#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyt n ARG 411 N 0.00 0.00 -2.15 4.33 3.00 -1.26 -4.71 116.66 115.87 1pyt n ARG 411 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1pyt n ARG 411 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1pyt n ARG 411 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1pyt s PRO 412 N 0.00 3.05 0.47 5.56 0.04 -1.26 -4.96 135.00 137.89 1pyt s PRO 412 Ca 0.00 0.78 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 1pyt s PRO 412 Cb 0.00 -4.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 1pyt s PRO 412 CO 0.00 -2.23 1.17 -1.12 0.04 0.00 0.00 177.00 174.87 1pyt s SER 413 N 6.32 6.11 0.30 6.66 0.01 -1.26 -4.95 113.70 126.88 1pyt s SER 413 Ca 0.66 2.32 -0.29 0.00 1.31 0.00 0.00 55.95 59.94 1pyt s SER 413 Cb -0.15 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.38 1pyt s SER 413 CO 0.26 -0.96 1.41 -0.44 0.41 0.00 0.00 173.24 173.92 1pyt s SER 414 N -1.36 6.62 -0.01 2.44 0.01 -1.26 -4.92 113.70 115.22 1pyt s SER 414 Ca 0.64 2.77 -0.30 0.00 1.31 0.00 0.00 55.95 60.37 1pyt s SER 414 Cb -0.29 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.23 1pyt s SER 414 CO 0.35 -0.69 1.69 -0.60 0.41 0.00 0.00 173.24 174.40 1pyt s ARG 415 N -1.20 4.18 -0.30 12.44 3.52 -1.26 -4.99 118.95 131.35 1pyt s ARG 415 Ca 0.55 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 1pyt s ARG 415 Cb -0.42 -3.91 0.06 0.00 -1.56 0.00 0.00 34.95 29.11 1pyt s ARG 415 CO 0.51 -0.83 -0.02 0.08 -0.81 0.00 0.00 175.30 174.23 1pyt s VAL 416 N 3.74 2.68 -0.20 7.11 1.01 -1.26 -5.06 120.40 128.43 1pyt s VAL 416 Ca 0.75 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1pyt s VAL 416 Cb -0.36 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1pyt s VAL 416 CO 0.32 -0.17 0.60 -0.69 0.00 0.00 0.00 175.10 175.16 1pyt s VAL 417 N 1.16 5.04 0.25 2.92 1.01 -1.26 -5.00 120.40 124.52 1pyt s VAL 417 Ca -0.04 1.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 1pyt s VAL 417 Cb -0.20 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1pyt s VAL 417 CO -0.03 0.13 0.78 0.54 0.00 0.00 0.00 175.10 176.52 1pyt s ASN 418 N 1.19 -0.24 0.91 3.32 6.03 -1.26 -5.03 114.94 119.85 1pyt s ASN 418 Ca 0.28 -0.56 0.00 0.00 -1.03 0.00 0.00 52.86 51.55 1pyt s ASN 418 Cb -0.16 0.67 0.00 0.00 -3.03 0.00 0.00 41.25 38.73 1pyt s ASN 418 CO 0.10 -1.24 0.00 0.61 -2.03 0.00 0.00 177.10 174.54 1pyt n GLY 419 N -0.46 2.25 1.01 0.45 0.00 -1.26 -2.75 105.19 104.42 1pyt n GLY 419 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1pyt n GLY 419 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pyt n GLU 420 N 9.94 2.04 -2.31 1.61 1.02 -1.26 -4.92 120.64 126.76 1pyt n GLU 420 Ca 0.00 -0.95 -0.41 0.00 -0.02 0.00 0.00 57.16 55.78 1pyt n GLU 420 Cb 0.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.72 1pyt n GLU 420 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pyt s ASP 421 N -0.13 7.04 0.64 1.62 1.01 -1.11 -1.96 116.67 123.78 1pyt s ASP 421 Ca 0.17 2.45 -0.14 0.00 0.71 0.00 0.00 52.55 55.74 1pyt s ASP 421 Cb 0.13 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1pyt s ASP 421 CO 0.05 -0.33 1.07 0.00 0.21 0.00 0.00 175.17 176.17 1pyt s ALA 422 N -1.05 2.63 0.18 5.23 0.00 0.75 -4.78 121.76 124.72 1pyt s ALA 422 Ca 0.47 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 1pyt s ALA 422 Cb -0.35 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 1pyt s ALA 422 CO 0.46 -1.08 1.47 0.08 0.00 0.00 0.00 175.76 176.69 1pyt s VAL 423 N -2.59 2.82 -0.18 0.00 1.01 -1.26 -4.84 120.40 115.36 1pyt s VAL 423 Ca 0.63 0.62 -0.38 0.00 0.00 0.00 0.00 61.98 62.85 1pyt s VAL 423 Cb -0.17 -3.40 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 1pyt s VAL 423 CO 0.43 0.07 1.70 -2.65 0.00 0.00 0.00 175.10 174.65 1pyt n PRO 424 N 3.39 1.36 -0.52 2.72 -0.02 -1.26 -1.97 135.00 138.69 1pyt n PRO 424 Ca 0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1pyt n PRO 424 Cb 0.40 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1pyt n PRO 424 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pyt n TYR 425 N 5.10 0.00 -0.05 6.00 4.01 -1.26 -4.88 117.16 126.07 1pyt n TYR 425 Ca 0.24 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.91 1pyt n TYR 425 Cb 0.17 -0.58 -0.01 0.00 -0.31 0.00 0.00 39.34 38.61 1pyt n TYR 425 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1pyt h SER 426 N 0.00 -0.51 -1.09 7.72 4.64 -1.76 -1.98 113.55 120.57 1pyt h SER 426 Ca 0.00 0.11 -0.72 0.00 -0.47 0.00 0.00 61.79 60.71 1pyt h SER 426 Cb 0.00 0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 62.25 1pyt h SER 426 CO 0.00 -0.19 2.18 0.79 -0.87 0.00 0.00 176.83 178.74 1pyt n TRP 427 N -5.32 4.13 1.05 4.77 7.02 -1.26 -4.77 117.44 123.06 1pyt n TRP 427 Ca -0.01 -2.99 0.09 0.00 -1.02 0.00 0.00 57.50 53.57 1pyt n TRP 427 Cb 0.23 -2.37 0.52 0.00 -2.42 0.00 0.00 31.31 27.27 1pyt n TRP 427 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1pyt n SER 428 N 6.26 0.00 -0.64 -0.99 3.41 -0.75 -2.89 113.62 118.03 1pyt n SER 428 Ca 0.45 -0.33 0.07 0.00 -0.26 0.00 0.00 58.87 58.80 1pyt n SER 428 Cb 0.42 -0.12 0.09 0.00 -0.26 0.00 0.00 64.21 64.34 1pyt n SER 428 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1pyt n TRP 429 N -1.12 0.14 -1.82 7.33 2.14 -1.22 -0.51 117.44 122.38 1pyt n TRP 429 Ca 0.12 -0.12 -0.37 0.00 2.07 0.00 0.00 57.50 59.20 1pyt n TRP 429 Cb 0.10 -0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.65 1pyt n TRP 429 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1pyt s GLN 430 N -1.15 2.87 0.07 -2.67 2.00 -1.14 -0.73 119.66 118.90 1pyt s GLN 430 Ca 0.20 2.08 -0.05 0.00 -2.00 0.00 0.00 55.36 55.59 1pyt s GLN 430 Cb 0.13 -2.02 -0.02 0.00 0.80 0.00 0.00 33.01 31.90 1pyt s GLN 430 CO 0.19 -1.35 0.08 0.08 -0.50 0.00 0.00 175.29 173.78 1pyt s VAL 431 N -1.40 0.18 -0.15 1.34 1.01 -0.68 -4.55 120.40 116.15 1pyt s VAL 431 Ca 0.77 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1pyt s VAL 431 Cb -0.37 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1pyt s VAL 431 CO 0.41 -0.81 -0.14 -0.55 0.00 0.00 0.00 175.10 174.00 1pyt s SER 432 N -2.83 2.71 -0.21 3.32 0.15 -0.28 -3.23 113.70 113.33 1pyt s SER 432 Ca 0.05 -0.50 -0.16 0.00 0.70 0.00 0.00 55.95 56.04 1pyt s SER 432 Cb 0.06 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 1pyt s SER 432 CO -0.10 -0.05 0.42 -0.22 1.20 0.00 0.00 173.24 174.49 1pyt s LEU 433 N 1.48 4.14 -0.01 3.45 2.96 -0.89 -0.19 118.68 129.63 1pyt s LEU 433 Ca 0.05 0.53 0.06 0.00 -0.22 0.00 0.00 54.13 54.54 1pyt s LEU 433 Cb -0.13 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1pyt s LEU 433 CO -0.11 -0.11 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.54 1pyt s GLN 434 N 1.44 1.40 0.10 1.98 -0.21 0.19 -0.74 119.66 123.82 1pyt s GLN 434 Ca 0.20 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.92 1pyt s GLN 434 Cb -0.15 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.45 1pyt s GLN 434 CO 0.08 0.37 0.24 1.52 -2.12 0.00 0.00 175.29 175.39 1pyt s TYR 435 N -0.47 3.50 0.32 0.91 -0.85 -0.99 -1.42 117.35 118.35 1pyt s TYR 435 Ca 0.07 0.19 -0.24 0.00 -0.52 0.00 0.00 57.07 56.57 1pyt s TYR 435 Cb -0.07 -1.72 -0.10 0.00 0.38 0.00 0.00 41.96 40.45 1pyt s TYR 435 CO -0.00 0.56 0.90 -2.00 -1.52 0.00 0.00 175.55 173.48 1pyt s GLU 436 N -2.84 4.48 -0.30 -3.49 -6.30 -0.47 -0.89 118.70 108.89 1pyt s GLU 436 Ca 0.35 1.21 -0.13 0.00 -2.50 0.00 0.00 54.97 53.90 1pyt s GLU 436 Cb -0.12 -2.74 0.14 0.00 0.00 0.00 0.00 34.13 31.41 1pyt s GLU 436 CO 0.28 0.26 0.81 0.21 0.02 0.00 0.00 175.26 176.85 1pyt s LYS 436 N -2.18 0.47 -1.66 4.30 2.20 0.15 -4.83 119.74 118.20 1pyt s LYS 436 Ca 0.50 1.09 -0.15 0.00 -0.36 0.00 0.00 55.97 57.05 1pyt s LYS 436 Cb -0.17 0.56 0.13 0.00 -1.51 0.00 0.00 37.83 36.84 1pyt s LYS 436 CO 0.22 -0.15 0.71 -0.25 -0.36 0.00 0.00 175.35 175.53 1pyt n ASP 436 N 4.99 -2.77 0.00 1.43 8.00 -1.26 -0.39 116.55 126.55 1pyt n ASP 436 Ca -0.12 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1pyt n ASP 436 Cb 0.52 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.84 1pyt n ASP 436 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pyt n GLY 436 N -1.52 2.38 3.34 0.44 0.00 -1.26 -5.03 105.19 103.53 1pyt n GLY 436 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1pyt n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyt s ALA 437 N -2.25 2.16 0.30 4.61 0.00 0.48 -5.09 121.76 121.97 1pyt s ALA 437 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 1pyt s ALA 437 Cb 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1pyt s ALA 437 CO 0.00 0.50 0.63 -0.06 0.00 0.00 0.00 175.76 176.82 1pyt s PHE 438 N -0.91 3.45 -0.03 0.00 0.08 -1.26 0.34 117.98 119.65 1pyt s PHE 438 Ca 0.11 0.87 0.01 0.00 0.12 0.00 0.00 56.93 58.04 1pyt s PHE 438 Cb -0.10 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1pyt s PHE 438 CO 0.03 0.12 -0.03 -1.01 -0.10 0.00 0.00 175.22 174.24 1pyt s HIS 439 N -2.07 0.50 0.26 0.36 3.76 -0.07 -4.90 115.29 113.13 1pyt s HIS 439 Ca 0.48 -0.09 -0.31 0.00 -0.15 0.00 0.00 55.06 54.99 1pyt s HIS 439 Cb -0.11 -0.48 -0.12 0.00 1.11 0.00 0.00 32.58 32.98 1pyt s HIS 439 CO 0.26 -0.13 1.66 1.58 -0.85 0.00 0.00 174.74 177.26 1pyt n HIS 440 N 3.90 2.84 0.00 1.40 -0.00 -1.26 -2.35 115.22 119.75 1pyt n HIS 440 Ca -0.24 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1pyt n HIS 440 Cb 0.52 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 1pyt n HIS 440 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1pyt n THR 441 N 2.88 0.00 -3.81 3.57 5.66 0.08 -4.95 114.28 117.72 1pyt n THR 441 Ca 0.11 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.02 1pyt n THR 441 Cb 0.36 -0.22 -0.05 0.00 -1.55 0.00 0.00 70.33 68.87 1pyt n THR 441 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pyt s GLY 443 N -2.90 1.76 -0.12 0.00 0.00 0.12 -2.08 107.32 104.10 1pyt s GLY 443 Ca 0.12 -1.87 -0.33 0.00 0.00 0.00 0.00 44.72 42.63 1pyt s GLY 443 CO -0.02 -1.36 1.34 -0.32 0.00 0.00 0.00 173.10 172.75 1pyt s GLY 444 N -4.70 -0.39 -0.07 0.20 0.00 -1.20 -4.10 107.32 97.06 1pyt s GLY 444 Ca 0.64 1.14 0.01 0.00 0.00 0.00 0.00 44.72 46.51 1pyt s GLY 444 CO 0.42 0.29 -0.10 -0.56 0.00 0.00 0.00 173.10 173.15 1pyt s SER 445 N -2.70 1.79 -0.61 1.64 0.01 -0.74 -1.68 113.70 111.42 1pyt s SER 445 Ca 0.13 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.84 1pyt s SER 445 Cb 0.04 -0.79 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 1pyt s SER 445 CO -0.05 -0.01 1.77 -0.22 0.41 0.00 0.00 173.24 175.14 1pyt s LEU 446 N 0.95 3.29 0.00 2.44 2.96 0.09 -2.33 118.68 126.09 1pyt s LEU 446 Ca -0.09 0.31 0.22 0.00 -0.22 0.00 0.00 54.13 54.35 1pyt s LEU 446 Cb -0.15 -2.62 0.03 0.00 0.50 0.00 0.00 46.19 43.95 1pyt s LEU 446 CO 0.00 -2.25 1.08 2.30 -1.32 0.00 0.00 176.35 176.17 1pyt n ILE 447 N 7.12 0.00 -3.66 6.68 -6.64 -1.14 -0.81 119.36 120.91 1pyt n ILE 447 Ca 0.18 -0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 61.01 1pyt n ILE 447 Cb 0.51 0.75 -0.08 0.00 -1.44 0.00 0.00 39.64 39.38 1pyt n ILE 447 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pyt s ALA 448 N -2.99 -1.24 0.26 -1.28 0.00 -1.09 -4.67 121.76 110.76 1pyt s ALA 448 Ca 0.09 0.88 0.12 0.00 0.00 0.00 0.00 51.96 53.06 1pyt s ALA 448 Cb 0.17 -0.10 0.89 0.00 0.00 0.00 0.00 23.12 24.08 1pyt s ALA 448 CO 0.81 -0.30 1.16 -2.30 0.00 0.00 0.00 175.76 175.12 1pyt n PRO 449 N 1.37 -0.05 -2.55 0.00 -0.02 -1.26 -0.60 135.00 131.89 1pyt n PRO 449 Ca -0.19 1.03 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1pyt n PRO 449 Cb 0.56 -1.80 0.04 0.00 -0.02 0.00 0.00 33.50 32.28 1pyt n PRO 449 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pyt n ASP 450 N -4.74 2.76 -3.80 2.55 5.68 -1.26 0.33 116.55 118.06 1pyt n ASP 450 Ca 0.25 -2.68 -0.12 0.00 -0.50 0.00 0.00 54.79 51.74 1pyt n ASP 450 Cb 0.86 -0.44 -0.11 0.00 -1.14 0.00 0.00 41.12 40.29 1pyt n ASP 450 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1pyt s TRP 451 N -3.70 -0.19 0.00 2.11 0.52 0.23 -1.22 118.94 116.70 1pyt s TRP 451 Ca 0.35 0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.90 1pyt s TRP 451 Cb 0.36 0.06 -0.01 0.00 -1.15 0.00 0.00 33.47 32.74 1pyt s TRP 451 CO -0.01 -0.22 -0.04 0.08 0.02 0.00 0.00 176.95 176.77 1pyt s VAL 452 N -0.52 0.33 -0.09 4.03 1.01 0.11 -2.66 120.40 122.62 1pyt s VAL 452 Ca -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1pyt s VAL 452 Cb -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1pyt s VAL 452 CO 0.01 0.00 -0.09 0.54 0.00 0.00 0.00 175.10 175.57 1pyt s VAL 453 N -0.31 3.46 0.37 2.92 0.11 -0.98 0.27 120.40 126.23 1pyt s VAL 453 Ca -0.01 -0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 58.38 1pyt s VAL 453 Cb -0.03 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.43 1pyt s VAL 453 CO -0.00 0.57 0.67 0.28 -3.33 0.00 0.00 175.10 173.29 1pyt s THR 454 N -0.41 0.00 0.58 5.04 -1.32 -0.79 -1.78 115.64 116.95 1pyt s THR 454 Ca 0.06 -1.23 -0.17 0.00 -1.21 0.00 0.00 61.69 59.14 1pyt s THR 454 Cb -0.12 -2.76 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1pyt s THR 454 CO 0.02 0.00 1.07 0.00 -2.21 0.00 0.00 174.62 173.50 1pyt s ALA 455 N -2.65 2.71 0.29 11.08 0.00 -1.26 -2.04 121.76 129.90 1pyt s ALA 455 Ca 0.21 0.51 0.11 0.00 0.00 0.00 0.00 51.96 52.79 1pyt s ALA 455 Cb -0.03 -3.26 0.42 0.00 0.00 0.00 0.00 23.12 20.24 1pyt s ALA 455 CO 0.15 -0.79 1.65 0.78 0.00 0.00 0.00 175.76 177.54 1pyt h GLY 456 N 0.66 0.00 1.84 0.00 0.00 -1.62 -2.91 103.07 101.05 1pyt h GLY 456 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1pyt h GLY 456 CO 0.57 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.72 1pyt n HIS 457 N -3.85 0.00 1.55 5.60 1.44 -1.26 -2.94 115.22 115.77 1pyt n HIS 457 Ca -0.01 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.85 1pyt n HIS 457 Cb 0.58 -0.42 0.80 0.00 0.12 0.00 0.00 29.99 31.07 1pyt n HIS 457 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pyt s ILE 459 N -2.42 5.41 -0.31 0.00 -1.09 -1.15 -5.02 121.20 116.63 1pyt s ILE 459 Ca 0.33 0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.96 1pyt s ILE 459 Cb 0.20 -3.47 0.09 0.00 -1.58 0.00 0.00 42.46 37.71 1pyt s ILE 459 CO 0.43 0.45 0.07 -0.55 -1.23 0.00 0.00 174.94 174.10 1pyt s SER 460 N 0.31 4.18 0.59 3.58 0.15 -1.26 -5.01 113.70 116.25 1pyt s SER 460 Ca 0.08 -1.71 0.29 0.00 0.70 0.00 0.00 55.95 55.31 1pyt s SER 460 Cb -0.11 -1.10 1.34 0.00 -1.71 0.00 0.00 66.02 64.44 1pyt s SER 460 CO -0.02 -0.38 1.73 0.71 1.20 0.00 0.00 173.24 176.47 1pyt h THR 461 N 6.54 0.25 -0.21 6.45 1.35 -2.00 -1.60 112.91 123.70 1pyt h THR 461 Ca -0.11 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 1pyt h THR 461 Cb 1.02 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1pyt h THR 461 CO 0.48 0.00 0.03 -1.54 -0.25 0.00 0.00 175.52 174.23 1pyt n SER 462 N -3.58 2.70 -4.26 5.36 3.41 -1.26 -4.91 113.62 111.07 1pyt n SER 462 Ca 0.13 -2.34 -0.15 0.00 -0.26 0.00 0.00 58.87 56.25 1pyt n SER 462 Cb 0.94 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1pyt n SER 462 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pyt s ARG 462 N -1.55 1.11 -0.14 4.33 0.52 -0.60 -5.12 118.95 117.50 1pyt s ARG 462 Ca 0.19 -1.49 -0.14 0.00 -0.52 0.00 0.00 55.73 53.76 1pyt s ARG 462 Cb 0.14 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1pyt s ARG 462 CO 0.05 0.04 0.32 0.99 0.02 0.00 0.00 175.30 176.72 1pyt s THR 463 N -3.36 5.28 0.32 0.02 2.01 -1.26 -4.98 115.64 113.66 1pyt s THR 463 Ca 0.19 0.61 0.08 0.00 0.31 0.00 0.00 61.69 62.88 1pyt s THR 463 Cb 0.03 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1pyt s THR 463 CO 0.02 0.40 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.96 1pyt s TYR 464 N 0.31 2.21 0.05 4.92 2.02 -1.26 -1.37 117.35 124.23 1pyt s TYR 464 Ca 0.18 -0.58 -0.24 0.00 -0.37 0.00 0.00 57.07 56.06 1pyt s TYR 464 Cb -0.13 -1.26 0.06 0.00 -0.40 0.00 0.00 41.96 40.22 1pyt s TYR 464 CO 0.05 0.46 0.56 1.14 -1.57 0.00 0.00 175.55 176.19 1pyt s GLN 465 N -3.66 1.08 0.04 -0.62 -2.07 -0.50 -0.60 119.66 113.33 1pyt s GLN 465 Ca 0.31 -0.20 0.09 0.00 -1.82 0.00 0.00 55.36 53.74 1pyt s GLN 465 Cb 0.03 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.42 1pyt s GLN 465 CO 0.14 -0.40 -0.25 0.14 -1.32 0.00 0.00 175.29 173.61 1pyt s VAL 466 N -2.47 1.99 -0.15 3.63 -7.23 -0.10 -0.63 120.40 115.43 1pyt s VAL 466 Ca -0.05 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1pyt s VAL 466 Cb -0.01 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 1pyt s VAL 466 CO -0.02 0.32 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.32 1pyt s VAL 467 N -0.79 3.32 0.06 1.32 1.01 0.74 -1.46 120.40 124.59 1pyt s VAL 467 Ca 0.10 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1pyt s VAL 467 Cb -0.10 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1pyt s VAL 467 CO 0.02 0.50 -0.08 -0.76 0.00 0.00 0.00 175.10 174.77 1pyt s LEU 468 N 0.58 3.09 -0.80 3.92 1.43 0.42 -1.12 118.68 126.21 1pyt s LEU 468 Ca -0.06 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1pyt s LEU 468 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1pyt s LEU 468 CO 0.03 0.22 0.42 0.61 0.23 0.00 0.00 176.35 177.87 1pyt n GLY 469 N 1.09 0.07 3.68 -3.19 0.00 -1.26 0.72 105.19 106.30 1pyt n GLY 469 Ca -0.14 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1pyt n GLY 469 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pyt s GLU 470 N -5.32 2.61 0.20 1.61 2.56 -1.26 -2.16 118.70 116.93 1pyt s GLU 470 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.41 1pyt s GLU 470 Cb -0.09 -2.57 0.00 0.00 2.00 0.00 0.00 34.13 33.47 1pyt s GLU 470 CO 0.26 0.57 0.00 0.98 -0.56 0.00 0.00 175.26 176.51 1pyt n TYR 471 N 0.86 -1.74 -3.47 5.30 9.36 -1.26 -4.90 117.16 121.31 1pyt n TYR 471 Ca -0.12 0.31 -0.43 0.00 3.32 0.00 0.00 57.90 60.98 1pyt n TYR 471 Cb 0.52 0.55 -0.08 0.00 -0.63 0.00 0.00 39.34 39.70 1pyt n TYR 471 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1pyt s ASP 472 N -4.69 5.94 0.00 2.98 -1.08 -1.26 -1.73 116.67 116.83 1pyt s ASP 472 Ca 0.00 -1.45 0.08 0.00 -0.52 0.00 0.00 52.55 50.66 1pyt s ASP 472 Cb 0.00 -2.10 0.37 0.00 -1.46 0.00 0.00 42.92 39.72 1pyt s ASP 472 CO 0.00 -0.62 1.26 0.54 0.52 0.00 0.00 175.17 176.87 1pyt n ARG 473 N 5.09 0.01 -0.15 4.34 1.74 0.03 -1.12 116.66 126.60 1pyt n ARG 473 Ca -0.11 0.34 0.12 0.00 -0.77 0.00 0.00 57.85 57.43 1pyt n ARG 473 Cb 0.43 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.56 1pyt n ARG 473 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1pyt n SER 474 N -1.49 3.36 -3.67 0.55 3.41 -1.26 -4.90 113.62 109.62 1pyt n SER 474 Ca 0.02 -1.98 -0.15 0.00 -0.26 0.00 0.00 58.87 56.50 1pyt n SER 474 Cb 0.10 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 1pyt n SER 474 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pyt s VAL 475 N -1.56 -0.33 0.28 -3.33 1.01 -0.27 -5.11 120.40 111.10 1pyt s VAL 475 Ca 0.36 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1pyt s VAL 475 Cb 0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 36.38 36.13 1pyt s VAL 475 CO 0.31 0.13 1.49 -0.76 0.00 0.00 0.00 175.10 176.27 1pyt s LEU 476 N 2.30 4.37 0.00 3.92 1.43 -1.26 -4.67 118.68 124.77 1pyt s LEU 476 Ca 0.02 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 1pyt s LEU 476 Cb -0.12 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1pyt s LEU 476 CO -0.07 -0.79 0.15 0.00 0.23 0.00 0.00 176.35 175.88 1pyt n GLN 477 N 1.97 1.29 0.00 1.70 6.02 -1.26 -5.03 117.38 122.07 1pyt n GLN 477 Ca 0.06 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1pyt n GLN 477 Cb 0.39 -0.56 0.00 0.00 1.02 0.00 0.00 30.24 31.10 1pyt n GLN 477 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pyt n GLY 478 N 0.23 1.86 0.10 1.08 0.00 -1.26 -4.89 105.19 102.31 1pyt n GLY 478 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1pyt n GLY 478 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pyt n SER 479 N 0.00 0.76 -4.76 1.61 7.64 -1.26 -4.95 113.62 112.66 1pyt n SER 479 Ca 0.00 0.31 -0.39 0.00 1.01 0.00 0.00 58.87 59.80 1pyt n SER 479 Cb 0.00 0.47 0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1pyt n SER 479 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1pyt s GLU 480 N -3.18 3.40 -0.04 1.43 8.01 -0.92 -4.29 118.70 123.11 1pyt s GLU 480 Ca -0.02 2.36 0.02 0.00 0.01 0.00 0.00 54.97 57.34 1pyt s GLU 480 Cb 0.09 -2.46 0.01 0.00 -4.31 0.00 0.00 34.13 27.46 1pyt s GLU 480 CO 0.81 -1.02 -0.08 -0.65 0.01 0.00 0.00 175.26 174.32 1pyt s GLN 481 N -2.68 1.11 -0.17 1.61 -0.21 0.22 -4.95 119.66 114.59 1pyt s GLN 481 Ca 0.66 -0.27 -0.02 0.00 0.02 0.00 0.00 55.36 55.76 1pyt s GLN 481 Cb -0.43 -1.00 -0.01 0.00 1.00 0.00 0.00 33.01 32.57 1pyt s GLN 481 CO 0.53 0.03 -0.10 0.14 -2.12 0.00 0.00 175.29 173.77 1pyt s VAL 482 N 0.55 3.12 -0.22 1.09 -7.23 -1.26 -0.43 120.40 116.01 1pyt s VAL 482 Ca -0.09 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 1pyt s VAL 482 Cb -0.12 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.51 1pyt s VAL 482 CO 0.01 0.49 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.58 1pyt s ILE 483 N 0.84 1.67 0.30 -0.62 1.01 -0.54 -5.00 121.20 118.87 1pyt s ILE 483 Ca -0.03 -1.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.15 1pyt s ILE 483 Cb -0.15 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.40 1pyt s ILE 483 CO 0.01 0.04 1.32 -2.84 0.00 0.00 0.00 174.94 173.47 1pyt s PRO 484 N 1.35 4.35 -0.48 2.79 0.02 -1.26 -0.93 135.00 140.85 1pyt s PRO 484 Ca -0.04 2.19 -0.13 0.00 0.02 0.00 0.00 61.00 63.04 1pyt s PRO 484 Cb -0.18 -3.10 0.10 0.00 0.02 0.00 0.00 34.50 31.34 1pyt s PRO 484 CO -0.07 -0.22 0.39 0.42 -0.33 0.00 0.00 177.00 177.18 1pyt s ILE 485 N -0.76 4.86 0.14 2.83 -1.09 0.23 -3.74 121.20 123.67 1pyt s ILE 485 Ca 0.52 -1.36 -0.34 0.00 -2.23 0.00 0.00 60.65 57.24 1pyt s ILE 485 Cb -0.39 -4.02 -0.16 0.00 -1.58 0.00 0.00 42.46 36.31 1pyt s ILE 485 CO 0.49 -0.67 1.13 0.59 -1.23 0.00 0.00 174.94 175.25 1pyt n ASN 486 N 5.11 1.05 0.00 3.58 3.02 -1.26 -4.39 115.26 122.37 1pyt n ASN 486 Ca -0.12 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1pyt n ASN 486 Cb 0.42 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 1pyt n ASN 486 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pyt n ALA 486 N 1.54 0.00 -0.89 5.41 0.00 -1.26 -0.11 120.51 125.21 1pyt n ALA 486 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1pyt n ALA 486 Cb 0.22 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.95 1pyt n ALA 486 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyt n GLY 486 N -0.86 3.51 0.61 0.00 0.00 -1.26 -4.38 105.19 102.81 1pyt n GLY 486 Ca 0.00 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.22 1pyt n GLY 486 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pyt n ASP 487 N -0.13 1.87 -4.82 1.61 8.00 0.85 -4.86 116.55 119.06 1pyt n ASP 487 Ca 0.39 -1.69 -0.30 0.00 0.71 0.00 0.00 54.79 53.90 1pyt n ASP 487 Cb 1.33 -0.08 0.09 0.00 -0.02 0.00 0.00 41.12 42.44 1pyt n ASP 487 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pyt s LEU 488 N -1.72 2.57 -0.48 0.64 2.01 -1.26 -0.82 118.68 119.62 1pyt s LEU 488 Ca 0.34 1.18 0.06 0.00 0.01 0.00 0.00 54.13 55.73 1pyt s LEU 488 Cb 0.19 -3.79 0.23 0.00 0.01 0.00 0.00 46.19 42.84 1pyt s LEU 488 CO 0.29 -1.92 0.80 0.49 1.01 0.00 0.00 176.35 177.02 1pyt n PHE 489 N -3.38 -2.99 -2.29 0.29 3.72 0.21 -4.86 117.46 108.15 1pyt n PHE 489 Ca 0.07 -1.96 -0.38 0.00 -0.05 0.00 0.00 57.45 55.13 1pyt n PHE 489 Cb 0.57 1.28 -0.02 0.00 -0.94 0.00 0.00 39.48 40.37 1pyt n PHE 489 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1pyt s VAL 490 N 0.47 3.17 0.56 -4.37 1.01 -1.26 -1.85 120.40 118.13 1pyt s VAL 490 Ca 0.32 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 63.03 1pyt s VAL 490 Cb 0.18 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1pyt s VAL 490 CO -0.20 0.04 1.09 1.57 0.00 0.00 0.00 175.10 177.60 1pyt n HIS 491 N -0.15 1.30 0.43 5.22 -0.00 -1.14 -4.89 115.22 115.99 1pyt n HIS 491 Ca 0.05 0.45 0.13 0.00 0.46 0.00 0.00 57.72 58.82 1pyt n HIS 491 Cb 0.47 -2.21 0.44 0.00 -0.12 0.00 0.00 29.99 28.57 1pyt n HIS 491 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1pyt h PRO 492 N 0.88 0.00 -0.02 1.57 0.11 -1.93 -3.13 132.00 129.48 1pyt h PRO 492 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pyt h PRO 492 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1pyt h PRO 492 CO 0.53 0.00 -0.32 1.28 -0.21 0.00 0.00 178.00 179.28 1pyt n LEU 493 N -2.53 2.03 -4.67 2.35 4.77 -1.26 -4.92 117.00 112.77 1pyt n LEU 493 Ca 0.03 -0.71 -0.43 0.00 -0.03 0.00 0.00 56.01 54.88 1pyt n LEU 493 Cb 0.36 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1pyt n LEU 493 CO 0.27 0.37 1.17 0.86 -1.33 0.00 0.00 177.39 178.73 1pyt s TRP 494 N -2.36 2.59 -0.30 -1.77 -0.11 -1.19 -4.88 118.94 110.93 1pyt s TRP 494 Ca 0.22 0.74 0.03 0.00 1.22 0.00 0.00 56.10 58.31 1pyt s TRP 494 Cb 0.19 -3.65 0.09 0.00 -1.50 0.00 0.00 33.47 28.59 1pyt s TRP 494 CO 0.50 -2.46 0.01 1.21 -4.62 0.00 0.00 176.95 171.59 1pyt s ASN 495 N 2.36 4.45 0.00 5.86 2.47 -1.26 -4.98 114.94 123.84 1pyt s ASN 495 Ca 0.62 -1.79 0.00 0.00 0.42 0.00 0.00 52.86 52.11 1pyt s ASN 495 Cb -0.27 -1.43 0.00 0.00 -1.45 0.00 0.00 41.25 38.10 1pyt s ASN 495 CO 0.21 -0.33 0.43 -1.20 -3.72 0.00 0.00 177.10 172.49 1pyt n SER 496 N 4.44 0.00 -0.61 -4.21 7.64 -1.26 0.48 113.62 120.10 1pyt n SER 496 Ca -0.03 0.09 0.07 0.00 1.01 0.00 0.00 58.87 60.01 1pyt n SER 496 Cb 0.42 -0.09 0.09 0.00 -1.01 0.00 0.00 64.21 63.62 1pyt n SER 496 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1pyt n ASN 497 N -0.93 2.37 -3.41 6.43 5.15 -1.26 -4.74 115.26 118.87 1pyt n ASN 497 Ca 0.00 -1.67 -0.22 0.00 -0.60 0.00 0.00 54.58 52.09 1pyt n ASN 497 Cb 0.13 -0.06 -0.10 0.00 -0.53 0.00 0.00 39.78 39.22 1pyt n ASN 497 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pyt h VAL 499 N 5.27 1.35 0.00 0.00 2.07 -1.85 -3.18 116.25 119.90 1pyt h VAL 499 Ca 0.02 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1pyt h VAL 499 Cb 1.02 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1pyt h VAL 499 CO 0.25 0.73 0.00 0.00 0.02 0.00 0.00 177.57 178.57 1pyt n ALA 499 N -2.59 1.79 0.75 1.67 0.00 -1.26 -2.18 120.51 118.69 1pyt n ALA 499 Ca -0.09 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.41 1pyt n ALA 499 Cb 0.87 -1.22 0.40 0.00 0.00 0.00 0.00 19.45 19.50 1pyt n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyt n GLY 500 N 1.39 -0.62 2.43 0.00 0.00 -0.93 -4.92 105.19 102.54 1pyt n GLY 500 Ca 0.05 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 1pyt n GLY 500 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pyt n ASN 501 N 0.75 -5.01 -4.24 1.61 3.02 -1.26 -4.65 115.26 105.49 1pyt n ASN 501 Ca 0.00 0.41 -0.43 0.00 -0.03 0.00 0.00 54.58 54.53 1pyt n ASN 501 Cb 0.00 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 1pyt n ASN 501 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1pyt n ASP 502 N -1.25 4.82 -4.03 6.41 2.03 -1.26 -3.86 116.55 119.41 1pyt n ASP 502 Ca -0.19 -2.96 -0.12 0.00 0.52 0.00 0.00 54.79 52.04 1pyt n ASP 502 Cb 0.62 -1.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.31 1pyt n ASP 502 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1pyt s ILE 503 N 2.56 0.00 -0.14 5.18 2.07 -1.26 -3.64 121.20 125.97 1pyt s ILE 503 Ca 0.47 -1.84 -0.34 0.00 -1.41 0.00 0.00 60.65 57.53 1pyt s ILE 503 Cb 0.05 -2.44 0.13 0.00 0.13 0.00 0.00 42.46 40.34 1pyt s ILE 503 CO 0.01 0.00 1.24 0.00 -1.91 0.00 0.00 174.94 174.28 1pyt s ALA 504 N -4.01 -2.13 0.04 1.50 0.00 -0.87 -2.89 121.76 113.41 1pyt s ALA 504 Ca 0.35 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.68 1pyt s ALA 504 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1pyt s ALA 504 CO 0.13 -0.73 -0.10 -0.51 0.00 0.00 0.00 175.76 174.55 1pyt s LEU 505 N -2.41 2.21 -0.13 0.00 1.02 -0.77 -1.89 118.68 116.71 1pyt s LEU 505 Ca 0.11 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.78 1pyt s LEU 505 Cb 0.01 -0.32 0.02 0.00 0.02 0.00 0.00 46.19 45.92 1pyt s LEU 505 CO -0.04 -0.10 -0.12 0.68 0.02 0.00 0.00 176.35 176.79 1pyt s VAL 506 N -1.08 1.34 -0.10 -1.59 -7.23 0.14 0.64 120.40 112.52 1pyt s VAL 506 Ca -0.05 -0.50 -0.27 0.00 -1.81 0.00 0.00 61.98 59.35 1pyt s VAL 506 Cb -0.08 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 1pyt s VAL 506 CO 0.01 0.42 0.89 -0.75 -0.31 0.00 0.00 175.10 175.35 1pyt s LYS 507 N 1.47 4.41 0.38 4.82 2.20 0.00 -0.71 119.74 132.31 1pyt s LYS 507 Ca 0.03 1.18 -0.25 0.00 -0.36 0.00 0.00 55.97 56.56 1pyt s LYS 507 Cb -0.13 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.58 1pyt s LYS 507 CO -0.08 -0.19 1.08 -0.51 -0.36 0.00 0.00 175.35 175.28 1pyt s LEU 508 N 1.63 4.23 0.33 5.43 1.43 -0.36 -4.71 118.68 126.66 1pyt s LEU 508 Ca 0.44 2.14 0.07 0.00 -1.03 0.00 0.00 54.13 55.74 1pyt s LEU 508 Cb -0.18 -4.05 0.58 0.00 0.03 0.00 0.00 46.19 42.58 1pyt s LEU 508 CO 0.18 -0.46 1.80 0.77 0.23 0.00 0.00 176.35 178.87 1pyt h SER 509 N 2.78 0.31 -3.78 2.29 4.64 -1.89 -3.43 113.55 114.46 1pyt h SER 509 Ca -0.48 -0.09 -0.28 0.00 -0.47 0.00 0.00 61.79 60.47 1pyt h SER 509 Cb 1.22 -0.08 -0.29 0.00 -0.31 0.00 0.00 62.40 62.94 1pyt h SER 509 CO 0.63 0.55 -0.74 0.00 -0.87 0.00 0.00 176.83 176.41 1pyt s ARG 510 N -4.51 0.19 0.58 4.77 1.04 -1.26 -5.08 118.95 114.68 1pyt s ARG 510 Ca -0.06 -0.07 -0.19 0.00 -1.04 0.00 0.00 55.73 54.38 1pyt s ARG 510 Cb 0.14 -0.20 -0.04 0.00 -2.04 0.00 0.00 34.95 32.81 1pyt s ARG 510 CO 0.76 0.03 1.17 0.45 -0.04 0.00 0.00 175.30 177.67 1pyt s SER 511 N 0.03 5.39 0.51 -2.89 0.15 -1.26 -4.93 113.70 110.69 1pyt s SER 511 Ca 0.00 2.28 -0.23 0.00 0.70 0.00 0.00 55.95 58.71 1pyt s SER 511 Cb -0.02 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.64 1pyt s SER 511 CO -0.00 -1.45 1.34 0.00 1.20 0.00 0.00 173.24 174.32 1pyt s ALA 512 N -1.71 2.93 -0.52 5.45 0.00 0.15 -4.94 121.76 123.12 1pyt s ALA 512 Ca 0.75 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.81 1pyt s ALA 512 Cb -0.27 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.37 1pyt s ALA 512 CO 0.31 -1.22 0.64 -0.65 0.00 0.00 0.00 175.76 174.84 1pyt s GLN 513 N -2.78 3.11 0.22 0.00 -1.52 -1.26 -4.95 119.66 112.49 1pyt s GLN 513 Ca 0.68 -0.95 -0.30 0.00 -1.95 0.00 0.00 55.36 52.84 1pyt s GLN 513 Cb -0.39 -4.12 -0.09 0.00 -0.22 0.00 0.00 33.01 28.19 1pyt s GLN 513 CO 0.47 -1.27 0.95 -0.51 -0.25 0.00 0.00 175.29 174.68 1pyt s LEU 514 N 2.64 4.62 0.00 2.90 1.43 -1.26 -4.76 118.68 124.25 1pyt s LEU 514 Ca 0.15 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1pyt s LEU 514 Cb -0.20 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1pyt s LEU 514 CO 0.11 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1pyt n GLY 515 N 1.60 3.10 0.14 -3.19 0.00 -0.29 -4.96 105.19 101.59 1pyt n GLY 515 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 1pyt n GLY 515 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1pyt h ASP 516 N 0.00 0.31 1.06 1.61 2.03 -2.02 -3.30 116.42 116.11 1pyt h ASP 516 Ca 0.00 -0.22 -0.01 0.00 -0.73 0.00 0.00 57.03 56.06 1pyt h ASP 516 Cb 0.00 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 38.41 1pyt h ASP 516 CO 0.00 0.99 -0.94 0.11 -1.03 0.00 0.00 179.24 178.36 1pyt h LYS 517 N 0.15 0.00 -5.00 4.15 1.57 -1.95 -3.46 116.57 112.04 1pyt h LYS 517 Ca -0.04 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.20 1pyt h LYS 517 Cb 1.40 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.39 1pyt h LYS 517 CO 0.13 0.02 -0.83 0.08 -0.57 0.00 0.00 179.45 178.28 1pyt s VAL 518 N -3.32 1.32 0.05 0.50 1.01 -1.24 -4.74 120.40 113.98 1pyt s VAL 518 Ca -0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1pyt s VAL 518 Cb 0.09 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.34 1pyt s VAL 518 CO 0.78 0.39 0.35 -1.10 0.00 0.00 0.00 175.10 175.52 1pyt s GLN 519 N 0.27 0.87 0.24 2.72 -0.21 0.33 -1.14 119.66 122.74 1pyt s GLN 519 Ca -0.08 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1pyt s GLN 519 Cb -0.13 0.38 -0.09 0.00 1.00 0.00 0.00 33.01 34.17 1pyt s GLN 519 CO 0.03 -0.29 1.20 -0.51 -2.12 0.00 0.00 175.29 173.60 1pyt s LEU 520 N -2.10 4.47 1.02 2.90 1.43 -1.26 -3.40 118.68 121.74 1pyt s LEU 520 Ca -0.04 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.25 1pyt s LEU 520 Cb -0.01 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.79 1pyt s LEU 520 CO -0.04 -0.35 1.13 0.00 0.23 0.00 0.00 176.35 177.33 1pyt s ALA 521 N -0.51 1.27 -0.24 4.21 0.00 0.01 -4.93 121.76 121.57 1pyt s ALA 521 Ca 0.50 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1pyt s ALA 521 Cb -0.34 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1pyt s ALA 521 CO 0.40 -2.79 -0.12 1.21 0.00 0.00 0.00 175.76 174.46 1pyt s ASN 522 N -3.90 4.14 0.26 0.00 3.84 -1.26 -4.88 114.94 113.13 1pyt s ASN 522 Ca 0.67 -1.17 -0.19 0.00 0.21 0.00 0.00 52.86 52.37 1pyt s ASN 522 Cb -0.14 -1.55 -0.09 0.00 -0.55 0.00 0.00 41.25 38.93 1pyt s ASN 522 CO 0.55 -0.14 0.75 -0.76 -2.79 0.00 0.00 177.10 174.71 1pyt s LEU 523 N 1.17 4.28 1.09 3.21 1.43 -1.26 -0.76 118.68 127.83 1pyt s LEU 523 Ca -0.05 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.35 1pyt s LEU 523 Cb -0.18 -3.75 0.24 0.00 0.03 0.00 0.00 46.19 42.53 1pyt s LEU 523 CO -0.07 -0.03 1.07 -2.84 0.23 0.00 0.00 176.35 174.71 1pyt s PRO 524 N -2.21 -0.30 0.40 1.29 0.02 -1.26 -4.93 135.00 128.01 1pyt s PRO 524 Ca 0.46 0.51 -0.16 0.00 0.02 0.00 0.00 61.00 61.84 1pyt s PRO 524 Cb -0.15 -1.65 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 1pyt s PRO 524 CO 0.20 -3.22 0.83 -1.25 -0.33 0.00 0.00 177.00 173.23 1pyt s PRO 525 N -4.86 4.00 0.36 5.54 0.04 -1.26 -4.92 135.00 133.88 1pyt s PRO 525 Ca 0.67 0.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 1pyt s PRO 525 Cb -0.20 -2.32 -0.14 0.00 0.04 0.00 0.00 34.50 31.89 1pyt s PRO 525 CO 0.60 0.00 0.58 0.00 0.04 0.00 0.00 177.00 178.22 1pyt n ALA 526 N -0.83 -1.67 -0.33 8.56 0.00 -1.26 -1.08 120.51 123.90 1pyt n ALA 526 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1pyt n ALA 526 Cb 0.54 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1pyt n ALA 526 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyt n GLY 527 N 1.78 0.00 3.60 0.00 0.00 -1.22 -4.91 105.19 104.44 1pyt n GLY 527 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1pyt n GLY 527 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pyt n ASP 528 N 0.00 1.35 -3.92 1.61 -0.08 -0.24 -5.00 116.55 110.28 1pyt n ASP 528 Ca 0.00 1.12 -0.16 0.00 -1.51 0.00 0.00 54.79 54.25 1pyt n ASP 528 Cb 0.00 -1.32 -0.15 0.00 2.34 0.00 0.00 41.12 41.99 1pyt n ASP 528 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1pyt s ILE 529 N -1.15 0.34 0.38 5.18 1.01 -1.26 -4.88 121.20 120.82 1pyt s ILE 529 Ca 0.60 -0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 1pyt s ILE 529 Cb -0.63 -0.32 -0.08 0.00 0.01 0.00 0.00 42.46 41.44 1pyt s ILE 529 CO 0.59 0.12 0.79 -0.76 0.00 0.00 0.00 174.94 175.68 1pyt s LEU 530 N 0.17 3.92 0.46 2.97 1.43 -1.26 -5.08 118.68 121.29 1pyt s LEU 530 Ca -0.01 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 1pyt s LEU 530 Cb -0.05 -4.14 -0.06 0.00 0.03 0.00 0.00 46.19 41.98 1pyt s LEU 530 CO -0.00 -0.33 0.85 -2.16 0.23 0.00 0.00 176.35 174.94 1pyt s PRO 531 N -3.42 3.76 0.73 1.29 0.04 -1.26 -4.87 135.00 131.28 1pyt s PRO 531 Ca 0.54 0.56 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 1pyt s PRO 531 Cb -0.10 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1pyt s PRO 531 CO 0.23 -0.17 0.67 -1.71 0.04 0.00 0.00 177.00 176.07 1pyt n ASN 532 N -1.65 -0.68 -1.44 6.66 5.15 -1.26 -1.77 115.26 120.26 1pyt n ASN 532 Ca 0.03 0.60 -0.17 0.00 -0.60 0.00 0.00 54.58 54.45 1pyt n ASN 532 Cb 0.54 -1.28 -0.07 0.00 -0.53 0.00 0.00 39.78 38.44 1pyt n ASN 532 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1pyt n GLU 533 N -1.17 -1.43 -1.93 1.20 1.02 -0.79 -4.93 120.64 112.63 1pyt n GLU 533 Ca 0.11 1.03 -0.42 0.00 -0.02 0.00 0.00 57.16 57.86 1pyt n GLU 533 Cb 0.50 -5.36 -0.03 0.00 -0.02 0.00 0.00 31.44 26.53 1pyt n GLU 533 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pyt s ALA 534 N -2.44 3.77 -1.27 0.62 0.00 -0.73 -4.71 121.76 116.99 1pyt s ALA 534 Ca 0.00 1.35 -0.19 0.00 0.00 0.00 0.00 51.96 53.12 1pyt s ALA 534 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1pyt s ALA 534 CO 0.00 -0.84 1.81 -0.35 0.00 0.00 0.00 175.76 176.38 1pyt n PRO 535 N 4.23 2.75 -3.94 0.00 -0.04 -1.26 -0.62 135.00 136.13 1pyt n PRO 535 Ca 0.14 -3.03 -0.23 0.00 -0.04 0.00 0.00 63.50 60.35 1pyt n PRO 535 Cb 0.39 -3.55 -0.02 0.00 -0.04 0.00 0.00 33.50 30.28 1pyt n PRO 535 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyt s TYR 537 N -1.92 2.79 0.53 0.00 1.51 -0.25 -0.77 117.35 119.24 1pyt s TYR 537 Ca 0.34 -1.56 -0.08 0.00 -1.01 0.00 0.00 57.07 54.76 1pyt s TYR 537 Cb -0.10 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1pyt s TYR 537 CO 0.29 -0.77 0.88 0.96 -1.11 0.00 0.00 175.55 175.80 1pyt s ILE 538 N 1.26 4.82 -0.04 2.71 -4.36 -0.51 -2.67 121.20 122.42 1pyt s ILE 538 Ca 0.04 0.50 -0.10 0.00 -0.26 0.00 0.00 60.65 60.84 1pyt s ILE 538 Cb -0.13 -3.85 0.02 0.00 1.25 0.00 0.00 42.46 39.74 1pyt s ILE 538 CO -0.11 -0.93 0.23 -0.94 0.24 0.00 0.00 174.94 173.42 1pyt s SER 539 N -4.04 -0.14 0.00 4.36 1.04 -1.25 -2.39 113.70 111.28 1pyt s SER 539 Ca 0.51 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1pyt s SER 539 Cb -0.11 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1pyt s SER 539 CO 0.47 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1pyt n GLY 540 N 2.00 -1.71 1.36 7.32 0.00 -0.91 -4.42 105.19 108.84 1pyt n GLY 540 Ca -0.18 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.72 1pyt n GLY 540 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pyt n TRP 541 N 1.66 1.54 -1.83 1.61 8.01 -1.23 -1.01 117.44 126.17 1pyt n TRP 541 Ca 0.00 -1.26 -0.16 0.00 -1.31 0.00 0.00 57.50 54.77 1pyt n TRP 541 Cb 0.00 -0.52 -0.04 0.00 -2.01 0.00 0.00 31.31 28.74 1pyt n TRP 541 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pyt n GLY 542 N -0.66 0.76 0.06 6.99 0.00 -1.16 -3.94 105.19 107.23 1pyt n GLY 542 Ca 0.33 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1pyt n GLY 542 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pyt n ARG 543 N -2.53 0.10 0.16 1.61 3.00 -1.16 -2.22 116.66 115.62 1pyt n ARG 543 Ca -0.17 0.31 0.13 0.00 -0.00 0.00 0.00 57.85 58.11 1pyt n ARG 543 Cb 0.57 -1.67 0.56 0.00 0.00 0.00 0.00 32.46 31.92 1pyt n ARG 543 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1pyt h LEU 544 N 0.00 0.00 -9.11 6.15 3.38 -1.57 -3.42 115.31 110.75 1pyt h LEU 544 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1pyt h LEU 544 Cb 0.34 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 1pyt h LEU 544 CO 0.00 0.00 -0.39 -0.47 0.09 0.00 0.00 178.44 177.67 1pyt s TYR 546 N -3.44 3.34 -0.25 1.13 5.04 -0.94 -4.65 117.35 117.58 1pyt s TYR 546 Ca 0.02 0.38 -0.08 0.00 -2.44 0.00 0.00 57.07 54.95 1pyt s TYR 546 Cb 0.09 -2.37 -0.16 0.00 0.35 0.00 0.00 41.96 39.86 1pyt s TYR 546 CO 0.37 0.04 -0.16 0.25 -1.34 0.00 0.00 175.55 174.71 1pyt n THR 547 N 4.31 1.55 -0.73 4.34 -2.24 -1.26 -4.70 114.28 115.54 1pyt n THR 547 Ca -0.12 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 1pyt n THR 547 Cb 0.52 -1.71 -0.08 0.00 -2.10 0.00 0.00 70.33 66.96 1pyt n THR 547 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyt n GLY 548 N 1.73 2.69 0.00 3.38 0.00 -1.26 -4.82 105.19 106.92 1pyt n GLY 548 Ca -0.46 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1pyt n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyt n GLY 549 N 3.07 -0.14 3.77 -0.02 0.00 -1.26 -5.15 105.19 105.46 1pyt n GLY 549 Ca 0.37 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1pyt n GLY 549 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pyt s PRO 550 N -2.00 4.64 0.47 1.61 0.04 -1.26 -5.06 135.00 133.44 1pyt s PRO 550 Ca 0.00 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 1pyt s PRO 550 Cb 0.00 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 1pyt s PRO 550 CO 0.00 0.45 1.04 -0.51 0.04 0.00 0.00 177.00 178.01 1pyt s LEU 551 N -1.52 3.90 0.71 -3.56 1.02 -1.26 -5.05 118.68 112.93 1pyt s LEU 551 Ca 0.43 1.94 -0.15 0.00 0.02 0.00 0.00 54.13 56.37 1pyt s LEU 551 Cb -0.22 -4.49 0.03 0.00 0.02 0.00 0.00 46.19 41.53 1pyt s LEU 551 CO 0.27 -0.71 1.16 -2.84 0.02 0.00 0.00 176.35 174.25 1pyt s PRO 552 N -3.09 2.37 -0.23 1.29 0.02 -1.25 -4.95 135.00 129.16 1pyt s PRO 552 Ca 0.65 1.57 0.09 0.00 0.02 0.00 0.00 61.00 63.34 1pyt s PRO 552 Cb -0.17 -1.88 -0.21 0.00 0.02 0.00 0.00 34.50 32.26 1pyt s PRO 552 CO 0.21 -1.62 -0.07 -0.25 -0.33 0.00 0.00 177.00 174.94 1pyt n ASP 553 N -2.68 1.12 -4.88 2.53 8.00 -1.26 -4.95 116.55 114.43 1pyt n ASP 553 Ca 0.12 -0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 1pyt n ASP 553 Cb 0.51 0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 1pyt n ASP 553 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pyt s LYS 554 N -2.51 3.72 0.15 -1.24 1.02 -1.26 -0.79 119.74 118.84 1pyt s LYS 554 Ca -0.23 0.10 -0.32 0.00 0.02 0.00 0.00 55.97 55.54 1pyt s LYS 554 Cb 0.08 -2.84 -0.11 0.00 -0.52 0.00 0.00 37.83 34.43 1pyt s LYS 554 CO 0.71 0.45 1.78 -0.11 -0.92 0.00 0.00 175.35 177.26 1pyt n LEU 555 N 0.27 3.95 -4.94 3.17 7.94 -0.71 -4.81 117.00 121.88 1pyt n LEU 555 Ca -0.03 1.02 -0.23 0.00 -1.11 0.00 0.00 56.01 55.66 1pyt n LEU 555 Cb 0.52 -1.54 0.01 0.00 0.53 0.00 0.00 43.42 42.94 1pyt n LEU 555 CO 0.46 0.14 0.13 -1.10 -1.11 0.00 0.00 177.39 175.91 1pyt s GLN 556 N 2.10 2.33 0.13 1.96 -1.52 -0.18 -0.18 119.66 124.31 1pyt s GLN 556 Ca 0.80 -1.81 -0.23 0.00 -1.95 0.00 0.00 55.36 52.17 1pyt s GLN 556 Cb -0.51 -2.33 0.06 0.00 -0.22 0.00 0.00 33.01 30.02 1pyt s GLN 556 CO 0.36 -0.61 0.58 -1.83 -0.25 0.00 0.00 175.29 173.53 1pyt s GLU 557 N -4.37 1.22 -0.04 2.91 -1.05 -0.83 -3.00 118.70 113.54 1pyt s GLU 557 Ca 0.45 -0.44 -0.23 0.00 -0.15 0.00 0.00 54.97 54.60 1pyt s GLU 557 Cb -0.04 0.56 0.05 0.00 -0.44 0.00 0.00 34.13 34.26 1pyt s GLU 557 CO 0.28 -0.52 0.51 0.00 0.95 0.00 0.00 175.26 176.48 1pyt s ALA 558 N -3.51 -1.32 -0.62 -0.84 0.00 -1.01 -4.91 121.76 109.56 1pyt s ALA 558 Ca 0.00 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 52.63 1pyt s ALA 558 Cb -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.16 1pyt s ALA 558 CO -0.11 -0.32 0.94 -1.17 0.00 0.00 0.00 175.76 175.11 1pyt s LEU 559 N -1.16 4.34 -0.59 0.00 2.96 -1.26 -1.42 118.68 121.55 1pyt s LEU 559 Ca -0.11 -0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 52.93 1pyt s LEU 559 Cb -0.02 -2.52 0.15 0.00 0.50 0.00 0.00 46.19 44.30 1pyt s LEU 559 CO 0.07 -1.36 0.41 -0.76 -1.32 0.00 0.00 176.35 173.39 1pyt s LEU 560 N 3.97 5.34 0.22 -0.68 1.43 0.05 -4.92 118.68 124.10 1pyt s LEU 560 Ca 0.24 -2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 50.38 1pyt s LEU 560 Cb -0.16 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 1pyt s LEU 560 CO 0.13 -0.43 1.32 -2.16 0.23 0.00 0.00 176.35 175.44 1pyt s PRO 561 N 0.22 4.38 0.95 1.29 0.04 -1.26 -3.67 135.00 136.96 1pyt s PRO 561 Ca 0.15 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 1pyt s PRO 561 Cb -0.20 -3.17 0.16 0.00 0.04 0.00 0.00 34.50 31.33 1pyt s PRO 561 CO -0.04 -0.25 1.11 0.14 0.04 0.00 0.00 177.00 178.01 1pyt s VAL 562 N -0.11 2.27 -0.15 -0.36 -7.23 0.21 -0.55 120.40 114.49 1pyt s VAL 562 Ca 0.56 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1pyt s VAL 562 Cb -0.37 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.37 1pyt s VAL 562 CO 0.41 -0.12 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.27 1pyt s VAL 563 N -2.67 1.45 1.13 1.32 1.01 0.16 -1.88 120.40 120.92 1pyt s VAL 563 Ca 0.66 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1pyt s VAL 563 Cb -0.22 -1.41 0.27 0.00 0.00 0.00 0.00 36.38 35.01 1pyt s VAL 563 CO 0.59 0.39 1.04 1.51 0.00 0.00 0.00 175.10 178.63 1pyt s ASP 564 N 1.53 1.22 0.07 3.32 1.47 -1.26 -3.80 116.67 119.22 1pyt s ASP 564 Ca 0.04 1.60 -0.34 0.00 1.18 0.00 0.00 52.55 55.03 1pyt s ASP 564 Cb -0.13 -2.33 -0.17 0.00 -0.34 0.00 0.00 42.92 39.94 1pyt s ASP 564 CO -0.10 -4.07 1.52 0.22 0.68 0.00 0.00 175.17 173.43 1pyt h TYR 565 N -2.53 -1.28 0.00 2.11 5.03 -1.93 0.48 116.97 118.86 1pyt h TYR 565 Ca -0.59 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.72 1pyt h TYR 565 Cb 1.33 0.48 0.00 0.00 1.55 0.00 0.00 36.73 40.08 1pyt h TYR 565 CO 0.30 -0.66 0.00 -0.85 -1.32 0.00 0.00 178.16 175.63 1pyt n GLU 566 N -5.33 0.30 -0.02 1.82 0.00 -1.26 -0.20 120.64 115.95 1pyt n GLU 566 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.03 1pyt n GLU 566 Cb 0.45 -1.25 -0.05 0.00 0.00 0.00 0.00 31.44 30.58 1pyt n GLU 566 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1pyt n HIS 567 N -0.75 0.00 0.59 -1.84 8.25 -0.72 -4.48 115.22 116.26 1pyt n HIS 567 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.62 1pyt n HIS 567 Cb 0.02 -0.25 0.15 0.00 1.12 0.00 0.00 29.99 31.03 1pyt n HIS 567 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pyt h SER 569 N 0.00 0.00 -0.99 0.00 0.02 -0.84 -2.81 113.55 108.92 1pyt h SER 569 Ca 0.00 0.00 -0.86 0.00 -0.84 0.00 0.00 61.79 60.09 1pyt h SER 569 Cb 0.73 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.29 1pyt h SER 569 CO 0.00 0.87 0.61 0.00 -1.14 0.00 0.00 176.83 177.17 1pyt n GLN 570 N -3.09 0.00 -0.13 3.45 10.64 -1.26 -3.36 117.38 123.63 1pyt n GLN 570 Ca -0.10 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.20 1pyt n GLN 570 Cb 0.96 -1.49 0.24 0.00 -0.86 0.00 0.00 30.24 29.08 1pyt n GLN 570 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1pyt n TYR 570 N 3.68 0.47 1.54 2.61 0.18 -1.26 0.58 117.16 124.95 1pyt n TYR 570 Ca 0.29 0.48 0.12 0.00 1.88 0.00 0.00 57.90 60.68 1pyt n TYR 570 Cb -0.04 -0.93 0.54 0.00 -0.38 0.00 0.00 39.34 38.52 1pyt n TYR 570 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1pyt n ASP 570 N -3.93 1.14 0.00 9.48 5.68 -1.26 -4.25 116.55 123.40 1pyt n ASP 570 Ca 0.15 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1pyt n ASP 570 Cb 0.52 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1pyt n ASP 570 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1pyt n TRP 571 N -0.07 0.00 -0.29 2.11 7.02 0.20 -4.88 117.44 121.53 1pyt n TRP 571 Ca 0.18 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.69 1pyt n TRP 571 Cb 0.27 0.00 0.26 0.00 -2.42 0.00 0.00 31.31 29.42 1pyt n TRP 571 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1pyt n TRP 572 N 0.00 1.46 0.00 -5.99 5.03 -1.06 -4.87 117.44 112.00 1pyt n TRP 572 Ca 0.00 -0.56 0.00 0.00 3.03 0.00 0.00 57.50 59.97 1pyt n TRP 572 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 31.31 29.87 1pyt n TRP 572 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pyt n GLY 573 N 0.34 0.46 0.00 6.99 0.00 -1.21 -1.96 105.19 109.80 1pyt n GLY 573 Ca 0.20 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1pyt n GLY 573 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pyt n ILE 574 N 0.00 0.00 0.04 -0.61 -5.35 -1.26 -3.12 119.36 109.06 1pyt n ILE 574 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.41 1pyt n ILE 574 Cb 0.00 -0.23 -0.12 0.00 -1.74 0.00 0.00 39.64 37.55 1pyt n ILE 574 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1pyt h THR 575 N 0.00 1.37 -3.40 7.28 2.02 -1.77 -3.45 112.91 114.96 1pyt h THR 575 Ca 0.00 -3.10 -0.55 0.00 0.77 0.00 0.00 66.41 63.53 1pyt h THR 575 Cb 0.00 2.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1pyt h THR 575 CO 0.00 0.78 0.20 0.54 0.37 0.00 0.00 175.52 177.41 1pyt s VAL 576 N -2.69 4.92 0.27 3.16 0.11 -1.12 -4.79 120.40 120.25 1pyt s VAL 576 Ca -0.01 1.69 0.07 0.00 -2.93 0.00 0.00 61.98 60.81 1pyt s VAL 576 Cb 0.09 -4.15 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 1pyt s VAL 576 CO 0.82 0.24 0.20 -0.54 -3.33 0.00 0.00 175.10 172.49 1pyt s LYS 577 N 0.70 2.84 0.14 1.54 3.01 -1.26 -4.98 119.74 121.73 1pyt s LYS 577 Ca 0.43 -1.12 0.12 0.00 -1.01 0.00 0.00 55.97 54.38 1pyt s LYS 577 Cb -0.19 -2.52 0.58 0.00 -1.01 0.00 0.00 37.83 34.69 1pyt s LYS 577 CO 0.22 0.34 1.36 0.36 0.51 0.00 0.00 175.35 178.14 1pyt n LYS 578 N -1.19 0.07 0.00 1.68 2.85 -1.26 -0.64 118.16 119.66 1pyt n LYS 578 Ca -0.07 0.51 0.14 0.00 -1.05 0.00 0.00 58.31 57.85 1pyt n LYS 578 Cb 0.58 -1.70 0.56 0.00 -0.65 0.00 0.00 35.03 33.82 1pyt n LYS 578 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1pyt n THR 579 N -1.84 0.00 -4.43 0.58 -2.24 -1.26 -4.92 114.28 100.17 1pyt n THR 579 Ca 0.00 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1pyt n THR 579 Cb 0.05 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1pyt n THR 579 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1pyt s MET 580 N -2.08 1.79 0.03 -0.78 -1.94 0.18 -0.09 119.30 116.42 1pyt s MET 580 Ca 0.37 -1.66 0.08 0.00 -1.71 0.00 0.00 55.69 52.77 1pyt s MET 580 Cb 0.21 -1.87 -0.03 0.00 2.01 0.00 0.00 34.83 35.15 1pyt s MET 580 CO 0.37 0.35 -0.22 0.08 -0.01 0.00 0.00 175.02 175.59 1pyt s VAL 581 N -2.37 2.51 -0.02 -6.03 1.01 -0.57 -4.79 120.40 110.15 1pyt s VAL 581 Ca 0.29 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1pyt s VAL 581 Cb -0.06 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1pyt s VAL 581 CO 0.15 0.38 -0.16 0.00 0.00 0.00 0.00 175.10 175.48 1pyt s ALA 583 N -0.79 0.16 0.00 0.00 0.00 -0.87 0.37 121.76 120.63 1pyt s ALA 583 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1pyt s ALA 583 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1pyt s ALA 583 CO 0.02 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1pyt n GLY 584 N 4.03 0.82 0.11 0.00 0.00 0.29 -2.36 105.19 108.08 1pyt n GLY 584 Ca -0.26 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1pyt n GLY 584 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyt n GLY 585 N 0.00 0.41 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.53 1pyt n GLY 585 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pyt n GLY 585 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pyt n ASP 586 N 0.00 0.00 0.22 1.61 8.00 -1.26 0.01 116.55 125.12 1pyt n ASP 586 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1pyt n ASP 586 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.55 1pyt n ASP 586 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1pyt h THR 587 N 0.00 0.64 -3.11 -3.53 2.02 -1.96 -3.40 112.91 103.57 1pyt h THR 587 Ca 0.00 -1.18 -0.53 0.00 0.77 0.00 0.00 66.41 65.48 1pyt h THR 587 Cb 0.00 1.77 0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1pyt h THR 587 CO 0.00 0.25 0.82 -0.60 0.37 0.00 0.00 175.52 176.36 1pyt s ARG 588 N -3.68 4.24 0.60 6.66 3.52 -1.26 -4.97 118.95 124.05 1pyt s ARG 588 Ca 0.00 2.34 -0.08 0.00 -0.13 0.00 0.00 55.73 57.86 1pyt s ARG 588 Cb 0.11 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1pyt s ARG 588 CO 0.65 -0.52 0.95 0.45 -0.81 0.00 0.00 175.30 176.02 1pyt s SER 589 N 0.76 5.84 0.00 -2.12 0.15 -1.26 -4.58 113.70 112.48 1pyt s SER 589 Ca 0.65 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1pyt s SER 589 Cb -0.43 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1pyt s SER 589 CO 0.37 -0.99 0.47 0.61 1.20 0.00 0.00 173.24 174.91 1pyt n GLY 590 N -2.65 -0.72 0.00 9.45 0.00 -0.26 -4.80 105.19 106.20 1pyt n GLY 590 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1pyt n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyt n ASP 592 N -1.08 0.71 -4.89 0.00 9.92 -1.26 -4.16 116.55 115.78 1pyt n ASP 592 Ca 0.06 -1.06 -0.21 0.00 -0.53 0.00 0.00 54.79 53.05 1pyt n ASP 592 Cb 0.04 -0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 1pyt n ASP 592 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1pyt s GLY 593 N -2.15 2.14 0.28 0.44 0.00 -1.18 -2.14 107.32 104.70 1pyt s GLY 593 Ca 0.38 -1.83 0.11 0.00 0.00 0.00 0.00 44.72 43.38 1pyt s GLY 593 CO 0.39 -1.72 -0.11 0.99 0.00 0.00 0.00 173.10 172.66 1pyt s ASP 594 N -4.18 4.02 0.53 1.64 1.01 -1.26 -1.82 116.67 116.60 1pyt s ASP 594 Ca 0.48 -0.87 -0.22 0.00 0.71 0.00 0.00 52.55 52.64 1pyt s ASP 594 Cb -0.03 -0.54 -0.06 0.00 1.01 0.00 0.00 42.92 43.30 1pyt s ASP 594 CO 0.28 0.01 1.37 -1.20 0.21 0.00 0.00 175.17 175.84 1pyt n SER 595 N -0.75 2.79 0.00 0.27 7.64 -1.26 -1.20 113.62 121.10 1pyt n SER 595 Ca -0.06 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1pyt n SER 595 Cb 0.60 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1pyt n SER 595 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pyt n GLY 596 N 0.73 0.38 3.88 0.23 0.00 0.61 -0.70 105.19 110.32 1pyt n GLY 596 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1pyt n GLY 596 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pyt s GLY 597 N -2.00 1.63 0.41 -0.02 0.00 -0.34 -3.22 107.32 103.78 1pyt s GLY 597 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 44.72 44.28 1pyt s GLY 597 CO 0.00 0.06 1.06 2.56 0.00 0.00 0.00 173.10 176.78 1pyt s PRO 598 N -5.13 4.10 -0.50 2.90 0.04 -1.26 -0.92 135.00 134.23 1pyt s PRO 598 Ca 0.54 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1pyt s PRO 598 Cb -0.11 -2.51 0.13 0.00 0.04 0.00 0.00 34.50 32.05 1pyt s PRO 598 CO 0.52 -0.20 0.27 -1.17 0.04 0.00 0.00 177.00 176.45 1pyt s LEU 599 N -2.72 4.77 0.03 -3.56 2.96 -1.11 -3.76 118.68 115.30 1pyt s LEU 599 Ca 0.59 -2.69 -0.24 0.00 -0.22 0.00 0.00 54.13 51.56 1pyt s LEU 599 Cb -0.23 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1pyt s LEU 599 CO 0.28 -0.34 0.74 0.20 -1.32 0.00 0.00 176.35 175.92 1pyt s ASN 600 N 0.46 7.17 0.09 3.68 0.01 -1.09 -0.41 114.94 124.86 1pyt s ASN 600 Ca 0.15 1.40 0.07 0.00 -0.71 0.00 0.00 52.86 53.77 1pyt s ASN 600 Cb -0.23 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 1pyt s ASN 600 CO -0.03 0.02 -0.19 0.00 -1.51 0.00 0.00 177.10 175.38 1pyt s PRO 602 N -1.80 3.53 1.38 0.00 0.05 -1.26 0.30 135.00 137.19 1pyt s PRO 602 Ca 0.05 0.39 -0.21 0.00 0.05 0.00 0.00 61.00 61.28 1pyt s PRO 602 Cb -0.10 -4.01 0.34 0.00 0.05 0.00 0.00 34.50 30.79 1pyt s PRO 602 CO 0.04 -1.65 0.85 0.00 0.05 0.00 0.00 177.00 176.28 1pyt n ALA 603 N 8.53 -4.38 -3.10 8.56 0.00 0.19 -4.89 120.51 125.41 1pyt n ALA 603 Ca 0.10 -1.71 -0.45 0.00 0.00 0.00 0.00 53.44 51.38 1pyt n ALA 603 Cb 0.49 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1pyt n ALA 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyt s ALA 604 N -2.18 3.78 0.00 0.00 0.00 -1.26 -3.37 121.76 118.72 1pyt s ALA 604 Ca 0.65 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1pyt s ALA 604 Cb -0.15 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1pyt s ALA 604 CO 0.58 -2.66 0.00 -3.47 0.00 0.00 0.00 175.76 170.20 1pyt n ASP 605 N 5.29 0.00 0.00 0.00 -0.08 -1.26 -4.95 116.55 115.55 1pyt n ASP 605 Ca 0.22 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1pyt n ASP 605 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1pyt n ASP 605 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pyt n GLY 605 N 0.00 1.80 3.76 0.27 0.00 -1.22 -5.08 105.19 104.72 1pyt n GLY 605 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1pyt n GLY 605 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pyt s SER 606 N -0.25 3.36 0.06 1.61 1.04 -1.26 -4.72 113.70 113.55 1pyt s SER 606 Ca 0.00 1.07 0.03 0.00 0.48 0.00 0.00 55.95 57.53 1pyt s SER 606 Cb 0.00 -1.69 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 1pyt s SER 606 CO 0.00 -2.65 0.03 0.26 0.98 0.00 0.00 173.24 171.85 1pyt s TRP 607 N -3.17 3.09 -0.05 5.02 0.52 -1.26 0.53 118.94 123.62 1pyt s TRP 607 Ca 0.64 0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.85 1pyt s TRP 607 Cb -0.16 -1.61 -0.00 0.00 -1.15 0.00 0.00 33.47 30.55 1pyt s TRP 607 CO 0.55 0.49 -0.17 -0.65 0.02 0.00 0.00 176.95 177.19 1pyt s GLN 608 N -2.08 1.80 -0.84 4.98 -0.21 0.15 -4.05 119.66 119.40 1pyt s GLN 608 Ca 0.25 -0.60 -0.25 0.00 0.02 0.00 0.00 55.36 54.78 1pyt s GLN 608 Cb -0.12 -1.55 0.02 0.00 1.00 0.00 0.00 33.01 32.36 1pyt s GLN 608 CO 0.17 0.23 1.53 0.08 -2.12 0.00 0.00 175.29 175.18 1pyt s VAL 609 N 0.09 3.69 0.01 1.09 1.01 0.06 -0.28 120.40 126.07 1pyt s VAL 609 Ca -0.05 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1pyt s VAL 609 Cb -0.12 -4.68 -0.14 0.00 0.00 0.00 0.00 36.38 31.44 1pyt s VAL 609 CO 0.02 -1.60 1.19 0.45 0.00 0.00 0.00 175.10 175.16 1pyt h HIS 610 N 10.90 0.00 -3.39 5.22 3.86 -1.04 -3.39 115.15 127.31 1pyt h HIS 610 Ca -0.05 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.78 1pyt h HIS 610 Cb 1.05 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.37 1pyt h HIS 610 CO 1.18 0.85 -0.64 0.20 0.86 0.00 0.00 177.93 180.39 1pyt s GLY 611 N -4.72 1.68 -0.28 2.45 0.00 -1.02 -2.57 107.32 102.86 1pyt s GLY 611 Ca 0.01 -1.84 -0.03 0.00 0.00 0.00 0.00 44.72 42.86 1pyt s GLY 611 CO 0.80 -1.66 0.11 0.14 0.00 0.00 0.00 173.10 172.48 1pyt s VAL 612 N -3.51 0.36 -0.36 1.40 1.01 -1.03 -2.73 120.40 115.54 1pyt s VAL 612 Ca 0.32 -0.97 -0.43 0.00 0.00 0.00 0.00 61.98 60.90 1pyt s VAL 612 Cb 0.07 -1.24 -0.18 0.00 0.00 0.00 0.00 36.38 35.03 1pyt s VAL 612 CO 0.11 -0.64 1.64 0.41 0.00 0.00 0.00 175.10 176.62 1pyt n THR 613 N 5.07 0.14 0.00 3.92 -1.04 -0.10 -1.22 114.28 121.06 1pyt n THR 613 Ca -0.05 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1pyt n THR 613 Cb 0.43 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1pyt n THR 613 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pyt n SER 614 N 4.49 0.00 -4.12 8.00 2.88 -0.65 -0.28 113.62 123.95 1pyt n SER 614 Ca 0.28 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1pyt n SER 614 Cb 0.04 -0.33 -0.09 0.00 -0.75 0.00 0.00 64.21 63.09 1pyt n SER 614 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1pyt s PHE 615 N -0.97 0.84 0.37 0.66 -0.71 -1.09 -4.79 117.98 112.28 1pyt s PHE 615 Ca 0.00 -1.13 0.04 0.00 -1.04 0.00 0.00 56.93 54.80 1pyt s PHE 615 Cb 0.00 -0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.46 1pyt s PHE 615 CO 0.00 -0.70 0.16 0.14 -1.34 0.00 0.00 175.22 173.48 1pyt s VAL 616 N -4.09 0.44 0.69 -2.49 -7.23 -1.26 -1.53 120.40 104.94 1pyt s VAL 616 Ca 0.30 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 1pyt s VAL 616 Cb 0.05 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.58 1pyt s VAL 616 CO 0.08 0.00 1.11 -0.55 -0.31 0.00 0.00 175.10 175.43 1pyt s SER 617 N -3.51 4.87 0.25 4.85 0.15 -1.25 -4.94 113.70 114.13 1pyt s SER 617 Ca 0.30 1.98 -0.02 0.00 0.70 0.00 0.00 55.95 58.91 1pyt s SER 617 Cb 0.03 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 62.09 1pyt s SER 617 CO 0.18 -1.79 1.71 0.00 1.20 0.00 0.00 173.24 174.54 1pyt h ALA 617 N -0.29 1.03 0.00 5.45 0.00 -2.01 -2.86 119.26 120.58 1pyt h ALA 617 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1pyt h ALA 617 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pyt h ALA 617 CO 0.53 0.59 0.00 1.19 0.00 0.00 0.00 179.25 181.56 1pyt n PHE 618 N -4.17 0.49 0.00 0.00 3.72 -1.26 -4.95 117.46 111.28 1pyt n PHE 618 Ca 0.01 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1pyt n PHE 618 Cb 0.36 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 1pyt n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pyt n GLY 619 N 0.03 3.93 1.71 1.37 0.00 -1.08 -4.90 105.19 106.24 1pyt n GLY 619 Ca 0.03 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1pyt n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyt n ASN 621 N 0.25 -1.95 -3.90 0.00 4.05 -1.26 -1.10 115.26 111.35 1pyt n ASN 621 Ca 0.25 -1.61 -0.23 0.00 0.45 0.00 0.00 54.58 53.44 1pyt n ASN 621 Cb 0.73 1.01 -0.17 0.00 1.23 0.00 0.00 39.78 42.58 1pyt n ASN 621 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1pyt s THR 621 N 0.82 0.75 0.30 -0.44 2.01 -1.26 -5.05 115.64 112.77 1pyt s THR 621 Ca 0.26 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 1pyt s THR 621 Cb 0.12 -0.78 -0.10 0.00 0.01 0.00 0.00 72.50 71.75 1pyt s THR 621 CO -0.10 0.30 1.39 0.27 -0.69 0.00 0.00 174.62 175.79 1pyt s ILE 622 N 1.29 2.61 0.00 1.82 -4.36 -1.26 -2.55 121.20 118.75 1pyt s ILE 622 Ca -0.04 0.56 0.00 0.00 -0.26 0.00 0.00 60.65 60.91 1pyt s ILE 622 Cb -0.14 -3.36 0.00 0.00 1.25 0.00 0.00 42.46 40.22 1pyt s ILE 622 CO -0.02 0.11 0.00 0.29 0.24 0.00 0.00 174.94 175.56 1pyt n LYS 623 N 1.50 -0.03 -3.51 0.37 5.02 0.10 -4.95 118.16 116.66 1pyt n LYS 623 Ca 0.03 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 1pyt n LYS 623 Cb 0.41 -2.84 -0.10 0.00 -0.02 0.00 0.00 35.03 32.47 1pyt n LYS 623 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pyt n LYS 624 N -2.52 0.63 -2.40 1.97 4.76 -1.06 -3.96 118.16 115.58 1pyt n LYS 624 Ca 0.00 -3.51 -0.35 0.00 -2.87 0.00 0.00 58.31 51.58 1pyt n LYS 624 Cb 0.01 -1.81 -0.02 0.00 -1.84 0.00 0.00 35.03 31.37 1pyt n LYS 624 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pyt s PRO 625 N -0.38 3.63 -0.03 1.97 0.04 -1.26 -4.47 135.00 134.49 1pyt s PRO 625 Ca 0.31 1.51 -0.32 0.00 0.04 0.00 0.00 61.00 62.54 1pyt s PRO 625 Cb 0.03 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1pyt s PRO 625 CO -0.19 -0.60 1.96 2.41 0.04 0.00 0.00 177.00 180.62 1pyt n THR 626 N -1.02 0.67 -3.04 1.26 -1.04 -0.99 -4.69 114.28 105.42 1pyt n THR 626 Ca 0.10 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.56 1pyt n THR 626 Cb 0.51 -2.16 -0.05 0.00 -1.82 0.00 0.00 70.33 66.81 1pyt n THR 626 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pyt s VAL 627 N 4.62 5.04 0.32 12.58 1.01 -0.58 -2.05 120.40 141.34 1pyt s VAL 627 Ca 0.92 1.45 0.09 0.00 0.00 0.00 0.00 61.98 64.44 1pyt s VAL 627 Cb -0.53 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1pyt s VAL 627 CO 0.45 0.24 0.02 -0.36 0.00 0.00 0.00 175.10 175.46 1pyt s PHE 628 N 0.84 2.59 -0.11 5.22 0.40 0.13 -1.63 117.98 125.42 1pyt s PHE 628 Ca 0.38 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 56.19 1pyt s PHE 628 Cb -0.18 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 1pyt s PHE 628 CO 0.18 0.50 0.35 0.99 0.70 0.00 0.00 175.22 177.94 1pyt s THR 629 N -2.46 5.23 -0.66 0.64 2.01 -0.35 -1.51 115.64 118.54 1pyt s THR 629 Ca 0.34 0.68 -0.27 0.00 0.31 0.00 0.00 61.69 62.74 1pyt s THR 629 Cb -0.02 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.84 1pyt s THR 629 CO 0.20 0.44 1.38 -0.60 -0.69 0.00 0.00 174.62 175.35 1pyt s ARG 630 N 0.02 3.18 0.00 4.92 3.52 0.87 -2.47 118.95 128.98 1pyt s ARG 630 Ca 0.20 0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1pyt s ARG 630 Cb -0.14 -4.18 0.20 0.00 -1.56 0.00 0.00 34.95 29.27 1pyt s ARG 630 CO 0.07 -2.13 0.92 1.55 -0.81 0.00 0.00 175.30 174.91 1pyt n VAL 631 N 6.63 0.87 0.04 7.11 3.14 -1.06 -1.32 118.33 133.75 1pyt n VAL 631 Ca 0.08 0.22 -0.19 0.00 -2.96 0.00 0.00 64.34 61.49 1pyt n VAL 631 Cb 0.49 -1.15 -0.14 0.00 -1.06 0.00 0.00 33.84 31.98 1pyt n VAL 631 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1pyt h SER 632 N 0.00 0.44 0.22 6.55 4.64 -1.89 -3.31 113.55 120.21 1pyt h SER 632 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1pyt h SER 632 Cb 0.03 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1pyt h SER 632 CO 0.00 1.62 0.00 0.00 -0.87 0.00 0.00 176.83 177.58 1pyt n ALA 633 N -2.80 1.24 -1.61 5.18 0.00 -0.43 -2.11 120.51 119.98 1pyt n ALA 633 Ca -0.23 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1pyt n ALA 633 Cb 1.06 -1.26 0.19 0.00 0.00 0.00 0.00 19.45 19.43 1pyt n ALA 633 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pyt n PHE 634 N -2.03 0.50 -0.04 0.00 3.72 -1.24 -4.72 117.46 113.66 1pyt n PHE 634 Ca 0.00 -1.60 -0.16 0.00 -0.05 0.00 0.00 57.45 55.64 1pyt n PHE 634 Cb 0.09 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.23 1pyt n PHE 634 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1pyt h ILE 635 N 1.11 1.34 0.61 4.37 1.08 -1.53 -1.85 117.51 122.63 1pyt h ILE 635 Ca 0.09 -1.80 -0.02 0.00 -0.39 0.00 0.00 64.86 62.74 1pyt h ILE 635 Cb 1.19 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1pyt h ILE 635 CO 0.16 0.55 -0.42 0.44 -0.69 0.00 0.00 178.15 178.19 1pyt h ASP 636 N 0.26 -1.09 -0.01 1.72 5.19 -1.84 -2.37 116.42 118.28 1pyt h ASP 636 Ca -0.03 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1pyt h ASP 636 Cb 1.15 0.33 -0.05 0.00 0.18 0.00 0.00 39.33 40.95 1pyt h ASP 636 CO 0.11 -0.63 -0.45 -0.25 -3.12 0.00 0.00 179.24 174.90 1pyt h TRP 637 N -0.99 -1.31 -0.80 4.55 7.01 -1.90 -2.58 115.95 119.92 1pyt h TRP 637 Ca -0.07 0.04 0.17 0.00 2.11 0.00 0.00 58.89 61.14 1pyt h TRP 637 Cb 0.82 0.57 -0.15 0.00 -2.10 0.00 0.00 29.16 28.30 1pyt h TRP 637 CO -0.14 -0.47 -0.15 0.82 -2.79 0.00 0.00 178.44 175.71 1pyt h ILE 638 N -0.55 0.21 -0.61 2.65 2.04 -1.30 -1.47 117.51 118.48 1pyt h ILE 638 Ca 0.01 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1pyt h ILE 638 Cb 0.60 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1pyt h ILE 638 CO -0.30 0.00 0.30 0.78 0.00 0.00 0.00 178.15 178.94 1pyt h ASN 639 N 0.02 0.79 0.38 1.72 -0.26 -1.09 -2.28 115.58 114.85 1pyt h ASN 639 Ca 0.40 -0.12 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 1pyt h ASN 639 Cb 0.65 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1pyt h ASN 639 CO -0.80 0.69 -0.18 -0.33 -1.06 0.00 0.00 177.43 175.75 1pyt h GLU 640 N 0.84 -0.49 -0.83 0.81 5.08 -0.91 -0.15 114.58 118.92 1pyt h GLU 640 Ca 0.21 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.76 1pyt h GLU 640 Cb 0.10 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.31 1pyt h GLU 640 CO -0.03 -0.19 -0.26 1.15 -1.00 0.00 0.00 179.01 178.68 1pyt h THR 641 N -0.81 0.13 -0.62 1.13 2.02 -1.35 2.97 112.91 116.39 1pyt h THR 641 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1pyt h THR 641 Cb 0.53 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1pyt h THR 641 CO 0.09 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.70 1pyt h ILE 642 N -0.03 1.19 0.23 3.11 2.04 -1.37 -2.10 117.51 120.59 1pyt h ILE 642 Ca 0.37 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1pyt h ILE 642 Cb 0.60 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1pyt h ILE 642 CO -0.86 0.22 -0.11 0.00 0.00 0.00 0.00 178.15 177.40 1pyt h ALA 643 N 1.50 -0.46 0.00 1.87 0.00 0.66 -3.32 119.26 119.51 1pyt h ALA 643 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pyt h ALA 643 Cb 0.04 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pyt h ALA 643 CO -0.03 -0.44 0.00 0.43 0.00 0.00 0.00 179.25 179.20 1pyt n SER 644 N -3.80 0.00 0.00 0.00 7.64 0.42 -5.07 113.62 112.81 1pyt n SER 644 Ca -0.04 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1pyt n SER 644 Cb 0.12 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1pyt n SER 644 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62