#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 3.62 0.00 1.61 0.04 -1.26 -3.62 135.00 135.39 2kuf s PRO 492 Ca 0.00 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2kuf s PRO 492 Cb 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2kuf s PRO 492 CO 0.00 -0.61 0.00 0.00 0.04 0.00 0.00 177.00 176.43 2kuf n ALA 493 N -1.04 0.00 -2.85 8.56 0.00 -1.26 -4.90 120.51 119.02 2kuf n ALA 493 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 2kuf n ALA 493 Cb 0.51 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 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 0.20 -0.06 0.00 -4.23 -1.24 -0.35 115.64 108.81 2kuf s THR 494 Ca 0.00 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2kuf s THR 494 Cb 0.00 -0.18 -0.00 0.00 1.34 0.00 0.00 72.50 73.65 2kuf s THR 494 CO 0.00 0.06 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.40 2kuf s LYS 495 N -0.02 2.23 -0.18 3.99 -0.14 0.14 -4.49 119.74 121.28 2kuf s LYS 495 Ca 0.01 -0.73 -0.14 0.00 -1.36 0.00 0.00 55.97 53.74 2kuf s LYS 495 Cb -0.02 -1.86 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 2kuf s LYS 495 CO -0.00 0.26 0.32 0.16 -0.76 0.00 0.00 175.35 175.33 2kuf s ASP 496 N 0.07 6.41 -0.23 2.83 -4.77 -1.26 -0.27 116.67 119.46 2kuf s ASP 496 Ca -0.07 0.48 -0.07 0.00 -3.30 0.00 0.00 52.55 49.59 2kuf s ASP 496 Cb -0.14 -2.20 -0.03 0.00 -1.09 0.00 0.00 42.92 39.47 2kuf s ASP 496 CO 0.04 0.03 0.05 0.27 0.70 0.00 0.00 175.17 176.26 2kuf s ILE 497 N 0.85 4.32 0.65 2.11 -4.36 -1.05 -4.97 121.20 118.75 2kuf s ILE 497 Ca 0.17 -0.18 -0.11 0.00 -0.26 0.00 0.00 60.65 60.27 2kuf s ILE 497 Cb -0.14 -2.99 0.16 0.00 1.25 0.00 0.00 42.46 40.74 2kuf s ILE 497 CO 0.06 0.38 0.64 -2.65 0.24 0.00 0.00 174.94 173.61 2kuf n PRO 498 N 4.52 -1.82 -2.55 0.37 -0.02 -1.26 0.23 135.00 134.47 2kuf n PRO 498 Ca -0.16 -1.02 -0.41 0.00 -2.02 0.00 0.00 63.50 59.89 2kuf n PRO 498 Cb 0.52 -0.87 -0.03 0.00 -0.02 0.00 0.00 33.50 33.09 2kuf n PRO 498 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2kuf s ASP 499 N -3.29 6.46 0.04 2.55 -4.77 -1.26 -4.36 116.67 112.04 2kuf s ASP 499 Ca 0.40 -1.43 0.28 0.00 -3.30 0.00 0.00 52.55 48.50 2kuf s ASP 499 Cb -0.03 -2.57 1.06 0.00 -1.09 0.00 0.00 42.92 40.29 2kuf s ASP 499 CO 0.30 -1.54 1.83 1.33 0.70 0.00 0.00 175.17 177.79 2kuf n VAL 500 N 6.92 0.12 -1.93 2.11 0.24 -1.26 -4.73 118.33 119.79 2kuf n VAL 500 Ca 0.33 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.34 62.18 2kuf n VAL 500 Cb 0.51 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.42 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 -3.02 2.30 0.00 2.33 0.00 -1.26 -2.73 121.76 119.37 2kuf s ALA 501 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2kuf s ALA 501 Cb 0.17 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2kuf s ALA 501 CO 0.57 -3.60 0.00 0.41 0.00 0.00 0.00 175.76 173.14 2kuf n GLY 502 N 5.67 1.29 0.00 0.00 0.00 -0.60 -4.94 105.19 106.61 2kuf n GLY 502 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.77 -1.90 1.61 10.64 -1.10 -4.74 117.38 122.64 2kuf n GLN 503 Ca 0.00 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.85 2kuf n GLN 503 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 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 0.49 3.83 0.14 -0.39 2.01 -1.26 -1.76 115.64 118.71 2kuf s THR 504 Ca 0.00 0.79 -0.17 0.00 0.31 0.00 0.00 61.69 62.62 2kuf s THR 504 Cb 0.00 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 2kuf s THR 504 CO 0.00 -0.58 1.76 1.62 -0.69 0.00 0.00 174.62 176.73 2kuf h VAL 505 N 0.11 0.95 -0.45 3.82 3.04 -1.21 0.24 116.25 122.75 2kuf h VAL 505 Ca -0.46 -0.09 -0.07 0.00 -1.01 0.00 0.00 66.70 65.06 2kuf h VAL 505 Cb 1.22 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 2kuf h VAL 505 CO 0.57 0.05 -0.02 -0.78 -1.01 0.00 0.00 177.57 176.38 2kuf h ASP 506 N 0.27 0.72 -0.42 3.17 3.58 -1.93 0.11 116.42 121.93 2kuf h ASP 506 Ca 0.13 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 2kuf h ASP 506 Cb 0.08 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2kuf h ASP 506 CO -0.12 0.80 -0.14 0.58 -2.88 0.00 0.00 179.24 177.49 2kuf h VAL 507 N 0.70 1.28 -0.32 2.25 2.07 -1.81 0.14 116.25 120.56 2kuf h VAL 507 Ca 0.14 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2kuf h VAL 507 Cb 0.46 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2kuf h VAL 507 CO 0.02 0.42 0.04 0.00 0.02 0.00 0.00 177.57 178.08 2kuf h ALA 508 N 0.84 0.42 -0.32 1.67 0.00 -0.00 0.07 119.26 121.94 2kuf h ALA 508 Ca 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kuf h ALA 508 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kuf h ALA 508 CO 0.05 0.13 0.10 1.96 0.00 0.00 0.00 179.25 181.49 2kuf h GLN 509 N 0.35 0.50 -0.51 0.00 4.20 -0.58 -0.66 115.11 118.41 2kuf h GLN 509 Ca 0.10 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 2kuf h GLN 509 Cb 0.37 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2kuf h GLN 509 CO 0.01 0.54 -0.14 1.57 -0.67 0.00 0.00 178.83 180.14 2kuf h LYS 510 N 0.36 0.98 -0.26 1.46 2.10 -0.68 -0.54 116.57 119.99 2kuf h LYS 510 Ca 0.10 -0.37 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 2kuf h LYS 510 Cb 0.24 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2kuf h LYS 510 CO -0.00 1.04 0.12 -0.91 -2.00 0.00 0.00 179.45 177.70 2kuf h ASN 511 N 0.86 0.35 -0.10 7.07 2.35 -0.70 -1.13 115.58 124.29 2kuf h ASN 511 Ca 0.13 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2kuf h ASN 511 Cb 0.70 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2kuf h ASN 511 CO 0.05 0.39 -0.32 0.17 -1.65 0.00 0.00 177.43 176.07 2kuf h LEU 512 N 0.29 0.60 -1.15 1.61 8.10 -0.99 -2.56 115.31 121.21 2kuf h LEU 512 Ca 0.09 -0.24 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 2kuf h LEU 512 Cb 0.14 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.17 2kuf h LEU 512 CO -0.01 0.88 0.12 -1.13 -4.11 0.00 0.00 178.44 174.19 2kuf h ASN 513 N 0.49 0.66 -0.06 0.17 -0.00 -0.77 0.28 115.58 116.35 2kuf h ASN 513 Ca 0.06 -0.11 -0.04 0.00 -0.00 0.00 0.00 56.30 56.21 2kuf h ASN 513 Cb 0.80 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.93 2kuf h ASN 513 CO 0.07 0.66 -0.06 0.58 -0.00 0.00 0.00 177.43 178.67 2kuf h VAL 514 N 0.70 1.16 -0.24 2.57 2.07 -0.79 0.35 116.25 122.06 2kuf h VAL 514 Ca 0.16 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2kuf h VAL 514 Cb 0.25 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2kuf h VAL 514 CO -0.00 0.21 0.00 -1.22 0.02 0.00 0.00 177.57 176.58 2kuf n TYR 515 N -4.32 0.30 0.06 1.57 4.01 -0.71 -4.73 117.16 113.34 2kuf n TYR 515 Ca -0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2kuf n TYR 515 Cb 0.23 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 1.20 -0.13 2.41 2.72 0.00 0.91 -4.75 105.19 107.55 2kuf n GLY 516 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.06 -0.06 -1.58 1.61 3.72 0.12 -4.98 117.46 113.22 2kuf n PHE 517 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 2kuf n PHE 517 Cb 0.06 -2.63 0.10 0.00 -0.94 0.00 0.00 39.48 36.08 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 -2.69 0.00 -4.42 4.37 -2.24 -1.26 -5.06 114.28 102.97 2kuf n THR 518 Ca -0.15 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 2kuf n THR 518 Cb 0.49 -1.68 -0.10 0.00 -2.10 0.00 0.00 70.33 66.95 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 -4.36 3.01 0.10 -0.78 3.01 -1.25 -4.92 119.74 114.55 2kuf s LYS 519 Ca 0.37 -0.44 0.05 0.00 -1.01 0.00 0.00 55.97 54.94 2kuf s LYS 519 Cb -0.01 -2.77 -0.03 0.00 -1.01 0.00 0.00 37.83 34.00 2kuf s LYS 519 CO 0.26 0.65 -0.14 -0.59 0.51 0.00 0.00 175.35 176.04 2kuf s PHE 520 N -0.75 1.31 0.00 3.18 -0.12 -1.26 -0.17 117.98 120.18 2kuf s PHE 520 Ca 0.12 -0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 56.47 2kuf s PHE 520 Cb -0.11 -0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 41.56 2kuf s PHE 520 CO 0.02 0.10 0.02 -1.54 -0.05 0.00 0.00 175.22 173.77 2kuf s SER 521 N -2.13 0.08 -0.06 1.98 1.04 -0.22 -4.90 113.70 109.48 2kuf s SER 521 Ca 0.04 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.34 2kuf s SER 521 Cb -0.07 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 2kuf s SER 521 CO 0.02 -0.15 -0.21 0.00 0.98 0.00 0.00 173.24 173.88 2kuf s GLN 522 N -0.67 2.57 -0.05 4.02 -2.07 -1.26 -0.15 119.66 122.04 2kuf s GLN 522 Ca -0.07 -0.83 0.02 0.00 -1.82 0.00 0.00 55.36 52.65 2kuf s GLN 522 Cb -0.05 -2.26 0.02 0.00 -1.09 0.00 0.00 33.01 29.64 2kuf s GLN 522 CO -0.00 0.46 -0.07 0.00 -1.32 0.00 0.00 175.29 174.35 2kuf s ALA 523 N -0.33 0.89 -0.16 2.60 0.00 -0.35 -4.95 121.76 119.47 2kuf s ALA 523 Ca 0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 2kuf s ALA 523 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 2kuf s ALA 523 CO 0.02 0.04 0.15 0.45 0.00 0.00 0.00 175.76 176.42 2kuf s SER 524 N 0.81 6.32 0.05 0.00 0.15 -1.26 -0.07 113.70 119.70 2kuf s SER 524 Ca -0.13 0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.92 2kuf s SER 524 Cb -0.15 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 2kuf s SER 524 CO 0.02 0.29 -0.09 0.54 1.20 0.00 0.00 173.24 175.20 2kuf s VAL 525 N -0.34 0.64 0.10 4.45 0.11 0.75 -4.93 120.40 121.18 2kuf s VAL 525 Ca 0.12 -1.20 -0.27 0.00 -2.93 0.00 0.00 61.98 57.70 2kuf s VAL 525 Cb -0.12 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 33.89 2kuf s VAL 525 CO 0.01 -0.41 0.84 1.51 -3.33 0.00 0.00 175.10 173.73 2kuf s ASP 526 N -1.75 7.36 0.07 3.54 -4.77 -1.26 -0.22 116.67 119.64 2kuf s ASP 526 Ca -0.07 1.62 -0.26 0.00 -3.30 0.00 0.00 52.55 50.54 2kuf s ASP 526 Cb -0.09 -2.52 0.09 0.00 -1.09 0.00 0.00 42.92 39.31 2kuf s ASP 526 CO 0.00 0.02 0.77 -0.44 0.70 0.00 0.00 175.17 176.23 2kuf s SER 527 N -0.26 -0.44 0.00 2.11 0.01 -0.40 -4.88 113.70 109.84 2kuf s SER 527 Ca 0.41 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.73 2kuf s SER 527 Cb -0.22 0.48 0.34 0.00 0.21 0.00 0.00 66.02 66.83 2kuf s SER 527 CO 0.26 -0.77 1.02 -2.65 0.41 0.00 0.00 173.24 171.51 2kuf n PRO 528 N -0.30 0.12 -2.25 12.44 -0.02 -1.26 -3.78 135.00 139.94 2kuf n PRO 528 Ca -0.12 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 2kuf n PRO 528 Cb 0.63 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 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 -2.46 4.36 0.58 -0.52 3.00 -1.26 -4.90 118.95 117.75 2kuf s ARG 529 Ca 0.07 1.98 -0.20 0.00 0.00 0.00 0.00 55.73 57.58 2kuf s ARG 529 Cb 0.04 -3.28 -0.04 0.00 0.00 0.00 0.00 34.95 31.67 2kuf s ARG 529 CO 0.10 -0.38 1.19 -2.30 0.00 0.00 0.00 175.30 173.91 2kuf n PRO 530 N 3.92 1.26 -1.57 3.54 -0.02 -1.26 -2.55 135.00 138.31 2kuf n PRO 530 Ca 0.11 0.48 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 2kuf n PRO 530 Cb 0.44 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf n ALA 531 N -1.45 1.52 0.00 3.55 0.00 -1.23 -1.28 120.51 121.62 2kuf n ALA 531 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kuf n ALA 531 Cb 0.46 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 5.78 1.76 3.71 0.00 0.00 -0.70 -4.91 105.19 110.83 2kuf n GLY 532 Ca 0.32 0.00 -0.41 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 4.49 -0.34 1.61 2.12 -0.41 -0.64 118.70 125.54 2kuf s GLU 533 Ca 0.00 1.20 -0.23 0.00 0.36 0.00 0.00 54.97 56.30 2kuf s GLU 533 Cb 0.00 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.93 2kuf s GLU 533 CO 0.00 -0.04 0.77 0.54 -0.54 0.00 0.00 175.26 176.00 2kuf s VAL 534 N 1.04 4.76 0.36 3.70 0.11 -0.72 -0.95 120.40 128.70 2kuf s VAL 534 Ca 0.46 0.96 0.09 0.00 -2.93 0.00 0.00 61.98 60.56 2kuf s VAL 534 Cb -0.19 -4.18 0.11 0.00 -1.53 0.00 0.00 36.38 30.59 2kuf s VAL 534 CO 0.23 -0.36 1.83 0.74 -3.33 0.00 0.00 175.10 174.21 2kuf h THR 535 N 5.70 1.23 0.00 5.04 2.02 -1.54 -1.59 112.91 123.78 2kuf h THR 535 Ca -0.25 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 65.83 2kuf h THR 535 Cb 1.10 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2kuf h THR 535 CO 0.90 0.33 0.00 0.61 0.37 0.00 0.00 175.52 177.73 2kuf n GLY 536 N -0.59 -1.92 3.51 2.16 0.00 -1.23 -4.72 105.19 102.41 2kuf n GLY 536 Ca -0.01 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.54 2.88 0.11 2.61 -4.23 -1.26 -0.25 115.64 112.96 2kuf s THR 537 Ca 0.00 -1.72 -0.20 0.00 -1.18 0.00 0.00 61.69 58.60 2kuf s THR 537 Cb 0.00 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 2kuf s THR 537 CO 0.00 -0.06 1.69 -1.13 -0.54 0.00 0.00 174.62 174.59 2kuf h ASN 538 N 3.20 0.27 -2.65 3.99 -0.73 -1.00 -3.36 115.58 115.30 2kuf h ASN 538 Ca -0.47 -0.10 -0.55 0.00 1.87 0.00 0.00 56.30 57.05 2kuf h ASN 538 Cb 1.20 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.71 2kuf h ASN 538 CO 0.50 0.30 1.06 -2.84 -0.37 0.00 0.00 177.43 176.08 2kuf s PRO 539 N -5.81 4.19 0.43 6.67 0.02 -1.26 -4.96 135.00 134.29 2kuf s PRO 539 Ca -0.13 2.13 -0.25 0.00 0.02 0.00 0.00 61.00 62.77 2kuf s PRO 539 Cb 0.08 -3.94 -0.09 0.00 0.02 0.00 0.00 34.50 30.57 2kuf s PRO 539 CO 0.70 -0.82 1.35 -2.30 -0.33 0.00 0.00 177.00 175.60 2kuf n PRO 540 N 6.98 2.09 -1.80 5.54 -0.02 -1.26 -4.92 135.00 141.62 2kuf n PRO 540 Ca 0.17 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 2kuf n PRO 540 Cb 0.43 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 541 N -1.19 3.88 0.00 3.55 0.00 -1.26 -1.87 121.76 124.87 2kuf s ALA 541 Ca 0.61 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.08 2kuf s ALA 541 Cb -0.48 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2kuf s ALA 541 CO 0.58 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2kuf n GLY 542 N 3.91 0.37 3.78 0.00 0.00 0.13 -4.88 105.19 108.51 2kuf n GLY 542 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 4.85 -0.16 2.61 2.01 -0.78 -4.83 115.64 117.34 2kuf s THR 543 Ca 0.00 1.21 -0.21 0.00 0.31 0.00 0.00 61.69 62.99 2kuf s THR 543 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2kuf s THR 543 CO 0.00 0.48 0.64 0.28 -0.69 0.00 0.00 174.62 175.33 2kuf s THR 544 N -0.59 5.03 0.24 -0.82 -1.32 -1.26 -2.52 115.64 114.41 2kuf s THR 544 Ca 0.30 1.23 0.10 0.00 -1.21 0.00 0.00 61.69 62.11 2kuf s THR 544 Cb -0.19 -3.96 -0.05 0.00 -1.51 0.00 0.00 72.50 66.80 2kuf s THR 544 CO 0.18 0.15 -0.18 0.68 -2.21 0.00 0.00 174.62 173.24 2kuf s VAL 545 N 1.59 2.15 0.33 5.08 -7.23 0.63 -4.89 120.40 118.06 2kuf s VAL 545 Ca 0.31 -2.31 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 2kuf s VAL 545 Cb -0.16 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 2kuf s VAL 545 CO 0.12 -0.48 1.31 -2.84 -0.31 0.00 0.00 175.10 172.90 2kuf s PRO 546 N -3.53 4.36 0.64 4.82 0.02 -1.26 0.25 135.00 140.29 2kuf s PRO 546 Ca 0.26 2.22 0.41 0.00 0.02 0.00 0.00 61.00 63.91 2kuf s PRO 546 Cb -0.03 -3.07 2.23 0.00 0.02 0.00 0.00 34.50 33.64 2kuf s PRO 546 CO 0.11 -0.19 2.31 -0.24 -0.33 0.00 0.00 177.00 178.67 2kuf h VAL 547 N 3.04 0.09 0.00 3.83 3.04 -1.02 -0.79 116.25 124.44 2kuf h VAL 547 Ca -0.49 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2kuf h VAL 547 Cb 1.23 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2kuf h VAL 547 CO 0.66 0.01 0.00 -0.78 -1.01 0.00 0.00 177.57 176.44 2kuf h ASP 548 N 0.00 0.00 -3.81 3.17 3.58 -1.90 -3.42 116.42 114.03 2kuf h ASP 548 Ca -0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2kuf h ASP 548 Cb 0.06 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.23 2kuf h ASP 548 CO 0.00 0.00 0.32 -0.94 -2.88 0.00 0.00 179.24 175.74 2kuf s SER 549 N -5.80 4.06 -0.07 2.28 1.04 -0.30 -4.94 113.70 109.97 2kuf s SER 549 Ca 0.06 0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.86 2kuf s SER 549 Cb 0.07 -0.70 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 2kuf s SER 549 CO 0.63 -2.11 -0.13 0.54 0.98 0.00 0.00 173.24 173.14 2kuf s VAL 550 N -3.54 3.17 -0.32 5.02 0.11 -1.26 -3.83 120.40 119.75 2kuf s VAL 550 Ca 0.66 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 2kuf s VAL 550 Cb -0.07 -2.27 -0.01 0.00 -1.53 0.00 0.00 36.38 32.50 2kuf s VAL 550 CO 0.49 0.58 0.16 -0.63 -3.33 0.00 0.00 175.10 172.37 2kuf s ILE 551 N -0.52 4.66 -0.19 7.04 1.01 0.76 -4.86 121.20 129.10 2kuf s ILE 551 Ca 0.07 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 2kuf s ILE 551 Cb -0.12 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2kuf s ILE 551 CO 0.02 0.05 0.07 -1.83 0.00 0.00 0.00 174.94 173.24 2kuf s GLU 552 N 1.62 3.96 -0.21 2.79 -1.05 -1.26 -1.06 118.70 123.50 2kuf s GLU 552 Ca 0.05 -0.35 -0.12 0.00 -0.15 0.00 0.00 54.97 54.39 2kuf s GLU 552 Cb -0.17 -3.23 -0.05 0.00 -0.44 0.00 0.00 34.13 30.24 2kuf s GLU 552 CO 0.07 0.24 0.24 -0.51 0.95 0.00 0.00 175.26 176.25 2kuf s LEU 553 N 0.46 4.17 -0.41 1.83 1.02 0.79 -0.25 118.68 126.29 2kuf s LEU 553 Ca 0.03 0.31 -0.23 0.00 0.02 0.00 0.00 54.13 54.27 2kuf s LEU 553 Cb -0.13 -2.26 0.02 0.00 0.02 0.00 0.00 46.19 43.84 2kuf s LEU 553 CO 0.01 0.05 0.78 -1.10 0.02 0.00 0.00 176.35 176.11 2kuf s GLN 554 N 0.89 3.55 -0.15 1.70 1.11 0.65 -1.21 119.66 126.21 2kuf s GLN 554 Ca 0.12 0.06 -0.12 0.00 0.01 0.00 0.00 55.36 55.44 2kuf s GLN 554 Cb -0.13 -3.88 -0.05 0.00 -1.01 0.00 0.00 33.01 27.94 2kuf s GLN 554 CO 0.04 -1.00 0.24 0.08 0.01 0.00 0.00 175.29 174.66 2kuf s VAL 555 N 3.19 5.34 -0.10 1.09 1.01 0.90 -1.30 120.40 130.53 2kuf s VAL 555 Ca 0.30 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.57 2kuf s VAL 555 Cb -0.13 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2kuf s VAL 555 CO 0.20 0.46 0.35 -0.44 0.00 0.00 0.00 175.10 175.67 2kuf s SER 556 N 0.04 6.60 -0.14 3.32 0.01 -0.13 -0.18 113.70 123.22 2kuf s SER 556 Ca 0.15 0.71 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 2kuf s SER 556 Cb -0.13 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2kuf s SER 556 CO 0.03 0.18 0.22 -1.59 0.41 0.00 0.00 173.24 172.49 2kuf s LYS 557 N -0.11 3.98 0.62 12.44 -2.85 0.70 -1.72 119.74 132.80 2kuf s LYS 557 Ca 0.21 -0.02 0.30 0.00 -1.00 0.00 0.00 55.97 55.46 2kuf s LYS 557 Cb -0.14 -3.34 1.64 0.00 -2.06 0.00 0.00 37.83 33.93 2kuf s LYS 557 CO 0.08 0.45 1.99 0.78 0.10 0.00 0.00 175.35 178.75 2kuf h GLY 558 N 5.99 0.00 0.00 0.59 0.00 -1.59 -1.05 103.07 107.01 2kuf h GLY 558 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2kuf h GLY 558 CO 0.69 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.22 2kuf n ASN 559 N -3.39 0.00 -4.72 0.19 2.85 -1.25 -4.24 115.26 104.70 2kuf n ASN 559 Ca 0.02 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.26 2kuf n ASN 559 Cb 0.44 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.39 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 2.48 0.06 1.20 -0.21 -1.26 -0.82 119.66 121.07 2kuf s GLN 560 Ca 0.00 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.03 2kuf s GLN 560 Cb 0.00 -2.27 -0.03 0.00 1.00 0.00 0.00 33.01 31.71 2kuf s GLN 560 CO 0.00 0.30 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.83 2kuf s PHE 561 N -2.31 0.63 -0.13 0.91 -0.71 -0.81 -4.88 117.98 110.69 2kuf s PHE 561 Ca 0.34 -0.77 -0.29 0.00 -1.04 0.00 0.00 56.93 55.17 2kuf s PHE 561 Cb -0.06 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 2kuf s PHE 561 CO 0.22 -0.19 1.53 0.54 -1.34 0.00 0.00 175.22 175.98 2kuf s VAL 562 N -2.68 3.82 -0.09 -2.49 0.11 -1.26 -1.62 120.40 116.18 2kuf s VAL 562 Ca -0.00 0.97 -0.24 0.00 -2.93 0.00 0.00 61.98 59.78 2kuf s VAL 562 Cb -0.01 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 2kuf s VAL 562 CO -0.04 -0.15 0.74 -0.32 -3.33 0.00 0.00 175.10 172.00 2kuf s MET 563 N 4.04 4.41 1.06 1.54 1.75 -0.48 -4.92 119.30 126.70 2kuf s MET 563 Ca 0.67 0.93 -0.13 0.00 -1.25 0.00 0.00 55.69 55.92 2kuf s MET 563 Cb -0.28 -3.48 0.22 0.00 2.84 0.00 0.00 34.83 34.14 2kuf s MET 563 CO 0.25 -0.03 1.07 -2.14 -0.65 0.00 0.00 175.02 173.52 2kuf s PRO 564 N 1.12 -0.06 0.04 4.11 0.02 -1.26 -0.11 135.00 138.85 2kuf s PRO 564 Ca 0.38 0.56 -0.30 0.00 0.02 0.00 0.00 61.00 61.66 2kuf s PRO 564 Cb -0.18 -1.68 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 2kuf s PRO 564 CO 0.17 -3.07 1.61 0.16 -0.33 0.00 0.00 177.00 175.55 2kuf s ASP 565 N -3.21 6.65 0.00 2.53 -4.77 -1.26 -4.63 116.67 111.98 2kuf s ASP 565 Ca 0.66 2.38 0.05 0.00 -3.30 0.00 0.00 52.55 52.34 2kuf s ASP 565 Cb -0.20 -2.56 0.08 0.00 -1.09 0.00 0.00 42.92 39.15 2kuf s ASP 565 CO 0.60 -0.87 0.84 -0.11 0.70 0.00 0.00 175.17 176.33 2kuf n LEU 566 N 5.86 1.82 -4.72 2.11 0.00 -1.26 -5.00 117.00 115.80 2kuf n LEU 566 Ca 0.16 -1.39 -0.42 0.00 0.00 0.00 0.00 56.01 54.36 2kuf n LEU 566 Cb 0.41 -0.04 -0.03 0.00 0.00 0.00 0.00 43.42 43.76 2kuf n LEU 566 CO 0.62 0.42 0.80 -0.44 0.00 0.00 0.00 177.39 178.79 2kuf s SER 567 N -0.65 7.22 -0.29 1.96 0.01 -1.26 -4.11 113.70 116.57 2kuf s SER 567 Ca 0.08 1.92 -0.02 0.00 1.31 0.00 0.00 55.95 59.24 2kuf s SER 567 Cb 0.05 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2kuf s SER 567 CO 0.07 -0.34 0.26 0.61 0.41 0.00 0.00 173.24 174.25 2kuf n GLY 568 N 2.84 0.22 3.82 3.44 0.00 -1.00 -5.04 105.19 109.47 2kuf n GLY 568 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.36 1.69 0.52 1.61 0.00 -1.26 -4.95 119.30 113.56 2kuf s MET 569 Ca 0.12 -1.00 0.09 0.00 0.00 0.00 0.00 55.69 54.90 2kuf s MET 569 Cb -0.02 0.53 0.06 0.00 0.00 0.00 0.00 34.83 35.40 2kuf s MET 569 CO 0.21 -0.78 0.68 -0.06 0.00 0.00 0.00 175.02 175.07 2kuf s PHE 570 N -3.17 1.88 0.36 3.16 0.08 -1.26 -0.08 117.98 118.96 2kuf s PHE 570 Ca 0.14 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.60 2kuf s PHE 570 Cb -0.04 -2.23 0.69 0.00 -0.57 0.00 0.00 43.02 40.87 2kuf s PHE 570 CO 0.07 -0.84 1.97 2.35 -0.10 0.00 0.00 175.22 178.66 2kuf h TRP 571 N 0.40 0.61 0.00 0.36 2.91 -1.98 0.85 115.95 119.09 2kuf h TRP 571 Ca -0.34 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.67 2kuf h TRP 571 Cb 1.29 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 2kuf h TRP 571 CO 0.47 0.46 0.00 1.33 -1.03 0.00 0.00 178.44 179.68 2kuf n VAL 572 N -4.39 1.06 -0.12 2.65 0.24 -1.26 -0.64 118.33 115.87 2kuf n VAL 572 Ca 0.03 0.27 -0.21 0.00 -2.04 0.00 0.00 64.34 62.39 2kuf n VAL 572 Cb 0.13 -1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 31.36 2kuf n VAL 572 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kuf n ASP 573 N -1.54 2.00 0.17 -1.34 8.00 -0.31 -4.52 116.55 119.02 2kuf n ASP 573 Ca 0.03 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 2kuf n ASP 573 Cb 0.16 -0.53 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kuf h ALA 574 N -0.38 -0.40 -0.34 2.24 0.00 -0.43 -2.76 119.26 117.19 2kuf h ALA 574 Ca -0.58 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.25 2kuf h ALA 574 Cb 1.71 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 2kuf h ALA 574 CO -0.21 -0.67 0.11 1.49 0.00 0.00 0.00 179.25 179.97 2kuf h GLU 575 N -0.50 0.24 -0.70 0.00 4.81 -1.13 0.55 114.58 117.85 2kuf h GLU 575 Ca -0.04 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2kuf h GLU 575 Cb 0.37 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 2kuf h GLU 575 CO 0.07 0.16 0.28 -1.35 -0.73 0.00 0.00 179.01 177.44 2kuf h PRO 576 N 0.25 0.44 -0.57 0.92 0.11 -1.78 0.24 132.00 131.63 2kuf h PRO 576 Ca 0.15 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 2kuf h PRO 576 Cb 0.13 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 2kuf h PRO 576 CO -0.16 0.29 0.09 0.00 -0.21 0.00 0.00 178.00 178.01 2kuf h ARG 577 N 0.46 0.91 -0.09 1.05 2.47 -1.00 0.05 114.38 118.23 2kuf h ARG 577 Ca 0.37 -0.22 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 2kuf h ARG 577 Cb 0.50 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2kuf h ARG 577 CO -0.35 0.85 -0.02 -0.07 0.56 0.00 0.00 179.97 180.94 2kuf h LEU 578 N 0.86 0.18 -1.09 3.04 3.38 -0.10 -0.64 115.31 120.94 2kuf h LEU 578 Ca 0.18 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2kuf h LEU 578 Cb 0.39 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2kuf h LEU 578 CO 0.01 0.51 -0.15 0.08 0.09 0.00 0.00 178.44 178.97 2kuf h ARG 579 N -0.15 0.46 -0.03 1.13 0.11 -0.43 -1.34 114.38 114.13 2kuf h ARG 579 Ca 0.02 -0.14 -0.11 0.00 0.10 0.00 0.00 59.98 59.86 2kuf h ARG 579 Cb 0.43 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2kuf h ARG 579 CO 0.01 0.61 -0.49 0.00 0.10 0.00 0.00 179.97 180.20 2kuf h ALA 580 N 1.42 1.13 -0.00 0.08 0.00 -0.84 -2.07 119.26 118.98 2kuf h ALA 580 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kuf h ALA 580 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kuf h ALA 580 CO 0.03 0.63 -0.06 1.47 0.00 0.00 0.00 179.25 181.32 2kuf n LEU 581 N -3.96 0.09 -1.22 0.00 -0.00 -0.26 -4.92 117.00 106.73 2kuf n LEU 581 Ca -0.02 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 2kuf n LEU 581 Cb 0.52 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2kuf n LEU 581 CO 0.41 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 2kuf n GLY 582 N 1.43 0.65 3.70 1.47 0.00 -0.78 -5.02 105.19 106.65 2kuf n GLY 582 Ca 0.09 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.99 3.59 -0.48 1.61 -0.00 -0.55 -4.92 118.94 115.20 2kuf s TRP 583 Ca 0.00 1.62 0.14 0.00 -0.00 0.00 0.00 56.10 57.86 2kuf s TRP 583 Cb 0.00 -3.13 -0.18 0.00 -0.00 0.00 0.00 33.47 30.16 2kuf s TRP 583 CO 0.00 -0.10 0.52 0.25 -0.00 0.00 0.00 176.95 177.62 2kuf n THR 584 N 4.19 0.00 -1.94 5.86 -2.24 -1.26 -4.88 114.28 114.01 2kuf n THR 584 Ca 0.07 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 2kuf n THR 584 Cb 0.50 0.75 0.09 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.43 -0.36 3.41 3.38 0.00 -0.66 -5.05 105.19 107.35 2kuf n GLY 585 Ca 0.01 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.20 1.56 -0.08 1.61 -1.94 -1.26 -4.99 119.30 110.00 2kuf s MET 586 Ca 0.38 -1.27 -0.22 0.00 -1.71 0.00 0.00 55.69 52.87 2kuf s MET 586 Cb -0.01 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.81 2kuf s MET 586 CO 0.26 0.47 0.64 -1.17 -0.01 0.00 0.00 175.02 175.21 2kuf s LEU 587 N -1.98 4.31 -0.18 -0.03 0.20 -1.26 -4.28 118.68 115.46 2kuf s LEU 587 Ca 0.15 1.10 0.00 0.00 0.69 0.00 0.00 54.13 56.07 2kuf s LEU 587 Cb -0.10 -2.99 0.01 0.00 -0.43 0.00 0.00 46.19 42.68 2kuf s LEU 587 CO 0.07 -0.08 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.27 2kuf s ASP 588 N 0.72 3.48 -0.15 3.68 2.15 -0.99 -5.06 116.67 120.50 2kuf s ASP 588 Ca 0.35 -0.55 -0.06 0.00 0.43 0.00 0.00 52.55 52.71 2kuf s ASP 588 Cb -0.17 -1.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 2kuf s ASP 588 CO 0.16 0.02 0.05 -1.59 -0.17 0.00 0.00 175.17 173.65 2kuf s LYS 589 N 1.17 3.66 0.13 4.34 0.00 -1.26 -1.74 119.74 126.04 2kuf s LYS 589 Ca 0.02 -0.34 0.15 0.00 0.00 0.00 0.00 55.97 55.79 2kuf s LYS 589 Cb -0.14 -3.09 -0.09 0.00 0.00 0.00 0.00 37.83 34.51 2kuf s LYS 589 CO -0.07 0.43 1.06 0.78 0.00 0.00 0.00 175.35 177.55 2kuf h GLY 590 N 6.13 0.00 -5.55 0.59 0.00 -1.51 -3.46 103.07 99.26 2kuf h GLY 590 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.67 2kuf h GLY 590 CO 0.65 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 176.46 2kuf s ALA 591 N -2.88 0.06 -0.16 3.60 0.00 -1.26 -5.06 121.76 116.06 2kuf s ALA 591 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 2kuf s ALA 591 Cb 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 2kuf s ALA 591 CO 0.79 0.01 -0.14 0.16 0.00 0.00 0.00 175.76 176.58 2kuf s ASP 592 N 0.01 3.69 -0.23 0.00 1.47 -1.26 -3.75 116.67 116.61 2kuf s ASP 592 Ca 0.00 -0.47 -0.02 0.00 1.18 0.00 0.00 52.55 53.24 2kuf s ASP 592 Cb -0.01 -1.58 0.02 0.00 -0.34 0.00 0.00 42.92 41.01 2kuf s ASP 592 CO -0.00 0.07 -0.08 -0.69 0.68 0.00 0.00 175.17 175.14 2kuf s VAL 593 N 0.92 2.84 -0.49 2.11 1.01 0.10 -4.89 120.40 122.01 2kuf s VAL 593 Ca -0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 2kuf s VAL 593 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2kuf s VAL 593 CO -0.02 0.33 1.54 -0.62 0.00 0.00 0.00 175.10 176.33 2kuf s ASP 594 N 1.36 6.04 0.11 3.32 2.15 -1.26 -1.56 116.67 126.82 2kuf s ASP 594 Ca 0.03 0.62 0.00 0.00 0.43 0.00 0.00 52.55 53.62 2kuf s ASP 594 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2kuf s ASP 594 CO -0.06 -1.72 0.00 0.00 -0.17 0.00 0.00 175.17 173.22 2kuf n ALA 595 N 9.89 3.00 0.00 3.66 0.00 -1.26 -5.01 120.51 130.79 2kuf n ALA 595 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2kuf n ALA 595 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 3.08 4.21 0.28 0.00 0.00 -1.26 -4.72 105.19 106.78 2kuf n GLY 596 Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 0.51 2.00 -0.02 0.00 -2.00 -1.08 103.07 102.49 2kuf h GLY 597 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2kuf h GLY 597 CO 0.00 0.26 -0.27 0.23 0.00 0.00 0.00 176.54 176.76 2kuf h SER 598 N 0.47 0.00 0.18 0.19 0.87 -2.04 -2.38 113.55 110.84 2kuf h SER 598 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2kuf h SER 598 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2kuf h SER 598 CO 0.00 0.27 -0.12 0.00 -0.53 0.00 0.00 176.83 176.45 2kuf n GLN 599 N -3.29 1.06 -2.09 2.24 1.13 -0.46 -4.99 117.38 110.98 2kuf n GLN 599 Ca 0.01 -0.53 -0.02 0.00 -1.94 0.00 0.00 57.00 54.53 2kuf n GLN 599 Cb 0.53 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.38 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 -0.51 -2.22 -2.73 1.08 8.25 -0.87 -4.89 115.22 113.33 2kuf n HIS 600 Ca 0.16 1.16 -0.43 0.00 -0.26 0.00 0.00 57.72 58.35 2kuf n HIS 600 Cb 0.31 -2.78 -0.00 0.00 1.12 0.00 0.00 29.99 28.64 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 -0.57 6.93 0.27 0.41 0.01 -1.25 -4.90 114.94 115.83 2kuf s ASN 601 Ca -0.08 -2.66 0.04 0.00 -0.71 0.00 0.00 52.86 49.45 2kuf s ASN 601 Cb 0.01 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 2kuf s ASN 601 CO 0.41 -1.00 0.41 0.00 -1.51 0.00 0.00 177.10 175.41 2kuf s ARG 602 N 3.16 3.45 0.10 -0.60 1.70 -1.26 -4.50 118.95 121.00 2kuf s ARG 602 Ca 0.49 -0.64 -0.31 0.00 -0.47 0.00 0.00 55.73 54.80 2kuf s ARG 602 Cb 0.01 -2.83 -0.07 0.00 -0.57 0.00 0.00 34.95 31.49 2kuf s ARG 602 CO 0.05 0.36 1.32 0.08 -1.08 0.00 0.00 175.30 176.02 2kuf s VAL 603 N -2.06 3.55 -0.11 4.99 1.01 0.89 -3.10 120.40 125.57 2kuf s VAL 603 Ca 0.36 1.12 0.10 0.00 0.00 0.00 0.00 61.98 63.55 2kuf s VAL 603 Cb -0.09 -3.72 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 2kuf s VAL 603 CO 0.31 0.09 0.04 1.33 0.00 0.00 0.00 175.10 176.87 2kuf n VAL 604 N 3.88 0.76 -3.68 2.92 0.24 -0.50 -2.38 118.33 119.58 2kuf n VAL 604 Ca 0.10 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 2kuf n VAL 604 Cb 0.44 -0.68 -0.08 0.00 -1.47 0.00 0.00 33.84 32.04 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 -2.29 -0.64 -0.11 6.34 5.04 -1.07 -4.84 117.35 119.78 2kuf s TYR 605 Ca -0.06 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.16 2kuf s TYR 605 Cb 0.03 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.58 2kuf s TYR 605 CO 0.46 -0.31 -0.22 1.14 -1.34 0.00 0.00 175.55 175.28 2kuf s GLN 606 N 0.39 2.86 0.12 4.97 -2.07 -1.26 -0.22 119.66 124.44 2kuf s GLN 606 Ca -0.01 -0.81 -0.22 0.00 -1.82 0.00 0.00 55.36 52.50 2kuf s GLN 606 Cb -0.04 -2.22 -0.06 0.00 -1.09 0.00 0.00 33.01 29.60 2kuf s GLN 606 CO -0.00 0.10 1.69 -0.97 -1.32 0.00 0.00 175.29 174.79 2kuf h ASN 607 N 6.94 -0.29 -3.38 12.60 -0.73 -1.73 -3.34 115.58 125.66 2kuf h ASN 607 Ca -0.24 0.06 -0.57 0.00 1.87 0.00 0.00 56.30 57.42 2kuf h ASN 607 Cb 1.22 0.14 -0.06 0.00 0.27 0.00 0.00 38.32 39.89 2kuf h ASN 607 CO 0.49 -0.13 0.99 -2.16 -0.37 0.00 0.00 177.43 176.25 2kuf s PRO 608 N -6.17 3.74 0.65 6.67 0.04 -1.26 -5.02 135.00 133.65 2kuf s PRO 608 Ca -0.14 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 2kuf s PRO 608 Cb 0.09 -3.93 -0.01 0.00 0.04 0.00 0.00 34.50 30.69 2kuf s PRO 608 CO 0.67 -1.35 1.10 -2.14 0.04 0.00 0.00 177.00 175.32 2kuf s PRO 609 N 4.51 2.91 0.15 0.56 0.02 -1.25 -4.99 135.00 136.90 2kuf s PRO 609 Ca 0.55 1.33 -0.31 0.00 0.02 0.00 0.00 61.00 62.59 2kuf s PRO 609 Cb -0.12 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 2kuf s PRO 609 CO 0.29 -1.15 1.43 0.00 -0.33 0.00 0.00 177.00 177.24 2kuf s ALA 610 N -2.40 3.64 0.00 -1.55 0.00 -1.26 -2.17 121.76 118.01 2kuf s ALA 610 Ca 0.66 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2kuf s ALA 610 Cb -0.19 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2kuf s ALA 610 CO 0.41 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2kuf n GLY 611 N 3.37 0.29 3.91 0.00 0.00 0.84 -4.93 105.19 108.66 2kuf n GLY 611 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.06 5.07 0.12 2.61 2.01 -0.92 -4.74 115.64 117.72 2kuf s THR 612 Ca 0.00 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 2kuf s THR 612 Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2kuf s THR 612 CO 0.00 -0.15 0.95 -0.83 -0.69 0.00 0.00 174.62 173.90 2kuf s GLY 613 N -3.37 3.00 0.02 4.40 0.00 -1.26 -1.38 107.32 108.74 2kuf s GLY 613 Ca 0.34 0.56 0.09 0.00 0.00 0.00 0.00 44.72 45.70 2kuf s GLY 613 CO 0.27 1.42 -0.25 -1.34 0.00 0.00 0.00 173.10 173.19 2kuf s VAL 614 N -0.10 2.04 1.01 1.40 -7.23 -0.64 -4.87 120.40 112.00 2kuf s VAL 614 Ca 0.46 -1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 59.20 2kuf s VAL 614 Cb -0.23 -1.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.98 2kuf s VAL 614 CO 0.30 0.41 -0.10 -0.46 -0.31 0.00 0.00 175.10 174.94 2kuf n ASN 615 N 2.01 -2.96 0.23 4.85 6.94 -1.26 -1.92 115.26 123.14 2kuf n ASN 615 Ca -0.17 0.15 0.13 0.00 -0.02 0.00 0.00 54.58 54.68 2kuf n ASN 615 Cb 0.52 -1.00 0.77 0.00 -2.36 0.00 0.00 39.78 37.71 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 -1.55 0.00 -0.00 -3.83 0.11 -1.35 0.46 114.38 108.22 2kuf h ARG 616 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 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 0.32 0.00 -0.04 -0.25 0.10 0.00 0.00 179.97 180.10 2kuf n ASP 617 N -4.16 0.09 -1.06 0.08 8.00 -1.26 -4.72 116.55 113.52 2kuf n ASP 617 Ca -0.00 -0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2kuf n ASP 617 Cb 0.20 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 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 1.36 1.44 3.66 0.44 0.00 0.16 -1.65 105.19 110.60 2kuf n GLY 618 Ca 0.12 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.49 3.81 -0.08 -0.61 -1.16 -1.26 -4.87 121.20 114.54 2kuf s ILE 619 Ca 0.00 0.97 0.05 0.00 -0.51 0.00 0.00 60.65 61.16 2kuf s ILE 619 Cb 0.00 -3.66 -0.01 0.00 0.61 0.00 0.00 42.46 39.40 2kuf s ILE 619 CO 0.00 -0.12 -0.23 0.27 -2.81 0.00 0.00 174.94 172.06 2kuf s ILE 620 N 4.04 2.25 -0.24 2.00 -4.36 -1.26 -4.87 121.20 118.75 2kuf s ILE 620 Ca 0.67 -0.98 -0.05 0.00 -0.26 0.00 0.00 60.65 60.04 2kuf s ILE 620 Cb -0.29 -1.85 -0.00 0.00 1.25 0.00 0.00 42.46 41.57 2kuf s ILE 620 CO 0.25 0.56 -0.00 0.28 0.24 0.00 0.00 174.94 176.27 2kuf s THR 621 N -0.03 3.55 0.20 8.37 -1.32 -1.25 -2.34 115.64 122.82 2kuf s THR 621 Ca -0.07 -0.57 -0.00 0.00 -1.21 0.00 0.00 61.69 59.84 2kuf s THR 621 Cb -0.15 -2.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.10 2kuf s THR 621 CO 0.05 0.31 0.10 -1.48 -2.21 0.00 0.00 174.62 171.39 2kuf s LEU 622 N 1.48 1.40 -0.04 9.08 -0.00 -0.71 -1.81 118.68 128.09 2kuf s LEU 622 Ca 0.04 -1.35 0.04 0.00 -0.00 0.00 0.00 54.13 52.87 2kuf s LEU 622 Cb -0.15 0.27 -0.00 0.00 -0.00 0.00 0.00 46.19 46.30 2kuf s LEU 622 CO -0.01 -0.78 -0.17 0.00 -0.00 0.00 0.00 176.35 175.38 2kuf s ARG 623 N -4.10 1.76 0.21 1.48 1.70 0.69 -1.20 118.95 119.47 2kuf s ARG 623 Ca 0.36 -0.61 -0.04 0.00 -0.47 0.00 0.00 55.73 54.96 2kuf s ARG 623 Cb 0.07 -1.54 -0.03 0.00 -0.57 0.00 0.00 34.95 32.88 2kuf s ARG 623 CO 0.10 0.26 0.21 -0.59 -1.08 0.00 0.00 175.30 174.20 2kuf s PHE 624 N -0.01 0.94 0.00 5.89 -0.71 -1.25 -1.40 117.98 121.44 2kuf s PHE 624 Ca -0.03 -1.21 0.00 0.00 -1.04 0.00 0.00 56.93 54.66 2kuf s PHE 624 Cb -0.11 -0.37 0.00 0.00 -1.21 0.00 0.00 43.02 41.33 2kuf s PHE 624 CO 0.02 -0.72 0.00 0.41 -1.34 0.00 0.00 175.22 173.59 2kuf n GLY 625 N -0.29 -1.91 0.83 1.99 0.00 -1.18 -3.67 105.19 100.97 2kuf n GLY 625 Ca 0.01 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2kuf n GLY 625 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14