#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 4.30 0.00 1.61 0.02 -1.26 -4.93 135.00 134.74 2kuf s PRO 492 Ca 0.00 1.95 0.17 0.00 0.02 0.00 0.00 61.00 63.14 2kuf s PRO 492 Cb 0.00 -2.93 0.35 0.00 0.02 0.00 0.00 34.50 31.94 2kuf s PRO 492 CO 0.00 -0.14 1.26 0.00 -0.33 0.00 0.00 177.00 177.79 2kuf n ALA 493 N 0.59 2.35 -2.81 -1.55 0.00 -1.26 -4.85 120.51 112.97 2kuf n ALA 493 Ca 0.02 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.30 2kuf n ALA 493 Cb 0.44 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.16 0.64 -0.07 0.00 -4.23 -1.26 0.29 115.64 109.85 2kuf s THR 494 Ca 0.30 -0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 2kuf s THR 494 Cb 0.17 -0.66 0.02 0.00 1.34 0.00 0.00 72.50 73.38 2kuf s THR 494 CO 0.23 -0.25 0.28 -0.75 -0.54 0.00 0.00 174.62 173.60 2kuf s LYS 495 N -1.32 0.45 0.04 3.99 2.47 0.78 -4.73 119.74 121.43 2kuf s LYS 495 Ca -0.06 0.15 -0.20 0.00 -1.56 0.00 0.00 55.97 54.30 2kuf s LYS 495 Cb -0.08 0.21 -0.06 0.00 -1.46 0.00 0.00 37.83 36.43 2kuf s LYS 495 CO 0.01 -0.09 0.59 0.16 0.16 0.00 0.00 175.35 176.17 2kuf s ASP 496 N -0.44 7.04 -0.02 1.43 -4.77 -1.26 -0.55 116.67 118.10 2kuf s ASP 496 Ca -0.05 1.23 -0.20 0.00 -3.30 0.00 0.00 52.55 50.23 2kuf s ASP 496 Cb -0.04 -2.37 -0.05 0.00 -1.09 0.00 0.00 42.92 39.38 2kuf s ASP 496 CO 0.02 0.20 0.56 0.27 0.70 0.00 0.00 175.17 176.92 2kuf s ILE 497 N -0.72 4.97 0.46 2.11 -4.36 -0.02 -4.87 121.20 118.76 2kuf s ILE 497 Ca 0.30 1.17 -0.10 0.00 -0.26 0.00 0.00 60.65 61.76 2kuf s ILE 497 Cb -0.19 -3.90 -0.06 0.00 1.25 0.00 0.00 42.46 39.56 2kuf s ILE 497 CO 0.18 0.41 0.84 -2.84 0.24 0.00 0.00 174.94 173.77 2kuf s PRO 498 N -0.09 3.73 -0.23 0.37 0.02 -1.26 -0.89 135.00 136.65 2kuf s PRO 498 Ca 0.30 0.52 -0.21 0.00 0.02 0.00 0.00 61.00 61.63 2kuf s PRO 498 Cb -0.18 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 2kuf s PRO 498 CO 0.16 -0.17 0.67 0.16 -0.33 0.00 0.00 177.00 177.48 2kuf s ASP 499 N -3.47 6.67 -0.82 2.53 -4.77 -1.26 -4.80 116.67 110.75 2kuf s ASP 499 Ca 0.52 0.82 0.02 0.00 -3.30 0.00 0.00 52.55 50.61 2kuf s ASP 499 Cb -0.10 -2.36 0.32 0.00 -1.09 0.00 0.00 42.92 39.69 2kuf s ASP 499 CO 0.37 -0.36 1.38 1.33 0.70 0.00 0.00 175.17 178.58 2kuf n VAL 500 N 5.03 4.58 -3.63 2.11 0.24 -1.26 -4.94 118.33 120.46 2kuf n VAL 500 Ca 0.00 -5.78 -0.40 0.00 -2.04 0.00 0.00 64.34 56.13 2kuf n VAL 500 Cb 0.49 -1.55 -0.11 0.00 -1.47 0.00 0.00 33.84 31.20 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 -3.79 3.22 0.00 2.33 0.00 -1.26 -4.32 121.76 117.94 2kuf s ALA 501 Ca 0.43 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2kuf s ALA 501 Cb 0.22 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2kuf s ALA 501 CO -0.11 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.67 2kuf n GLY 502 N 4.95 0.84 0.00 0.00 0.00 -0.92 -4.93 105.19 105.13 2kuf n GLY 502 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2kuf n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kuf n GLN 503 N 0.00 1.44 -1.76 1.61 0.00 -1.26 -4.91 117.38 112.50 2kuf n GLN 503 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.67 2kuf n GLN 503 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.28 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kuf s THR 504 N 0.26 3.35 0.22 -0.39 2.01 -1.26 -2.25 115.64 117.57 2kuf s THR 504 Ca 0.00 0.61 -0.09 0.00 0.31 0.00 0.00 61.69 62.52 2kuf s THR 504 Cb 0.00 -3.14 0.18 0.00 0.01 0.00 0.00 72.50 69.55 2kuf s THR 504 CO 0.00 -0.41 1.86 1.62 -0.69 0.00 0.00 174.62 177.00 2kuf h VAL 505 N -0.01 1.23 -0.58 3.82 3.04 -1.14 0.24 116.25 122.85 2kuf h VAL 505 Ca -0.46 -0.51 0.01 0.00 -1.01 0.00 0.00 66.70 64.72 2kuf h VAL 505 Cb 1.24 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.59 2kuf h VAL 505 CO 0.54 0.24 0.38 -0.78 -1.01 0.00 0.00 177.57 176.95 2kuf h ASP 506 N 1.12 0.66 -0.31 3.17 3.58 -1.92 0.22 116.42 122.93 2kuf h ASP 506 Ca 0.29 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.58 2kuf h ASP 506 Cb -0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2kuf h ASP 506 CO -0.05 0.47 -0.34 0.58 -2.88 0.00 0.00 179.24 177.02 2kuf h VAL 507 N 0.78 1.28 -0.34 2.25 2.07 -1.79 0.02 116.25 120.52 2kuf h VAL 507 Ca 0.22 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2kuf h VAL 507 Cb -0.08 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2kuf h VAL 507 CO -0.05 0.50 0.12 0.00 0.02 0.00 0.00 177.57 178.16 2kuf h ALA 508 N 0.91 0.45 -0.60 1.67 0.00 0.07 0.33 119.26 122.08 2kuf h ALA 508 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2kuf h ALA 508 Cb 0.90 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2kuf h ALA 508 CO 0.08 0.07 0.12 1.96 0.00 0.00 0.00 179.25 181.48 2kuf h GLN 509 N 0.40 0.99 -0.48 0.00 4.20 -0.38 0.42 115.11 120.26 2kuf h GLN 509 Ca 0.11 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 2kuf h GLN 509 Cb 0.22 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2kuf h GLN 509 CO -0.01 0.92 0.01 0.87 -0.67 0.00 0.00 178.83 179.95 2kuf h LYS 510 N 0.89 0.84 -0.43 1.46 1.79 -0.77 -1.52 116.57 118.83 2kuf h LYS 510 Ca 0.19 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2kuf h LYS 510 Cb 0.39 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2kuf h LYS 510 CO 0.01 0.88 0.20 -0.91 -1.08 0.00 0.00 179.45 178.55 2kuf h ASN 511 N 0.70 0.57 -0.06 0.86 2.35 0.06 -1.78 115.58 118.28 2kuf h ASN 511 Ca 0.14 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2kuf h ASN 511 Cb 0.50 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2kuf h ASN 511 CO 0.02 0.55 -0.30 0.17 -1.65 0.00 0.00 177.43 176.22 2kuf h LEU 512 N 0.56 0.54 -1.44 1.61 8.10 -0.85 -1.94 115.31 121.90 2kuf h LEU 512 Ca 0.15 -0.21 0.01 0.00 0.11 0.00 0.00 57.88 57.94 2kuf h LEU 512 Cb 0.13 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.17 2kuf h LEU 512 CO -0.02 0.82 0.39 -1.13 -4.11 0.00 0.00 178.44 174.39 2kuf h ASN 513 N 0.46 0.66 -0.11 0.17 -0.00 -0.90 0.20 115.58 116.05 2kuf h ASN 513 Ca 0.06 -0.02 -0.06 0.00 -0.00 0.00 0.00 56.30 56.29 2kuf h ASN 513 Cb 0.76 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.90 2kuf h ASN 513 CO 0.06 0.47 -0.08 0.58 -0.00 0.00 0.00 177.43 178.46 2kuf h VAL 514 N 0.77 1.20 -0.02 2.57 2.07 -0.52 0.40 116.25 122.72 2kuf h VAL 514 Ca 0.22 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2kuf h VAL 514 Cb -0.06 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2kuf h VAL 514 CO -0.05 0.28 -0.07 -1.22 0.02 0.00 0.00 177.57 176.53 2kuf n TYR 515 N -4.25 0.00 0.09 1.57 4.01 -0.59 -4.72 117.16 113.27 2kuf n TYR 515 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kuf n TYR 515 Cb 0.28 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.32 -0.18 2.32 2.72 0.00 0.59 -4.94 105.19 107.02 2kuf n GLY 516 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.25 -0.03 -1.15 1.61 3.72 0.13 -5.00 117.46 113.50 2kuf n PHE 517 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2kuf n PHE 517 Cb 0.04 -2.14 0.04 0.00 -0.94 0.00 0.00 39.48 36.48 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 -2.75 0.00 -4.38 4.37 -2.24 -1.26 -4.94 114.28 103.09 2kuf n THR 518 Ca -0.11 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 2kuf n THR 518 Cb 0.38 -1.85 -0.09 0.00 -2.10 0.00 0.00 70.33 66.67 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 -3.59 2.85 0.04 -0.78 3.01 -0.77 -4.93 119.74 115.57 2kuf s LYS 519 Ca 0.15 -0.52 0.04 0.00 -1.01 0.00 0.00 55.97 54.63 2kuf s LYS 519 Cb -0.00 -2.70 -0.02 0.00 -1.01 0.00 0.00 37.83 34.09 2kuf s LYS 519 CO 0.11 0.66 -0.11 -0.59 0.51 0.00 0.00 175.35 175.93 2kuf s PHE 520 N -0.96 0.93 0.02 3.18 -0.12 -1.26 0.11 117.98 119.88 2kuf s PHE 520 Ca 0.16 -0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 56.61 2kuf s PHE 520 Cb -0.11 -0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 41.71 2kuf s PHE 520 CO 0.06 -0.01 0.00 -1.12 -0.05 0.00 0.00 175.22 174.10 2kuf s SER 521 N -1.36 0.24 0.06 1.98 0.01 0.57 -4.86 113.70 110.34 2kuf s SER 521 Ca -0.04 -0.54 0.09 0.00 1.31 0.00 0.00 55.95 56.78 2kuf s SER 521 Cb -0.09 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 2kuf s SER 521 CO 0.01 -0.37 -0.25 0.00 0.41 0.00 0.00 173.24 173.04 2kuf s GLN 522 N -1.89 1.64 -0.02 12.44 -2.07 -1.26 -0.30 119.66 128.21 2kuf s GLN 522 Ca -0.12 -1.11 0.00 0.00 -1.82 0.00 0.00 55.36 52.32 2kuf s GLN 522 Cb -0.06 -1.85 0.02 0.00 -1.09 0.00 0.00 33.01 30.02 2kuf s GLN 522 CO -0.02 0.47 0.00 0.00 -1.32 0.00 0.00 175.29 174.42 2kuf s ALA 523 N -0.85 0.21 -0.20 2.60 0.00 0.30 -4.91 121.76 118.91 2kuf s ALA 523 Ca 0.11 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 2kuf s ALA 523 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2kuf s ALA 523 CO 0.03 -0.05 0.31 -1.54 0.00 0.00 0.00 175.76 174.50 2kuf s SER 524 N 0.73 6.36 0.14 0.00 1.04 -1.26 0.04 113.70 120.74 2kuf s SER 524 Ca -0.07 0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.88 2kuf s SER 524 Cb -0.10 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 2kuf s SER 524 CO -0.02 0.01 -0.25 0.54 0.98 0.00 0.00 173.24 174.51 2kuf s VAL 525 N 0.98 2.15 0.21 5.02 0.11 0.10 -4.90 120.40 124.08 2kuf s VAL 525 Ca 0.15 -1.77 -0.30 0.00 -2.93 0.00 0.00 61.98 57.14 2kuf s VAL 525 Cb -0.14 -1.93 -0.08 0.00 -1.53 0.00 0.00 36.38 32.70 2kuf s VAL 525 CO 0.06 0.01 1.18 -1.81 -3.33 0.00 0.00 175.10 171.21 2kuf s ASP 526 N -2.15 7.12 0.26 3.54 1.11 -1.26 -0.22 116.67 125.07 2kuf s ASP 526 Ca 0.14 2.25 -0.21 0.00 0.18 0.00 0.00 52.55 54.90 2kuf s ASP 526 Cb -0.10 -2.61 0.03 0.00 1.07 0.00 0.00 42.92 41.31 2kuf s ASP 526 CO 0.06 -0.33 0.68 -0.44 1.18 0.00 0.00 175.17 176.33 2kuf s SER 527 N -0.08 -0.30 0.23 0.27 0.01 0.03 -4.83 113.70 109.02 2kuf s SER 527 Ca 0.51 -0.52 0.23 0.00 1.31 0.00 0.00 55.95 57.49 2kuf s SER 527 Cb -0.33 0.70 0.93 0.00 0.21 0.00 0.00 66.02 67.54 2kuf s SER 527 CO 0.38 -1.27 1.71 -2.65 0.41 0.00 0.00 173.24 171.82 2kuf n PRO 528 N -0.44 0.19 -2.12 12.44 -0.02 -1.26 -3.92 135.00 139.86 2kuf n PRO 528 Ca -0.06 0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 61.39 2kuf n PRO 528 Cb 0.60 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.23 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kuf s ARG 529 N -3.26 4.26 0.51 -0.52 3.00 -1.26 -4.85 118.95 116.85 2kuf s ARG 529 Ca 0.06 2.17 -0.22 0.00 0.00 0.00 0.00 55.73 57.73 2kuf s ARG 529 Cb 0.10 -2.98 -0.06 0.00 0.00 0.00 0.00 34.95 32.01 2kuf s ARG 529 CO 0.42 -0.25 1.25 -1.25 0.00 0.00 0.00 175.30 175.47 2kuf s PRO 530 N -1.91 3.40 -0.18 3.54 0.04 -1.26 -1.93 135.00 136.70 2kuf s PRO 530 Ca 0.51 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 63.21 2kuf s PRO 530 Cb -0.39 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.79 2kuf s PRO 530 CO 0.51 -0.90 2.11 0.00 0.04 0.00 0.00 177.00 178.76 2kuf n ALA 531 N -0.85 1.43 0.00 8.56 0.00 -1.22 -1.93 120.51 126.50 2kuf n ALA 531 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kuf n ALA 531 Cb 0.47 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.19 2kuf n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 532 N 5.47 1.36 3.77 0.00 0.00 -1.03 -4.94 105.19 109.81 2kuf n GLY 532 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 4.64 -0.23 1.61 2.12 -0.81 -0.57 118.70 125.46 2kuf s GLU 533 Ca 0.00 1.24 -0.09 0.00 0.36 0.00 0.00 54.97 56.49 2kuf s GLU 533 Cb 0.00 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2kuf s GLU 533 CO 0.00 0.53 0.10 0.54 -0.54 0.00 0.00 175.26 175.90 2kuf s VAL 534 N -1.05 4.87 -1.67 3.70 0.11 -0.96 0.07 120.40 125.47 2kuf s VAL 534 Ca 0.38 0.01 0.28 0.00 -2.93 0.00 0.00 61.98 59.71 2kuf s VAL 534 Cb -0.24 -3.25 0.38 0.00 -1.53 0.00 0.00 36.38 31.74 2kuf s VAL 534 CO 0.28 0.37 1.75 0.35 -3.33 0.00 0.00 175.10 174.52 2kuf n THR 535 N 4.28 0.00 -0.31 5.04 -2.24 -0.63 -2.17 114.28 118.25 2kuf n THR 535 Ca -0.16 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2kuf n THR 535 Cb 0.52 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2kuf n THR 535 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 536 N 1.31 0.85 3.55 3.38 0.00 -1.24 -4.69 105.19 108.35 2kuf n GLY 536 Ca 0.13 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.75 2.96 0.08 2.61 -4.23 -1.26 -0.17 115.64 112.88 2kuf s THR 537 Ca 0.00 -2.11 -0.28 0.00 -1.18 0.00 0.00 61.69 58.12 2kuf s THR 537 Cb 0.00 -2.55 -0.17 0.00 1.34 0.00 0.00 72.50 71.12 2kuf s THR 537 CO 0.00 -0.35 1.68 -1.13 -0.54 0.00 0.00 174.62 174.28 2kuf h ASN 538 N 2.21 -0.42 -3.65 3.99 -0.73 -1.84 -3.42 115.58 111.72 2kuf h ASN 538 Ca -0.43 0.01 -0.51 0.00 1.87 0.00 0.00 56.30 57.25 2kuf h ASN 538 Cb 1.25 0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.92 2kuf h ASN 538 CO 0.59 -0.30 0.26 -2.16 -0.37 0.00 0.00 177.43 175.45 2kuf s PRO 539 N -6.11 4.66 0.81 6.67 0.05 -1.26 -5.05 135.00 134.77 2kuf s PRO 539 Ca -0.16 1.28 -0.11 0.00 0.05 0.00 0.00 61.00 62.07 2kuf s PRO 539 Cb 0.05 -3.20 0.08 0.00 0.05 0.00 0.00 34.50 31.48 2kuf s PRO 539 CO 0.64 0.51 1.09 -1.25 0.05 0.00 0.00 177.00 178.04 2kuf s PRO 540 N -1.31 1.93 0.20 0.56 0.04 -1.26 -4.92 135.00 130.24 2kuf s PRO 540 Ca 0.40 0.89 -0.32 0.00 0.04 0.00 0.00 61.00 62.01 2kuf s PRO 540 Cb -0.23 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 2kuf s PRO 540 CO 0.28 -1.79 1.73 0.00 0.04 0.00 0.00 177.00 177.25 2kuf n ALA 541 N -3.59 2.76 0.00 8.56 0.00 -1.26 -1.95 120.51 125.03 2kuf n ALA 541 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2kuf n ALA 541 Cb 0.55 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 3.97 0.64 3.67 0.00 0.00 -0.07 -4.95 105.19 108.45 2kuf n GLY 542 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 4.44 -0.14 2.61 2.01 -0.82 -4.79 115.64 116.95 2kuf s THR 543 Ca 0.00 1.74 -0.29 0.00 0.31 0.00 0.00 61.69 63.45 2kuf s THR 543 Cb 0.00 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 2kuf s THR 543 CO 0.00 -0.12 1.00 0.28 -0.69 0.00 0.00 174.62 175.09 2kuf s THR 544 N 3.15 4.77 0.21 -0.82 -1.32 -1.26 -0.84 115.64 119.51 2kuf s THR 544 Ca 0.51 2.01 0.08 0.00 -1.21 0.00 0.00 61.69 63.08 2kuf s THR 544 Cb -0.20 -4.30 -0.05 0.00 -1.51 0.00 0.00 72.50 66.44 2kuf s THR 544 CO 0.13 -0.04 -0.14 0.68 -2.21 0.00 0.00 174.62 173.04 2kuf s VAL 545 N 2.29 1.75 0.33 5.08 -7.23 0.29 -4.91 120.40 117.98 2kuf s VAL 545 Ca 0.47 -2.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 2kuf s VAL 545 Cb -0.17 -2.05 -0.11 0.00 0.56 0.00 0.00 36.38 34.61 2kuf s VAL 545 CO 0.15 -0.59 1.42 -2.84 -0.31 0.00 0.00 175.10 172.92 2kuf s PRO 546 N -3.64 4.24 0.65 4.82 0.02 -1.26 -0.16 135.00 139.67 2kuf s PRO 546 Ca 0.23 2.38 0.44 0.00 0.02 0.00 0.00 61.00 64.06 2kuf s PRO 546 Cb -0.01 -3.04 2.34 0.00 0.02 0.00 0.00 34.50 33.82 2kuf s PRO 546 CO 0.07 -0.38 2.33 -0.24 -0.33 0.00 0.00 177.00 178.45 2kuf h VAL 547 N 3.14 0.00 -0.28 3.83 3.04 -0.45 -0.00 116.25 125.53 2kuf h VAL 547 Ca -0.49 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2kuf h VAL 547 Cb 1.23 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 2kuf h VAL 547 CO 0.69 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.58 2kuf n ASP 548 N -3.06 3.34 -4.78 3.17 -0.08 -1.26 -4.00 116.55 109.88 2kuf n ASP 548 Ca -0.03 -2.00 -0.27 0.00 -1.51 0.00 0.00 54.79 50.98 2kuf n ASP 548 Cb 0.09 -0.17 0.09 0.00 2.34 0.00 0.00 41.12 43.47 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kuf s SER 549 N -1.66 4.45 -0.15 1.67 1.04 -0.02 -4.69 113.70 114.36 2kuf s SER 549 Ca 0.35 0.44 -0.06 0.00 0.48 0.00 0.00 55.95 57.16 2kuf s SER 549 Cb 0.22 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 2kuf s SER 549 CO 0.31 -1.86 0.06 0.54 0.98 0.00 0.00 173.24 173.28 2kuf s VAL 550 N -3.41 4.80 -0.13 5.02 0.11 -1.26 -1.84 120.40 123.69 2kuf s VAL 550 Ca 0.63 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 59.58 2kuf s VAL 550 Cb -0.09 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.60 2kuf s VAL 550 CO 0.47 0.53 0.07 -0.63 -3.33 0.00 0.00 175.10 172.21 2kuf s ILE 551 N -0.22 4.90 -0.28 7.04 1.01 0.12 -4.94 121.20 128.82 2kuf s ILE 551 Ca 0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 2kuf s ILE 551 Cb -0.12 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2kuf s ILE 551 CO 0.01 0.56 0.14 -1.83 0.00 0.00 0.00 174.94 173.82 2kuf s GLU 552 N -0.47 3.65 -0.28 2.79 1.03 -1.26 -0.31 118.70 123.84 2kuf s GLU 552 Ca 0.10 -0.50 -0.16 0.00 0.03 0.00 0.00 54.97 54.43 2kuf s GLU 552 Cb -0.12 -3.51 -0.03 0.00 -0.80 0.00 0.00 34.13 29.67 2kuf s GLU 552 CO 0.02 -0.26 0.43 -0.51 -1.33 0.00 0.00 175.26 173.61 2kuf s LEU 553 N 1.66 4.12 -0.62 1.83 2.01 0.59 -2.22 118.68 126.05 2kuf s LEU 553 Ca 0.06 0.27 -0.24 0.00 0.01 0.00 0.00 54.13 54.23 2kuf s LEU 553 Cb -0.16 -2.51 0.05 0.00 0.01 0.00 0.00 46.19 43.59 2kuf s LEU 553 CO 0.07 -0.27 0.99 -1.10 1.01 0.00 0.00 176.35 177.06 2kuf s GLN 554 N 2.18 3.22 -0.09 1.70 1.11 0.76 -0.54 119.66 128.00 2kuf s GLN 554 Ca 0.17 -0.51 -0.24 0.00 0.01 0.00 0.00 55.36 54.79 2kuf s GLN 554 Cb -0.16 -4.15 -0.03 0.00 -1.01 0.00 0.00 33.01 27.67 2kuf s GLN 554 CO 0.10 -1.71 0.75 0.08 0.01 0.00 0.00 175.29 174.52 2kuf s VAL 555 N 4.23 4.99 -0.16 1.09 1.01 0.11 -1.60 120.40 130.06 2kuf s VAL 555 Ca 0.27 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.57 2kuf s VAL 555 Cb -0.14 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2kuf s VAL 555 CO 0.15 0.18 0.64 -0.44 0.00 0.00 0.00 175.10 175.63 2kuf s SER 556 N 0.92 6.77 -0.16 3.32 0.01 0.11 0.03 113.70 124.70 2kuf s SER 556 Ca 0.39 0.93 -0.08 0.00 1.31 0.00 0.00 55.95 58.50 2kuf s SER 556 Cb -0.18 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2kuf s SER 556 CO 0.17 -0.21 0.10 -1.59 0.41 0.00 0.00 173.24 172.12 2kuf s LYS 557 N 1.53 3.77 0.59 12.44 -2.85 0.70 -2.46 119.74 133.47 2kuf s LYS 557 Ca 0.31 -0.24 0.35 0.00 -1.00 0.00 0.00 55.97 55.39 2kuf s LYS 557 Cb -0.16 -3.23 1.85 0.00 -2.06 0.00 0.00 37.83 34.23 2kuf s LYS 557 CO 0.12 0.49 2.20 0.78 0.10 0.00 0.00 175.35 179.04 2kuf h GLY 558 N 5.98 0.00 0.00 0.59 0.00 -1.51 0.11 103.07 108.24 2kuf h GLY 558 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2kuf h GLY 558 CO 0.67 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.20 2kuf n ASN 559 N -3.37 -0.88 -4.57 0.19 2.85 -1.26 -4.69 115.26 103.52 2kuf n ASN 559 Ca -0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.15 2kuf n ASN 559 Cb 0.17 -0.20 -0.10 0.00 1.24 0.00 0.00 39.78 40.88 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 -0.03 2.11 0.15 1.20 -0.21 -1.26 -0.38 119.66 121.24 2kuf s GLN 560 Ca 0.00 -1.04 0.07 0.00 0.02 0.00 0.00 55.36 54.40 2kuf s GLN 560 Cb 0.00 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 2kuf s GLN 560 CO 0.00 0.50 -0.15 -0.59 -2.12 0.00 0.00 175.29 172.93 2kuf s PHE 561 N -1.24 1.54 -0.15 0.91 -0.71 0.09 -4.84 117.98 113.58 2kuf s PHE 561 Ca 0.21 -0.55 -0.29 0.00 -1.04 0.00 0.00 56.93 55.26 2kuf s PHE 561 Cb -0.11 -0.78 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 2kuf s PHE 561 CO 0.14 0.22 1.48 0.54 -1.34 0.00 0.00 175.22 176.25 2kuf s VAL 562 N -2.32 3.90 0.04 -2.49 0.11 -1.26 -0.79 120.40 117.59 2kuf s VAL 562 Ca 0.13 1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.95 2kuf s VAL 562 Cb -0.04 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2kuf s VAL 562 CO 0.04 -0.17 1.13 -0.32 -3.33 0.00 0.00 175.10 172.45 2kuf s MET 563 N 3.99 4.47 0.98 1.54 1.75 -0.57 -4.87 119.30 126.59 2kuf s MET 563 Ca 0.65 1.65 -0.12 0.00 -1.25 0.00 0.00 55.69 56.62 2kuf s MET 563 Cb -0.26 -3.39 0.18 0.00 2.84 0.00 0.00 34.83 34.20 2kuf s MET 563 CO 0.24 -0.20 1.08 -1.25 -0.65 0.00 0.00 175.02 174.24 2kuf s PRO 564 N 1.07 0.58 0.03 4.11 0.04 -1.26 -0.12 135.00 139.46 2kuf s PRO 564 Ca 0.56 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 2kuf s PRO 564 Cb -0.27 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2kuf s PRO 564 CO 0.29 -2.71 0.93 0.16 0.04 0.00 0.00 177.00 175.71 2kuf s ASP 565 N -3.16 7.36 0.00 6.66 -4.77 -1.26 -4.62 116.67 116.88 2kuf s ASP 565 Ca 0.65 1.64 0.00 0.00 -3.30 0.00 0.00 52.55 51.54 2kuf s ASP 565 Cb -0.20 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 2kuf s ASP 565 CO 0.59 -0.16 0.52 0.00 0.70 0.00 0.00 175.17 176.82 2kuf n LEU 566 N 3.44 -0.03 -4.80 2.11 -0.00 -1.26 -5.13 117.00 111.33 2kuf n LEU 566 Ca 0.03 -1.03 -0.35 0.00 -0.00 0.00 0.00 56.01 54.67 2kuf n LEU 566 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.86 2kuf n LEU 566 CO 0.51 1.01 0.65 -0.55 -0.00 0.00 0.00 177.39 179.01 2kuf s SER 567 N -0.04 7.10 -0.20 1.45 0.15 -1.26 -4.36 113.70 116.55 2kuf s SER 567 Ca 0.00 1.76 -0.00 0.00 0.70 0.00 0.00 55.95 58.41 2kuf s SER 567 Cb 0.00 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2kuf s SER 567 CO -0.00 -0.24 0.19 0.61 1.20 0.00 0.00 173.24 175.00 2kuf n GLY 568 N -0.10 -0.46 3.48 9.45 0.00 -1.21 -5.03 105.19 111.30 2kuf n GLY 568 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.03 1.66 0.43 1.61 0.23 -1.26 -4.81 119.30 114.13 2kuf s MET 569 Ca 0.01 -1.56 0.07 0.00 -1.03 0.00 0.00 55.69 53.18 2kuf s MET 569 Cb -0.00 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.73 2kuf s MET 569 CO 0.19 -0.67 0.60 -0.06 -2.03 0.00 0.00 175.02 173.05 2kuf s PHE 570 N -3.58 2.86 0.33 3.16 0.40 -1.26 -0.01 117.98 119.87 2kuf s PHE 570 Ca 0.29 -0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.40 2kuf s PHE 570 Cb 0.01 -2.40 0.57 0.00 0.51 0.00 0.00 43.02 41.71 2kuf s PHE 570 CO 0.15 -0.45 1.77 2.35 0.70 0.00 0.00 175.22 179.73 2kuf h TRP 571 N 0.57 0.19 0.00 0.36 2.91 -1.96 0.25 115.95 118.27 2kuf h TRP 571 Ca -0.41 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.56 2kuf h TRP 571 Cb 1.28 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2kuf h TRP 571 CO 0.40 0.51 0.00 1.33 -1.03 0.00 0.00 178.44 179.65 2kuf n VAL 572 N -4.08 0.56 -0.06 2.65 0.24 -1.26 -1.73 118.33 114.64 2kuf n VAL 572 Ca -0.01 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 2kuf n VAL 572 Cb 0.43 -0.67 -0.14 0.00 -1.47 0.00 0.00 33.84 31.98 2kuf n VAL 572 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kuf n ASP 573 N -2.12 1.10 0.15 -1.34 2.03 -0.83 -4.40 116.55 111.14 2kuf n ASP 573 Ca 0.05 0.13 -0.13 0.00 0.52 0.00 0.00 54.79 55.36 2kuf n ASP 573 Cb 0.38 0.02 -0.07 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.60 -0.41 -0.18 -1.67 0.00 -0.07 -2.78 119.26 114.76 2kuf h ALA 574 Ca -0.46 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.44 2kuf h ALA 574 Cb 2.07 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 20.07 2kuf h ALA 574 CO 0.03 -0.75 -0.30 0.93 0.00 0.00 0.00 179.25 179.15 2kuf h GLU 575 N -0.43 -0.34 -0.88 0.00 5.08 -1.54 0.23 114.58 116.70 2kuf h GLU 575 Ca -0.00 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2kuf h GLU 575 Cb 0.40 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2kuf h GLU 575 CO -0.04 -0.23 0.57 -1.00 -1.00 0.00 0.00 179.01 177.32 2kuf h PRO 576 N -0.35 0.97 -0.60 2.33 0.13 -1.78 -1.85 132.00 130.85 2kuf h PRO 576 Ca 0.11 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2kuf h PRO 576 Cb 0.52 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 2kuf h PRO 576 CO -0.37 0.64 0.07 0.00 -0.23 0.00 0.00 178.00 178.11 2kuf h ARG 577 N 1.00 0.98 -0.12 0.86 2.47 -0.77 -0.29 114.38 118.50 2kuf h ARG 577 Ca 0.38 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2kuf h ARG 577 Cb 0.20 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2kuf h ARG 577 CO -0.14 0.92 -0.01 -0.07 0.56 0.00 0.00 179.97 181.23 2kuf h LEU 578 N 0.92 0.22 -0.97 3.04 3.38 0.06 0.93 115.31 122.89 2kuf h LEU 578 Ca 0.18 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2kuf h LEU 578 Cb 0.44 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2kuf h LEU 578 CO 0.01 0.50 -0.19 0.08 0.09 0.00 0.00 178.44 178.94 2kuf h ARG 579 N -0.07 0.53 -0.25 1.13 0.11 -1.31 0.33 114.38 114.85 2kuf h ARG 579 Ca 0.03 -0.18 -0.09 0.00 0.10 0.00 0.00 59.98 59.85 2kuf h ARG 579 Cb 0.39 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 2kuf h ARG 579 CO 0.01 0.69 -0.22 0.00 0.10 0.00 0.00 179.97 180.55 2kuf h ALA 580 N 1.33 1.16 -0.00 0.08 0.00 -0.80 -1.40 119.26 119.62 2kuf h ALA 580 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kuf h ALA 580 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kuf h ALA 580 CO 0.04 0.53 -0.10 -0.11 0.00 0.00 0.00 179.25 179.61 2kuf n LEU 581 N -4.14 0.11 -2.96 0.00 7.94 0.30 -4.93 117.00 113.31 2kuf n LEU 581 Ca -0.00 0.39 -0.19 0.00 -1.11 0.00 0.00 56.01 55.10 2kuf n LEU 581 Cb 0.38 -0.44 0.06 0.00 0.53 0.00 0.00 43.42 43.96 2kuf n LEU 581 CO 0.41 0.03 0.19 0.61 -1.11 0.00 0.00 177.39 177.52 2kuf n GLY 582 N 1.49 -0.24 3.70 -3.96 0.00 -0.07 -4.97 105.19 101.15 2kuf n GLY 582 Ca 0.07 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.26 3.49 -0.11 1.61 -0.00 -0.21 -4.94 118.94 115.52 2kuf s TRP 583 Ca 0.42 1.53 0.21 0.00 -0.00 0.00 0.00 56.10 58.25 2kuf s TRP 583 Cb -0.19 -3.24 -0.22 0.00 -0.00 0.00 0.00 33.47 29.83 2kuf s TRP 583 CO 0.58 -0.47 0.61 0.25 -0.00 0.00 0.00 176.95 177.92 2kuf n THR 584 N 4.30 0.51 -1.16 5.86 -2.24 -1.26 -4.82 114.28 115.47 2kuf n THR 584 Ca 0.08 -0.59 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 2kuf n THR 584 Cb 0.49 -0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.33 -1.53 3.75 3.38 0.00 -0.90 -5.06 105.19 106.17 2kuf n GLY 585 Ca -0.08 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.89 3.10 -0.45 1.61 -2.45 -1.26 -5.00 119.30 110.95 2kuf s MET 586 Ca 0.23 -0.37 -0.24 0.00 -1.25 0.00 0.00 55.69 54.06 2kuf s MET 586 Cb -0.01 -2.90 0.03 0.00 1.25 0.00 0.00 34.83 33.20 2kuf s MET 586 CO 0.17 0.70 0.85 -1.17 1.05 0.00 0.00 175.02 176.62 2kuf s LEU 587 N -1.17 4.14 -0.51 4.11 2.96 -1.26 -4.18 118.68 122.77 2kuf s LEU 587 Ca 0.16 0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.90 2kuf s LEU 587 Cb -0.12 -3.07 0.07 0.00 0.50 0.00 0.00 46.19 43.57 2kuf s LEU 587 CO 0.06 -0.98 0.57 -0.62 -1.32 0.00 0.00 176.35 174.07 2kuf s ASP 588 N 2.19 6.20 -0.19 3.68 2.15 -0.97 -5.01 116.67 124.72 2kuf s ASP 588 Ca 0.33 -1.10 -0.22 0.00 0.43 0.00 0.00 52.55 51.99 2kuf s ASP 588 Cb -0.11 -2.26 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 2kuf s ASP 588 CO 0.24 -0.86 0.69 -0.75 -0.17 0.00 0.00 175.17 174.33 2kuf s LYS 589 N 2.37 4.23 0.00 4.34 2.36 -1.26 -1.12 119.74 130.66 2kuf s LYS 589 Ca 0.12 0.74 0.00 0.00 -2.55 0.00 0.00 55.97 54.28 2kuf s LYS 589 Cb -0.21 -3.58 0.00 0.00 -1.05 0.00 0.00 37.83 32.99 2kuf s LYS 589 CO 0.10 -0.28 0.00 0.41 1.55 0.00 0.00 175.35 177.13 2kuf n GLY 590 N 3.70 1.46 3.74 5.54 0.00 0.13 -4.92 105.19 114.85 2kuf n GLY 590 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.00 3.42 0.01 4.61 0.00 -1.26 -5.03 121.76 119.51 2kuf s ALA 591 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.69 2kuf s ALA 591 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2kuf s ALA 591 CO 0.00 0.49 0.03 0.16 0.00 0.00 0.00 175.76 176.44 2kuf s ASP 592 N -3.06 5.34 -0.11 0.00 1.47 -1.26 -3.35 116.67 115.70 2kuf s ASP 592 Ca 0.30 0.03 -0.04 0.00 1.18 0.00 0.00 52.55 54.02 2kuf s ASP 592 Cb -0.10 -1.44 -0.04 0.00 -0.34 0.00 0.00 42.92 41.01 2kuf s ASP 592 CO 0.21 0.26 0.05 -0.69 0.68 0.00 0.00 175.17 175.69 2kuf s VAL 593 N -1.16 4.72 -0.04 2.11 1.01 0.34 -4.80 120.40 122.58 2kuf s VAL 593 Ca 0.22 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2kuf s VAL 593 Cb -0.12 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2kuf s VAL 593 CO 0.13 0.59 1.31 1.51 0.00 0.00 0.00 175.10 178.64 2kuf s ASP 594 N -0.77 6.94 0.39 3.32 1.47 -1.26 -0.55 116.67 126.22 2kuf s ASP 594 Ca 0.12 1.95 0.00 0.00 1.18 0.00 0.00 52.55 55.81 2kuf s ASP 594 Cb -0.12 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 2kuf s ASP 594 CO 0.03 -0.67 0.00 0.00 0.68 0.00 0.00 175.17 175.21 2kuf n ALA 595 N 5.42 0.05 0.00 2.11 0.00 -1.26 -4.93 120.51 121.91 2kuf n ALA 595 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kuf n ALA 595 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.45 2.53 0.35 0.00 0.00 -1.26 -4.50 105.19 100.87 2kuf n GLY 596 Ca 0.00 -1.80 0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.92 0.03 103.07 103.50 2kuf h GLY 597 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2kuf h GLY 597 CO 0.00 0.06 -0.32 1.48 0.00 0.00 0.00 176.54 177.76 2kuf h SER 598 N 0.25 0.00 0.00 0.19 4.64 -1.99 -2.18 113.55 114.46 2kuf h SER 598 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2kuf h SER 598 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2kuf h SER 598 CO -0.05 0.32 -0.07 0.00 -0.87 0.00 0.00 176.83 176.16 2kuf n GLN 599 N -3.44 1.82 -1.83 4.77 1.13 -0.06 -5.00 117.38 114.78 2kuf n GLN 599 Ca 0.00 -1.32 -0.02 0.00 -1.94 0.00 0.00 57.00 53.72 2kuf n GLN 599 Cb 0.50 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.36 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 0.57 -1.35 -2.58 1.08 8.25 -0.82 -4.89 115.22 115.47 2kuf n HIS 600 Ca 0.15 0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 57.97 2kuf n HIS 600 Cb 0.47 -2.23 -0.01 0.00 1.12 0.00 0.00 29.99 29.33 2kuf n HIS 600 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2kuf s ASN 601 N -0.21 6.73 0.26 0.41 0.01 -1.24 -4.82 114.94 116.08 2kuf s ASN 601 Ca -0.08 -2.14 0.08 0.00 -0.71 0.00 0.00 52.86 50.01 2kuf s ASN 601 Cb 0.01 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2kuf s ASN 601 CO 0.24 -1.27 0.14 -0.13 -1.51 0.00 0.00 177.10 174.57 2kuf s ARG 602 N 4.40 2.71 0.16 -0.60 0.52 -1.26 -4.30 118.95 120.59 2kuf s ARG 602 Ca 0.51 -1.19 -0.31 0.00 -0.52 0.00 0.00 55.73 54.22 2kuf s ARG 602 Cb 0.02 -2.43 -0.10 0.00 0.52 0.00 0.00 34.95 32.97 2kuf s ARG 602 CO 0.02 0.37 1.55 0.08 0.02 0.00 0.00 175.30 177.34 2kuf s VAL 603 N -2.21 2.69 -0.15 3.52 1.01 0.99 -1.26 120.40 124.99 2kuf s VAL 603 Ca 0.33 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.81 2kuf s VAL 603 Cb -0.07 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 2kuf s VAL 603 CO 0.23 0.04 -0.13 0.52 0.00 0.00 0.00 175.10 175.76 2kuf n VAL 604 N 3.90 0.85 -3.85 2.92 0.31 -0.47 -3.31 118.33 118.68 2kuf n VAL 604 Ca 0.13 -0.32 -0.12 0.00 -0.01 0.00 0.00 64.34 64.02 2kuf n VAL 604 Cb 0.39 -1.05 -0.12 0.00 -0.91 0.00 0.00 33.84 32.15 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 -2.30 -0.06 0.01 3.52 6.14 -1.15 -4.93 117.35 118.58 2kuf s TYR 605 Ca -0.20 0.16 0.01 0.00 0.64 0.00 0.00 57.07 57.68 2kuf s TYR 605 Cb 0.05 0.01 -0.01 0.00 0.42 0.00 0.00 41.96 42.43 2kuf s TYR 605 CO 0.34 -0.10 -0.04 1.14 0.64 0.00 0.00 175.55 177.53 2kuf s GLN 606 N -0.25 0.32 0.02 4.97 -2.07 -1.26 -0.68 119.66 120.71 2kuf s GLN 606 Ca -0.03 -0.32 -0.25 0.00 -1.82 0.00 0.00 55.36 52.93 2kuf s GLN 606 Cb -0.02 -0.21 -0.17 0.00 -1.09 0.00 0.00 33.01 31.52 2kuf s GLN 606 CO 0.00 0.05 1.35 -0.97 -1.32 0.00 0.00 175.29 174.40 2kuf h ASN 607 N 5.53 -0.26 -3.43 12.60 -0.73 -1.48 -3.39 115.58 124.43 2kuf h ASN 607 Ca -0.29 -0.19 -0.65 0.00 1.87 0.00 0.00 56.30 57.04 2kuf h ASN 607 Cb 1.20 0.07 -0.15 0.00 0.27 0.00 0.00 38.32 39.71 2kuf h ASN 607 CO 0.47 0.06 0.24 -2.16 -0.37 0.00 0.00 177.43 175.68 2kuf s PRO 608 N -4.93 3.27 0.76 6.67 0.05 -1.26 -5.06 135.00 134.51 2kuf s PRO 608 Ca -0.15 -0.43 -0.11 0.00 0.05 0.00 0.00 61.00 60.36 2kuf s PRO 608 Cb 0.03 -4.01 0.05 0.00 0.05 0.00 0.00 34.50 30.62 2kuf s PRO 608 CO 0.59 -1.19 1.08 -2.14 0.05 0.00 0.00 177.00 175.40 2kuf s PRO 609 N 3.10 2.36 0.30 0.56 0.02 -1.26 -4.96 135.00 135.11 2kuf s PRO 609 Ca 0.24 1.09 -0.29 0.00 0.02 0.00 0.00 61.00 62.05 2kuf s PRO 609 Cb -0.15 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 2kuf s PRO 609 CO 0.18 -1.55 1.30 0.00 -0.33 0.00 0.00 177.00 176.60 2kuf s ALA 610 N -2.94 3.51 0.00 -1.55 0.00 -1.26 -2.06 121.76 117.45 2kuf s ALA 610 Ca 0.60 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2kuf s ALA 610 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2kuf s ALA 610 CO 0.56 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2kuf n GLY 611 N 1.24 0.51 3.89 0.00 0.00 0.84 -4.94 105.19 106.72 2kuf n GLY 611 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.18 5.07 -0.01 2.61 2.01 -0.88 -4.77 115.64 117.49 2kuf s THR 612 Ca 0.00 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 2kuf s THR 612 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2kuf s THR 612 CO 0.00 -0.01 1.21 -0.83 -0.69 0.00 0.00 174.62 174.29 2kuf s GLY 613 N -2.93 2.23 0.02 4.40 0.00 -1.26 -1.51 107.32 108.26 2kuf s GLY 613 Ca 0.33 0.72 0.09 0.00 0.00 0.00 0.00 44.72 45.86 2kuf s GLY 613 CO 0.26 2.15 -0.26 -1.34 0.00 0.00 0.00 173.10 173.92 2kuf s VAL 614 N 1.76 2.11 1.11 1.40 -7.23 0.02 -4.85 120.40 114.72 2kuf s VAL 614 Ca 0.57 -1.28 -0.19 0.00 -1.81 0.00 0.00 61.98 59.28 2kuf s VAL 614 Cb -0.27 -1.78 0.09 0.00 0.56 0.00 0.00 36.38 34.98 2kuf s VAL 614 CO 0.25 0.45 -0.03 -0.46 -0.31 0.00 0.00 175.10 175.01 2kuf n ASN 615 N 2.04 -2.38 0.29 4.85 6.94 -1.26 -0.73 115.26 125.00 2kuf n ASN 615 Ca -0.17 -0.10 0.14 0.00 -0.02 0.00 0.00 54.58 54.43 2kuf n ASN 615 Cb 0.52 -0.95 0.85 0.00 -2.36 0.00 0.00 39.78 37.83 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 -2.01 0.00 -0.00 -3.83 0.11 -1.08 0.36 114.38 107.93 2kuf h ARG 616 Ca -0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.55 2kuf h ARG 616 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2kuf h ARG 616 CO 0.38 0.01 -0.13 -0.25 0.10 0.00 0.00 179.97 180.08 2kuf n ASP 617 N -3.97 0.24 -1.04 0.08 9.92 -1.26 -4.81 116.55 115.71 2kuf n ASP 617 Ca -0.03 -0.06 -0.14 0.00 -0.53 0.00 0.00 54.79 54.04 2kuf n ASP 617 Cb 0.09 -0.20 -0.06 0.00 -0.64 0.00 0.00 41.12 40.32 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kuf n GLY 618 N 1.40 1.41 3.66 0.44 0.00 0.13 -2.12 105.19 110.11 2kuf n GLY 618 Ca 0.10 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 3.89 -0.05 -0.61 -1.16 -1.26 -4.91 121.20 114.64 2kuf s ILE 619 Ca 0.00 1.07 0.04 0.00 -0.51 0.00 0.00 60.65 61.25 2kuf s ILE 619 Cb 0.00 -3.72 0.00 0.00 0.61 0.00 0.00 42.46 39.35 2kuf s ILE 619 CO 0.00 -0.12 -0.17 0.27 -2.81 0.00 0.00 174.94 172.11 2kuf s ILE 620 N 3.94 1.41 -0.18 2.00 -4.36 -1.26 -4.86 121.20 117.88 2kuf s ILE 620 Ca 0.65 -0.69 -0.06 0.00 -0.26 0.00 0.00 60.65 60.29 2kuf s ILE 620 Cb -0.27 -1.22 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 2kuf s ILE 620 CO 0.23 0.41 0.03 0.28 0.24 0.00 0.00 174.94 176.13 2kuf s THR 621 N 0.18 4.43 0.16 8.37 -1.32 -1.26 -2.28 115.64 123.93 2kuf s THR 621 Ca -0.07 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.24 2kuf s THR 621 Cb -0.13 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2kuf s THR 621 CO 0.03 0.46 0.07 -1.48 -2.21 0.00 0.00 174.62 171.49 2kuf s LEU 622 N 0.52 1.64 -0.03 9.08 0.05 -0.27 -1.02 118.68 128.64 2kuf s LEU 622 Ca 0.01 -1.26 0.04 0.00 0.05 0.00 0.00 54.13 52.97 2kuf s LEU 622 Cb -0.13 0.27 -0.01 0.00 -2.05 0.00 0.00 46.19 44.27 2kuf s LEU 622 CO 0.02 -0.74 -0.15 0.00 -0.55 0.00 0.00 176.35 174.92 2kuf s ARG 623 N -4.06 1.47 0.16 1.48 1.70 0.14 -0.69 118.95 119.15 2kuf s ARG 623 Ca 0.29 -0.54 -0.03 0.00 -0.47 0.00 0.00 55.73 54.97 2kuf s ARG 623 Cb 0.07 -1.33 -0.03 0.00 -0.57 0.00 0.00 34.95 33.09 2kuf s ARG 623 CO 0.05 0.26 0.15 -0.59 -1.08 0.00 0.00 175.30 174.09 2kuf s PHE 624 N -0.08 0.82 0.53 5.89 -0.71 -1.21 -1.36 117.98 121.85 2kuf s PHE 624 Ca -0.00 -1.15 -0.22 0.00 -1.04 0.00 0.00 56.93 54.52 2kuf s PHE 624 Cb -0.09 -0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 41.29 2kuf s PHE 624 CO 0.01 -0.62 1.36 0.20 -1.34 0.00 0.00 175.22 174.83 2kuf s GLY 625 N -3.06 2.89 0.00 1.99 0.00 -0.39 -0.51 107.32 108.25 2kuf s GLY 625 Ca 0.27 1.34 0.21 0.00 0.00 0.00 0.00 44.72 46.54 2kuf s GLY 625 CO 0.05 1.88 1.66 0.61 0.00 0.00 0.00 173.10 177.29