#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 2.98 -2.13 1.61 0.02 -1.26 -4.09 135.00 132.13 2kuf s PRO 492 Ca 0.00 0.81 0.00 0.00 0.02 0.00 0.00 61.00 61.83 2kuf s PRO 492 Cb 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2kuf s PRO 492 CO 0.00 -1.03 0.00 0.00 -0.33 0.00 0.00 177.00 175.64 2kuf n ALA 493 N -3.06 -0.37 -2.89 -1.55 0.00 -1.26 -4.94 120.51 106.44 2kuf n ALA 493 Ca 0.07 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 2kuf n ALA 493 Cb 0.54 -2.07 -0.13 0.00 0.00 0.00 0.00 19.45 17.79 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 -2.81 0.12 0.02 0.00 -4.23 -1.26 0.02 115.64 107.51 2kuf s THR 494 Ca 0.00 -0.35 0.04 0.00 -1.18 0.00 0.00 61.69 60.19 2kuf s THR 494 Cb 0.00 -0.16 -0.02 0.00 1.34 0.00 0.00 72.50 73.66 2kuf s THR 494 CO 0.00 -0.15 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.28 2kuf s LYS 495 N -0.52 0.83 -0.22 3.99 1.02 0.12 -4.79 119.74 120.16 2kuf s LYS 495 Ca -0.05 -0.57 -0.22 0.00 0.02 0.00 0.00 55.97 55.16 2kuf s LYS 495 Cb -0.04 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 2kuf s LYS 495 CO -0.00 0.20 0.68 -0.51 -0.92 0.00 0.00 175.35 174.80 2kuf s ASP 496 N -0.75 6.69 -0.20 2.83 1.11 -1.26 -0.45 116.67 124.64 2kuf s ASP 496 Ca 0.01 0.85 -0.23 0.00 0.18 0.00 0.00 52.55 53.36 2kuf s ASP 496 Cb -0.06 -2.37 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 2kuf s ASP 496 CO 0.00 -0.35 0.74 0.27 1.18 0.00 0.00 175.17 177.02 2kuf s ILE 497 N 2.26 4.93 0.00 0.77 -4.36 -0.24 -4.95 121.20 119.60 2kuf s ILE 497 Ca 0.30 1.42 0.00 0.00 -0.26 0.00 0.00 60.65 62.11 2kuf s ILE 497 Cb -0.16 -4.05 0.00 0.00 1.25 0.00 0.00 42.46 39.50 2kuf s ILE 497 CO 0.09 0.04 0.00 -0.81 0.24 0.00 0.00 174.94 174.50 2kuf n PRO 498 N 5.36 0.35 -3.19 0.37 -0.04 -1.26 0.32 135.00 136.90 2kuf n PRO 498 Ca 0.02 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 2kuf n PRO 498 Cb 0.49 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 2kuf n PRO 498 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2kuf s ASP 499 N -1.00 6.81 0.00 3.54 -4.77 -1.26 -4.66 116.67 115.33 2kuf s ASP 499 Ca 0.00 0.98 0.00 0.00 -3.30 0.00 0.00 52.55 50.23 2kuf s ASP 499 Cb 0.00 -2.34 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 2kuf s ASP 499 CO 0.00 -0.06 0.85 1.33 0.70 0.00 0.00 175.17 177.99 2kuf n VAL 500 N 3.75 0.71 -2.27 2.11 0.24 -1.26 -4.99 118.33 116.63 2kuf n VAL 500 Ca -0.04 -0.81 -0.41 0.00 -2.04 0.00 0.00 64.34 61.03 2kuf n VAL 500 Cb 0.51 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.71 2.64 0.00 2.33 0.00 -1.26 -3.36 121.76 121.40 2kuf s ALA 501 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2kuf s ALA 501 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.96 2kuf s ALA 501 CO 0.00 -3.19 0.00 0.41 0.00 0.00 0.00 175.76 172.98 2kuf n GLY 502 N 5.41 1.76 3.01 0.00 0.00 -1.19 -5.01 105.19 109.15 2kuf n GLY 502 Ca 0.15 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.18 -1.76 1.61 0.00 -1.21 -4.87 117.38 111.32 2kuf n GLN 503 Ca 0.00 -2.17 -0.33 0.00 0.00 0.00 0.00 57.00 54.50 2kuf n GLN 503 Cb 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 30.24 29.84 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 -2.23 3.35 0.16 -0.39 2.01 -1.26 -2.39 115.64 114.90 2kuf s THR 504 Ca 0.50 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 63.00 2kuf s THR 504 Cb -0.03 -3.14 0.05 0.00 0.01 0.00 0.00 72.50 69.39 2kuf s THR 504 CO 0.33 -0.41 1.66 1.62 -0.69 0.00 0.00 174.62 177.14 2kuf h VAL 505 N 0.00 1.25 -0.81 3.82 3.04 -0.77 0.14 116.25 122.92 2kuf h VAL 505 Ca -0.46 -0.92 -0.03 0.00 -1.01 0.00 0.00 66.70 64.28 2kuf h VAL 505 Cb 1.24 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 31.26 2kuf h VAL 505 CO 0.54 0.34 0.40 -0.78 -1.01 0.00 0.00 177.57 177.06 2kuf h ASP 506 N 0.80 1.05 -0.17 3.17 3.58 -1.92 0.20 116.42 123.13 2kuf h ASP 506 Ca 0.17 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2kuf h ASP 506 Cb 0.38 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2kuf h ASP 506 CO 0.01 0.88 0.00 0.58 -2.88 0.00 0.00 179.24 177.82 2kuf h VAL 507 N 1.14 1.25 -0.46 2.25 2.07 -1.84 0.18 116.25 120.84 2kuf h VAL 507 Ca 0.28 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kuf h VAL 507 Cb 0.10 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2kuf h VAL 507 CO -0.04 0.25 0.28 0.00 0.02 0.00 0.00 177.57 178.08 2kuf h ALA 508 N 0.78 0.59 -0.23 1.67 0.00 -0.21 0.34 119.26 122.20 2kuf h ALA 508 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kuf h ALA 508 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kuf h ALA 508 CO 0.01 0.08 0.05 1.96 0.00 0.00 0.00 179.25 181.34 2kuf h GLN 509 N 0.61 0.37 -0.47 0.00 4.20 -0.45 -1.32 115.11 118.05 2kuf h GLN 509 Ca 0.17 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 2kuf h GLN 509 Cb -0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2kuf h GLN 509 CO -0.03 0.50 -0.17 1.57 -0.67 0.00 0.00 178.83 180.03 2kuf h LYS 510 N 0.18 0.92 -0.64 1.46 2.10 -0.86 0.48 116.57 120.22 2kuf h LYS 510 Ca 0.07 -0.36 -0.03 0.00 -2.00 0.00 0.00 60.65 58.33 2kuf h LYS 510 Cb 0.30 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.55 2kuf h LYS 510 CO 0.00 1.01 0.28 -0.91 -2.00 0.00 0.00 179.45 177.83 2kuf h ASN 511 N 0.81 0.86 -0.37 7.07 2.35 -0.73 0.22 115.58 125.79 2kuf h ASN 511 Ca 0.12 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 2kuf h ASN 511 Cb 0.71 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2kuf h ASN 511 CO 0.05 0.78 -0.22 0.25 -1.65 0.00 0.00 177.43 176.64 2kuf h LEU 512 N 0.88 0.83 -0.93 1.61 7.12 -1.09 -3.22 115.31 120.51 2kuf h LEU 512 Ca 0.21 -0.42 0.02 0.00 0.13 0.00 0.00 57.88 57.82 2kuf h LEU 512 Cb 0.17 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 40.02 2kuf h LEU 512 CO -0.02 1.07 0.61 -1.13 -0.13 0.00 0.00 178.44 178.84 2kuf h ASN 513 N 0.59 1.04 -0.49 1.25 -0.00 -0.18 0.12 115.58 117.90 2kuf h ASN 513 Ca 0.08 -0.02 0.07 0.00 -0.00 0.00 0.00 56.30 56.43 2kuf h ASN 513 Cb 0.78 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.82 2kuf h ASN 513 CO 0.06 0.73 0.33 0.58 -0.00 0.00 0.00 177.43 179.13 2kuf h VAL 514 N 1.22 0.95 -0.17 2.57 2.07 -0.98 0.23 116.25 122.13 2kuf h VAL 514 Ca 0.35 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2kuf h VAL 514 Cb -0.08 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2kuf h VAL 514 CO -0.10 0.07 0.00 -1.22 0.02 0.00 0.00 177.57 176.34 2kuf n TYR 515 N -4.47 0.44 0.10 1.57 4.02 -0.82 -4.76 117.16 113.24 2kuf n TYR 515 Ca 0.07 -0.78 0.00 0.00 -0.01 0.00 0.00 57.90 57.18 2kuf n TYR 515 Cb 0.27 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kuf n GLY 516 N -0.56 -0.20 2.35 2.72 0.00 0.35 -5.01 105.19 104.84 2kuf n GLY 516 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.37 -0.65 -1.88 1.61 3.72 0.69 -4.99 117.46 112.59 2kuf n PHE 517 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 2kuf n PHE 517 Cb 0.02 -3.30 0.12 0.00 -0.94 0.00 0.00 39.48 35.38 2kuf n PHE 517 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kuf s THR 518 N -2.80 2.00 -0.11 4.37 -4.23 -1.26 -4.96 115.64 108.64 2kuf s THR 518 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 2kuf s THR 518 Cb 0.00 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2kuf s THR 518 CO 0.00 0.00 -0.01 -0.54 -0.54 0.00 0.00 174.62 173.53 2kuf s LYS 519 N -5.64 3.26 0.05 3.99 3.01 -1.17 -4.92 119.74 118.32 2kuf s LYS 519 Ca 0.65 -0.45 0.03 0.00 -1.01 0.00 0.00 55.97 55.20 2kuf s LYS 519 Cb -0.09 -2.85 -0.02 0.00 -1.01 0.00 0.00 37.83 33.85 2kuf s LYS 519 CO 0.50 0.52 -0.11 -0.59 0.51 0.00 0.00 175.35 176.19 2kuf s PHE 520 N -0.39 0.91 0.01 3.18 -0.12 -1.26 0.12 117.98 120.43 2kuf s PHE 520 Ca 0.07 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 2kuf s PHE 520 Cb -0.12 -0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 41.73 2kuf s PHE 520 CO 0.02 -0.02 -0.02 -1.12 -0.05 0.00 0.00 175.22 174.03 2kuf s SER 521 N -1.54 0.27 -0.05 1.98 0.01 -0.56 -4.90 113.70 108.91 2kuf s SER 521 Ca -0.06 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.08 2kuf s SER 521 Cb -0.09 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 2kuf s SER 521 CO 0.01 -0.06 -0.21 0.00 0.41 0.00 0.00 173.24 173.39 2kuf s GLN 522 N -0.47 2.48 -0.16 12.44 -2.07 -1.26 -0.62 119.66 130.00 2kuf s GLN 522 Ca -0.04 -0.82 0.01 0.00 -1.82 0.00 0.00 55.36 52.69 2kuf s GLN 522 Cb -0.03 -2.24 0.02 0.00 -1.09 0.00 0.00 33.01 29.67 2kuf s GLN 522 CO -0.00 0.50 -0.16 0.00 -1.32 0.00 0.00 175.29 174.30 2kuf s ALA 523 N -0.44 2.06 -0.27 2.60 0.00 0.73 -4.95 121.76 121.50 2kuf s ALA 523 Ca 0.05 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 2kuf s ALA 523 Cb -0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2kuf s ALA 523 CO 0.01 -0.39 0.34 -1.12 0.00 0.00 0.00 175.76 174.61 2kuf s SER 524 N 1.40 6.22 0.18 0.00 0.01 -1.26 -0.16 113.70 120.09 2kuf s SER 524 Ca 0.05 0.25 0.09 0.00 1.31 0.00 0.00 55.95 57.65 2kuf s SER 524 Cb -0.13 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2kuf s SER 524 CO -0.12 -0.15 -0.19 0.54 0.41 0.00 0.00 173.24 173.73 2kuf s VAL 525 N 1.97 1.96 0.19 3.43 0.11 0.62 -4.87 120.40 123.80 2kuf s VAL 525 Ca 0.14 -1.97 -0.30 0.00 -2.93 0.00 0.00 61.98 56.92 2kuf s VAL 525 Cb -0.16 -1.92 -0.08 0.00 -1.53 0.00 0.00 36.38 32.69 2kuf s VAL 525 CO 0.10 -0.28 1.09 1.51 -3.33 0.00 0.00 175.10 174.18 2kuf s ASP 526 N -2.72 7.29 0.14 3.54 1.47 -1.26 -0.30 116.67 124.84 2kuf s ASP 526 Ca 0.17 2.09 -0.24 0.00 1.18 0.00 0.00 52.55 55.76 2kuf s ASP 526 Cb -0.06 -2.61 0.07 0.00 -0.34 0.00 0.00 42.92 39.99 2kuf s ASP 526 CO 0.08 -0.19 0.62 -0.44 0.68 0.00 0.00 175.17 175.92 2kuf s SER 527 N -0.24 -0.56 0.00 2.11 0.01 -0.07 -4.84 113.70 110.11 2kuf s SER 527 Ca 0.48 0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.85 2kuf s SER 527 Cb -0.29 0.58 0.35 0.00 0.21 0.00 0.00 66.02 66.87 2kuf s SER 527 CO 0.35 -0.94 1.25 -2.65 0.41 0.00 0.00 173.24 171.67 2kuf n PRO 528 N -0.33 0.01 -2.68 12.44 -0.02 -1.26 -3.70 135.00 139.45 2kuf n PRO 528 Ca -0.17 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.28 2kuf n PRO 528 Cb 0.65 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 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 -2.98 4.66 0.66 -0.52 1.81 -1.26 -4.90 118.95 116.41 2kuf s ARG 529 Ca 0.04 1.51 -0.17 0.00 -1.72 0.00 0.00 55.73 55.39 2kuf s ARG 529 Cb 0.05 -3.04 -0.00 0.00 -0.45 0.00 0.00 34.95 31.51 2kuf s ARG 529 CO 0.15 0.32 1.20 -1.25 -0.68 0.00 0.00 175.30 175.03 2kuf s PRO 530 N -1.63 2.61 -0.21 3.54 0.04 -1.26 -2.71 135.00 135.38 2kuf s PRO 530 Ca 0.46 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 2kuf s PRO 530 Cb -0.25 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2kuf s PRO 530 CO 0.31 -1.48 2.19 0.00 0.04 0.00 0.00 177.00 178.07 2kuf n ALA 531 N -2.14 1.68 0.00 8.56 0.00 -1.20 -1.48 120.51 125.93 2kuf n ALA 531 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kuf n ALA 531 Cb 0.50 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 5.72 1.73 3.76 0.00 0.00 -0.40 -4.93 105.19 111.07 2kuf n GLY 532 Ca 0.30 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 4.68 -0.31 1.61 2.12 -0.55 -0.07 118.70 126.17 2kuf s GLU 533 Ca 0.00 1.30 -0.23 0.00 0.36 0.00 0.00 54.97 56.40 2kuf s GLU 533 Cb 0.00 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2kuf s GLU 533 CO 0.00 0.46 0.77 0.54 -0.54 0.00 0.00 175.26 176.48 2kuf s VAL 534 N -0.82 4.80 0.15 3.70 0.11 -1.00 -0.39 120.40 126.94 2kuf s VAL 534 Ca 0.40 1.11 0.15 0.00 -2.93 0.00 0.00 61.98 60.70 2kuf s VAL 534 Cb -0.24 -4.14 0.05 0.00 -1.53 0.00 0.00 36.38 30.53 2kuf s VAL 534 CO 0.28 -0.26 1.62 0.74 -3.33 0.00 0.00 175.10 174.16 2kuf h THR 535 N 5.61 1.10 0.00 5.04 2.02 -1.17 -3.16 112.91 122.35 2kuf h THR 535 Ca -0.25 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 64.99 2kuf h THR 535 Cb 1.10 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2kuf h THR 535 CO 0.88 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.88 2kuf n GLY 536 N 0.47 0.02 3.53 2.16 0.00 -1.21 -4.73 105.19 105.42 2kuf n GLY 536 Ca -0.00 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.90 2.85 0.04 2.61 -4.23 -1.26 -0.45 115.64 112.29 2kuf s THR 537 Ca 0.00 -2.05 -0.27 0.00 -1.18 0.00 0.00 61.69 58.19 2kuf s THR 537 Cb 0.00 -2.46 -0.17 0.00 1.34 0.00 0.00 72.50 71.20 2kuf s THR 537 CO 0.00 -0.28 1.43 -1.13 -0.54 0.00 0.00 174.62 174.10 2kuf h ASN 538 N 2.49 -0.39 -3.38 3.99 -1.24 -1.75 -3.41 115.58 111.89 2kuf h ASN 538 Ca -0.44 -0.10 -0.52 0.00 0.71 0.00 0.00 56.30 55.95 2kuf h ASN 538 Cb 1.24 0.10 0.03 0.00 0.73 0.00 0.00 38.32 40.42 2kuf h ASN 538 CO 0.57 -0.12 0.66 -2.16 -1.29 0.00 0.00 177.43 175.08 2kuf s PRO 539 N -5.29 4.38 0.79 6.67 0.04 -1.26 -4.99 135.00 135.34 2kuf s PRO 539 Ca -0.15 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 2kuf s PRO 539 Cb 0.03 -3.19 0.07 0.00 0.04 0.00 0.00 34.50 31.46 2kuf s PRO 539 CO 0.59 -0.27 1.19 -1.25 0.04 0.00 0.00 177.00 177.31 2kuf s PRO 540 N -0.12 1.77 0.18 0.56 0.04 -1.26 -4.91 135.00 131.25 2kuf s PRO 540 Ca 0.57 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 63.00 2kuf s PRO 540 Cb -0.37 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 2kuf s PRO 540 CO 0.38 -2.10 1.51 0.00 0.04 0.00 0.00 177.00 176.83 2kuf s ALA 541 N -2.18 3.71 0.00 8.56 0.00 -1.26 -2.17 121.76 128.42 2kuf s ALA 541 Ca 0.72 1.32 0.00 0.00 0.00 0.00 0.00 51.96 54.00 2kuf s ALA 541 Cb -0.28 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2kuf s ALA 541 CO 0.50 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2kuf n GLY 542 N 3.34 0.55 3.74 0.00 0.00 0.15 -4.96 105.19 108.01 2kuf n GLY 542 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 4.34 -0.14 2.61 2.01 -0.92 -4.76 115.64 116.78 2kuf s THR 543 Ca 0.00 2.00 -0.18 0.00 0.31 0.00 0.00 61.69 63.82 2kuf s THR 543 Cb 0.00 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2kuf s THR 543 CO 0.00 0.41 0.48 0.28 -0.69 0.00 0.00 174.62 175.10 2kuf s THR 544 N -0.58 5.17 0.17 -0.82 -1.32 -1.26 -1.08 115.64 115.92 2kuf s THR 544 Ca 0.43 0.93 0.09 0.00 -1.21 0.00 0.00 61.69 61.93 2kuf s THR 544 Cb -0.24 -3.81 -0.04 0.00 -1.51 0.00 0.00 72.50 66.89 2kuf s THR 544 CO 0.30 0.29 -0.20 0.68 -2.21 0.00 0.00 174.62 173.48 2kuf s VAL 545 N 0.91 1.93 0.30 5.08 -7.23 0.40 -4.90 120.40 116.89 2kuf s VAL 545 Ca 0.25 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 2kuf s VAL 545 Cb -0.15 -1.89 -0.10 0.00 0.56 0.00 0.00 36.38 34.79 2kuf s VAL 545 CO 0.10 -0.27 1.38 -2.84 -0.31 0.00 0.00 175.10 173.16 2kuf s PRO 546 N -2.74 4.29 0.59 4.82 0.02 -1.26 0.11 135.00 140.83 2kuf s PRO 546 Ca 0.16 2.29 0.38 0.00 0.02 0.00 0.00 61.00 63.86 2kuf s PRO 546 Cb -0.06 -3.08 1.82 0.00 0.02 0.00 0.00 34.50 33.20 2kuf s PRO 546 CO 0.07 -0.32 2.14 -0.24 -0.33 0.00 0.00 177.00 178.32 2kuf h VAL 547 N 3.24 0.00 0.00 3.83 3.04 -0.71 -0.62 116.25 125.02 2kuf h VAL 547 Ca -0.48 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 2kuf h VAL 547 Cb 1.22 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2kuf h VAL 547 CO 0.70 0.00 -0.38 -0.78 -1.01 0.00 0.00 177.57 176.10 2kuf h ASP 548 N 0.00 0.00 -4.25 3.17 3.58 -1.90 -3.40 116.42 113.62 2kuf h ASP 548 Ca 0.00 -0.09 -0.16 0.00 0.42 0.00 0.00 57.03 57.20 2kuf h ASP 548 Cb 0.28 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.35 2kuf h ASP 548 CO 0.00 0.05 0.02 -0.24 -2.88 0.00 0.00 179.24 176.19 2kuf n SER 549 N -2.35 0.53 -4.32 2.28 2.88 -0.24 -4.90 113.62 107.49 2kuf n SER 549 Ca 0.04 -1.42 -0.31 0.00 -1.33 0.00 0.00 58.87 55.84 2kuf n SER 549 Cb 0.46 -0.20 -0.16 0.00 -0.75 0.00 0.00 64.21 63.56 2kuf n SER 549 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kuf s VAL 550 N -0.71 2.23 0.04 2.46 0.11 -1.26 -3.05 120.40 120.22 2kuf s VAL 550 Ca 0.22 -1.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.15 2kuf s VAL 550 Cb -0.01 -1.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 2kuf s VAL 550 CO 0.14 0.58 0.36 -0.63 -3.33 0.00 0.00 175.10 172.22 2kuf s ILE 551 N -0.45 5.15 -0.30 7.04 1.01 0.12 -4.96 121.20 128.81 2kuf s ILE 551 Ca 0.05 0.45 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 2kuf s ILE 551 Cb -0.11 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2kuf s ILE 551 CO 0.01 0.37 0.15 -0.70 0.00 0.00 0.00 174.94 174.77 2kuf s GLU 552 N -1.70 3.49 -0.25 2.79 2.56 -1.26 -1.49 118.70 122.84 2kuf s GLU 552 Ca 0.29 -0.61 -0.08 0.00 0.00 0.00 0.00 54.97 54.57 2kuf s GLU 552 Cb -0.14 -3.55 -0.03 0.00 2.00 0.00 0.00 34.13 32.41 2kuf s GLU 552 CO 0.16 -0.34 0.09 -0.51 -0.56 0.00 0.00 175.26 174.10 2kuf s LEU 553 N 1.64 3.56 -0.24 2.70 2.01 0.21 -1.87 118.68 126.69 2kuf s LEU 553 Ca 0.05 -0.16 -0.19 0.00 0.01 0.00 0.00 54.13 53.84 2kuf s LEU 553 Cb -0.17 -1.96 -0.02 0.00 0.01 0.00 0.00 46.19 44.05 2kuf s LEU 553 CO 0.07 -0.02 0.58 -1.10 1.01 0.00 0.00 176.35 176.88 2kuf s GLN 554 N 1.57 4.12 -0.11 1.70 1.11 0.40 -0.20 119.66 128.24 2kuf s GLN 554 Ca 0.06 0.47 -0.04 0.00 0.01 0.00 0.00 55.36 55.86 2kuf s GLN 554 Cb -0.15 -3.63 -0.03 0.00 -1.01 0.00 0.00 33.01 28.18 2kuf s GLN 554 CO 0.05 -0.34 0.03 0.08 0.01 0.00 0.00 175.29 175.12 2kuf s VAL 555 N 2.26 4.52 -0.05 1.09 1.01 0.78 -0.57 120.40 129.44 2kuf s VAL 555 Ca 0.25 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 2kuf s VAL 555 Cb -0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2kuf s VAL 555 CO 0.09 0.57 0.55 -0.44 0.00 0.00 0.00 175.10 175.88 2kuf s SER 556 N -0.56 6.87 -0.19 3.32 0.01 0.47 -0.28 113.70 123.34 2kuf s SER 556 Ca 0.10 1.04 -0.06 0.00 1.31 0.00 0.00 55.95 58.33 2kuf s SER 556 Cb -0.12 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2kuf s SER 556 CO 0.02 0.06 0.03 -1.59 0.41 0.00 0.00 173.24 172.17 2kuf s LYS 557 N 0.12 3.79 0.62 12.44 -2.85 0.59 -1.27 119.74 133.18 2kuf s LYS 557 Ca 0.30 -0.44 0.31 0.00 -1.00 0.00 0.00 55.97 55.14 2kuf s LYS 557 Cb -0.17 -3.15 1.70 0.00 -2.06 0.00 0.00 37.83 34.15 2kuf s LYS 557 CO 0.15 0.14 2.05 0.78 0.10 0.00 0.00 175.35 178.56 2kuf h GLY 558 N 7.12 0.00 0.00 0.59 0.00 -1.59 -0.16 103.07 109.03 2kuf h GLY 558 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2kuf h GLY 558 CO 0.65 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.18 2kuf n ASN 559 N -3.48 0.00 -4.57 0.19 2.85 -1.26 -4.51 115.26 104.47 2kuf n ASN 559 Ca 0.01 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.17 2kuf n ASN 559 Cb 0.38 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.29 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 -0.09 2.45 0.07 1.20 -0.21 -1.26 -0.02 119.66 121.80 2kuf s GLN 560 Ca 0.00 -0.79 0.08 0.00 0.02 0.00 0.00 55.36 54.68 2kuf s GLN 560 Cb 0.00 -2.44 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 2kuf s GLN 560 CO 0.00 0.58 -0.23 -0.59 -2.12 0.00 0.00 175.29 172.94 2kuf s PHE 561 N -1.01 1.96 -0.08 0.91 -0.71 0.25 -4.79 117.98 114.51 2kuf s PHE 561 Ca 0.17 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.38 2kuf s PHE 561 Cb -0.11 -1.13 -0.07 0.00 -1.21 0.00 0.00 43.02 40.50 2kuf s PHE 561 CO 0.08 0.16 1.95 0.08 -1.34 0.00 0.00 175.22 176.15 2kuf s VAL 562 N -0.92 3.18 -0.05 -2.49 1.01 -1.26 -0.46 120.40 119.40 2kuf s VAL 562 Ca 0.09 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 2kuf s VAL 562 Cb -0.09 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2kuf s VAL 562 CO 0.03 -0.05 1.10 -0.32 0.00 0.00 0.00 175.10 175.85 2kuf s MET 563 N 4.95 4.42 0.98 2.72 1.75 0.13 -4.85 119.30 129.40 2kuf s MET 563 Ca 0.87 1.55 -0.12 0.00 -1.25 0.00 0.00 55.69 56.74 2kuf s MET 563 Cb -0.36 -3.51 0.18 0.00 2.84 0.00 0.00 34.83 33.97 2kuf s MET 563 CO 0.37 -0.32 1.09 -2.14 -0.65 0.00 0.00 175.02 173.37 2kuf s PRO 564 N 1.81 0.54 0.07 4.11 0.02 -1.26 -0.55 135.00 139.75 2kuf s PRO 564 Ca 0.53 0.59 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 2kuf s PRO 564 Cb -0.22 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 2kuf s PRO 564 CO 0.22 -2.67 1.05 0.34 -0.33 0.00 0.00 177.00 175.61 2kuf s ASP 565 N -3.41 7.30 0.00 2.53 2.15 -1.26 -4.74 116.67 119.24 2kuf s ASP 565 Ca 0.65 1.86 0.00 0.00 0.43 0.00 0.00 52.55 55.49 2kuf s ASP 565 Cb -0.19 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 2kuf s ASP 565 CO 0.58 -0.26 0.80 0.00 -0.17 0.00 0.00 175.17 176.11 2kuf n LEU 566 N 3.37 0.00 -4.79 -1.34 -0.00 -1.26 -5.11 117.00 107.87 2kuf n LEU 566 Ca 0.05 -0.63 -0.35 0.00 -0.00 0.00 0.00 56.01 55.08 2kuf n LEU 566 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 2kuf n LEU 566 CO 0.53 0.17 0.74 -0.94 -0.00 0.00 0.00 177.39 177.89 2kuf s SER 567 N -0.61 6.39 -0.38 1.45 1.04 -1.26 -4.26 113.70 116.07 2kuf s SER 567 Ca 0.00 2.03 -0.02 0.00 0.48 0.00 0.00 55.95 58.45 2kuf s SER 567 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 2kuf s SER 567 CO 0.00 -0.75 0.33 0.61 0.98 0.00 0.00 173.24 174.41 2kuf n GLY 568 N 0.06 0.18 3.24 7.32 0.00 -1.26 -5.06 105.19 109.68 2kuf n GLY 568 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.76 1.20 0.43 1.61 0.23 -1.26 -4.85 119.30 112.91 2kuf s MET 569 Ca 0.12 -1.62 0.03 0.00 -1.03 0.00 0.00 55.69 53.18 2kuf s MET 569 Cb -0.02 -0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.25 2kuf s MET 569 CO 0.26 -0.28 0.62 -0.06 -2.03 0.00 0.00 175.02 173.54 2kuf s PHE 570 N -3.89 3.12 0.37 3.16 0.40 -1.26 0.17 117.98 120.04 2kuf s PHE 570 Ca 0.33 0.03 0.15 0.00 -0.60 0.00 0.00 56.93 56.84 2kuf s PHE 570 Cb 0.07 -2.29 0.83 0.00 0.51 0.00 0.00 43.02 42.14 2kuf s PHE 570 CO 0.09 -0.34 1.86 2.35 0.70 0.00 0.00 175.22 179.88 2kuf h TRP 571 N 0.50 0.00 0.00 0.36 2.91 -1.95 0.26 115.95 118.03 2kuf h TRP 571 Ca -0.45 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.53 2kuf h TRP 571 Cb 1.26 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.91 2kuf h TRP 571 CO 0.43 0.33 -0.17 -0.24 -1.03 0.00 0.00 178.44 177.76 2kuf h VAL 572 N 0.00 0.40 0.02 2.65 3.04 -1.97 -2.47 116.25 117.93 2kuf h VAL 572 Ca -0.00 -0.99 -0.36 0.00 -1.01 0.00 0.00 66.70 64.34 2kuf h VAL 572 Cb 0.61 1.73 -0.06 0.00 -2.01 0.00 0.00 31.29 31.57 2kuf h VAL 572 CO 0.04 0.16 -2.18 -0.67 -1.01 0.00 0.00 177.57 173.91 2kuf n ASP 573 N -3.30 1.08 0.04 3.17 2.03 -0.85 -4.43 116.55 114.29 2kuf n ASP 573 Ca 0.00 0.10 -0.11 0.00 0.52 0.00 0.00 54.79 55.31 2kuf n ASP 573 Cb 0.41 0.06 -0.04 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.58 -0.24 0.04 -1.67 0.00 -0.11 -2.12 119.26 115.75 2kuf h ALA 574 Ca -0.47 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2kuf h ALA 574 Cb 2.07 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 20.19 2kuf h ALA 574 CO 0.02 -0.69 -0.30 0.93 0.00 0.00 0.00 179.25 179.21 2kuf h GLU 575 N -0.31 -0.45 0.00 0.00 5.08 -1.67 0.46 114.58 117.68 2kuf h GLU 575 Ca 0.07 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2kuf h GLU 575 Cb 0.41 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2kuf h GLU 575 CO -0.21 -0.30 -0.07 -1.35 -1.00 0.00 0.00 179.01 176.07 2kuf h PRO 576 N -0.47 0.00 -0.26 2.33 0.11 -1.79 -2.06 132.00 129.86 2kuf h PRO 576 Ca 0.05 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 2kuf h PRO 576 Cb 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2kuf h PRO 576 CO -0.23 0.07 -0.29 0.00 -0.21 0.00 0.00 178.00 177.35 2kuf h ARG 577 N 0.00 0.52 -0.10 1.05 2.47 -0.42 -1.72 114.38 116.18 2kuf h ARG 577 Ca -0.00 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 2kuf h ARG 577 Cb 0.15 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2kuf h ARG 577 CO 0.01 0.76 0.07 -0.07 0.56 0.00 0.00 179.97 181.30 2kuf h LEU 578 N 0.45 0.12 -0.55 3.04 3.38 -0.23 0.29 115.31 121.82 2kuf h LEU 578 Ca 0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2kuf h LEU 578 Cb 0.74 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2kuf h LEU 578 CO 0.06 0.10 -0.03 0.08 0.09 0.00 0.00 178.44 178.74 2kuf h ARG 579 N 0.13 0.99 0.00 1.13 0.11 -1.57 0.17 114.38 115.33 2kuf h ARG 579 Ca 0.04 -0.33 -0.03 0.00 0.10 0.00 0.00 59.98 59.76 2kuf h ARG 579 Cb -0.00 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 30.99 2kuf h ARG 579 CO -0.01 1.00 -0.14 0.00 0.10 0.00 0.00 179.97 180.92 2kuf h ALA 580 N 0.95 1.14 -0.00 0.08 0.00 -0.76 -0.98 119.26 119.68 2kuf h ALA 580 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kuf h ALA 580 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kuf h ALA 580 CO 0.03 0.18 -0.54 -0.11 0.00 0.00 0.00 179.25 178.81 2kuf n LEU 581 N -3.46 0.70 -0.48 0.00 7.94 0.97 -4.95 117.00 117.71 2kuf n LEU 581 Ca -0.01 -0.14 -0.06 0.00 -1.11 0.00 0.00 56.01 54.70 2kuf n LEU 581 Cb 0.31 -0.19 -0.02 0.00 0.53 0.00 0.00 43.42 44.05 2kuf n LEU 581 CO 0.30 0.16 -0.06 0.61 -1.11 0.00 0.00 177.39 177.30 2kuf n GLY 582 N 1.47 0.65 3.69 -3.96 0.00 -0.37 -5.00 105.19 101.67 2kuf n GLY 582 Ca 0.06 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.23 3.49 -0.56 1.61 -0.00 0.46 -4.95 118.94 116.77 2kuf s TRP 583 Ca 0.00 1.13 0.21 0.00 -0.00 0.00 0.00 56.10 57.44 2kuf s TRP 583 Cb 0.00 -2.81 -0.28 0.00 -0.00 0.00 0.00 33.47 30.38 2kuf s TRP 583 CO 0.00 -0.02 0.71 0.25 -0.00 0.00 0.00 176.95 177.89 2kuf n THR 584 N 4.15 0.00 -0.01 5.86 -2.24 -1.26 -4.35 114.28 116.43 2kuf n THR 584 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2kuf n THR 584 Cb 0.51 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.39 -0.62 3.46 3.38 0.00 -0.69 -5.05 105.19 107.07 2kuf n GLY 585 Ca 0.00 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 0.02 2.53 -0.68 1.61 -1.94 -1.26 -5.01 119.30 114.55 2kuf s MET 586 Ca 0.00 -0.71 -0.27 0.00 -1.71 0.00 0.00 55.69 53.00 2kuf s MET 586 Cb 0.00 -2.37 0.03 0.00 2.01 0.00 0.00 34.83 34.50 2kuf s MET 586 CO 0.00 0.60 1.23 -1.17 -0.01 0.00 0.00 175.02 175.67 2kuf s LEU 587 N -0.67 3.35 -0.31 -0.03 2.96 -1.26 -4.01 118.68 118.70 2kuf s LEU 587 Ca 0.10 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 2kuf s LEU 587 Cb -0.11 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 2kuf s LEU 587 CO 0.01 -1.70 0.26 -0.62 -1.32 0.00 0.00 176.35 172.98 2kuf s ASP 588 N 3.49 6.09 -0.06 3.68 2.15 -1.00 -5.02 116.67 126.00 2kuf s ASP 588 Ca 0.36 -0.17 -0.18 0.00 0.43 0.00 0.00 52.55 52.99 2kuf s ASP 588 Cb -0.09 -2.15 -0.05 0.00 -0.30 0.00 0.00 42.92 40.34 2kuf s ASP 588 CO 0.18 -0.19 0.50 -1.59 -0.17 0.00 0.00 175.17 173.90 2kuf s LYS 589 N 1.83 4.25 0.00 4.34 0.00 -1.25 -0.41 119.74 128.50 2kuf s LYS 589 Ca 0.08 0.53 0.00 0.00 0.00 0.00 0.00 55.97 56.58 2kuf s LYS 589 Cb -0.17 -3.37 0.00 0.00 0.00 0.00 0.00 37.83 34.30 2kuf s LYS 589 CO 0.11 0.32 0.24 0.41 0.00 0.00 0.00 175.35 176.43 2kuf n GLY 590 N 2.74 -0.65 2.90 0.59 0.00 0.13 -4.86 105.19 106.05 2kuf n GLY 590 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2kuf n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kuf s ALA 591 N -3.13 0.01 -0.15 4.61 0.00 -1.26 -5.05 121.76 116.79 2kuf s ALA 591 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 2kuf s ALA 591 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 2kuf s ALA 591 CO 0.00 -0.04 1.02 -0.51 0.00 0.00 0.00 175.76 176.23 2kuf s ASP 592 N -0.33 7.19 -0.19 0.00 1.01 -1.26 -3.93 116.67 119.16 2kuf s ASP 592 Ca -0.04 1.49 -0.07 0.00 0.71 0.00 0.00 52.55 54.64 2kuf s ASP 592 Cb -0.02 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2kuf s ASP 592 CO -0.00 -0.53 0.05 -0.69 0.21 0.00 0.00 175.17 174.21 2kuf s VAL 593 N 2.42 4.61 -0.27 -1.27 1.01 -0.88 -4.90 120.40 121.12 2kuf s VAL 593 Ca 0.47 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2kuf s VAL 593 Cb -0.17 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2kuf s VAL 593 CO 0.14 0.44 1.51 -1.81 0.00 0.00 0.00 175.10 175.38 2kuf s ASP 594 N 0.58 6.43 0.00 3.32 1.01 -1.26 0.39 116.67 127.14 2kuf s ASP 594 Ca 0.03 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.67 2kuf s ASP 594 Cb -0.13 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2kuf s ASP 594 CO 0.01 -1.26 0.00 0.00 0.21 0.00 0.00 175.17 174.14 2kuf n ALA 595 N 8.37 2.43 0.00 5.23 0.00 0.11 -4.83 120.51 131.82 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 0.46 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 2.88 2.40 0.29 0.00 0.00 0.21 -4.74 105.19 106.23 2kuf n GLY 596 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.85 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 0.50 2.00 -0.02 0.00 -1.95 -1.89 103.07 101.71 2kuf h GLY 597 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2kuf h GLY 597 CO 0.00 0.21 -0.15 0.23 0.00 0.00 0.00 176.54 176.83 2kuf h SER 598 N 0.47 0.00 0.07 0.19 0.87 -1.98 -1.99 113.55 111.18 2kuf h SER 598 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2kuf h SER 598 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2kuf h SER 598 CO -0.02 0.15 -0.05 0.00 -0.53 0.00 0.00 176.83 176.39 2kuf n GLN 599 N -3.32 1.28 -2.17 2.24 1.13 -0.71 -4.92 117.38 110.90 2kuf n GLN 599 Ca 0.00 -0.60 -0.03 0.00 -1.94 0.00 0.00 57.00 54.43 2kuf n GLN 599 Cb 0.38 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 -0.34 -1.86 -2.52 1.08 8.25 -0.75 -4.89 115.22 114.19 2kuf n HIS 600 Ca 0.19 0.77 -0.42 0.00 -0.26 0.00 0.00 57.72 58.00 2kuf n HIS 600 Cb 0.29 -2.82 -0.00 0.00 1.12 0.00 0.00 29.99 28.58 2kuf n HIS 600 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2kuf n ASN 601 N -0.20 4.80 -4.76 0.41 6.94 -1.21 -4.94 115.26 116.30 2kuf n ASN 601 Ca 0.05 -2.90 -0.25 0.00 -0.02 0.00 0.00 54.58 51.45 2kuf n ASN 601 Cb 0.17 -1.75 0.09 0.00 -2.36 0.00 0.00 39.78 35.94 2kuf n ASN 601 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kuf s ARG 602 N 4.31 1.89 0.20 -3.83 0.52 -1.26 -4.25 118.95 116.53 2kuf s ARG 602 Ca 0.55 -0.60 -0.32 0.00 -0.52 0.00 0.00 55.73 54.84 2kuf s ARG 602 Cb 0.04 -2.22 -0.12 0.00 0.52 0.00 0.00 34.95 33.17 2kuf s ARG 602 CO 0.08 -1.38 1.68 0.28 0.02 0.00 0.00 175.30 175.98 2kuf n VAL 603 N -2.92 0.08 -0.09 3.52 0.31 0.13 -0.78 118.33 118.57 2kuf n VAL 603 Ca 0.11 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.33 2kuf n VAL 603 Cb 0.60 -1.87 -0.15 0.00 -0.91 0.00 0.00 33.84 31.52 2kuf n VAL 603 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2kuf n VAL 604 N 3.69 1.27 -3.65 2.52 0.24 -0.13 -4.05 118.33 118.21 2kuf n VAL 604 Ca 0.16 -0.79 -0.15 0.00 -2.04 0.00 0.00 64.34 61.52 2kuf n VAL 604 Cb 0.33 -0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.46 -0.55 -0.00 6.34 5.04 -1.01 -5.02 117.35 119.69 2kuf s TYR 605 Ca -0.09 1.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.74 2kuf s TYR 605 Cb 0.06 0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.60 2kuf s TYR 605 CO 0.77 -0.40 -0.07 1.14 -1.34 0.00 0.00 175.55 175.65 2kuf s GLN 606 N -0.40 0.53 0.01 4.97 -2.07 -1.26 -0.10 119.66 121.33 2kuf s GLN 606 Ca -0.05 -0.27 -0.25 0.00 -1.82 0.00 0.00 55.36 52.96 2kuf s GLN 606 Cb -0.03 -0.50 -0.16 0.00 -1.09 0.00 0.00 33.01 31.23 2kuf s GLN 606 CO 0.04 0.13 1.26 -0.97 -1.32 0.00 0.00 175.29 174.43 2kuf h ASN 607 N 5.88 -0.38 -3.31 12.60 -0.73 -1.82 -3.42 115.58 124.39 2kuf h ASN 607 Ca -0.29 -0.15 -0.59 0.00 1.87 0.00 0.00 56.30 57.13 2kuf h ASN 607 Cb 1.19 0.10 -0.09 0.00 0.27 0.00 0.00 38.32 39.79 2kuf h ASN 607 CO 0.49 -0.03 0.49 -2.84 -0.37 0.00 0.00 177.43 175.17 2kuf s PRO 608 N -4.77 4.13 0.77 6.67 0.02 -1.26 -5.05 135.00 135.51 2kuf s PRO 608 Ca -0.14 0.89 -0.11 0.00 0.02 0.00 0.00 61.00 61.66 2kuf s PRO 608 Cb 0.02 -3.67 0.05 0.00 0.02 0.00 0.00 34.50 30.93 2kuf s PRO 608 CO 0.54 -0.58 1.08 -2.14 -0.33 0.00 0.00 177.00 175.58 2kuf s PRO 609 N 2.93 2.28 0.22 5.54 0.02 -1.26 -4.97 135.00 139.77 2kuf s PRO 609 Ca 0.35 1.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.13 2kuf s PRO 609 Cb -0.15 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 2kuf s PRO 609 CO 0.09 -1.59 1.35 0.00 -0.33 0.00 0.00 177.00 176.52 2kuf s ALA 610 N -2.95 3.56 0.00 -1.55 0.00 -1.26 -2.15 121.76 117.41 2kuf s ALA 610 Ca 0.61 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2kuf s ALA 610 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2kuf s ALA 610 CO 0.56 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2kuf n GLY 611 N 2.22 1.81 3.87 0.00 0.00 0.29 -4.96 105.19 108.41 2kuf n GLY 611 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.37 5.01 0.04 2.61 2.01 -0.91 -4.68 115.64 117.34 2kuf s THR 612 Ca 0.00 0.50 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 2kuf s THR 612 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2kuf s THR 612 CO 0.00 0.17 1.04 -0.83 -0.69 0.00 0.00 174.62 174.31 2kuf s GLY 613 N -1.97 2.79 -0.01 4.40 0.00 -1.26 -0.70 107.32 110.57 2kuf s GLY 613 Ca 0.38 0.64 0.05 0.00 0.00 0.00 0.00 44.72 45.80 2kuf s GLY 613 CO 0.20 1.75 -0.15 -1.34 0.00 0.00 0.00 173.10 173.56 2kuf s VAL 614 N 0.82 2.99 1.10 1.40 -7.23 0.39 -4.80 120.40 115.07 2kuf s VAL 614 Ca 0.53 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 59.62 2kuf s VAL 614 Cb -0.24 -2.21 0.12 0.00 0.56 0.00 0.00 36.38 34.61 2kuf s VAL 614 CO 0.29 0.49 0.02 -0.46 -0.31 0.00 0.00 175.10 175.13 2kuf n ASN 615 N 1.99 -2.66 0.10 4.85 6.94 -1.26 -0.59 115.26 124.62 2kuf n ASN 615 Ca -0.17 -0.23 0.19 0.00 -0.02 0.00 0.00 54.58 54.36 2kuf n ASN 615 Cb 0.52 -0.87 0.75 0.00 -2.36 0.00 0.00 39.78 37.82 2kuf n ASN 615 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 2kuf h ARG 616 N -2.25 0.00 -0.01 -3.83 0.11 -0.83 0.50 114.38 108.07 2kuf h ARG 616 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2kuf h ARG 616 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2kuf h ARG 616 CO 0.30 0.00 -0.48 -0.25 0.10 0.00 0.00 179.97 179.64 2kuf n ASP 617 N -3.96 1.26 -1.00 0.08 9.92 -1.26 -4.87 116.55 116.71 2kuf n ASP 617 Ca 0.06 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.19 2kuf n ASP 617 Cb 0.52 0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 41.34 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 1.42 1.37 3.65 0.44 0.00 0.17 -1.70 105.19 110.55 2kuf n GLY 618 Ca 0.09 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2kuf n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kuf s ILE 619 N -2.43 3.88 -0.05 -0.61 -1.16 -1.26 -4.86 121.20 114.72 2kuf s ILE 619 Ca 0.00 1.05 0.04 0.00 -0.51 0.00 0.00 60.65 61.23 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 -0.13 -0.18 0.27 -2.81 0.00 0.00 174.94 172.09 2kuf s ILE 620 N 4.00 1.48 -0.24 2.00 -4.36 -1.26 -4.84 121.20 117.99 2kuf s ILE 620 Ca 0.66 -0.74 -0.10 0.00 -0.26 0.00 0.00 60.65 60.20 2kuf s ILE 620 Cb -0.27 -1.27 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 2kuf s ILE 620 CO 0.24 0.42 0.15 0.28 0.24 0.00 0.00 174.94 176.27 2kuf s THR 621 N 0.05 5.31 0.14 8.37 -1.32 -1.26 -2.38 115.64 124.56 2kuf s THR 621 Ca -0.05 0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 2kuf s THR 621 Cb -0.12 -3.47 -0.04 0.00 -1.51 0.00 0.00 72.50 67.36 2kuf s THR 621 CO 0.02 0.36 0.05 -1.48 -2.21 0.00 0.00 174.62 171.36 2kuf s LEU 622 N 1.00 1.82 -0.01 9.08 2.34 0.46 -2.12 118.68 131.25 2kuf s LEU 622 Ca 0.07 -1.21 0.04 0.00 0.06 0.00 0.00 54.13 53.10 2kuf s LEU 622 Cb -0.13 0.25 -0.01 0.00 -0.56 0.00 0.00 46.19 45.74 2kuf s LEU 622 CO 0.04 -0.71 -0.15 0.00 -1.06 0.00 0.00 176.35 174.47 2kuf s ARG 623 N -4.03 1.18 0.23 1.48 1.70 0.85 0.22 118.95 120.57 2kuf s ARG 623 Ca 0.24 -0.52 0.04 0.00 -0.47 0.00 0.00 55.73 55.02 2kuf s ARG 623 Cb 0.07 -1.14 -0.05 0.00 -0.57 0.00 0.00 34.95 33.26 2kuf s ARG 623 CO 0.02 0.31 -0.01 -0.59 -1.08 0.00 0.00 175.30 173.95 2kuf s PHE 624 N -0.35 1.55 0.30 5.89 -0.71 -1.25 -0.96 117.98 122.46 2kuf s PHE 624 Ca 0.06 -0.90 -0.28 0.00 -1.04 0.00 0.00 56.93 54.76 2kuf s PHE 624 Cb -0.06 -0.89 -0.09 0.00 -1.21 0.00 0.00 43.02 40.77 2kuf s PHE 624 CO -0.01 -0.02 1.02 0.20 -1.34 0.00 0.00 175.22 175.08 2kuf s GLY 625 N -3.30 2.97 0.00 1.99 0.00 0.04 -2.08 107.32 106.95 2kuf s GLY 625 Ca 0.28 0.72 0.13 0.00 0.00 0.00 0.00 44.72 45.85 2kuf s GLY 625 CO 0.08 1.26 0.92 -0.18 0.00 0.00 0.00 173.10 175.18