#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 -4.92 135.00 134.76 2kuf s PRO 492 Ca 0.00 1.77 0.16 0.00 0.02 0.00 0.00 61.00 62.95 2kuf s PRO 492 Cb 0.00 -2.85 0.53 0.00 0.02 0.00 0.00 34.50 32.20 2kuf s PRO 492 CO 0.00 -0.08 1.40 0.00 -0.33 0.00 0.00 177.00 177.99 2kuf n ALA 493 N 0.48 2.48 -2.84 -1.55 0.00 -1.26 -4.83 120.51 112.98 2kuf n ALA 493 Ca 0.02 -0.60 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 2kuf n ALA 493 Cb 0.46 -1.02 -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 -1.63 0.58 -0.15 0.00 -4.23 -1.26 0.32 115.64 109.26 2kuf s THR 494 Ca 0.29 -1.05 -0.10 0.00 -1.18 0.00 0.00 61.69 59.65 2kuf s THR 494 Cb 0.15 -0.63 0.05 0.00 1.34 0.00 0.00 72.50 73.41 2kuf s THR 494 CO 0.22 -0.34 0.38 -0.75 -0.54 0.00 0.00 174.62 173.59 2kuf s LYS 495 N -1.51 0.38 0.06 3.99 2.36 0.51 -4.76 119.74 120.78 2kuf s LYS 495 Ca -0.09 0.69 -0.28 0.00 -2.55 0.00 0.00 55.97 53.74 2kuf s LYS 495 Cb -0.10 0.02 -0.05 0.00 -1.05 0.00 0.00 37.83 36.66 2kuf s LYS 495 CO 0.01 -0.13 0.91 0.16 1.55 0.00 0.00 175.35 177.84 2kuf s ASP 496 N 1.07 7.37 0.10 1.43 -4.77 -1.26 -1.15 116.67 119.45 2kuf s ASP 496 Ca -0.07 1.64 -0.23 0.00 -3.30 0.00 0.00 52.55 50.59 2kuf s ASP 496 Cb -0.07 -2.55 -0.07 0.00 -1.09 0.00 0.00 42.92 39.14 2kuf s ASP 496 CO -0.09 -0.10 0.70 0.27 0.70 0.00 0.00 175.17 176.65 2kuf s ILE 497 N 0.30 4.60 1.05 2.11 -4.36 -0.65 -4.93 121.20 119.32 2kuf s ILE 497 Ca 0.46 1.51 -0.17 0.00 -0.26 0.00 0.00 60.65 62.19 2kuf s ILE 497 Cb -0.22 -4.05 0.23 0.00 1.25 0.00 0.00 42.46 39.68 2kuf s ILE 497 CO 0.27 0.48 1.26 -2.16 0.24 0.00 0.00 174.94 175.03 2kuf s PRO 498 N -0.79 -0.06 -0.82 0.37 0.04 -1.26 -0.07 135.00 132.40 2kuf s PRO 498 Ca 0.34 -0.33 -0.26 0.00 0.04 0.00 0.00 61.00 60.79 2kuf s PRO 498 Cb -0.21 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.61 2kuf s PRO 498 CO 0.23 -2.89 1.33 0.16 0.04 0.00 0.00 177.00 175.86 2kuf s ASP 499 N -4.59 6.26 0.00 6.66 -4.77 -1.26 -4.53 116.67 114.44 2kuf s ASP 499 Ca 0.74 -0.76 0.26 0.00 -3.30 0.00 0.00 52.55 49.48 2kuf s ASP 499 Cb -0.05 -2.56 0.54 0.00 -1.09 0.00 0.00 42.92 39.75 2kuf s ASP 499 CO 0.54 -1.74 1.45 1.33 0.70 0.00 0.00 175.17 177.45 2kuf n VAL 500 N 6.53 0.00 -2.39 2.11 0.24 -1.26 -4.82 118.33 118.74 2kuf n VAL 500 Ca 0.12 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 2kuf n VAL 500 Cb 0.50 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 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 -2.11 2.92 0.00 2.33 0.00 -1.26 -3.31 121.76 120.34 2kuf s ALA 501 Ca 0.30 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2kuf s ALA 501 Cb 0.20 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2kuf s ALA 501 CO 0.37 -2.69 0.00 0.41 0.00 0.00 0.00 175.76 173.85 2kuf n GLY 502 N 5.17 1.42 3.18 0.00 0.00 -0.02 -4.94 105.19 109.99 2kuf n GLY 502 Ca 0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 0.68 -1.73 1.61 10.64 -1.21 -4.79 117.38 122.59 2kuf n GLN 503 Ca 0.00 -2.55 -0.33 0.00 -1.83 0.00 0.00 57.00 52.29 2kuf n GLN 503 Cb 0.00 -0.18 0.05 0.00 -0.86 0.00 0.00 30.24 29.25 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2kuf s THR 504 N -1.94 3.33 0.19 -0.39 2.01 -1.26 -1.20 115.64 116.37 2kuf s THR 504 Ca 0.49 0.59 -0.12 0.00 0.31 0.00 0.00 61.69 62.96 2kuf s THR 504 Cb -0.04 -3.12 0.10 0.00 0.01 0.00 0.00 72.50 69.46 2kuf s THR 504 CO 0.31 -0.41 1.75 1.62 -0.69 0.00 0.00 174.62 177.20 2kuf h VAL 505 N -0.07 0.82 -0.83 3.82 3.04 -0.83 0.32 116.25 122.53 2kuf h VAL 505 Ca -0.46 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 2kuf h VAL 505 Cb 1.24 0.41 -0.04 0.00 -2.01 0.00 0.00 31.29 30.89 2kuf h VAL 505 CO 0.54 0.07 0.44 -0.78 -1.01 0.00 0.00 177.57 176.83 2kuf h ASP 506 N 0.38 1.04 -0.02 3.17 3.58 -1.92 0.33 116.42 122.98 2kuf h ASP 506 Ca 0.26 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2kuf h ASP 506 Cb 0.28 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2kuf h ASP 506 CO -0.25 0.85 -0.07 0.58 -2.88 0.00 0.00 179.24 177.46 2kuf h VAL 507 N 1.16 1.50 -0.56 2.25 2.07 -1.75 -2.63 116.25 118.29 2kuf h VAL 507 Ca 0.29 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2kuf h VAL 507 Cb 0.05 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 2kuf h VAL 507 CO -0.04 0.42 0.34 0.00 0.02 0.00 0.00 177.57 178.30 2kuf h ALA 508 N 0.37 0.72 -0.30 1.67 0.00 -0.09 0.25 119.26 121.88 2kuf h ALA 508 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kuf h ALA 508 CO 0.02 0.06 0.06 1.96 0.00 0.00 0.00 179.25 181.34 2kuf h GLN 509 N 0.67 0.49 -0.39 0.00 4.20 -0.99 -2.07 115.11 117.01 2kuf h GLN 509 Ca 0.22 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 2kuf h GLN 509 Cb 0.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2kuf h GLN 509 CO -0.10 0.58 -0.24 1.57 -0.67 0.00 0.00 178.83 179.98 2kuf h LYS 510 N 0.32 0.80 -0.16 1.46 2.10 -1.07 -1.89 116.57 118.13 2kuf h LYS 510 Ca 0.09 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2kuf h LYS 510 Cb 0.32 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2kuf h LYS 510 CO 0.00 0.96 0.11 -0.91 -2.00 0.00 0.00 179.45 177.61 2kuf h ASN 511 N 0.69 0.19 -0.12 7.07 4.21 -0.30 0.25 115.58 127.57 2kuf h ASN 511 Ca 0.09 -0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.47 2kuf h ASN 511 Cb 0.76 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.90 2kuf h ASN 511 CO 0.06 0.14 -0.33 0.17 -1.29 0.00 0.00 177.43 176.17 2kuf h LEU 512 N 0.22 0.64 -0.96 1.61 8.10 -1.35 -2.90 115.31 120.67 2kuf h LEU 512 Ca 0.06 -0.26 -0.08 0.00 0.11 0.00 0.00 57.88 57.71 2kuf h LEU 512 Cb -0.02 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.00 2kuf h LEU 512 CO -0.01 0.92 -0.13 -1.13 -4.11 0.00 0.00 178.44 173.98 2kuf h ASN 513 N 0.52 0.60 -0.29 0.17 -0.00 -0.62 0.23 115.58 116.18 2kuf h ASN 513 Ca 0.06 -0.17 -0.01 0.00 -0.00 0.00 0.00 56.30 56.18 2kuf h ASN 513 Cb 0.83 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.97 2kuf h ASN 513 CO 0.07 0.76 0.16 0.58 -0.00 0.00 0.00 177.43 179.00 2kuf h VAL 514 N 0.56 1.11 -0.01 2.57 2.07 -0.33 0.51 116.25 122.72 2kuf h VAL 514 Ca 0.10 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2kuf h VAL 514 Cb 0.55 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2kuf h VAL 514 CO 0.03 0.12 -0.41 -1.22 0.02 0.00 0.00 177.57 176.12 2kuf n TYR 515 N -4.44 0.00 0.01 1.57 4.01 -0.82 -4.69 117.16 112.79 2kuf n TYR 515 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2kuf n TYR 515 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 1.30 -0.01 2.29 2.72 0.00 0.73 -5.00 105.19 107.22 2kuf n GLY 516 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.98 -0.45 -0.74 1.61 3.72 0.17 -5.00 117.46 113.80 2kuf n PHE 517 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kuf n PHE 517 Cb 0.39 -2.73 0.00 0.00 -0.94 0.00 0.00 39.48 36.20 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 -3.62 0.00 -5.01 4.37 -2.24 -1.26 -5.05 114.28 101.48 2kuf n THR 518 Ca -0.15 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 2kuf n THR 518 Cb 0.57 -1.99 -0.15 0.00 -2.10 0.00 0.00 70.33 66.66 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 -2.10 1.97 0.09 -0.78 1.02 -1.24 -4.97 119.74 113.73 2kuf s LYS 519 Ca 0.00 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 55.02 2kuf s LYS 519 Cb 0.00 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2kuf s LYS 519 CO 0.00 0.54 -0.11 -0.59 -0.92 0.00 0.00 175.35 174.27 2kuf s PHE 520 N -0.75 1.07 0.07 3.18 -0.12 -1.26 -0.29 117.98 119.87 2kuf s PHE 520 Ca 0.11 -0.59 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 2kuf s PHE 520 Cb -0.10 -0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 41.67 2kuf s PHE 520 CO 0.01 0.01 -0.11 -1.12 -0.05 0.00 0.00 175.22 173.96 2kuf s SER 521 N -2.18 1.41 -0.06 1.98 0.01 0.11 -4.86 113.70 110.11 2kuf s SER 521 Ca 0.02 -0.66 0.04 0.00 1.31 0.00 0.00 55.95 56.67 2kuf s SER 521 Cb -0.05 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 2kuf s SER 521 CO 0.01 -0.16 -0.19 0.00 0.41 0.00 0.00 173.24 173.31 2kuf s GLN 522 N -2.00 2.15 -0.18 12.44 -2.07 -1.26 -0.28 119.66 128.46 2kuf s GLN 522 Ca -0.02 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 2kuf s GLN 522 Cb -0.08 -1.78 0.04 0.00 -1.09 0.00 0.00 33.01 30.10 2kuf s GLN 522 CO 0.01 0.22 -0.10 0.00 -1.32 0.00 0.00 175.29 174.10 2kuf s ALA 523 N 0.17 1.85 -0.23 2.60 0.00 0.37 -4.93 121.76 121.59 2kuf s ALA 523 Ca -0.09 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 2kuf s ALA 523 Cb -0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2kuf s ALA 523 CO 0.04 -0.70 0.23 -1.12 0.00 0.00 0.00 175.76 174.20 2kuf s SER 524 N 1.47 6.20 0.14 0.00 0.01 -1.26 -0.02 113.70 120.25 2kuf s SER 524 Ca 0.01 0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.56 2kuf s SER 524 Cb -0.15 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2kuf s SER 524 CO -0.09 0.02 -0.17 0.54 0.41 0.00 0.00 173.24 173.96 2kuf s VAL 525 N 1.14 1.63 0.11 3.43 0.11 0.22 -4.96 120.40 122.08 2kuf s VAL 525 Ca 0.11 -1.79 -0.28 0.00 -2.93 0.00 0.00 61.98 57.09 2kuf s VAL 525 Cb -0.14 -1.69 -0.06 0.00 -1.53 0.00 0.00 36.38 32.96 2kuf s VAL 525 CO 0.05 -0.31 0.88 1.51 -3.33 0.00 0.00 175.10 173.90 2kuf s ASP 526 N -2.47 7.41 -0.28 3.54 -4.77 -1.26 -0.75 116.67 118.08 2kuf s ASP 526 Ca 0.12 1.68 -0.24 0.00 -3.30 0.00 0.00 52.55 50.81 2kuf s ASP 526 Cb -0.06 -2.54 0.12 0.00 -1.09 0.00 0.00 42.92 39.35 2kuf s ASP 526 CO 0.05 0.01 1.01 -0.44 0.70 0.00 0.00 175.17 176.50 2kuf s SER 527 N -0.24 -0.47 0.00 2.11 0.01 0.49 -4.85 113.70 110.75 2kuf s SER 527 Ca 0.43 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2kuf s SER 527 Cb -0.23 0.94 0.00 0.00 0.21 0.00 0.00 66.02 66.94 2kuf s SER 527 CO 0.27 -0.15 0.03 -2.65 0.41 0.00 0.00 173.24 171.15 2kuf n PRO 528 N 2.37 0.00 -2.81 12.44 -0.02 -1.26 -2.72 135.00 143.00 2kuf n PRO 528 Ca -0.13 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.00 2kuf n PRO 528 Cb 0.56 -1.04 -0.07 0.00 -0.02 0.00 0.00 33.50 32.94 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 -1.85 4.40 0.40 -0.52 3.00 -1.26 -4.79 118.95 118.33 2kuf s ARG 529 Ca 0.00 1.21 -0.26 0.00 0.00 0.00 0.00 55.73 56.68 2kuf s ARG 529 Cb 0.00 -2.51 -0.10 0.00 0.00 0.00 0.00 34.95 32.34 2kuf s ARG 529 CO 0.00 0.14 1.35 -2.30 0.00 0.00 0.00 175.30 174.49 2kuf n PRO 530 N -0.01 2.18 -1.72 3.54 -0.02 -1.26 -1.20 135.00 136.51 2kuf n PRO 530 Ca 0.04 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 2kuf n PRO 530 Cb 0.52 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 531 N -1.16 3.26 0.00 3.55 0.00 -1.24 -1.80 121.76 124.37 2kuf s ALA 531 Ca 0.58 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2kuf s ALA 531 Cb -0.50 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 18.70 2kuf s ALA 531 CO 0.60 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.75 2kuf n GLY 532 N 4.94 1.87 3.70 0.00 0.00 -0.72 -4.96 105.19 110.02 2kuf n GLY 532 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 4.46 -0.41 1.61 2.12 -0.75 -0.09 118.70 125.64 2kuf s GLU 533 Ca 0.00 1.56 -0.24 0.00 0.36 0.00 0.00 54.97 56.65 2kuf s GLU 533 Cb 0.00 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.95 2kuf s GLU 533 CO 0.00 -0.23 0.86 0.08 -0.54 0.00 0.00 175.26 175.43 2kuf s VAL 534 N 1.43 4.61 -1.92 3.70 1.01 -0.34 -0.88 120.40 128.01 2kuf s VAL 534 Ca 0.54 0.85 0.30 0.00 0.00 0.00 0.00 61.98 63.66 2kuf s VAL 534 Cb -0.24 -4.32 0.60 0.00 0.00 0.00 0.00 36.38 32.43 2kuf s VAL 534 CO 0.25 -0.62 1.94 0.35 0.00 0.00 0.00 175.10 177.03 2kuf n THR 535 N 6.07 0.00 0.00 3.92 -2.24 -0.55 -0.84 114.28 120.64 2kuf n THR 535 Ca 0.05 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2kuf n THR 535 Cb 0.48 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.18 0.02 3.54 3.38 0.00 -1.24 -4.80 105.19 107.27 2kuf n GLY 536 Ca 0.18 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.61 2.91 0.09 2.61 -4.23 -1.26 -0.40 115.64 113.75 2kuf s THR 537 Ca 0.00 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.24 2kuf s THR 537 Cb 0.00 -2.50 -0.13 0.00 1.34 0.00 0.00 72.50 71.21 2kuf s THR 537 CO 0.00 -0.29 1.73 -1.13 -0.54 0.00 0.00 174.62 174.39 2kuf h ASN 538 N 2.41 0.06 -3.13 3.99 -0.73 -1.87 -3.38 115.58 112.93 2kuf h ASN 538 Ca -0.44 -0.02 -0.54 0.00 1.87 0.00 0.00 56.30 57.17 2kuf h ASN 538 Cb 1.24 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.81 2kuf h ASN 538 CO 0.57 0.06 0.62 -2.16 -0.37 0.00 0.00 177.43 176.16 2kuf s PRO 539 N -6.10 4.40 0.76 6.67 0.04 -1.26 -5.01 135.00 134.49 2kuf s PRO 539 Ca -0.13 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 2kuf s PRO 539 Cb 0.06 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 31.27 2kuf s PRO 539 CO 0.67 -0.33 1.17 -2.14 0.04 0.00 0.00 177.00 176.41 2kuf s PRO 540 N 1.37 2.02 0.19 0.56 0.02 -1.26 -4.90 135.00 133.00 2kuf s PRO 540 Ca 0.59 1.61 -0.32 0.00 0.02 0.00 0.00 61.00 62.90 2kuf s PRO 540 Cb -0.30 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.27 2kuf s PRO 540 CO 0.28 -1.89 1.71 0.00 -0.33 0.00 0.00 177.00 176.76 2kuf n ALA 541 N -3.05 2.54 0.00 -1.55 0.00 -1.26 -1.51 120.51 115.67 2kuf n ALA 541 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2kuf n ALA 541 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 3.90 1.83 3.73 0.00 0.00 0.89 -4.93 105.19 110.61 2kuf n GLY 542 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.44 4.07 -0.09 2.61 2.01 -0.57 -4.64 115.64 116.59 2kuf s THR 543 Ca 0.00 1.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 2kuf s THR 543 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2kuf s THR 543 CO 0.00 0.24 1.17 0.28 -0.69 0.00 0.00 174.62 175.62 2kuf s THR 544 N 0.14 4.38 0.24 -0.82 -1.32 -1.26 -1.64 115.64 115.36 2kuf s THR 544 Ca 0.51 1.69 0.09 0.00 -1.21 0.00 0.00 61.69 62.77 2kuf s THR 544 Cb -0.28 -4.09 -0.05 0.00 -1.51 0.00 0.00 72.50 66.58 2kuf s THR 544 CO 0.33 -0.03 -0.15 0.68 -2.21 0.00 0.00 174.62 173.23 2kuf s VAL 545 N 2.45 1.99 0.23 5.08 -7.23 -0.30 -4.91 120.40 117.71 2kuf s VAL 545 Ca 0.54 -2.27 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 2kuf s VAL 545 Cb -0.22 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 2kuf s VAL 545 CO 0.19 -0.48 1.19 -2.84 -0.31 0.00 0.00 175.10 172.84 2kuf s PRO 546 N -3.61 4.51 0.59 4.82 0.02 -1.26 -0.36 135.00 139.72 2kuf s PRO 546 Ca 0.26 1.90 0.38 0.00 0.02 0.00 0.00 61.00 63.55 2kuf s PRO 546 Cb -0.02 -3.21 1.78 0.00 0.02 0.00 0.00 34.50 33.07 2kuf s PRO 546 CO 0.10 -0.02 2.13 -0.24 -0.33 0.00 0.00 177.00 178.64 2kuf h VAL 547 N 3.51 0.00 -0.00 3.83 3.04 -0.43 -1.54 116.25 124.66 2kuf h VAL 547 Ca -0.46 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2kuf h VAL 547 Cb 1.21 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 2kuf h VAL 547 CO 0.72 0.00 -0.37 -0.67 -1.01 0.00 0.00 177.57 176.24 2kuf n ASP 548 N -3.06 0.70 -4.94 3.17 2.03 -1.26 -4.46 116.55 108.73 2kuf n ASP 548 Ca -0.01 -0.51 -0.25 0.00 0.52 0.00 0.00 54.79 54.54 2kuf n ASP 548 Cb 0.21 0.17 0.04 0.00 -0.72 0.00 0.00 41.12 40.82 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kuf s SER 549 N -2.77 5.29 -0.23 1.67 0.15 -0.58 -4.92 113.70 112.31 2kuf s SER 549 Ca 0.17 0.44 -0.06 0.00 0.70 0.00 0.00 55.95 57.21 2kuf s SER 549 Cb 0.18 -1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.15 2kuf s SER 549 CO 0.61 -1.22 0.01 0.54 1.20 0.00 0.00 173.24 174.38 2kuf s VAL 550 N -2.99 3.90 -0.02 4.45 0.11 -1.26 -3.62 120.40 120.97 2kuf s VAL 550 Ca 0.56 -0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 59.07 2kuf s VAL 550 Cb -0.10 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.90 2kuf s VAL 550 CO 0.43 0.39 0.67 -0.63 -3.33 0.00 0.00 175.10 172.63 2kuf s ILE 551 N 1.40 4.92 -0.29 7.04 1.01 0.60 -4.86 121.20 131.02 2kuf s ILE 551 Ca 0.05 1.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.99 2kuf s ILE 551 Cb -0.15 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 2kuf s ILE 551 CO 0.01 0.35 0.15 -1.83 0.00 0.00 0.00 174.94 173.62 2kuf s GLU 552 N 0.18 3.57 -0.37 2.79 1.03 -1.26 0.05 118.70 124.70 2kuf s GLU 552 Ca 0.35 -0.56 -0.19 0.00 0.03 0.00 0.00 54.97 54.59 2kuf s GLU 552 Cb -0.18 -3.57 0.00 0.00 -0.80 0.00 0.00 34.13 29.58 2kuf s GLU 552 CO 0.19 -0.31 0.58 -0.51 -1.33 0.00 0.00 175.26 173.87 2kuf s LEU 553 N 1.66 4.35 -0.58 1.83 2.01 0.62 -2.31 118.68 126.26 2kuf s LEU 553 Ca 0.06 -0.02 -0.25 0.00 0.01 0.00 0.00 54.13 53.93 2kuf s LEU 553 Cb -0.16 -2.68 0.04 0.00 0.01 0.00 0.00 46.19 43.40 2kuf s LEU 553 CO 0.07 -0.57 1.00 -1.10 1.01 0.00 0.00 176.35 176.76 2kuf s GLN 554 N 2.57 3.32 -0.09 1.70 1.11 0.46 -0.48 119.66 128.26 2kuf s GLN 554 Ca 0.21 -0.26 -0.16 0.00 0.01 0.00 0.00 55.36 55.16 2kuf s GLN 554 Cb -0.15 -4.07 -0.05 0.00 -1.01 0.00 0.00 33.01 27.73 2kuf s GLN 554 CO 0.15 -1.58 0.43 0.08 0.01 0.00 0.00 175.29 174.37 2kuf s VAL 555 N 4.19 5.16 -0.13 1.09 1.01 0.98 -1.49 120.40 131.22 2kuf s VAL 555 Ca 0.31 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 2kuf s VAL 555 Cb -0.12 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2kuf s VAL 555 CO 0.19 0.41 0.03 -0.44 0.00 0.00 0.00 175.10 175.28 2kuf s SER 556 N 0.12 5.43 -0.13 3.32 0.01 -0.06 -0.61 113.70 121.78 2kuf s SER 556 Ca 0.24 0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.64 2kuf s SER 556 Cb -0.15 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 2kuf s SER 556 CO 0.10 0.30 -0.17 -1.59 0.41 0.00 0.00 173.24 172.29 2kuf s LYS 557 N -0.39 3.23 0.60 12.44 -2.85 0.07 -1.76 119.74 131.08 2kuf s LYS 557 Ca 0.08 -0.76 0.31 0.00 -1.00 0.00 0.00 55.97 54.60 2kuf s LYS 557 Cb -0.12 -2.55 1.82 0.00 -2.06 0.00 0.00 37.83 34.92 2kuf s LYS 557 CO 0.02 0.12 2.21 0.78 0.10 0.00 0.00 175.35 178.57 2kuf h GLY 558 N 6.96 0.00 -2.10 0.59 0.00 -0.95 0.14 103.07 107.72 2kuf h GLY 558 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.72 2kuf h GLY 558 CO 0.54 0.00 -0.41 -2.01 0.00 0.00 0.00 176.54 174.66 2kuf n ASN 559 N -3.74 -5.01 -4.60 0.19 5.15 -1.26 -4.40 115.26 101.59 2kuf n ASN 559 Ca -0.01 0.07 -0.29 0.00 -0.60 0.00 0.00 54.58 53.74 2kuf n ASN 559 Cb 0.17 -4.08 -0.09 0.00 -0.53 0.00 0.00 39.78 35.24 2kuf n ASN 559 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2kuf s GLN 560 N -4.57 2.18 0.05 1.20 -0.21 -1.26 -2.21 119.66 114.85 2kuf s GLN 560 Ca 0.00 -1.05 0.05 0.00 0.02 0.00 0.00 55.36 54.38 2kuf s GLN 560 Cb 0.00 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 2kuf s GLN 560 CO 0.00 0.50 -0.14 -0.59 -2.12 0.00 0.00 175.29 172.94 2kuf s PHE 561 N -1.34 1.21 -0.05 0.91 -0.71 -0.49 -4.85 117.98 112.65 2kuf s PHE 561 Ca 0.23 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.43 2kuf s PHE 561 Cb -0.11 -0.70 -0.06 0.00 -1.21 0.00 0.00 43.02 40.94 2kuf s PHE 561 CO 0.15 0.04 1.65 0.54 -1.34 0.00 0.00 175.22 176.26 2kuf s VAL 562 N -1.02 3.58 -0.05 -2.49 0.11 -1.26 -0.70 120.40 118.57 2kuf s VAL 562 Ca 0.00 0.70 -0.27 0.00 -2.93 0.00 0.00 61.98 59.49 2kuf s VAL 562 Cb -0.09 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2kuf s VAL 562 CO 0.02 -0.06 0.85 -0.32 -3.33 0.00 0.00 175.10 172.26 2kuf s MET 563 N 4.02 4.47 0.93 1.54 1.75 -0.05 -4.90 119.30 127.05 2kuf s MET 563 Ca 0.73 1.15 -0.12 0.00 -1.25 0.00 0.00 55.69 56.21 2kuf s MET 563 Cb -0.33 -3.47 0.15 0.00 2.84 0.00 0.00 34.83 34.01 2kuf s MET 563 CO 0.30 -0.05 1.12 -1.25 -0.65 0.00 0.00 175.02 174.49 2kuf s PRO 564 N 1.10 1.02 0.15 4.11 0.04 -1.26 -0.24 135.00 139.92 2kuf s PRO 564 Ca 0.44 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2kuf s PRO 564 Cb -0.19 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2kuf s PRO 564 CO 0.22 -2.29 1.06 0.16 0.04 0.00 0.00 177.00 176.18 2kuf s ASP 565 N -3.88 7.34 -0.00 6.66 -4.77 -1.26 -4.69 116.67 116.06 2kuf s ASP 565 Ca 0.64 1.99 0.06 0.00 -3.30 0.00 0.00 52.55 51.94 2kuf s ASP 565 Cb -0.16 -2.60 -0.08 0.00 -1.09 0.00 0.00 42.92 39.00 2kuf s ASP 565 CO 0.54 -0.18 0.19 -0.11 0.70 0.00 0.00 175.17 176.32 2kuf n LEU 566 N 2.54 0.14 -4.79 2.11 -0.00 -1.26 -5.01 117.00 110.72 2kuf n LEU 566 Ca 0.03 -0.25 -0.35 0.00 -0.00 0.00 0.00 56.01 55.43 2kuf n LEU 566 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.84 2kuf n LEU 566 CO 0.53 0.03 0.69 -0.55 -0.00 0.00 0.00 177.39 178.09 2kuf s SER 567 N -2.12 6.86 0.00 1.96 0.15 -1.26 -3.88 113.70 115.41 2kuf s SER 567 Ca 0.00 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2kuf s SER 567 Cb 0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2kuf s SER 567 CO 0.24 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2kuf n GLY 568 N 0.03 0.90 3.33 9.45 0.00 -0.73 -4.97 105.19 113.20 2kuf n GLY 568 Ca 0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.77 1.40 0.41 1.61 0.00 -1.25 -4.86 119.30 115.84 2kuf s MET 569 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 55.69 53.89 2kuf s MET 569 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 34.83 34.43 2kuf s MET 569 CO 0.00 -0.25 0.69 -0.06 0.00 0.00 0.00 175.02 175.40 2kuf s PHE 570 N -3.67 3.52 0.38 3.16 0.40 -1.26 0.13 117.98 120.65 2kuf s PHE 570 Ca 0.36 0.72 0.26 0.00 -0.60 0.00 0.00 56.93 57.66 2kuf s PHE 570 Cb 0.08 -2.20 1.35 0.00 0.51 0.00 0.00 43.02 42.76 2kuf s PHE 570 CO 0.13 -0.09 2.03 2.35 0.70 0.00 0.00 175.22 180.34 2kuf h TRP 571 N 0.75 0.00 0.00 0.36 2.91 -1.93 -0.24 115.95 117.80 2kuf h TRP 571 Ca -0.48 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.48 2kuf h TRP 571 Cb 1.20 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.84 2kuf h TRP 571 CO 0.57 0.14 -0.32 -0.39 -1.03 0.00 0.00 178.44 177.41 2kuf h VAL 572 N 0.00 0.93 0.00 2.65 -1.51 -1.93 -1.43 116.25 114.96 2kuf h VAL 572 Ca -0.00 -1.24 -0.12 0.00 -1.23 0.00 0.00 66.70 64.11 2kuf h VAL 572 Cb 0.39 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.26 2kuf h VAL 572 CO 0.02 0.32 -2.03 -0.67 -1.23 0.00 0.00 177.57 173.97 2kuf n ASP 573 N -3.72 0.46 -0.09 4.19 -0.08 -0.87 -4.45 116.55 111.99 2kuf n ASP 573 Ca -0.01 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.17 2kuf n ASP 573 Cb 0.42 1.58 -0.02 0.00 2.34 0.00 0.00 41.12 45.44 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kuf h ALA 574 N 1.50 0.37 -0.08 -1.67 0.00 -0.70 -1.26 119.26 117.42 2kuf h ALA 574 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kuf h ALA 574 Cb 1.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kuf h ALA 574 CO 0.01 -0.08 0.05 1.49 0.00 0.00 0.00 179.25 180.72 2kuf h GLU 575 N 0.34 0.11 -0.72 0.00 4.22 -1.50 -0.42 114.58 116.60 2kuf h GLU 575 Ca 0.10 -0.01 0.21 0.00 0.08 0.00 0.00 59.36 59.74 2kuf h GLU 575 Cb 0.09 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2kuf h GLU 575 CO -0.01 0.09 0.53 -1.35 -2.18 0.00 0.00 179.01 176.08 2kuf h PRO 576 N 0.10 0.00 -0.81 0.92 0.11 -1.74 -0.64 132.00 129.94 2kuf h PRO 576 Ca 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2kuf h PRO 576 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 2kuf h PRO 576 CO -0.01 0.00 0.37 0.00 -0.21 0.00 0.00 178.00 178.15 2kuf h ARG 577 N 0.00 1.17 -0.09 1.05 2.47 0.15 -0.39 114.38 118.75 2kuf h ARG 577 Ca 0.34 -0.18 0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2kuf h ARG 577 Cb 1.40 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 2kuf h ARG 577 CO -0.00 0.91 0.01 -0.07 0.56 0.00 0.00 179.97 181.38 2kuf h LEU 578 N 1.16 -0.01 -0.70 3.04 4.07 -0.71 0.19 115.31 122.33 2kuf h LEU 578 Ca 0.28 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 58.15 2kuf h LEU 578 Cb 0.15 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 2kuf h LEU 578 CO -0.03 0.01 -0.10 0.08 -1.08 0.00 0.00 178.44 177.31 2kuf h ARG 579 N 0.05 0.89 -0.20 1.13 0.11 -1.45 0.90 114.38 115.80 2kuf h ARG 579 Ca 0.04 -0.31 -0.14 0.00 0.10 0.00 0.00 59.98 59.67 2kuf h ARG 579 Cb 0.04 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 2kuf h ARG 579 CO -0.06 0.95 -0.47 0.00 0.10 0.00 0.00 179.97 180.49 2kuf h ALA 580 N 1.07 0.80 -0.00 0.08 0.00 -0.75 -2.90 119.26 117.56 2kuf h ALA 580 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kuf h ALA 580 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kuf h ALA 580 CO 0.04 0.66 -0.08 -0.11 0.00 0.00 0.00 179.25 179.76 2kuf n LEU 581 N -3.99 0.09 -2.64 0.00 7.94 0.63 -4.91 117.00 114.12 2kuf n LEU 581 Ca -0.02 0.40 -0.17 0.00 -1.11 0.00 0.00 56.01 55.11 2kuf n LEU 581 Cb 0.56 -0.44 0.05 0.00 0.53 0.00 0.00 43.42 44.12 2kuf n LEU 581 CO 0.46 0.02 0.17 0.61 -1.11 0.00 0.00 177.39 177.54 2kuf n GLY 582 N 1.48 -0.10 3.70 -3.96 0.00 -0.43 -4.97 105.19 100.92 2kuf n GLY 582 Ca 0.07 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.21 3.56 0.05 1.61 -0.00 0.18 -4.95 118.94 116.18 2kuf s TRP 583 Ca 0.40 1.62 -0.15 0.00 -0.00 0.00 0.00 56.10 57.98 2kuf s TRP 583 Cb -0.18 -3.17 -0.31 0.00 -0.00 0.00 0.00 33.47 29.81 2kuf s TRP 583 CO 0.50 -0.20 1.07 1.79 -0.00 0.00 0.00 176.95 180.11 2kuf h THR 584 N 4.95 1.29 -1.10 5.86 1.35 -1.82 -3.45 112.91 120.00 2kuf h THR 584 Ca -0.36 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 2kuf h THR 584 Cb 1.18 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 2kuf h THR 584 CO 0.81 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 177.46 2kuf n GLY 585 N 1.50 -1.11 3.22 5.82 0.00 0.12 -5.04 105.19 109.70 2kuf n GLY 585 Ca -0.15 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 2kuf n GLY 585 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kuf s MET 586 N -0.60 0.98 -0.45 1.61 -1.94 -1.26 -5.01 119.30 112.62 2kuf s MET 586 Ca 0.00 -1.42 -0.29 0.00 -1.71 0.00 0.00 55.69 52.27 2kuf s MET 586 Cb 0.00 -0.40 0.03 0.00 2.01 0.00 0.00 34.83 36.47 2kuf s MET 586 CO 0.00 0.00 1.11 -1.17 -0.01 0.00 0.00 175.02 174.95 2kuf s LEU 587 N -3.12 3.71 -0.38 -0.03 2.96 -1.26 -4.36 118.68 116.21 2kuf s LEU 587 Ca 0.16 0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 54.45 2kuf s LEU 587 Cb 0.04 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2kuf s LEU 587 CO -0.01 -1.18 0.29 -0.62 -1.32 0.00 0.00 176.35 173.51 2kuf s ASP 588 N 2.32 6.10 -0.03 3.68 2.15 -1.02 -5.03 116.67 124.85 2kuf s ASP 588 Ca 0.46 -0.63 -0.21 0.00 0.43 0.00 0.00 52.55 52.61 2kuf s ASP 588 Cb -0.08 -2.16 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2kuf s ASP 588 CO 0.29 -0.36 0.60 -1.59 -0.17 0.00 0.00 175.17 173.93 2kuf s LYS 589 N 1.76 4.34 -0.07 4.34 0.00 -1.26 -0.68 119.74 128.17 2kuf s LYS 589 Ca 0.07 0.72 -0.01 0.00 0.00 0.00 0.00 55.97 56.75 2kuf s LYS 589 Cb -0.18 -3.37 -0.00 0.00 0.00 0.00 0.00 37.83 34.28 2kuf s LYS 589 CO 0.11 0.30 -0.02 0.78 0.00 0.00 0.00 175.35 176.51 2kuf h GLY 590 N 5.94 0.00 -5.11 0.59 0.00 -0.88 -3.46 103.07 100.15 2kuf h GLY 590 Ca -0.44 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.62 2kuf h GLY 590 CO 0.71 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 176.52 2kuf s ALA 591 N -2.74 0.39 -0.15 3.60 0.00 -1.26 -5.07 121.76 116.52 2kuf s ALA 591 Ca -0.02 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 2kuf s ALA 591 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2kuf s ALA 591 CO 0.02 0.01 0.49 -0.51 0.00 0.00 0.00 175.76 175.78 2kuf s ASP 592 N -0.84 6.63 -0.22 0.00 1.11 -1.26 -3.70 116.67 118.39 2kuf s ASP 592 Ca -0.05 0.75 -0.08 0.00 0.18 0.00 0.00 52.55 53.34 2kuf s ASP 592 Cb -0.06 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 2kuf s ASP 592 CO -0.00 -0.08 0.10 -0.69 1.18 0.00 0.00 175.17 175.68 2kuf s VAL 593 N 1.08 4.87 -0.43 -1.27 1.01 -0.64 -4.89 120.40 120.13 2kuf s VAL 593 Ca 0.25 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2kuf s VAL 593 Cb -0.15 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2kuf s VAL 593 CO 0.10 0.39 1.59 -1.81 0.00 0.00 0.00 175.10 175.37 2kuf s ASP 594 N 0.94 6.03 0.06 3.32 1.11 -1.26 0.47 116.67 127.34 2kuf s ASP 594 Ca 0.05 0.84 0.00 0.00 0.18 0.00 0.00 52.55 53.62 2kuf s ASP 594 Cb -0.14 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.32 2kuf s ASP 594 CO 0.03 -1.68 0.00 0.00 1.18 0.00 0.00 175.17 174.70 2kuf n ALA 595 N 9.88 3.00 0.00 5.23 0.00 -1.26 -4.88 120.51 132.48 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 0.48 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 2.92 2.43 0.35 0.00 0.00 -1.25 -4.62 105.19 105.02 2kuf n GLY 596 Ca 0.00 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 0.48 2.00 -0.02 0.00 -1.94 -1.32 103.07 102.27 2kuf h GLY 597 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2kuf h GLY 597 CO 0.00 0.09 -0.17 1.76 0.00 0.00 0.00 176.54 178.22 2kuf h SER 598 N 0.35 0.00 0.09 0.19 0.02 -1.96 -1.43 113.55 110.82 2kuf h SER 598 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2kuf h SER 598 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kuf h SER 598 CO -0.06 0.17 -0.08 0.00 -1.14 0.00 0.00 176.83 175.72 2kuf n GLN 599 N -3.48 1.28 -0.90 3.45 1.13 -0.50 -5.01 117.38 113.36 2kuf n GLN 599 Ca -0.01 -0.68 0.00 0.00 -1.94 0.00 0.00 57.00 54.38 2kuf n GLN 599 Cb 0.34 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.20 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 -0.27 -1.43 -1.61 1.08 8.25 -0.54 -4.81 115.22 115.89 2kuf n HIS 600 Ca 0.17 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 58.08 2kuf n HIS 600 Cb 0.32 -2.45 -0.02 0.00 1.12 0.00 0.00 29.99 28.97 2kuf n HIS 600 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kuf n ASN 601 N 0.46 7.11 -4.95 0.41 4.13 -1.26 -4.72 115.26 116.43 2kuf n ASN 601 Ca 0.00 -2.77 -0.23 0.00 1.68 0.00 0.00 54.58 53.26 2kuf n ASN 601 Cb 0.00 -1.55 -0.01 0.00 -1.54 0.00 0.00 39.78 36.68 2kuf n ASN 601 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kuf s ARG 602 N 1.76 3.43 0.10 3.52 1.70 -1.26 -3.65 118.95 124.56 2kuf s ARG 602 Ca 0.59 -0.45 -0.31 0.00 -0.47 0.00 0.00 55.73 55.09 2kuf s ARG 602 Cb 0.16 -2.70 -0.07 0.00 -0.57 0.00 0.00 34.95 31.77 2kuf s ARG 602 CO -0.07 0.17 1.31 0.08 -1.08 0.00 0.00 175.30 175.71 2kuf s VAL 603 N -2.27 3.58 -0.15 4.99 1.01 0.12 -0.84 120.40 126.84 2kuf s VAL 603 Ca 0.40 1.15 0.16 0.00 0.00 0.00 0.00 61.98 63.68 2kuf s VAL 603 Cb -0.09 -3.73 -0.23 0.00 0.00 0.00 0.00 36.38 32.32 2kuf s VAL 603 CO 0.35 0.10 0.11 1.33 0.00 0.00 0.00 175.10 176.98 2kuf n VAL 604 N 3.83 1.03 -3.66 2.92 0.24 -0.42 -1.78 118.33 120.50 2kuf n VAL 604 Ca 0.10 -0.70 -0.11 0.00 -2.04 0.00 0.00 64.34 61.59 2kuf n VAL 604 Cb 0.44 -0.45 -0.08 0.00 -1.47 0.00 0.00 33.84 32.28 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2kuf s TYR 605 N -2.55 -0.77 -0.15 6.34 5.04 -1.05 -4.91 117.35 119.30 2kuf s TYR 605 Ca -0.08 1.73 -0.02 0.00 -2.44 0.00 0.00 57.07 56.26 2kuf s TYR 605 Cb 0.06 0.35 -0.02 0.00 0.35 0.00 0.00 41.96 42.70 2kuf s TYR 605 CO 0.73 -0.38 -0.08 1.14 -1.34 0.00 0.00 175.55 175.61 2kuf s GLN 606 N 0.84 3.51 0.10 4.97 -2.07 -1.26 -0.60 119.66 125.16 2kuf s GLN 606 Ca -0.04 -0.60 -0.25 0.00 -1.82 0.00 0.00 55.36 52.64 2kuf s GLN 606 Cb -0.05 -2.80 -0.11 0.00 -1.09 0.00 0.00 33.01 28.96 2kuf s GLN 606 CO -0.07 0.19 1.68 -0.97 -1.32 0.00 0.00 175.29 174.80 2kuf h ASN 607 N 6.84 -0.38 -3.27 12.60 -1.24 -1.73 -3.38 115.58 125.02 2kuf h ASN 607 Ca -0.30 0.04 -0.58 0.00 0.71 0.00 0.00 56.30 56.18 2kuf h ASN 607 Cb 1.20 0.14 -0.07 0.00 0.73 0.00 0.00 38.32 40.32 2kuf h ASN 607 CO 0.59 -0.21 0.46 -2.84 -1.29 0.00 0.00 177.43 174.15 2kuf s PRO 608 N -6.14 4.28 0.66 6.67 0.02 -1.26 -5.05 135.00 134.19 2kuf s PRO 608 Ca -0.15 1.07 -0.14 0.00 0.02 0.00 0.00 61.00 61.80 2kuf s PRO 608 Cb 0.07 -3.59 -0.00 0.00 0.02 0.00 0.00 34.50 31.00 2kuf s PRO 608 CO 0.66 -0.39 1.09 -1.25 -0.33 0.00 0.00 177.00 176.78 2kuf s PRO 609 N 2.38 2.86 0.35 5.54 0.04 -1.26 -4.99 135.00 139.91 2kuf s PRO 609 Ca 0.39 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 2kuf s PRO 609 Cb -0.16 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 2kuf s PRO 609 CO 0.11 -1.19 1.48 0.00 0.04 0.00 0.00 177.00 177.44 2kuf s ALA 610 N -2.47 3.60 0.00 8.56 0.00 -1.26 -2.43 121.76 127.76 2kuf s ALA 610 Ca 0.65 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.13 2kuf s ALA 610 Cb -0.19 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2kuf s ALA 610 CO 0.43 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2kuf n GLY 611 N 0.95 0.76 3.79 0.00 0.00 0.66 -4.97 105.19 106.37 2kuf n GLY 611 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.13 4.37 -0.38 2.61 2.01 -1.02 -4.67 115.64 116.43 2kuf s THR 612 Ca 0.00 1.64 -0.29 0.00 0.31 0.00 0.00 61.69 63.35 2kuf s THR 612 Cb 0.00 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.47 2kuf s THR 612 CO 0.00 0.37 1.12 -0.83 -0.69 0.00 0.00 174.62 174.59 2kuf s GLY 613 N -1.37 1.44 -0.06 4.40 0.00 -1.26 -0.87 107.32 109.60 2kuf s GLY 613 Ca 0.41 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.89 2kuf s GLY 613 CO 0.25 2.35 0.12 -1.34 0.00 0.00 0.00 173.10 174.48 2kuf s VAL 614 N 4.02 5.14 1.03 1.40 -7.23 0.12 -4.78 120.40 120.10 2kuf s VAL 614 Ca 0.47 -0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.39 2kuf s VAL 614 Cb -0.11 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.58 2kuf s VAL 614 CO 0.22 0.49 -0.01 -0.46 -0.31 0.00 0.00 175.10 175.03 2kuf n ASN 615 N 1.58 -2.62 -0.16 4.85 6.94 -1.26 -1.40 115.26 123.19 2kuf n ASN 615 Ca -0.16 0.10 0.29 0.00 -0.02 0.00 0.00 54.58 54.79 2kuf n ASN 615 Cb 0.54 -1.01 0.70 0.00 -2.36 0.00 0.00 39.78 37.65 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 -1.69 0.00 -0.01 -3.83 0.11 -1.77 0.57 114.38 107.77 2kuf h ARG 616 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2kuf h ARG 616 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2kuf h ARG 616 CO 0.34 0.00 -0.61 -0.40 0.10 0.00 0.00 179.97 179.40 2kuf n ASP 617 N -3.89 1.37 -0.81 0.08 5.75 -1.26 -4.63 116.55 113.16 2kuf n ASP 617 Ca 0.19 -1.10 -0.11 0.00 -0.01 0.00 0.00 54.79 53.76 2kuf n ASP 617 Cb 1.06 0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 41.67 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kuf n GLY 618 N 1.44 1.12 3.65 6.12 0.00 0.20 -0.70 105.19 117.03 2kuf n GLY 618 Ca 0.08 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.19 3.78 -0.04 -0.61 -1.16 -1.26 -4.90 121.20 114.81 2kuf s ILE 619 Ca 0.00 0.93 0.03 0.00 -0.51 0.00 0.00 60.65 61.10 2kuf s ILE 619 Cb 0.00 -3.63 0.00 0.00 0.61 0.00 0.00 42.46 39.44 2kuf s ILE 619 CO 0.00 -0.12 -0.12 0.27 -2.81 0.00 0.00 174.94 172.15 2kuf s ILE 620 N 4.11 1.08 -0.19 2.00 -5.25 -1.26 -4.98 121.20 116.72 2kuf s ILE 620 Ca 0.68 -0.50 -0.11 0.00 -0.99 0.00 0.00 60.65 59.73 2kuf s ILE 620 Cb -0.29 -0.95 -0.05 0.00 2.95 0.00 0.00 42.46 44.12 2kuf s ILE 620 CO 0.26 0.33 0.17 0.28 -1.79 0.00 0.00 174.94 174.19 2kuf s THR 621 N 0.28 5.39 0.17 8.37 -1.32 -1.26 -2.44 115.64 124.83 2kuf s THR 621 Ca -0.06 0.28 -0.01 0.00 -1.21 0.00 0.00 61.69 60.69 2kuf s THR 621 Cb -0.11 -3.51 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 2kuf s THR 621 CO 0.02 0.43 0.09 -1.48 -2.21 0.00 0.00 174.62 171.48 2kuf s LEU 622 N 0.33 1.46 -0.01 9.08 2.34 0.14 -1.79 118.68 130.24 2kuf s LEU 622 Ca 0.10 -1.31 0.05 0.00 0.06 0.00 0.00 54.13 53.04 2kuf s LEU 622 Cb -0.12 0.32 -0.01 0.00 -0.56 0.00 0.00 46.19 45.82 2kuf s LEU 622 CO -0.00 -0.78 -0.17 0.00 -1.06 0.00 0.00 176.35 174.34 2kuf s ARG 623 N -4.10 1.34 0.14 1.48 1.70 0.23 -0.12 118.95 119.62 2kuf s ARG 623 Ca 0.32 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.94 2kuf s ARG 623 Cb 0.07 -1.31 -0.04 0.00 -0.57 0.00 0.00 34.95 33.10 2kuf s ARG 623 CO 0.08 0.36 0.06 -0.59 -1.08 0.00 0.00 175.30 174.12 2kuf s PHE 624 N -0.45 0.94 0.24 5.89 -0.71 -1.24 -1.30 117.98 121.35 2kuf s PHE 624 Ca 0.06 -1.22 -0.30 0.00 -1.04 0.00 0.00 56.93 54.43 2kuf s PHE 624 Cb -0.07 -0.52 -0.09 0.00 -1.21 0.00 0.00 43.02 41.13 2kuf s PHE 624 CO -0.00 -0.49 0.98 0.20 -1.34 0.00 0.00 175.22 174.57 2kuf s GLY 625 N -3.08 3.09 0.00 1.99 0.00 -0.02 -1.63 107.32 107.68 2kuf s GLY 625 Ca 0.26 0.68 0.17 0.00 0.00 0.00 0.00 44.72 45.83 2kuf s GLY 625 CO 0.03 1.29 1.03 -0.18 0.00 0.00 0.00 173.10 175.28