#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuf s PRO 492 N 0.00 4.52 0.01 1.61 0.02 -1.26 -4.93 135.00 134.97 2kuf s PRO 492 Ca 0.00 1.61 0.24 0.00 0.02 0.00 0.00 61.00 62.87 2kuf s PRO 492 Cb 0.00 -2.96 0.30 0.00 0.02 0.00 0.00 34.50 31.87 2kuf s PRO 492 CO 0.00 0.16 1.27 0.00 -0.33 0.00 0.00 177.00 178.10 2kuf n ALA 493 N 0.77 3.78 -2.88 -1.55 0.00 -1.26 -4.83 120.51 114.54 2kuf n ALA 493 Ca 0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 2kuf n ALA 493 Cb 0.47 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 2kuf n ALA 493 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kuf s THR 494 N -3.02 0.33 0.07 0.00 -4.23 -1.26 -0.39 115.64 107.13 2kuf s THR 494 Ca 0.10 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 2kuf s THR 494 Cb 0.17 -0.40 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 2kuf s THR 494 CO 0.75 -0.30 -0.14 -0.54 -0.54 0.00 0.00 174.62 173.84 2kuf s LYS 495 N -1.16 0.81 0.02 3.99 1.02 0.10 -4.78 119.74 119.75 2kuf s LYS 495 Ca -0.09 -0.93 -0.22 0.00 0.02 0.00 0.00 55.97 54.75 2kuf s LYS 495 Cb -0.08 -0.81 -0.06 0.00 -0.52 0.00 0.00 37.83 36.36 2kuf s LYS 495 CO -0.00 0.18 0.64 0.16 -0.92 0.00 0.00 175.35 175.41 2kuf s ASP 496 N -1.69 7.06 -0.08 2.83 -4.77 -1.26 -0.10 116.67 118.65 2kuf s ASP 496 Ca -0.02 1.26 -0.22 0.00 -3.30 0.00 0.00 52.55 50.27 2kuf s ASP 496 Cb -0.10 -2.39 -0.04 0.00 -1.09 0.00 0.00 42.92 39.30 2kuf s ASP 496 CO 0.02 0.10 0.62 0.27 0.70 0.00 0.00 175.17 176.88 2kuf s ILE 497 N -0.29 5.08 0.70 2.11 -4.36 -0.25 -4.95 121.20 119.24 2kuf s ILE 497 Ca 0.33 1.27 -0.04 0.00 -0.26 0.00 0.00 60.65 61.95 2kuf s ILE 497 Cb -0.19 -3.96 0.08 0.00 1.25 0.00 0.00 42.46 39.64 2kuf s ILE 497 CO 0.19 0.29 0.98 -2.16 0.24 0.00 0.00 174.94 174.48 2kuf s PRO 498 N 0.66 1.99 -0.40 0.37 0.04 -1.26 -0.78 135.00 135.62 2kuf s PRO 498 Ca 0.33 -0.62 -0.20 0.00 0.04 0.00 0.00 61.00 60.56 2kuf s PRO 498 Cb -0.17 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2kuf s PRO 498 CO 0.16 -1.28 0.60 0.34 0.04 0.00 0.00 177.00 176.86 2kuf s ASP 499 N -4.59 6.33 -0.13 6.66 2.15 -1.26 -4.79 116.67 121.04 2kuf s ASP 499 Ca 0.62 -0.20 0.16 0.00 0.43 0.00 0.00 52.55 53.56 2kuf s ASP 499 Cb -0.09 -2.30 0.58 0.00 -0.30 0.00 0.00 42.92 40.81 2kuf s ASP 499 CO 0.44 -0.67 1.50 1.33 -0.17 0.00 0.00 175.17 177.60 2kuf n VAL 500 N 5.69 1.97 -1.90 1.11 0.24 -1.26 -4.95 118.33 119.21 2kuf n VAL 500 Ca -0.03 -1.44 -0.35 0.00 -2.04 0.00 0.00 64.34 60.48 2kuf n VAL 500 Cb 0.48 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 2kuf n VAL 500 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kuf s ALA 501 N -2.17 1.89 0.00 2.33 0.00 -1.24 -2.08 121.76 120.49 2kuf s ALA 501 Ca 0.43 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2kuf s ALA 501 Cb 0.30 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2kuf s ALA 501 CO 0.16 -4.27 0.00 0.41 0.00 0.00 0.00 175.76 172.06 2kuf n GLY 502 N 5.99 0.98 3.92 0.00 0.00 -0.64 -4.95 105.19 110.48 2kuf n GLY 502 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 2kuf n GLY 502 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kuf s GLN 503 N 0.00 1.91 0.62 1.61 -0.21 -0.88 -4.84 119.66 117.86 2kuf s GLN 503 Ca 0.00 -0.14 -0.15 0.00 0.02 0.00 0.00 55.36 55.10 2kuf s GLN 503 Cb 0.00 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 2kuf s GLN 503 CO 0.00 -1.53 1.06 0.99 -2.12 0.00 0.00 175.29 173.69 2kuf s THR 504 N -3.46 3.84 0.20 -0.19 2.01 -1.26 -1.83 115.64 114.94 2kuf s THR 504 Ca 0.63 0.80 -0.10 0.00 0.31 0.00 0.00 61.69 63.33 2kuf s THR 504 Cb -0.10 -3.37 0.13 0.00 0.01 0.00 0.00 72.50 69.17 2kuf s THR 504 CO 0.47 -0.58 1.80 1.62 -0.69 0.00 0.00 174.62 177.25 2kuf h VAL 505 N 0.15 1.23 -0.72 3.82 3.04 -1.54 0.23 116.25 122.46 2kuf h VAL 505 Ca -0.46 -0.60 -0.03 0.00 -1.01 0.00 0.00 66.70 64.61 2kuf h VAL 505 Cb 1.22 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 30.77 2kuf h VAL 505 CO 0.57 0.26 0.34 -0.78 -1.01 0.00 0.00 177.57 176.95 2kuf h ASP 506 N 0.99 0.94 -0.33 3.17 3.58 -1.92 0.64 116.42 123.49 2kuf h ASP 506 Ca 0.25 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 2kuf h ASP 506 Cb 0.07 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2kuf h ASP 506 CO -0.04 0.81 -0.06 0.58 -2.88 0.00 0.00 179.24 177.66 2kuf h VAL 507 N 1.00 1.27 -0.94 2.25 2.07 -1.79 0.38 116.25 120.50 2kuf h VAL 507 Ca 0.25 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2kuf h VAL 507 Cb 0.12 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2kuf h VAL 507 CO -0.03 0.35 0.57 0.00 0.02 0.00 0.00 177.57 178.48 2kuf h ALA 508 N 0.82 1.23 -0.42 1.67 0.00 -0.22 0.38 119.26 122.72 2kuf h ALA 508 Ca 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kuf h ALA 508 Cb 0.54 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kuf h ALA 508 CO 0.03 0.66 0.07 1.96 0.00 0.00 0.00 179.25 181.97 2kuf h GLN 509 N 1.29 0.69 -0.36 0.00 4.20 -0.44 0.19 115.11 120.68 2kuf h GLN 509 Ca 0.34 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2kuf h GLN 509 Cb -0.06 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2kuf h GLN 509 CO -0.06 0.72 0.12 0.87 -0.67 0.00 0.00 178.83 179.80 2kuf h LYS 510 N 0.54 0.56 -0.65 1.46 1.79 -0.49 -0.66 116.57 119.13 2kuf h LYS 510 Ca 0.13 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2kuf h LYS 510 Cb 0.36 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 2kuf h LYS 510 CO 0.01 0.58 0.37 -0.97 -1.08 0.00 0.00 179.45 178.36 2kuf h ASN 511 N 0.44 0.79 -0.23 0.86 -1.24 -0.01 -0.07 115.58 116.12 2kuf h ASN 511 Ca 0.12 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 2kuf h ASN 511 Cb 0.25 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2kuf h ASN 511 CO -0.00 0.64 -0.05 0.25 -1.29 0.00 0.00 177.43 176.98 2kuf h LEU 512 N 0.88 0.44 -1.11 0.34 5.85 -0.51 -3.18 115.31 118.03 2kuf h LEU 512 Ca 0.23 -0.36 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2kuf h LEU 512 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2kuf h LEU 512 CO -0.04 0.70 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.57 2kuf h ASN 513 N 0.18 0.54 -0.50 1.25 -0.73 -0.29 0.35 115.58 116.37 2kuf h ASN 513 Ca 0.06 -0.12 0.08 0.00 1.87 0.00 0.00 56.30 58.18 2kuf h ASN 513 Cb 0.50 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 2kuf h ASN 513 CO 0.02 0.65 0.34 0.58 -0.37 0.00 0.00 177.43 178.65 2kuf h VAL 514 N 0.53 0.93 -0.05 2.57 2.07 -1.01 0.19 116.25 121.48 2kuf h VAL 514 Ca 0.11 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2kuf h VAL 514 Cb 0.42 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2kuf h VAL 514 CO 0.02 0.07 0.00 -1.22 0.02 0.00 0.00 177.57 176.46 2kuf n TYR 515 N -4.47 0.06 0.01 1.57 4.01 -0.94 -4.76 117.16 112.65 2kuf n TYR 515 Ca 0.07 -0.43 -0.03 0.00 -0.16 0.00 0.00 57.90 57.36 2kuf n TYR 515 Cb 0.31 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.29 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kuf n GLY 516 N -0.27 -0.17 2.48 2.72 0.00 0.12 -4.98 105.19 105.07 2kuf n GLY 516 Ca 0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2kuf n GLY 516 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kuf n PHE 517 N -3.73 0.00 -2.47 1.61 3.72 0.61 -4.97 117.46 112.22 2kuf n PHE 517 Ca -0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.21 2kuf n PHE 517 Cb 0.19 -2.51 0.07 0.00 -0.94 0.00 0.00 39.48 36.29 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kuf n THR 518 N -2.52 0.00 -4.36 4.37 -2.24 -1.26 -5.08 114.28 103.18 2kuf n THR 518 Ca -0.13 -0.95 -0.34 0.00 -2.27 0.00 0.00 64.05 60.36 2kuf n THR 518 Cb 0.48 -1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 2kuf n THR 518 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuf s LYS 519 N -4.02 2.86 0.11 -0.78 1.02 -1.26 -4.92 119.74 112.76 2kuf s LYS 519 Ca 0.40 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 55.93 2kuf s LYS 519 Cb -0.02 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 2kuf s LYS 519 CO 0.26 0.66 -0.15 -0.59 -0.92 0.00 0.00 175.35 174.62 2kuf s PHE 520 N -0.97 1.42 0.04 3.18 -0.12 -1.26 -0.24 117.98 120.03 2kuf s PHE 520 Ca 0.16 -0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 56.51 2kuf s PHE 520 Cb -0.11 -0.75 -0.03 0.00 -0.63 0.00 0.00 43.02 41.49 2kuf s PHE 520 CO 0.06 0.14 -0.03 -1.12 -0.05 0.00 0.00 175.22 174.22 2kuf s SER 521 N -2.27 0.38 -0.13 1.98 0.01 0.67 -4.87 113.70 109.47 2kuf s SER 521 Ca 0.07 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.56 2kuf s SER 521 Cb -0.06 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.34 2kuf s SER 521 CO 0.03 -0.47 -0.16 0.00 0.41 0.00 0.00 173.24 173.05 2kuf s GLN 522 N -2.86 2.37 -0.26 12.44 -2.07 -1.26 -0.23 119.66 127.79 2kuf s GLN 522 Ca -0.03 -0.60 -0.08 0.00 -1.82 0.00 0.00 55.36 52.83 2kuf s GLN 522 Cb 0.00 -2.06 -0.03 0.00 -1.09 0.00 0.00 33.01 29.84 2kuf s GLN 522 CO -0.06 -0.12 0.09 0.00 -1.32 0.00 0.00 175.29 173.87 2kuf s ALA 523 N 1.16 3.20 -0.14 2.60 0.00 0.52 -4.94 121.76 124.16 2kuf s ALA 523 Ca -0.02 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 2kuf s ALA 523 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 2kuf s ALA 523 CO -0.05 -0.56 0.12 -1.12 0.00 0.00 0.00 175.76 174.15 2kuf s SER 524 N 1.62 6.22 0.03 0.00 0.01 -1.26 -0.15 113.70 120.18 2kuf s SER 524 Ca 0.06 0.37 -0.06 0.00 1.31 0.00 0.00 55.95 57.63 2kuf s SER 524 Cb -0.15 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 2kuf s SER 524 CO 0.04 0.34 0.11 0.54 0.41 0.00 0.00 173.24 174.69 2kuf s VAL 525 N -0.63 0.12 0.09 3.43 0.11 -0.15 -4.95 120.40 118.42 2kuf s VAL 525 Ca 0.13 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.92 2kuf s VAL 525 Cb -0.12 -0.80 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 2kuf s VAL 525 CO 0.02 -0.55 0.79 1.51 -3.33 0.00 0.00 175.10 173.54 2kuf s ASP 526 N -1.98 7.29 0.29 3.54 1.47 -1.26 -0.44 116.67 125.59 2kuf s ASP 526 Ca -0.07 1.54 -0.19 0.00 1.18 0.00 0.00 52.55 55.01 2kuf s ASP 526 Cb -0.02 -2.49 0.02 0.00 -0.34 0.00 0.00 42.92 40.09 2kuf s ASP 526 CO -0.03 0.07 0.70 -0.44 0.68 0.00 0.00 175.17 176.15 2kuf s SER 527 N -0.38 -0.19 0.01 2.11 0.01 -0.55 -4.87 113.70 109.82 2kuf s SER 527 Ca 0.38 -0.73 0.13 0.00 1.31 0.00 0.00 55.95 57.05 2kuf s SER 527 Cb -0.22 0.73 0.57 0.00 0.21 0.00 0.00 66.02 67.32 2kuf s SER 527 CO 0.25 -1.38 1.43 -0.81 0.41 0.00 0.00 173.24 173.13 2kuf n PRO 528 N -0.46 0.00 -2.39 12.44 -0.04 -1.26 -3.73 135.00 139.56 2kuf n PRO 528 Ca -0.04 0.28 -0.40 0.00 -0.04 0.00 0.00 63.50 63.29 2kuf n PRO 528 Cb 0.59 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kuf s ARG 529 N -3.01 4.56 0.61 0.54 1.81 -1.26 -4.90 118.95 117.30 2kuf s ARG 529 Ca 0.06 1.90 -0.18 0.00 -1.72 0.00 0.00 55.73 55.79 2kuf s ARG 529 Cb 0.09 -3.15 -0.02 0.00 -0.45 0.00 0.00 34.95 31.42 2kuf s ARG 529 CO 0.24 0.11 1.18 -1.25 -0.68 0.00 0.00 175.30 174.90 2kuf s PRO 530 N -1.55 2.90 0.00 3.54 0.04 -1.26 -2.67 135.00 136.00 2kuf s PRO 530 Ca 0.46 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 2kuf s PRO 530 Cb -0.34 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 2kuf s PRO 530 CO 0.44 -1.23 1.72 0.00 0.04 0.00 0.00 177.00 177.96 2kuf s ALA 531 N -1.79 3.63 0.00 8.56 0.00 -1.23 -2.12 121.76 128.81 2kuf s ALA 531 Ca 0.75 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2kuf s ALA 531 Cb -0.27 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2kuf s ALA 531 CO 0.35 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.18 2kuf n GLY 532 N 4.17 2.41 3.71 0.00 0.00 -0.94 -4.91 105.19 109.63 2kuf n GLY 532 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2kuf n GLY 532 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kuf s GLU 533 N -0.27 4.50 -0.30 1.61 2.12 -0.90 -1.38 118.70 124.07 2kuf s GLU 533 Ca 0.00 1.52 -0.20 0.00 0.36 0.00 0.00 54.97 56.66 2kuf s GLU 533 Cb 0.00 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 2kuf s GLU 533 CO 0.00 -0.16 0.61 0.54 -0.54 0.00 0.00 175.26 175.71 2kuf s VAL 534 N 1.21 4.96 -2.02 3.70 0.11 -0.76 -1.83 120.40 125.77 2kuf s VAL 534 Ca 0.54 0.81 0.15 0.00 -2.93 0.00 0.00 61.98 60.55 2kuf s VAL 534 Cb -0.23 -3.98 0.43 0.00 -1.53 0.00 0.00 36.38 31.07 2kuf s VAL 534 CO 0.27 -0.13 1.36 0.41 -3.33 0.00 0.00 175.10 173.68 2kuf n THR 535 N 5.38 0.63 0.00 5.04 -1.04 0.36 -1.63 114.28 123.02 2kuf n THR 535 Ca -0.02 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 2kuf n THR 535 Cb 0.49 0.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.33 2kuf n THR 535 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kuf n GLY 536 N 1.27 0.69 3.53 3.41 0.00 -1.24 -4.59 105.19 108.26 2kuf n GLY 536 Ca 0.16 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 2kuf n GLY 536 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kuf s THR 537 N -2.24 2.87 0.07 2.61 -4.23 -1.26 -0.14 115.64 113.32 2kuf s THR 537 Ca 0.00 -2.06 -0.31 0.00 -1.18 0.00 0.00 61.69 58.14 2kuf s THR 537 Cb 0.00 -2.48 -0.18 0.00 1.34 0.00 0.00 72.50 71.18 2kuf s THR 537 CO 0.00 -0.29 1.61 -1.13 -0.54 0.00 0.00 174.62 174.27 2kuf h ASN 538 N 2.44 -0.65 -3.96 3.99 -0.73 -1.12 -3.42 115.58 112.13 2kuf h ASN 538 Ca -0.44 0.01 -0.51 0.00 1.87 0.00 0.00 56.30 57.24 2kuf h ASN 538 Cb 1.24 0.17 0.05 0.00 0.27 0.00 0.00 38.32 40.05 2kuf h ASN 538 CO 0.57 -0.45 0.49 -2.84 -0.37 0.00 0.00 177.43 174.84 2kuf s PRO 539 N -5.96 3.98 0.57 6.67 0.02 -1.26 -4.98 135.00 134.04 2kuf s PRO 539 Ca -0.17 1.80 -0.20 0.00 0.02 0.00 0.00 61.00 62.45 2kuf s PRO 539 Cb 0.04 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.91 2kuf s PRO 539 CO 0.62 -0.37 1.23 -0.35 -0.33 0.00 0.00 177.00 177.80 2kuf n PRO 540 N -0.08 1.37 -1.75 5.54 -0.04 -1.26 -4.92 135.00 133.86 2kuf n PRO 540 Ca 0.05 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.61 2kuf n PRO 540 Cb 0.47 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kuf n ALA 541 N -1.32 2.27 0.00 0.55 0.00 -1.26 -2.24 120.51 118.51 2kuf n ALA 541 Ca 0.12 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kuf n ALA 541 Cb 0.45 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2kuf n ALA 541 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 542 N 1.22 3.39 3.75 0.00 0.00 0.04 -5.02 105.19 108.56 2kuf n GLY 542 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2kuf n GLY 542 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 543 N -2.92 2.87 -0.13 2.61 2.01 -0.95 -4.61 115.64 114.52 2kuf s THR 543 Ca 0.00 0.78 -0.13 0.00 0.31 0.00 0.00 61.69 62.65 2kuf s THR 543 Cb 0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2kuf s THR 543 CO 0.00 0.15 0.29 0.28 -0.69 0.00 0.00 174.62 174.64 2kuf s THR 544 N -0.42 5.29 0.19 -0.82 -1.32 -1.26 -1.09 115.64 116.21 2kuf s THR 544 Ca 0.54 0.54 0.10 0.00 -1.21 0.00 0.00 61.69 61.66 2kuf s THR 544 Cb -0.39 -3.61 -0.04 0.00 -1.51 0.00 0.00 72.50 66.95 2kuf s THR 544 CO 0.45 0.46 -0.20 0.68 -2.21 0.00 0.00 174.62 173.80 2kuf s VAL 545 N -0.02 2.01 0.32 5.08 -7.23 0.85 -4.89 120.40 116.53 2kuf s VAL 545 Ca 0.17 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 2kuf s VAL 545 Cb -0.13 -1.98 -0.11 0.00 0.56 0.00 0.00 36.38 34.72 2kuf s VAL 545 CO 0.05 -0.30 1.42 -2.84 -0.31 0.00 0.00 175.10 173.13 2kuf s PRO 546 N -2.91 4.23 0.64 4.82 0.02 -1.26 0.03 135.00 140.58 2kuf s PRO 546 Ca 0.19 2.38 0.43 0.00 0.02 0.00 0.00 61.00 64.02 2kuf s PRO 546 Cb -0.06 -3.04 2.22 0.00 0.02 0.00 0.00 34.50 33.63 2kuf s PRO 546 CO 0.08 -0.40 2.29 -0.24 -0.33 0.00 0.00 177.00 178.41 2kuf h VAL 547 N 3.18 0.00 0.00 3.83 3.04 -1.03 -1.00 116.25 124.27 2kuf h VAL 547 Ca -0.49 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2kuf h VAL 547 Cb 1.23 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 2kuf h VAL 547 CO 0.69 0.00 -0.81 -0.67 -1.01 0.00 0.00 177.57 175.78 2kuf n ASP 548 N -3.08 0.70 -3.12 3.17 2.03 -1.26 -4.72 116.55 110.27 2kuf n ASP 548 Ca -0.02 0.08 -0.17 0.00 0.52 0.00 0.00 54.79 55.20 2kuf n ASP 548 Cb 0.12 0.38 0.12 0.00 -0.72 0.00 0.00 41.12 41.02 2kuf n ASP 548 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kuf n SER 549 N -2.19 0.08 -4.48 1.67 7.64 -0.38 -4.91 113.62 111.05 2kuf n SER 549 Ca 0.02 -1.29 -0.33 0.00 1.01 0.00 0.00 58.87 58.28 2kuf n SER 549 Cb 0.46 -0.58 -0.13 0.00 -1.01 0.00 0.00 64.21 62.95 2kuf n SER 549 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kuf s VAL 550 N -2.66 3.22 -0.17 0.44 0.11 -1.26 -4.01 120.40 116.06 2kuf s VAL 550 Ca 0.44 -0.65 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 2kuf s VAL 550 Cb -0.01 -2.30 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 2kuf s VAL 550 CO 0.31 0.58 0.24 -0.63 -3.33 0.00 0.00 175.10 172.27 2kuf s ILE 551 N -0.49 5.34 -0.30 7.04 1.01 0.67 -4.95 121.20 129.51 2kuf s ILE 551 Ca 0.07 0.44 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 2kuf s ILE 551 Cb -0.12 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2kuf s ILE 551 CO 0.02 0.40 0.17 -0.70 0.00 0.00 0.00 174.94 174.82 2kuf s GLU 552 N 0.46 3.60 -0.14 2.79 2.56 -1.26 -0.24 118.70 126.47 2kuf s GLU 552 Ca 0.14 -0.55 -0.10 0.00 0.00 0.00 0.00 54.97 54.46 2kuf s GLU 552 Cb -0.12 -3.60 -0.05 0.00 2.00 0.00 0.00 34.13 32.36 2kuf s GLU 552 CO 0.02 -0.31 0.19 -0.51 -0.56 0.00 0.00 175.26 174.09 2kuf s LEU 553 N 1.68 4.31 -0.37 2.70 1.02 0.69 -0.52 118.68 128.18 2kuf s LEU 553 Ca 0.06 0.45 -0.20 0.00 0.02 0.00 0.00 54.13 54.46 2kuf s LEU 553 Cb -0.16 -2.19 0.01 0.00 0.02 0.00 0.00 46.19 43.86 2kuf s LEU 553 CO 0.08 0.27 0.61 -1.58 0.02 0.00 0.00 176.35 175.74 2kuf s GLN 554 N -0.29 3.57 -0.19 1.70 2.00 0.81 -0.35 119.66 126.89 2kuf s GLN 554 Ca 0.14 -0.10 -0.06 0.00 -2.00 0.00 0.00 55.36 53.34 2kuf s GLN 554 Cb -0.12 -3.84 -0.03 0.00 0.80 0.00 0.00 33.01 29.81 2kuf s GLN 554 CO 0.03 -0.78 0.02 0.08 -0.50 0.00 0.00 175.29 174.15 2kuf s VAL 555 N 2.65 4.28 0.02 1.34 1.01 0.79 -0.49 120.40 130.00 2kuf s VAL 555 Ca 0.22 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 2kuf s VAL 555 Cb -0.15 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2kuf s VAL 555 CO 0.15 0.44 0.34 -0.44 0.00 0.00 0.00 175.10 175.59 2kuf s SER 556 N 0.74 6.61 -0.02 3.32 0.01 -0.76 -0.98 113.70 122.62 2kuf s SER 556 Ca 0.01 0.73 -0.00 0.00 1.31 0.00 0.00 55.95 58.00 2kuf s SER 556 Cb -0.14 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2kuf s SER 556 CO 0.02 0.25 0.04 -1.59 0.41 0.00 0.00 173.24 172.38 2kuf s LYS 557 N -1.60 2.96 0.62 12.44 -2.85 0.42 -2.22 119.74 129.52 2kuf s LYS 557 Ca 0.28 -0.51 0.31 0.00 -1.00 0.00 0.00 55.97 55.04 2kuf s LYS 557 Cb -0.14 -2.79 1.69 0.00 -2.06 0.00 0.00 37.83 34.53 2kuf s LYS 557 CO 0.15 0.65 2.03 0.78 0.10 0.00 0.00 175.35 179.06 2kuf h GLY 558 N 4.33 0.00 0.00 0.59 0.00 -1.67 -1.47 103.07 104.85 2kuf h GLY 558 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kuf h GLY 558 CO 0.59 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.12 2kuf n ASN 559 N -3.42 0.00 -4.64 0.19 2.85 -1.24 -4.49 115.26 104.50 2kuf n ASN 559 Ca 0.02 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.25 2kuf n ASN 559 Cb 0.39 -0.02 -0.08 0.00 1.24 0.00 0.00 39.78 41.32 2kuf n ASN 559 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kuf s GLN 560 N 0.00 2.20 0.15 1.20 -0.21 -1.26 -1.47 119.66 120.28 2kuf s GLN 560 Ca 0.00 -1.56 0.07 0.00 0.02 0.00 0.00 55.36 53.90 2kuf s GLN 560 Cb 0.00 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 2kuf s GLN 560 CO 0.00 0.26 -0.16 -0.59 -2.12 0.00 0.00 175.29 172.68 2kuf s PHE 561 N -2.41 1.62 -0.18 0.91 -0.12 0.77 -4.87 117.98 113.71 2kuf s PHE 561 Ca 0.33 -0.53 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 2kuf s PHE 561 Cb -0.04 -0.81 -0.01 0.00 -0.63 0.00 0.00 43.02 41.53 2kuf s PHE 561 CO 0.20 0.25 1.14 0.54 -0.05 0.00 0.00 175.22 177.30 2kuf s VAL 562 N -2.27 4.50 -0.04 -2.49 0.11 -1.26 -0.43 120.40 118.52 2kuf s VAL 562 Ca 0.14 1.81 -0.30 0.00 -2.93 0.00 0.00 61.98 60.70 2kuf s VAL 562 Cb -0.04 -4.17 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 2kuf s VAL 562 CO 0.05 -0.13 1.26 -0.32 -3.33 0.00 0.00 175.10 172.63 2kuf s MET 563 N 3.10 4.33 0.97 1.54 1.75 0.18 -4.92 119.30 126.26 2kuf s MET 563 Ca 0.50 1.75 -0.13 0.00 -1.25 0.00 0.00 55.69 56.56 2kuf s MET 563 Cb -0.19 -3.56 0.17 0.00 2.84 0.00 0.00 34.83 34.10 2kuf s MET 563 CO 0.12 -0.48 1.12 -1.25 -0.65 0.00 0.00 175.02 173.88 2kuf s PRO 564 N 2.26 0.62 -0.20 4.11 0.04 -1.26 -0.13 135.00 140.44 2kuf s PRO 564 Ca 0.58 0.34 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 2kuf s PRO 564 Cb -0.27 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2kuf s PRO 564 CO 0.23 -2.56 1.76 -0.51 0.04 0.00 0.00 177.00 175.96 2kuf s ASP 565 N -3.78 6.22 0.00 6.66 1.11 -1.26 -4.60 116.67 121.01 2kuf s ASP 565 Ca 0.65 1.76 0.00 0.00 0.18 0.00 0.00 52.55 55.14 2kuf s ASP 565 Cb -0.16 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2kuf s ASP 565 CO 0.55 -1.37 0.73 0.00 1.18 0.00 0.00 175.17 176.27 2kuf n LEU 566 N 8.93 1.28 -4.78 1.23 -0.00 -1.26 -5.05 117.00 117.34 2kuf n LEU 566 Ca 0.21 -1.28 -0.37 0.00 -0.00 0.00 0.00 56.01 54.57 2kuf n LEU 566 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.80 2kuf n LEU 566 CO 0.66 0.32 0.65 -0.44 -0.00 0.00 0.00 177.39 178.58 2kuf s SER 567 N -0.53 7.35 -0.78 1.45 0.01 -1.26 -4.17 113.70 115.76 2kuf s SER 567 Ca 0.00 1.85 -0.04 0.00 1.31 0.00 0.00 55.95 59.08 2kuf s SER 567 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2kuf s SER 567 CO 0.00 -0.06 0.68 0.61 0.41 0.00 0.00 173.24 174.87 2kuf n GLY 568 N 0.63 0.03 3.45 3.44 0.00 -1.26 -5.03 105.19 106.45 2kuf n GLY 568 Ca 0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2kuf n GLY 568 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kuf s MET 569 N -5.48 1.68 0.51 1.61 0.23 -1.26 -4.90 119.30 111.69 2kuf s MET 569 Ca 0.24 -1.62 0.06 0.00 -1.03 0.00 0.00 55.69 53.34 2kuf s MET 569 Cb -0.11 0.41 0.04 0.00 -1.53 0.00 0.00 34.83 33.65 2kuf s MET 569 CO 0.44 -0.67 0.70 -0.06 -2.03 0.00 0.00 175.02 173.40 2kuf s PHE 570 N -3.53 2.35 0.32 3.16 0.40 -1.26 -0.14 117.98 119.28 2kuf s PHE 570 Ca 0.31 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 2kuf s PHE 570 Cb 0.01 -2.46 0.55 0.00 0.51 0.00 0.00 43.02 41.64 2kuf s PHE 570 CO 0.16 -0.81 1.89 2.35 0.70 0.00 0.00 175.22 179.52 2kuf h TRP 571 N 0.31 0.69 0.00 0.36 2.91 -1.94 0.86 115.95 119.14 2kuf h TRP 571 Ca -0.37 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 2kuf h TRP 571 Cb 1.28 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.72 2kuf h TRP 571 CO 0.35 0.58 -0.07 -0.24 -1.03 0.00 0.00 178.44 178.03 2kuf h VAL 572 N 0.67 0.29 0.00 2.65 3.04 -1.96 0.96 116.25 121.89 2kuf h VAL 572 Ca 0.15 -0.46 -0.33 0.00 -1.01 0.00 0.00 66.70 65.06 2kuf h VAL 572 Cb 0.22 1.35 -0.06 0.00 -2.01 0.00 0.00 31.29 30.79 2kuf h VAL 572 CO -0.01 0.07 -2.25 -0.67 -1.01 0.00 0.00 177.57 173.70 2kuf n ASP 573 N -3.35 0.77 0.09 3.17 2.03 -0.77 -4.39 116.55 114.11 2kuf n ASP 573 Ca -0.01 -0.02 -0.04 0.00 0.52 0.00 0.00 54.79 55.24 2kuf n ASP 573 Cb 0.23 0.77 0.15 0.00 -0.72 0.00 0.00 41.12 41.55 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kuf h ALA 574 N 0.77 0.91 -0.08 -1.67 0.00 -0.44 -2.77 119.26 115.99 2kuf h ALA 574 Ca -0.49 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 2kuf h ALA 574 Cb 2.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2kuf h ALA 574 CO 0.01 0.71 0.02 1.49 0.00 0.00 0.00 179.25 181.48 2kuf h GLU 575 N 0.16 0.12 -0.91 0.00 4.81 -1.04 -0.39 114.58 117.33 2kuf h GLU 575 Ca -0.00 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 2kuf h GLU 575 Cb 1.05 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 2kuf h GLU 575 CO 0.09 0.31 0.59 -1.35 -0.73 0.00 0.00 179.01 177.91 2kuf h PRO 576 N -0.09 0.78 -0.71 0.92 0.11 -1.75 -1.83 132.00 129.43 2kuf h PRO 576 Ca 0.02 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.11 2kuf h PRO 576 Cb 0.24 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 2kuf h PRO 576 CO 0.00 0.52 0.45 0.00 -0.21 0.00 0.00 178.00 178.76 2kuf h ARG 577 N 0.81 0.86 -0.24 1.05 2.47 -1.12 0.39 114.38 118.59 2kuf h ARG 577 Ca 0.45 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 59.07 2kuf h ARG 577 Cb 0.59 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2kuf h ARG 577 CO -0.21 0.57 -0.04 1.37 0.56 0.00 0.00 179.97 182.22 2kuf h LEU 578 N 0.88 0.46 -0.95 3.04 8.10 -0.27 0.10 115.31 126.66 2kuf h LEU 578 Ca 0.28 -0.35 -0.09 0.00 0.11 0.00 0.00 57.88 57.83 2kuf h LEU 578 Cb -0.01 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.07 2kuf h LEU 578 CO -0.10 0.70 -0.19 0.08 -4.11 0.00 0.00 178.44 174.82 2kuf h ARG 579 N 0.21 0.54 -0.41 0.17 0.11 -1.30 0.20 114.38 113.89 2kuf h ARG 579 Ca 0.06 -0.19 -0.08 0.00 0.10 0.00 0.00 59.98 59.87 2kuf h ARG 579 Cb 0.49 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 2kuf h ARG 579 CO 0.02 0.71 -0.09 0.00 0.10 0.00 0.00 179.97 180.71 2kuf h ALA 580 N 1.31 1.07 -0.00 0.08 0.00 -0.69 -1.65 119.26 119.38 2kuf h ALA 580 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kuf h ALA 580 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kuf h ALA 580 CO 0.04 0.57 -0.06 -0.11 0.00 0.00 0.00 179.25 179.69 2kuf n LEU 581 N -4.18 0.06 -2.42 0.00 7.94 0.00 -4.93 117.00 113.48 2kuf n LEU 581 Ca 0.01 0.43 -0.13 0.00 -1.11 0.00 0.00 56.01 55.21 2kuf n LEU 581 Cb 0.34 -0.46 0.05 0.00 0.53 0.00 0.00 43.42 43.88 2kuf n LEU 581 CO 0.42 0.02 0.13 0.61 -1.11 0.00 0.00 177.39 177.45 2kuf n GLY 582 N 1.49 0.01 3.69 -3.96 0.00 0.04 -4.97 105.19 101.50 2kuf n GLY 582 Ca 0.07 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2kuf n GLY 582 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kuf s TRP 583 N -3.20 3.25 -0.39 1.61 -0.00 0.49 -4.91 118.94 115.80 2kuf s TRP 583 Ca 0.26 1.24 0.18 0.00 -0.00 0.00 0.00 56.10 57.78 2kuf s TRP 583 Cb -0.11 -3.42 -0.24 0.00 -0.00 0.00 0.00 33.47 29.70 2kuf s TRP 583 CO 0.45 -1.29 0.55 0.25 -0.00 0.00 0.00 176.95 176.91 2kuf n THR 584 N 4.43 0.00 -1.90 5.86 -2.24 -1.26 -4.82 114.28 114.36 2kuf n THR 584 Ca 0.10 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 2kuf n THR 584 Cb 0.46 0.50 0.12 0.00 -2.10 0.00 0.00 70.33 69.32 2kuf n THR 584 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 585 N 1.45 -0.76 3.86 3.38 0.00 -0.64 -5.05 105.19 107.43 2kuf n GLY 585 Ca -0.00 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 2kuf n GLY 585 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kuf s MET 586 N -4.77 3.38 -0.54 1.61 -2.45 -1.26 -4.99 119.30 110.28 2kuf s MET 586 Ca 0.50 -0.21 -0.28 0.00 -1.25 0.00 0.00 55.69 54.45 2kuf s MET 586 Cb -0.02 -3.12 0.03 0.00 1.25 0.00 0.00 34.83 32.97 2kuf s MET 586 CO 0.34 0.75 1.14 -1.17 1.05 0.00 0.00 175.02 177.13 2kuf s LEU 587 N -1.22 3.60 -0.33 4.11 0.20 -1.26 -4.30 118.68 119.48 2kuf s LEU 587 Ca 0.17 0.17 -0.14 0.00 0.69 0.00 0.00 54.13 55.02 2kuf s LEU 587 Cb -0.12 -3.25 -0.02 0.00 -0.43 0.00 0.00 46.19 42.37 2kuf s LEU 587 CO 0.07 -1.36 0.30 -0.62 -0.29 0.00 0.00 176.35 174.45 2kuf s ASP 588 N 2.76 6.12 -0.13 3.68 2.15 -1.15 -5.05 116.67 125.05 2kuf s ASP 588 Ca 0.43 -0.24 -0.04 0.00 0.43 0.00 0.00 52.55 53.13 2kuf s ASP 588 Cb -0.08 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 2kuf s ASP 588 CO 0.27 -0.26 0.01 -1.59 -0.17 0.00 0.00 175.17 173.43 2kuf s LYS 589 N 1.89 3.47 0.00 4.34 0.00 -1.26 -1.40 119.74 126.78 2kuf s LYS 589 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 55.97 55.65 2kuf s LYS 589 Cb -0.17 -2.95 0.00 0.00 0.00 0.00 0.00 37.83 34.71 2kuf s LYS 589 CO 0.11 0.46 0.34 0.41 0.00 0.00 0.00 175.35 176.67 2kuf n GLY 590 N 2.91 -0.89 2.70 0.59 0.00 0.43 -4.87 105.19 106.07 2kuf n GLY 590 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 2kuf n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kuf s ALA 591 N -3.04 0.31 0.10 4.61 0.00 -1.26 -5.07 121.76 117.40 2kuf s ALA 591 Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.85 2kuf s ALA 591 Cb 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.46 2kuf s ALA 591 CO 0.00 -0.43 0.77 0.16 0.00 0.00 0.00 175.76 176.25 2kuf s ASP 592 N 1.99 7.29 -0.20 0.00 -4.77 -1.26 -4.07 116.67 115.65 2kuf s ASP 592 Ca 0.03 1.53 -0.06 0.00 -3.30 0.00 0.00 52.55 50.74 2kuf s ASP 592 Cb -0.12 -2.48 -0.03 0.00 -1.09 0.00 0.00 42.92 39.20 2kuf s ASP 592 CO -0.03 0.10 0.04 -0.69 0.70 0.00 0.00 175.17 175.29 2kuf s VAL 593 N -0.55 4.42 -0.34 2.11 1.01 -0.59 -4.79 120.40 121.68 2kuf s VAL 593 Ca 0.37 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2kuf s VAL 593 Cb -0.22 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 2kuf s VAL 593 CO 0.24 0.43 1.54 1.51 0.00 0.00 0.00 175.10 178.83 2kuf s ASP 594 N 0.77 6.26 0.00 3.32 -4.77 -1.26 0.51 116.67 121.50 2kuf s ASP 594 Ca 0.02 1.16 0.00 0.00 -3.30 0.00 0.00 52.55 50.43 2kuf s ASP 594 Cb -0.14 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2kuf s ASP 594 CO 0.02 -1.43 0.00 0.00 0.70 0.00 0.00 175.17 174.46 2kuf n ALA 595 N 9.00 2.57 0.00 2.11 0.00 -1.26 -4.90 120.51 128.03 2kuf n ALA 595 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2kuf n ALA 595 Cb 0.47 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2kuf n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 596 N 2.02 2.39 0.28 0.00 0.00 -1.23 -4.53 105.19 104.11 2kuf n GLY 596 Ca 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.33 2kuf n GLY 596 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kuf h GLY 597 N 0.00 0.35 2.00 -0.02 0.00 -1.94 -1.96 103.07 101.50 2kuf h GLY 597 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2kuf h GLY 597 CO 0.00 0.15 -0.20 0.23 0.00 0.00 0.00 176.54 176.73 2kuf h SER 598 N 0.33 0.00 0.05 0.19 0.87 -1.96 -0.95 113.55 112.09 2kuf h SER 598 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kuf h SER 598 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kuf h SER 598 CO -0.01 0.20 -0.05 0.00 -0.53 0.00 0.00 176.83 176.44 2kuf n GLN 599 N -3.37 1.39 -2.15 2.24 1.13 -0.75 -4.96 117.38 110.92 2kuf n GLN 599 Ca 0.00 -0.73 -0.04 0.00 -1.94 0.00 0.00 57.00 54.29 2kuf n GLN 599 Cb 0.41 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.28 2kuf n GLN 599 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2kuf n HIS 600 N -0.16 -1.72 -2.77 1.08 8.25 -0.36 -4.93 115.22 114.61 2kuf n HIS 600 Ca 0.18 0.70 -0.44 0.00 -0.26 0.00 0.00 57.72 57.90 2kuf n HIS 600 Cb 0.32 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 28.67 2kuf n HIS 600 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2kuf n ASN 601 N -0.35 5.12 -4.93 0.41 6.94 -1.21 -4.97 115.26 116.26 2kuf n ASN 601 Ca 0.05 -2.98 -0.21 0.00 -0.02 0.00 0.00 54.58 51.43 2kuf n ASN 601 Cb 0.21 -1.60 0.05 0.00 -2.36 0.00 0.00 39.78 36.08 2kuf n ASN 601 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kuf s ARG 602 N 1.96 2.42 0.17 -3.83 0.52 -1.26 -4.38 118.95 114.55 2kuf s ARG 602 Ca 0.45 -0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 54.42 2kuf s ARG 602 Cb 0.00 -2.50 -0.10 0.00 0.52 0.00 0.00 34.95 32.88 2kuf s ARG 602 CO 0.01 -0.79 1.53 0.08 0.02 0.00 0.00 175.30 176.15 2kuf s VAL 603 N -2.77 2.69 -0.23 3.52 1.01 0.80 -0.89 120.40 124.53 2kuf s VAL 603 Ca 0.59 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 2kuf s VAL 603 Cb -0.09 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.84 2kuf s VAL 603 CO 0.39 0.05 -0.20 0.52 0.00 0.00 0.00 175.10 175.86 2kuf n VAL 604 N 3.72 1.52 -3.80 2.92 0.31 -0.15 -3.98 118.33 118.87 2kuf n VAL 604 Ca 0.13 -0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 2kuf n VAL 604 Cb 0.39 -2.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2kuf s TYR 605 N -2.52 -0.09 0.01 3.52 5.04 -0.98 -4.94 117.35 117.38 2kuf s TYR 605 Ca -0.32 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.40 2kuf s TYR 605 Cb 0.10 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.44 2kuf s TYR 605 CO 0.48 -0.37 -0.02 1.14 -1.34 0.00 0.00 175.55 175.44 2kuf s GLN 606 N -1.49 0.18 0.05 4.97 -2.07 -1.26 -0.18 119.66 119.86 2kuf s GLN 606 Ca -0.13 -0.29 -0.25 0.00 -1.82 0.00 0.00 55.36 52.87 2kuf s GLN 606 Cb -0.05 -0.01 -0.17 0.00 -1.09 0.00 0.00 33.01 31.68 2kuf s GLN 606 CO 0.03 -0.01 1.53 -0.97 -1.32 0.00 0.00 175.29 174.55 2kuf h ASN 607 N 5.48 -0.14 -3.60 12.60 -1.24 -1.69 -3.39 115.58 123.60 2kuf h ASN 607 Ca -0.28 -0.15 -0.63 0.00 0.71 0.00 0.00 56.30 55.95 2kuf h ASN 607 Cb 1.21 0.04 -0.14 0.00 0.73 0.00 0.00 38.32 40.15 2kuf h ASN 607 CO 0.47 0.06 -0.03 -2.16 -1.29 0.00 0.00 177.43 174.48 2kuf s PRO 608 N -5.45 3.78 0.89 6.67 0.04 -1.26 -5.07 135.00 134.59 2kuf s PRO 608 Ca -0.14 0.01 -0.10 0.00 0.04 0.00 0.00 61.00 60.80 2kuf s PRO 608 Cb 0.04 -3.75 0.13 0.00 0.04 0.00 0.00 34.50 30.95 2kuf s PRO 608 CO 0.64 -0.55 1.12 -2.14 0.04 0.00 0.00 177.00 176.11 2kuf s PRO 609 N 2.38 1.27 0.27 0.56 0.02 -1.26 -4.90 135.00 133.34 2kuf s PRO 609 Ca 0.20 1.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.25 2kuf s PRO 609 Cb -0.15 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 2kuf s PRO 609 CO 0.12 -2.39 1.63 0.00 -0.33 0.00 0.00 177.00 176.03 2kuf s ALA 610 N -2.73 3.80 0.00 -1.55 0.00 -1.26 -1.98 121.76 118.03 2kuf s ALA 610 Ca 0.65 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.18 2kuf s ALA 610 Cb -0.21 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2kuf s ALA 610 CO 0.58 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2kuf n GLY 611 N 2.68 0.49 3.85 0.00 0.00 0.82 -4.98 105.19 108.04 2kuf n GLY 611 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2kuf n GLY 611 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 612 N -2.00 4.86 -0.10 2.61 2.01 -0.84 -4.66 115.64 117.52 2kuf s THR 612 Ca 0.00 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 2kuf s THR 612 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2kuf s THR 612 CO 0.00 0.19 1.13 -0.83 -0.69 0.00 0.00 174.62 174.42 2kuf s GLY 613 N -1.82 2.09 0.02 4.40 0.00 -1.26 -0.65 107.32 110.11 2kuf s GLY 613 Ca 0.40 0.48 0.06 0.00 0.00 0.00 0.00 44.72 45.66 2kuf s GLY 613 CO 0.19 2.15 -0.19 -1.34 0.00 0.00 0.00 173.10 173.91 2kuf s VAL 614 N 2.39 1.52 1.00 1.40 -7.23 0.43 -4.87 120.40 115.03 2kuf s VAL 614 Ca 0.52 -1.02 -0.16 0.00 -1.81 0.00 0.00 61.98 59.51 2kuf s VAL 614 Cb -0.21 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 2kuf s VAL 614 CO 0.18 0.25 -0.16 -0.46 -0.31 0.00 0.00 175.10 174.61 2kuf n ASN 615 N 2.14 -3.17 0.22 4.85 6.94 -1.26 -0.17 115.26 124.81 2kuf n ASN 615 Ca -0.16 0.17 0.18 0.00 -0.02 0.00 0.00 54.58 54.74 2kuf n ASN 615 Cb 0.54 -0.98 0.85 0.00 -2.36 0.00 0.00 39.78 37.82 2kuf n ASN 615 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 2kuf h ARG 616 N -1.49 0.00 -0.00 -3.83 -0.00 -1.60 0.53 114.38 107.99 2kuf h ARG 616 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.53 2kuf h ARG 616 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.28 2kuf h ARG 616 CO 0.31 0.00 -0.11 -0.25 -0.00 0.00 0.00 179.97 179.92 2kuf n ASP 617 N -3.62 0.32 -1.01 0.08 8.00 -1.26 -4.65 116.55 114.41 2kuf n ASP 617 Ca 0.02 -0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.08 2kuf n ASP 617 Cb 0.35 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kuf n GLY 618 N 1.34 1.39 3.65 0.44 0.00 0.18 -1.62 105.19 110.57 2kuf n GLY 618 Ca 0.12 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2kuf n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kuf s ILE 619 N -2.46 3.79 -0.04 -0.61 -1.16 -1.26 -4.89 121.20 114.57 2kuf s ILE 619 Ca 0.00 0.94 0.03 0.00 -0.51 0.00 0.00 60.65 61.11 2kuf s ILE 619 Cb 0.00 -3.66 0.00 0.00 0.61 0.00 0.00 42.46 39.41 2kuf s ILE 619 CO 0.00 -0.15 -0.12 0.27 -2.81 0.00 0.00 174.94 172.13 2kuf s ILE 620 N 4.21 1.08 -0.25 2.00 -5.25 -1.26 -4.90 121.20 116.83 2kuf s ILE 620 Ca 0.68 -0.50 -0.09 0.00 -0.99 0.00 0.00 60.65 59.75 2kuf s ILE 620 Cb -0.28 -0.95 -0.04 0.00 2.95 0.00 0.00 42.46 44.13 2kuf s ILE 620 CO 0.26 0.33 0.13 0.28 -1.79 0.00 0.00 174.94 174.14 2kuf s THR 621 N 0.30 4.98 0.17 8.37 -1.32 -1.25 -2.94 115.64 123.94 2kuf s THR 621 Ca -0.07 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 2kuf s THR 621 Cb -0.12 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.50 2kuf s THR 621 CO 0.02 0.33 0.08 -1.48 -2.21 0.00 0.00 174.62 171.36 2kuf s LEU 622 N 1.31 1.56 -0.03 9.08 2.34 -0.49 -1.58 118.68 130.87 2kuf s LEU 622 Ca 0.06 -1.28 0.04 0.00 0.06 0.00 0.00 54.13 53.01 2kuf s LEU 622 Cb -0.15 0.29 -0.00 0.00 -0.56 0.00 0.00 46.19 45.77 2kuf s LEU 622 CO 0.06 -0.76 -0.15 0.00 -1.06 0.00 0.00 176.35 174.44 2kuf s ARG 623 N -4.08 1.40 0.16 1.48 1.70 0.75 -0.42 118.95 119.93 2kuf s ARG 623 Ca 0.30 -0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 55.02 2kuf s ARG 623 Cb 0.07 -1.28 -0.04 0.00 -0.57 0.00 0.00 34.95 33.14 2kuf s ARG 623 CO 0.06 0.24 0.11 -0.59 -1.08 0.00 0.00 175.30 174.05 2kuf s PHE 624 N -0.07 0.86 0.16 5.89 -0.71 -1.26 -0.98 117.98 121.89 2kuf s PHE 624 Ca -0.00 -1.20 -0.30 0.00 -1.04 0.00 0.00 56.93 54.39 2kuf s PHE 624 Cb -0.09 -0.43 -0.07 0.00 -1.21 0.00 0.00 43.02 41.22 2kuf s PHE 624 CO 0.01 -0.59 1.10 0.20 -1.34 0.00 0.00 175.22 174.60 2kuf s GLY 625 N -3.07 2.82 0.00 1.99 0.00 -0.07 -1.54 107.32 107.45 2kuf s GLY 625 Ca 0.27 0.81 0.27 0.00 0.00 0.00 0.00 44.72 46.07 2kuf s GLY 625 CO 0.04 1.68 1.63 -0.18 0.00 0.00 0.00 173.10 176.27