILE 546 N -2.02 1.35 -0.10 0.00 1.01 -0.14 -1.35 121.20 119.96 2nqo s ILE 546 Ca 0.10 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.07 2nqo s ILE 546 Cb -0.06 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.27 2nqo s ILE 546 CO 0.04 0.39 -0.19 -1.58 0.00 0.00 0.00 174.94 173.60 2nqo s GLN 547 N -0.16 2.49 -0.15 2.79 0.74 0.23 -1.02 119.66 124.58 2nqo s GLN 547 Ca 0.01 -0.68 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 2nqo s GLN 547 Cb -0.09 -1.98 -0.02 0.00 1.10 0.00 0.00 33.01 32.02 2nqo s GLN 547 CO 0.01 0.06 -0.08 0.08 -0.55 0.00 0.00 175.29 174.81 2nqo s VAL 548 N 0.64 3.49 -0.09 1.34 1.01 -0.65 0.21 120.40 126.34 2nqo s VAL 548 Ca -0.13 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2nqo s VAL 548 Cb -0.16 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2nqo s VAL 548 CO 0.04 0.50 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 2nqo s LEU 549 N 0.43 1.94 0.36 3.92 1.43 -0.83 -4.53 118.68 121.39 2nqo s LEU 549 Ca -0.07 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 2nqo s LEU 549 Cb -0.15 -1.21 -0.12 0.00 0.03 0.00 0.00 46.19 44.75 2nqo s LEU 549 CO 0.04 0.12 1.41 -2.65 0.23 0.00 0.00 176.35 175.49 2nqo n PRO 550 N 3.61 2.44 -4.38 1.29 -0.02 -1.26 -2.17 135.00 134.50 2nqo n PRO 550 Ca -0.20 0.86 -0.20 0.00 -2.02 0.00 0.00 63.50 61.93 2nqo n PRO 550 Cb 0.53 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 2nqo n PRO 550 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nqo s LYS 551 N -1.92 1.42 0.33 -0.52 2.20 0.20 -4.86 119.74 116.59 2nqo s LYS 551 Ca 0.55 -1.65 0.08 0.00 -0.36 0.00 0.00 55.97 54.58 2nqo s LYS 551 Cb -0.52 -1.25 0.93 0.00 -1.51 0.00 0.00 37.83 35.48 2nqo s LYS 551 CO 0.62 0.19 1.58 1.79 -0.36 0.00 0.00 175.35 179.18 2nqo h THR 552 N 2.47 0.04 -2.30 3.43 1.35 -2.00 -2.91 112.91 112.98 2nqo h THR 552 Ca -0.39 -0.01 -0.59 0.00 -0.55 0.00 0.00 66.41 64.88 2nqo h THR 552 Cb 1.23 0.01 -0.40 0.00 -1.73 0.00 0.00 68.15 67.26 2nqo h THR 552 CO 0.62 0.00 -0.87 1.17 -0.25 0.00 0.00 175.52 176.20 2nqo n LYS 553 N -5.40 1.20 0.00 4.72 4.81 -1.26 -5.08 118.16 117.15 2nqo n LYS 553 Ca 0.27 -3.75 0.00 0.00 -0.87 0.00 0.00 58.31 53.96 2nqo n LYS 553 Cb 0.91 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 34.22 2nqo n LYS 553 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nqo n GLY 554 N 1.70 0.15 3.20 3.14 0.00 -1.10 -5.05 105.19 107.23 2nqo n GLY 554 Ca 0.25 -2.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 2nqo n GLY 554 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nqo s SER 555 N -4.00 1.74 -0.05 1.61 0.01 -1.26 0.59 113.70 112.34 2nqo s SER 555 Ca 0.00 -0.74 0.05 0.00 1.31 0.00 0.00 55.95 56.57 2nqo s SER 555 Cb 0.00 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2nqo s SER 555 CO 0.00 -0.15 -0.19 0.54 0.41 0.00 0.00 173.24 173.85 2nqo s VAL 556 N -1.89 2.67 -0.22 3.43 0.11 -0.92 -4.90 120.40 118.68 2nqo s VAL 556 Ca 0.04 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2nqo s VAL 556 Cb -0.06 -2.01 -0.02 0.00 -1.53 0.00 0.00 36.38 32.76 2nqo s VAL 556 CO 0.02 0.58 -0.01 -0.36 -3.33 0.00 0.00 175.10 172.00 2nqo s PHE 557 N -0.59 3.00 -0.14 1.54 0.40 -1.26 -1.97 117.98 118.95 2nqo s PHE 557 Ca 0.08 -0.72 -0.03 0.00 -0.60 0.00 0.00 56.93 55.67 2nqo s PHE 557 Cb -0.11 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 2nqo s PHE 557 CO 0.01 -0.43 -0.03 0.71 0.70 0.00 0.00 175.22 176.18 2nqo s TYR 558 N 1.35 3.06 0.21 0.36 2.02 0.13 -4.95 117.35 119.53 2nqo s TYR 558 Ca 0.04 -0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.65 2nqo s TYR 558 Cb -0.14 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2nqo s TYR 558 CO -0.00 0.08 -0.13 0.20 -1.57 0.00 0.00 175.55 174.13 2nqo s GLY 559 N 0.09 1.46 -0.21 0.71 0.00 -1.26 0.76 107.32 108.87 2nqo s GLY 559 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 2nqo s GLY 559 CO 0.02 -1.76 0.51 -0.45 0.00 0.00 0.00 173.10 171.42 2nqo s SER 560 N -3.33 -0.66 0.59 1.64 0.15 -0.46 -4.81 113.70 106.82 2nqo s SER 560 Ca 0.23 1.11 0.02 0.00 0.70 0.00 0.00 55.95 58.01 2nqo s SER 560 Cb -0.00 0.99 0.06 0.00 -1.71 0.00 0.00 66.02 65.35 2nqo s SER 560 CO 0.07 -0.21 0.82 0.42 1.20 0.00 0.00 173.24 175.54 2nqo s THR 561 N 1.44 2.52 -0.16 6.45 -4.23 -1.26 -1.94 115.64 118.46 2nqo s THR 561 Ca -0.09 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.63 2nqo s THR 561 Cb -0.07 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 2nqo s THR 561 CO -0.15 0.00 0.16 -0.62 -0.54 0.00 0.00 174.62 173.47 2nqo s ASP 562 N -4.52 6.31 0.45 3.99 -1.08 -0.95 -4.91 116.67 115.95 2nqo s ASP 562 Ca 0.60 0.36 0.15 0.00 -0.52 0.00 0.00 52.55 53.14 2nqo s ASP 562 Cb -0.09 -2.10 1.01 0.00 -1.46 0.00 0.00 42.92 40.29 2nqo s ASP 562 CO 0.40 0.26 1.99 -0.65 0.52 0.00 0.00 175.17 177.68 2nqo h PRO 563 N 6.02 0.00 0.00 4.34 0.11 -1.91 -1.14 132.00 139.42 2nqo h PRO 563 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2nqo h PRO 563 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2nqo h PRO 563 CO 0.69 0.19 -0.09 0.00 -0.21 0.00 0.00 178.00 178.59 2nqo h ARG 564 N 0.00 0.00 0.00 1.05 3.08 -1.93 -3.53 114.38 113.05 2nqo h ARG 564 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nqo h ARG 564 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2nqo h ARG 564 CO 0.02 0.09 0.00 1.17 -1.07 0.00 0.00 179.97 180.18