#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 2.75 -0.09 1.61 0.04 -1.26 -4.97 135.00 133.08 2kuf s PRO 492 Ca 0.00 1.46 0.14 0.00 0.04 0.00 0.00 61.00 62.65 2kuf s PRO 492 Cb 0.00 -1.94 -0.21 0.00 0.04 0.00 0.00 34.50 32.39 2kuf s PRO 492 CO 0.00 -1.31 0.19 0.00 0.04 0.00 0.00 177.00 175.92 2kuf n ALA 493 N -2.37 2.06 -2.51 8.56 0.00 -1.26 -4.80 120.51 120.19 2kuf n ALA 493 Ca 0.11 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 2kuf n ALA 493 Cb 0.52 -0.28 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.69 0.55 -0.14 0.00 -4.23 -1.26 -0.52 115.64 107.34 2kuf s THR 494 Ca -0.07 -1.49 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 2kuf s THR 494 Cb 0.07 -1.11 0.04 0.00 1.34 0.00 0.00 72.50 72.83 2kuf s THR 494 CO 0.63 -0.65 0.38 -0.75 -0.54 0.00 0.00 174.62 173.69 2kuf s LYS 495 N -2.72 0.44 0.01 3.99 2.36 0.96 -4.69 119.74 120.10 2kuf s LYS 495 Ca 0.00 0.53 -0.30 0.00 -2.55 0.00 0.00 55.97 53.65 2kuf s LYS 495 Cb -0.02 0.21 -0.04 0.00 -1.05 0.00 0.00 37.83 36.93 2kuf s LYS 495 CO -0.03 -0.06 1.05 0.16 1.55 0.00 0.00 175.35 178.03 2kuf s ASP 496 N 0.24 7.27 -0.18 1.43 -4.77 -1.26 -0.67 116.67 118.74 2kuf s ASP 496 Ca -0.00 1.76 -0.10 0.00 -3.30 0.00 0.00 52.55 50.91 2kuf s ASP 496 Cb -0.03 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.18 2kuf s ASP 496 CO 0.00 -0.33 0.17 0.27 0.70 0.00 0.00 175.17 175.98 2kuf s ILE 497 N 1.08 5.39 0.86 2.11 -4.36 -1.07 -4.73 121.20 120.50 2kuf s ILE 497 Ca 0.54 0.28 -0.11 0.00 -0.26 0.00 0.00 60.65 61.10 2kuf s ILE 497 Cb -0.23 -3.50 0.12 0.00 1.25 0.00 0.00 42.46 40.09 2kuf s ILE 497 CO 0.28 0.46 1.16 -2.84 0.24 0.00 0.00 174.94 174.24 2kuf s PRO 498 N 0.16 1.32 -0.41 0.37 0.02 -1.26 -0.29 135.00 134.91 2kuf s PRO 498 Ca 0.11 1.60 -0.27 0.00 0.02 0.00 0.00 61.00 62.46 2kuf s PRO 498 Cb -0.12 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.67 2kuf s PRO 498 CO 0.00 -2.42 1.02 0.16 -0.33 0.00 0.00 177.00 175.44 2kuf s ASP 499 N -2.53 6.68 0.00 2.53 -4.77 -1.26 -4.48 116.67 112.84 2kuf s ASP 499 Ca 0.69 0.56 0.03 0.00 -3.30 0.00 0.00 52.55 50.52 2kuf s ASP 499 Cb -0.24 -2.50 0.03 0.00 -1.09 0.00 0.00 42.92 39.11 2kuf s ASP 499 CO 0.55 -1.02 0.64 1.33 0.70 0.00 0.00 175.17 177.38 2kuf n VAL 500 N 6.30 0.09 -2.04 2.11 0.24 -1.26 -4.96 118.33 118.82 2kuf n VAL 500 Ca 0.09 -0.55 -0.39 0.00 -2.04 0.00 0.00 64.34 61.46 2kuf n VAL 500 Cb 0.48 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.33 2.23 0.00 2.33 0.00 -1.26 -1.28 121.76 123.45 2kuf s ALA 501 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2kuf s ALA 501 Cb 0.03 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2kuf s ALA 501 CO 0.04 -3.78 0.00 0.41 0.00 0.00 0.00 175.76 172.43 2kuf n GLY 502 N 5.67 0.74 3.26 0.00 0.00 -0.99 -4.97 105.19 108.90 2kuf n GLY 502 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 2kuf n GLY 502 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kuf n GLN 503 N 0.00 -0.90 -2.15 1.61 1.13 -0.41 -4.83 117.38 111.83 2kuf n GLN 503 Ca 0.00 -1.83 -0.32 0.00 -1.94 0.00 0.00 57.00 52.91 2kuf n GLN 503 Cb 0.00 -1.05 -0.01 0.00 0.11 0.00 0.00 30.24 29.29 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2kuf s THR 504 N -3.30 4.41 0.21 5.09 2.01 -1.26 -1.65 115.64 121.15 2kuf s THR 504 Ca 0.62 1.04 -0.10 0.00 0.31 0.00 0.00 61.69 63.56 2kuf s THR 504 Cb -0.02 -3.67 0.16 0.00 0.01 0.00 0.00 72.50 68.98 2kuf s THR 504 CO 0.43 -0.77 1.88 1.62 -0.69 0.00 0.00 174.62 177.09 2kuf h VAL 505 N 0.43 1.20 -0.47 3.82 3.04 -1.03 0.34 116.25 123.58 2kuf h VAL 505 Ca -0.46 -0.37 -0.05 0.00 -1.01 0.00 0.00 66.70 64.81 2kuf h VAL 505 Cb 1.19 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 2kuf h VAL 505 CO 0.60 0.19 0.11 -0.78 -1.01 0.00 0.00 177.57 176.69 2kuf h ASP 506 N 1.03 0.72 -0.43 3.17 3.58 -1.93 -1.17 116.42 121.39 2kuf h ASP 506 Ca 0.28 -0.24 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2kuf h ASP 506 Cb -0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 2kuf h ASP 506 CO -0.06 0.77 -0.19 0.58 -2.88 0.00 0.00 179.24 177.45 2kuf h VAL 507 N 0.63 1.27 -0.42 2.25 2.07 -1.80 -1.64 116.25 118.61 2kuf h VAL 507 Ca 0.15 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2kuf h VAL 507 Cb 0.34 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2kuf h VAL 507 CO 0.00 0.46 0.20 0.00 0.02 0.00 0.00 177.57 178.25 2kuf h ALA 508 N 0.96 0.54 -0.29 1.67 0.00 -0.12 0.12 119.26 122.13 2kuf h ALA 508 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kuf h ALA 508 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kuf h ALA 508 CO 0.06 0.10 0.15 1.96 0.00 0.00 0.00 179.25 181.52 2kuf h GLN 509 N 0.53 0.41 -0.44 0.00 4.20 -0.83 -0.11 115.11 118.88 2kuf h GLN 509 Ca 0.14 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 2kuf h GLN 509 Cb 0.12 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2kuf h GLN 509 CO -0.02 0.38 -0.17 1.57 -0.67 0.00 0.00 178.83 179.92 2kuf h LYS 510 N 0.34 0.85 0.00 1.46 5.09 -1.18 -1.76 116.57 121.38 2kuf h LYS 510 Ca 0.10 -0.32 -0.00 0.00 0.09 0.00 0.00 60.65 60.52 2kuf h LYS 510 Cb 0.10 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.38 2kuf h LYS 510 CO -0.01 0.96 -0.00 -0.91 -2.09 0.00 0.00 179.45 177.39 2kuf h ASN 511 N 0.75 -0.00 -0.12 7.07 4.21 -0.31 -0.28 115.58 126.90 2kuf h ASN 511 Ca 0.11 -0.04 -0.12 0.00 1.21 0.00 0.00 56.30 57.47 2kuf h ASN 511 Cb 0.69 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 2kuf h ASN 511 CO 0.05 0.03 -0.32 0.17 -1.29 0.00 0.00 177.43 176.08 2kuf h LEU 512 N -0.04 0.63 -0.69 1.61 8.10 -1.02 -3.11 115.31 120.78 2kuf h LEU 512 Ca -0.00 -0.25 -0.13 0.00 0.11 0.00 0.00 57.88 57.61 2kuf h LEU 512 Cb 0.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.08 2kuf h LEU 512 CO 0.00 0.90 -0.44 -1.13 -4.11 0.00 0.00 178.44 173.67 2kuf h ASN 513 N 0.52 0.53 -0.35 0.17 -0.73 -0.93 0.10 115.58 114.88 2kuf h ASN 513 Ca 0.06 -0.24 0.08 0.00 1.87 0.00 0.00 56.30 58.07 2kuf h ASN 513 Cb 0.80 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 2kuf h ASN 513 CO 0.07 0.89 0.24 0.58 -0.37 0.00 0.00 177.43 178.84 2kuf h VAL 514 N 0.40 0.89 0.00 2.57 2.07 -0.98 0.26 116.25 121.46 2kuf h VAL 514 Ca 0.03 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2kuf h VAL 514 Cb 0.93 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2kuf h VAL 514 CO 0.08 0.02 -0.46 -1.22 0.02 0.00 0.00 177.57 176.01 2kuf n TYR 515 N -4.46 0.00 0.12 1.57 4.01 -0.87 -4.78 117.16 112.75 2kuf n TYR 515 Ca 0.05 -1.45 0.00 0.00 -0.16 0.00 0.00 57.90 56.34 2kuf n TYR 515 Cb 0.33 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.13 -0.59 2.70 2.72 0.00 0.30 -4.75 105.19 104.44 2kuf n GLY 516 Ca 0.19 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.18 -1.47 -1.93 1.61 3.72 0.80 -4.96 117.46 112.05 2kuf n PHE 517 Ca 0.00 0.33 -0.04 0.00 -0.05 0.00 0.00 57.45 57.69 2kuf n PHE 517 Cb 0.00 -3.91 0.02 0.00 -0.94 0.00 0.00 39.48 34.66 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 -4.26 0.00 -4.59 4.37 -2.24 -1.26 -4.98 114.28 101.32 2kuf n THR 518 Ca -0.13 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 2kuf n THR 518 Cb 0.62 -1.50 -0.11 0.00 -2.10 0.00 0.00 70.33 67.24 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 -2.98 2.55 0.05 -0.78 1.02 -1.24 -4.99 119.74 113.37 2kuf s LYS 519 Ca 0.10 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.44 2kuf s LYS 519 Cb -0.00 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 2kuf s LYS 519 CO 0.07 0.62 -0.12 -0.59 -0.92 0.00 0.00 175.35 174.41 2kuf s PHE 520 N -0.90 1.01 0.11 3.18 -0.12 -1.26 -0.21 117.98 119.80 2kuf s PHE 520 Ca 0.15 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.63 2kuf s PHE 520 Cb -0.11 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.66 2kuf s PHE 520 CO 0.05 0.01 -0.09 -1.12 -0.05 0.00 0.00 175.22 174.01 2kuf s SER 521 N -1.51 1.51 -0.10 1.98 0.01 0.11 -4.88 113.70 110.81 2kuf s SER 521 Ca -0.04 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.33 2kuf s SER 521 Cb -0.09 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.17 2kuf s SER 521 CO 0.01 -0.32 -0.15 0.00 0.41 0.00 0.00 173.24 173.20 2kuf s GLN 522 N -3.28 2.11 0.02 12.44 -2.07 -1.26 -0.17 119.66 127.45 2kuf s GLN 522 Ca 0.10 -0.53 0.07 0.00 -1.82 0.00 0.00 55.36 53.18 2kuf s GLN 522 Cb 0.00 -1.77 -0.02 0.00 -1.09 0.00 0.00 33.01 30.13 2kuf s GLN 522 CO -0.01 -0.02 -0.21 0.00 -1.32 0.00 0.00 175.29 173.73 2kuf s ALA 523 N 0.87 1.78 -0.11 2.60 0.00 0.16 -4.93 121.76 122.14 2kuf s ALA 523 Ca -0.09 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 2kuf s ALA 523 Cb -0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2kuf s ALA 523 CO 0.01 0.41 0.08 -1.54 0.00 0.00 0.00 175.76 174.72 2kuf s SER 524 N -0.96 5.92 0.08 0.00 1.04 -1.26 0.18 113.70 118.70 2kuf s SER 524 Ca 0.08 0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.89 2kuf s SER 524 Cb -0.09 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 2kuf s SER 524 CO 0.01 0.40 -0.13 0.54 0.98 0.00 0.00 173.24 175.03 2kuf s VAL 525 N -0.96 1.09 0.06 5.02 0.11 0.63 -4.86 120.40 121.48 2kuf s VAL 525 Ca 0.14 -1.41 -0.22 0.00 -2.93 0.00 0.00 61.98 57.57 2kuf s VAL 525 Cb -0.12 -1.16 -0.06 0.00 -1.53 0.00 0.00 36.38 33.51 2kuf s VAL 525 CO 0.03 -0.31 0.65 1.51 -3.33 0.00 0.00 175.10 173.65 2kuf s ASP 526 N -1.95 7.12 0.11 3.54 -4.77 -1.26 -0.24 116.67 119.22 2kuf s ASP 526 Ca 0.00 1.33 -0.25 0.00 -3.30 0.00 0.00 52.55 50.33 2kuf s ASP 526 Cb -0.08 -2.41 0.07 0.00 -1.09 0.00 0.00 42.92 39.41 2kuf s ASP 526 CO 0.02 0.15 0.62 -0.44 0.70 0.00 0.00 175.17 176.23 2kuf s SER 527 N -0.59 -0.59 0.00 2.11 0.01 0.01 -4.85 113.70 109.80 2kuf s SER 527 Ca 0.33 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.82 2kuf s SER 527 Cb -0.20 0.58 0.35 0.00 0.21 0.00 0.00 66.02 66.96 2kuf s SER 527 CO 0.20 -0.88 0.76 -0.81 0.41 0.00 0.00 173.24 172.92 2kuf n PRO 528 N -0.06 0.23 -3.68 12.44 -0.04 -1.26 -3.32 135.00 139.31 2kuf n PRO 528 Ca -0.17 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.94 2kuf n PRO 528 Cb 0.63 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kuf s ARG 529 N -2.00 3.67 0.55 0.54 3.00 -1.26 -4.87 118.95 118.57 2kuf s ARG 529 Ca 0.09 0.05 -0.22 0.00 0.00 0.00 0.00 55.73 55.65 2kuf s ARG 529 Cb 0.04 -3.07 -0.05 0.00 0.00 0.00 0.00 34.95 31.87 2kuf s ARG 529 CO 0.07 0.63 1.35 -2.14 0.00 0.00 0.00 175.30 175.20 2kuf s PRO 530 N -1.72 3.13 -0.15 3.54 0.02 -1.26 -2.00 135.00 136.56 2kuf s PRO 530 Ca 0.28 2.21 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 2kuf s PRO 530 Cb -0.14 -2.24 -0.07 0.00 0.02 0.00 0.00 34.50 32.07 2kuf s PRO 530 CO 0.16 -1.19 2.13 0.00 -0.33 0.00 0.00 177.00 177.77 2kuf n ALA 531 N -1.06 1.59 0.00 -1.55 0.00 -1.08 -2.47 120.51 115.94 2kuf n ALA 531 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kuf n ALA 531 Cb 0.45 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 5.40 1.18 3.78 0.00 0.00 -1.10 -4.99 105.19 109.45 2kuf n GLY 532 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 4.51 -0.35 1.61 2.12 -1.03 -0.46 118.70 125.10 2kuf s GLU 533 Ca 0.00 1.34 -0.18 0.00 0.36 0.00 0.00 54.97 56.50 2kuf s GLU 533 Cb 0.00 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.66 2kuf s GLU 533 CO 0.00 0.21 0.48 0.54 -0.54 0.00 0.00 175.26 175.95 2kuf s VAL 534 N -1.66 5.05 0.41 3.70 0.11 -0.66 0.26 120.40 127.61 2kuf s VAL 534 Ca 0.52 0.28 0.11 0.00 -2.93 0.00 0.00 61.98 59.96 2kuf s VAL 534 Cb -0.18 -3.94 0.16 0.00 -1.53 0.00 0.00 36.38 30.89 2kuf s VAL 534 CO 0.24 -0.19 1.94 0.74 -3.33 0.00 0.00 175.10 174.49 2kuf h THR 535 N 5.60 1.17 0.00 5.04 2.02 -0.69 -2.62 112.91 123.42 2kuf h THR 535 Ca -0.28 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2kuf h THR 535 Cb 1.13 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2kuf h THR 535 CO 0.76 0.23 0.00 0.61 0.37 0.00 0.00 175.52 177.48 2kuf n GLY 536 N -0.91 -0.43 3.51 2.16 0.00 -1.22 -4.81 105.19 103.48 2kuf n GLY 536 Ca -0.01 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.70 2.85 0.04 2.61 -4.23 -1.26 -0.12 115.64 112.83 2kuf s THR 537 Ca 0.00 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 58.53 2kuf s THR 537 Cb 0.00 -2.38 -0.15 0.00 1.34 0.00 0.00 72.50 71.32 2kuf s THR 537 CO 0.00 -0.07 1.42 -1.13 -0.54 0.00 0.00 174.62 174.30 2kuf h ASN 538 N 3.16 0.21 -3.10 3.99 -1.24 -1.62 -3.41 115.58 113.58 2kuf h ASN 538 Ca -0.47 -0.37 -0.53 0.00 0.71 0.00 0.00 56.30 55.64 2kuf h ASN 538 Cb 1.20 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 40.20 2kuf h ASN 538 CO 0.51 0.53 0.64 -2.84 -1.29 0.00 0.00 177.43 174.98 2kuf s PRO 539 N -4.74 4.38 0.37 6.67 0.02 -1.26 -4.97 135.00 135.46 2kuf s PRO 539 Ca -0.14 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 62.50 2kuf s PRO 539 Cb 0.05 -3.32 -0.11 0.00 0.02 0.00 0.00 34.50 31.13 2kuf s PRO 539 CO 0.71 -0.35 1.44 -0.35 -0.33 0.00 0.00 177.00 178.12 2kuf n PRO 540 N 4.04 2.54 -2.16 5.54 -0.04 -1.26 -4.95 135.00 138.70 2kuf n PRO 540 Ca 0.10 0.89 -0.41 0.00 -0.04 0.00 0.00 63.50 64.04 2kuf n PRO 540 Cb 0.45 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kuf s ALA 541 N -1.11 3.54 0.00 0.55 0.00 -1.26 -2.37 121.76 121.10 2kuf s ALA 541 Ca 0.54 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2kuf s ALA 541 Cb -0.50 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2kuf s ALA 541 CO 0.63 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2kuf n GLY 542 N 1.98 2.53 3.80 0.00 0.00 0.61 -4.90 105.19 109.20 2kuf n GLY 542 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.34 4.73 0.02 2.61 2.01 -1.00 -4.64 115.64 117.02 2kuf s THR 543 Ca 0.00 1.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 2kuf s THR 543 Cb 0.00 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2kuf s THR 543 CO 0.00 0.53 1.23 0.28 -0.69 0.00 0.00 174.62 175.97 2kuf s THR 544 N -0.96 4.02 0.29 -0.82 -1.32 -1.26 -2.59 115.64 113.01 2kuf s THR 544 Ca 0.30 1.43 0.07 0.00 -1.21 0.00 0.00 61.69 62.28 2kuf s THR 544 Cb -0.20 -3.91 -0.06 0.00 -1.51 0.00 0.00 72.50 66.82 2kuf s THR 544 CO 0.19 0.07 -0.06 0.68 -2.21 0.00 0.00 174.62 173.29 2kuf s VAL 545 N 1.55 1.74 0.25 5.08 -7.23 0.16 -4.86 120.40 117.08 2kuf s VAL 545 Ca 0.59 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2kuf s VAL 545 Cb -0.29 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.06 2kuf s VAL 545 CO 0.27 -0.27 1.36 -2.84 -0.31 0.00 0.00 175.10 173.31 2kuf s PRO 546 N -3.71 4.33 0.54 4.82 0.02 -1.26 -0.03 135.00 139.71 2kuf s PRO 546 Ca 0.30 2.19 0.32 0.00 0.02 0.00 0.00 61.00 63.83 2kuf s PRO 546 Cb 0.04 -3.13 1.46 0.00 0.02 0.00 0.00 34.50 32.89 2kuf s PRO 546 CO 0.13 -0.30 2.04 -0.24 -0.33 0.00 0.00 177.00 178.29 2kuf h VAL 547 N 3.48 0.27 0.00 3.83 3.04 -1.08 -1.66 116.25 124.13 2kuf h VAL 547 Ca -0.46 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 2kuf h VAL 547 Cb 1.22 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2kuf h VAL 547 CO 0.74 0.08 -0.27 -0.67 -1.01 0.00 0.00 177.57 176.44 2kuf n ASP 548 N -3.30 0.52 -4.90 3.17 2.03 -1.26 -4.39 116.55 108.42 2kuf n ASP 548 Ca -0.01 0.27 -0.29 0.00 0.52 0.00 0.00 54.79 55.28 2kuf n ASP 548 Cb 0.28 -0.25 -0.04 0.00 -0.72 0.00 0.00 41.12 40.39 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 -3.76 6.47 -0.09 1.67 0.15 -0.63 -4.93 113.70 112.58 2kuf s SER 549 Ca 0.10 0.69 -0.14 0.00 0.70 0.00 0.00 55.95 57.30 2kuf s SER 549 Cb 0.15 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.28 2kuf s SER 549 CO 0.63 -0.12 0.35 0.54 1.20 0.00 0.00 173.24 175.84 2kuf s VAL 550 N -1.94 5.21 -0.14 4.45 0.11 -1.26 -3.62 120.40 123.21 2kuf s VAL 550 Ca 0.43 0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 60.10 2kuf s VAL 550 Cb -0.11 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2kuf s VAL 550 CO 0.27 0.47 0.08 -0.63 -3.33 0.00 0.00 175.10 171.97 2kuf s ILE 551 N -0.24 5.02 -0.25 7.04 1.01 0.71 -4.95 121.20 129.54 2kuf s ILE 551 Ca 0.20 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 2kuf s ILE 551 Cb -0.15 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2kuf s ILE 551 CO 0.08 0.55 0.12 -1.83 0.00 0.00 0.00 174.94 173.86 2kuf s GLU 552 N -0.41 3.84 -0.26 2.79 1.03 -1.26 0.05 118.70 124.49 2kuf s GLU 552 Ca 0.10 -0.38 -0.12 0.00 0.03 0.00 0.00 54.97 54.60 2kuf s GLU 552 Cb -0.12 -3.46 -0.05 0.00 -0.80 0.00 0.00 34.13 29.70 2kuf s GLU 552 CO 0.02 -0.11 0.23 -0.51 -1.33 0.00 0.00 175.26 173.56 2kuf s LEU 553 N 1.48 4.07 -0.13 1.83 1.02 0.75 -1.37 118.68 126.33 2kuf s LEU 553 Ca 0.06 0.14 -0.22 0.00 0.02 0.00 0.00 54.13 54.13 2kuf s LEU 553 Cb -0.15 -2.21 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 2kuf s LEU 553 CO 0.06 -0.04 0.65 -1.10 0.02 0.00 0.00 176.35 175.95 2kuf s GLN 554 N 1.54 4.33 -0.20 1.70 1.11 0.83 -0.66 119.66 128.31 2kuf s GLN 554 Ca 0.10 0.73 -0.15 0.00 0.01 0.00 0.00 55.36 56.05 2kuf s GLN 554 Cb -0.15 -3.50 -0.04 0.00 -1.01 0.00 0.00 33.01 28.31 2kuf s GLN 554 CO 0.08 -0.07 0.36 0.08 0.01 0.00 0.00 175.29 175.76 2kuf s VAL 555 N 1.29 5.23 -0.21 1.09 1.01 0.13 0.06 120.40 129.00 2kuf s VAL 555 Ca 0.33 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 2kuf s VAL 555 Cb -0.17 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2kuf s VAL 555 CO 0.14 0.28 1.16 -0.44 0.00 0.00 0.00 175.10 176.24 2kuf s SER 556 N 0.97 6.99 -0.12 3.32 0.01 0.14 -0.27 113.70 124.74 2kuf s SER 556 Ca 0.17 1.48 -0.02 0.00 1.31 0.00 0.00 55.95 58.89 2kuf s SER 556 Cb -0.14 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2kuf s SER 556 CO 0.07 -0.76 -0.03 -1.59 0.41 0.00 0.00 173.24 171.34 2kuf s LYS 557 N 3.44 3.30 0.62 12.44 -2.85 0.66 -2.64 119.74 134.70 2kuf s LYS 557 Ca 0.50 -0.49 0.34 0.00 -1.00 0.00 0.00 55.97 55.31 2kuf s LYS 557 Cb -0.18 -2.82 1.98 0.00 -2.06 0.00 0.00 37.83 34.75 2kuf s LYS 557 CO 0.12 0.45 2.25 0.78 0.10 0.00 0.00 175.35 179.05 2kuf h GLY 558 N 5.98 0.00 0.00 0.59 0.00 -1.40 0.07 103.07 108.31 2kuf h GLY 558 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2kuf h GLY 558 CO 0.59 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.12 2kuf n ASN 559 N -3.57 -2.78 -4.22 0.19 2.85 -1.26 -4.62 115.26 101.86 2kuf n ASN 559 Ca -0.02 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.22 2kuf n ASN 559 Cb 0.13 -0.90 -0.13 0.00 1.24 0.00 0.00 39.78 40.12 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 -0.31 1.17 0.14 1.20 -0.21 -1.26 -1.28 119.66 119.11 2kuf s GLN 560 Ca 0.00 -0.91 0.09 0.00 0.02 0.00 0.00 55.36 54.56 2kuf s GLN 560 Cb 0.00 -1.27 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 2kuf s GLN 560 CO 0.00 0.32 -0.21 -0.59 -2.12 0.00 0.00 175.29 172.69 2kuf s PHE 561 N -0.89 1.91 0.10 0.91 -0.71 0.37 -4.76 117.98 114.91 2kuf s PHE 561 Ca 0.05 -0.43 -0.31 0.00 -1.04 0.00 0.00 56.93 55.20 2kuf s PHE 561 Cb -0.09 -0.99 -0.11 0.00 -1.21 0.00 0.00 43.02 40.63 2kuf s PHE 561 CO 0.02 0.31 1.86 1.55 -1.34 0.00 0.00 175.22 177.62 2kuf n VAL 562 N 0.62 0.43 -3.42 -2.49 3.14 -1.26 -0.13 118.33 115.21 2kuf n VAL 562 Ca -0.16 -0.08 -0.38 0.00 -2.96 0.00 0.00 64.34 60.77 2kuf n VAL 562 Cb 0.55 -2.13 -0.06 0.00 -1.06 0.00 0.00 33.84 31.14 2kuf n VAL 562 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 2kuf s MET 563 N 2.99 4.14 1.03 1.45 1.75 -0.04 -4.87 119.30 125.75 2kuf s MET 563 Ca 0.83 0.40 -0.12 0.00 -1.25 0.00 0.00 55.69 55.55 2kuf s MET 563 Cb -0.49 -3.33 0.21 0.00 2.84 0.00 0.00 34.83 34.06 2kuf s MET 563 CO 0.38 0.42 1.08 -2.14 -0.65 0.00 0.00 175.02 174.12 2kuf s PRO 564 N -0.22 0.15 -0.35 4.11 0.02 -1.26 -2.37 135.00 135.09 2kuf s PRO 564 Ca 0.24 0.62 -0.22 0.00 0.02 0.00 0.00 61.00 61.66 2kuf s PRO 564 Cb -0.16 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.67 2kuf s PRO 564 CO 0.11 -2.94 0.72 0.34 -0.33 0.00 0.00 177.00 174.90 2kuf s ASP 565 N -3.23 6.51 0.00 2.53 -1.08 -1.26 -4.80 116.67 115.35 2kuf s ASP 565 Ca 0.66 0.32 0.16 0.00 -0.52 0.00 0.00 52.55 53.16 2kuf s ASP 565 Cb -0.20 -2.37 0.12 0.00 -1.46 0.00 0.00 42.92 39.01 2kuf s ASP 565 CO 0.59 -0.65 0.99 0.18 0.52 0.00 0.00 175.17 176.80 2kuf n LEU 566 N 6.22 2.27 -4.83 -1.34 4.77 -1.26 -4.97 117.00 117.85 2kuf n LEU 566 Ca 0.01 -0.99 -0.32 0.00 -0.03 0.00 0.00 56.01 54.68 2kuf n LEU 566 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2kuf n LEU 566 CO 0.51 0.41 0.68 -0.55 -1.33 0.00 0.00 177.39 177.10 2kuf s SER 567 N -1.32 6.63 0.00 -1.43 0.15 -1.26 -4.08 113.70 112.38 2kuf s SER 567 Ca 0.18 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.45 2kuf s SER 567 Cb 0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2kuf s SER 567 CO 0.20 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2kuf n GLY 568 N -1.32 0.53 3.28 9.45 0.00 0.22 -4.94 105.19 112.41 2kuf n GLY 568 Ca 0.07 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.72 1.62 0.44 1.61 0.00 -1.26 -4.79 119.30 114.21 2kuf s MET 569 Ca 0.00 -1.89 0.06 0.00 0.00 0.00 0.00 55.69 53.86 2kuf s MET 569 Cb 0.00 0.32 0.01 0.00 0.00 0.00 0.00 34.83 35.16 2kuf s MET 569 CO 0.00 -0.59 0.60 -0.06 0.00 0.00 0.00 175.02 174.97 2kuf s PHE 570 N -3.61 2.88 0.44 3.16 0.40 -1.26 0.01 117.98 120.00 2kuf s PHE 570 Ca 0.39 -0.27 0.20 0.00 -0.60 0.00 0.00 56.93 56.66 2kuf s PHE 570 Cb 0.03 -2.40 1.21 0.00 0.51 0.00 0.00 43.02 42.37 2kuf s PHE 570 CO 0.23 -0.46 2.03 2.35 0.70 0.00 0.00 175.22 180.07 2kuf h TRP 571 N 0.55 0.00 0.00 0.36 2.91 -1.90 -0.39 115.95 117.48 2kuf h TRP 571 Ca -0.41 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.61 2kuf h TRP 571 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2kuf h TRP 571 CO 0.40 0.16 0.00 -0.24 -1.03 0.00 0.00 178.44 177.73 2kuf h VAL 572 N 0.00 0.00 0.10 2.65 3.04 -2.01 -1.70 116.25 118.33 2kuf h VAL 572 Ca -0.00 -0.47 -0.36 0.00 -1.01 0.00 0.00 66.70 64.85 2kuf h VAL 572 Cb 0.33 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 2kuf h VAL 572 CO 0.02 0.00 -2.01 0.47 -1.01 0.00 0.00 177.57 175.04 2kuf n ASP 573 N -2.67 1.97 0.10 3.17 8.00 -0.30 -4.40 116.55 122.42 2kuf n ASP 573 Ca 0.02 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 2kuf n ASP 573 Cb 0.33 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.64 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 0.17 -0.29 -0.22 2.24 0.00 -0.75 -2.81 119.26 117.59 2kuf h ALA 574 Ca -0.43 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.52 2kuf h ALA 574 Cb 2.03 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 20.03 2kuf h ALA 574 CO 0.07 -0.70 -0.28 0.93 0.00 0.00 0.00 179.25 179.27 2kuf h GLU 575 N -0.34 -0.29 -0.59 0.00 5.08 -1.53 0.09 114.58 116.99 2kuf h GLU 575 Ca 0.03 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2kuf h GLU 575 Cb 0.36 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2kuf h GLU 575 CO -0.10 -0.20 0.32 -1.35 -1.00 0.00 0.00 179.01 176.68 2kuf h PRO 576 N -0.30 0.81 -0.82 2.33 0.11 -1.77 -2.34 132.00 130.02 2kuf h PRO 576 Ca 0.13 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 2kuf h PRO 576 Cb 0.50 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 2kuf h PRO 576 CO -0.39 0.60 0.36 0.00 -0.21 0.00 0.00 178.00 178.35 2kuf h ARG 577 N 0.82 1.20 -0.07 1.05 2.47 -0.96 -1.27 114.38 117.62 2kuf h ARG 577 Ca 0.21 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2kuf h ARG 577 Cb 0.02 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.13 2kuf h ARG 577 CO -0.03 0.95 0.01 -0.07 0.56 0.00 0.00 179.97 181.38 2kuf h LEU 578 N 1.17 0.12 -0.82 3.04 3.38 -0.49 -0.02 115.31 121.69 2kuf h LEU 578 Ca 0.28 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2kuf h LEU 578 Cb 0.17 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2kuf h LEU 578 CO -0.03 0.36 -0.14 0.08 0.09 0.00 0.00 178.44 178.80 2kuf h ARG 579 N -0.13 0.73 -0.16 1.13 0.11 -1.49 -0.19 114.38 114.39 2kuf h ARG 579 Ca 0.02 -0.25 -0.13 0.00 0.10 0.00 0.00 59.98 59.72 2kuf h ARG 579 Cb 0.29 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2kuf h ARG 579 CO 0.00 0.84 -0.47 0.00 0.10 0.00 0.00 179.97 180.44 2kuf h ALA 580 N 1.18 0.90 -0.00 0.08 0.00 -0.96 -2.00 119.26 118.46 2kuf h ALA 580 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kuf h ALA 580 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kuf h ALA 580 CO 0.04 0.65 -0.05 1.47 0.00 0.00 0.00 179.25 181.37 2kuf n LEU 581 N -3.98 0.13 -1.48 0.00 -0.00 -0.05 -4.90 117.00 106.72 2kuf n LEU 581 Ca -0.02 0.24 -0.06 0.00 -0.00 0.00 0.00 56.01 56.17 2kuf n LEU 581 Cb 0.54 -0.29 0.02 0.00 -0.00 0.00 0.00 43.42 43.70 2kuf n LEU 581 CO 0.44 0.03 0.05 0.61 -0.00 0.00 0.00 177.39 178.52 2kuf n GLY 582 N 1.32 0.41 3.69 1.47 0.00 -0.75 -5.01 105.19 106.33 2kuf n GLY 582 Ca 0.13 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.09 3.49 -0.05 1.61 -0.00 -0.13 -4.93 118.94 115.85 2kuf s TRP 583 Ca 0.09 1.13 0.20 0.00 -0.00 0.00 0.00 56.10 57.53 2kuf s TRP 583 Cb -0.04 -2.82 -0.31 0.00 -0.00 0.00 0.00 33.47 30.30 2kuf s TRP 583 CO 0.20 -0.04 0.41 0.25 -0.00 0.00 0.00 176.95 177.77 2kuf n THR 584 N 4.19 0.15 -1.07 5.86 -2.24 -1.26 -4.70 114.28 115.21 2kuf n THR 584 Ca -0.01 -0.51 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 2kuf n THR 584 Cb 0.50 -0.03 0.12 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.09 3.73 3.38 0.00 -1.06 -5.05 105.19 105.49 2kuf n GLY 585 Ca -0.07 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -4.39 2.95 -0.49 1.61 -1.94 -1.26 -5.02 119.30 110.76 2kuf s MET 586 Ca 0.38 -0.51 -0.22 0.00 -1.71 0.00 0.00 55.69 53.63 2kuf s MET 586 Cb -0.03 -2.78 0.04 0.00 2.01 0.00 0.00 34.83 34.07 2kuf s MET 586 CO 0.28 0.65 0.77 -1.17 -0.01 0.00 0.00 175.02 175.54 2kuf s LEU 587 N -1.51 4.40 -0.32 -0.03 2.96 -1.26 -4.40 118.68 118.51 2kuf s LEU 587 Ca 0.20 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.59 2kuf s LEU 587 Cb -0.12 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 2kuf s LEU 587 CO 0.10 -0.97 0.32 -0.62 -1.32 0.00 0.00 176.35 173.86 2kuf s ASP 588 N 2.40 6.15 -0.17 3.68 2.15 -1.16 -5.04 116.67 124.68 2kuf s ASP 588 Ca 0.26 -0.11 -0.09 0.00 0.43 0.00 0.00 52.55 53.04 2kuf s ASP 588 Cb -0.14 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 40.26 2kuf s ASP 588 CO 0.19 -0.24 0.13 -1.59 -0.17 0.00 0.00 175.17 173.49 2kuf s LYS 589 N 1.94 3.92 -0.12 4.34 0.00 -1.26 -1.20 119.74 127.36 2kuf s LYS 589 Ca 0.11 -0.19 -0.16 0.00 0.00 0.00 0.00 55.97 55.73 2kuf s LYS 589 Cb -0.16 -3.34 -0.14 0.00 0.00 0.00 0.00 37.83 34.18 2kuf s LYS 589 CO 0.11 0.47 0.42 0.78 0.00 0.00 0.00 175.35 177.13 2kuf h GLY 590 N 6.07 0.00 -5.15 0.59 0.00 -1.16 -3.47 103.07 99.95 2kuf h GLY 590 Ca -0.46 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.68 2kuf h GLY 590 CO 0.70 0.00 -0.70 0.00 0.00 0.00 0.00 176.54 176.53 2kuf s ALA 591 N -2.37 0.08 -0.12 3.60 0.00 -1.26 -5.08 121.76 116.62 2kuf s ALA 591 Ca -0.11 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 2kuf s ALA 591 Cb -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2kuf s ALA 591 CO 0.39 -0.11 -0.12 -0.51 0.00 0.00 0.00 175.76 175.41 2kuf s ASP 592 N -1.01 4.14 -0.31 0.00 1.11 -1.26 -3.15 116.67 116.19 2kuf s ASP 592 Ca -0.11 -0.27 -0.09 0.00 0.18 0.00 0.00 52.55 52.26 2kuf s ASP 592 Cb -0.07 -1.51 -0.00 0.00 1.07 0.00 0.00 42.92 42.41 2kuf s ASP 592 CO -0.01 0.20 0.14 -0.69 1.18 0.00 0.00 175.17 175.99 2kuf s VAL 593 N 0.15 4.49 -0.05 -1.27 1.01 -0.15 -4.89 120.40 119.69 2kuf s VAL 593 Ca -0.06 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2kuf s VAL 593 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2kuf s VAL 593 CO 0.04 0.07 1.08 -0.62 0.00 0.00 0.00 175.10 175.68 2kuf s ASP 594 N 1.60 7.19 0.00 3.32 2.15 -1.26 0.43 116.67 130.09 2kuf s ASP 594 Ca 0.04 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.71 2kuf s ASP 594 Cb -0.17 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2kuf s ASP 594 CO 0.06 -0.46 0.00 0.00 -0.17 0.00 0.00 175.17 174.60 2kuf n ALA 595 N 4.76 0.10 0.00 3.66 0.00 -0.18 -4.91 120.51 123.93 2kuf n ALA 595 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2kuf n ALA 595 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.46 2.72 0.29 0.00 0.00 0.68 -4.71 105.19 103.71 2kuf n GLY 596 Ca 0.00 -1.63 0.05 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 0.39 2.00 -0.02 0.00 -1.89 -2.21 103.07 101.35 2kuf h GLY 597 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2kuf h GLY 597 CO 0.00 0.15 -0.04 0.23 0.00 0.00 0.00 176.54 176.88 2kuf h SER 598 N 0.37 0.00 0.03 0.19 0.87 -1.97 0.95 113.55 113.99 2kuf h SER 598 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2kuf h SER 598 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2kuf h SER 598 CO -0.02 0.04 -0.02 0.00 -0.53 0.00 0.00 176.83 176.31 2kuf n GLN 599 N -3.60 1.36 -3.13 2.24 1.13 -0.83 -4.89 117.38 109.66 2kuf n GLN 599 Ca -0.02 -0.61 -0.16 0.00 -1.94 0.00 0.00 57.00 54.26 2kuf n GLN 599 Cb 0.14 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.05 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 -0.28 -1.83 -2.30 1.08 8.25 0.33 -4.89 115.22 115.58 2kuf n HIS 600 Ca 0.20 0.61 -0.34 0.00 -0.26 0.00 0.00 57.72 57.93 2kuf n HIS 600 Cb 0.28 -3.70 -0.04 0.00 1.12 0.00 0.00 29.99 27.65 2kuf n HIS 600 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2kuf s ASN 601 N -3.11 5.80 0.50 0.41 2.47 -1.24 -4.93 114.94 114.85 2kuf s ASN 601 Ca 0.35 -1.09 0.06 0.00 0.42 0.00 0.00 52.86 52.60 2kuf s ASN 601 Cb -0.16 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.11 2kuf s ASN 601 CO 0.44 -2.15 0.69 0.00 -3.72 0.00 0.00 177.10 172.36 2kuf s ARG 602 N 6.00 2.60 0.21 0.43 1.70 -1.26 -4.11 118.95 124.51 2kuf s ARG 602 Ca 0.59 -1.15 -0.32 0.00 -0.47 0.00 0.00 55.73 54.37 2kuf s ARG 602 Cb -0.03 -2.64 -0.13 0.00 -0.57 0.00 0.00 34.95 31.58 2kuf s ARG 602 CO -0.05 -0.56 1.66 0.28 -1.08 0.00 0.00 175.30 175.56 2kuf n VAL 603 N -2.11 0.15 -0.07 4.99 0.31 0.10 -0.80 118.33 120.90 2kuf n VAL 603 Ca 0.09 -0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 2kuf n VAL 603 Cb 0.60 -1.85 -0.11 0.00 -0.91 0.00 0.00 33.84 31.57 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 3.56 0.96 -3.74 2.52 0.24 -0.70 -0.61 118.33 120.56 2kuf n VAL 604 Ca 0.15 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 2kuf n VAL 604 Cb 0.33 -0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.34 -0.42 0.03 6.34 5.04 -0.87 -4.86 117.35 120.27 2kuf s TYR 605 Ca -0.08 0.98 0.09 0.00 -2.44 0.00 0.00 57.07 55.62 2kuf s TYR 605 Cb 0.04 0.15 -0.03 0.00 0.35 0.00 0.00 41.96 42.47 2kuf s TYR 605 CO 0.56 -0.23 -0.25 1.14 -1.34 0.00 0.00 175.55 175.43 2kuf s GLN 606 N 0.65 1.81 0.11 4.97 -2.07 -1.26 -0.25 119.66 123.62 2kuf s GLN 606 Ca -0.04 -1.02 -0.32 0.00 -1.82 0.00 0.00 55.36 52.16 2kuf s GLN 606 Cb -0.05 -1.91 -0.12 0.00 -1.09 0.00 0.00 33.01 29.85 2kuf s GLN 606 CO -0.04 0.50 1.58 -0.97 -1.32 0.00 0.00 175.29 175.04 2kuf h ASN 607 N 5.02 -1.32 -3.23 12.60 -0.73 -1.24 -3.41 115.58 123.28 2kuf h ASN 607 Ca -0.45 0.14 -0.58 0.00 1.87 0.00 0.00 56.30 57.28 2kuf h ASN 607 Cb 1.14 0.49 -0.06 0.00 0.27 0.00 0.00 38.32 40.15 2kuf h ASN 607 CO 0.45 -0.52 -0.11 -2.16 -0.37 0.00 0.00 177.43 174.72 2kuf s PRO 608 N -5.88 4.21 0.81 6.67 0.05 -1.26 -5.07 135.00 134.53 2kuf s PRO 608 Ca -0.16 0.56 -0.10 0.00 0.05 0.00 0.00 61.00 61.34 2kuf s PRO 608 Cb 0.07 -3.33 0.08 0.00 0.05 0.00 0.00 34.50 31.37 2kuf s PRO 608 CO 0.63 0.42 1.11 -1.25 0.05 0.00 0.00 177.00 177.95 2kuf s PRO 609 N -0.27 1.89 0.15 0.56 0.04 -1.26 -4.90 135.00 131.21 2kuf s PRO 609 Ca 0.27 1.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 2kuf s PRO 609 Cb -0.17 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2kuf s PRO 609 CO 0.14 -1.94 1.75 0.00 0.04 0.00 0.00 177.00 177.00 2kuf s ALA 610 N -2.83 3.81 0.00 8.56 0.00 -1.26 -1.71 121.76 128.33 2kuf s ALA 610 Ca 0.63 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2kuf s ALA 610 Cb -0.19 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2kuf s ALA 610 CO 0.57 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2kuf n GLY 611 N 4.08 0.48 3.86 0.00 0.00 -1.00 -5.02 105.19 107.59 2kuf n GLY 611 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2kuf n GLY 611 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 612 N -2.00 4.90 0.20 2.61 2.01 -0.70 -4.71 115.64 117.95 2kuf s THR 612 Ca 0.00 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 2kuf s THR 612 Cb 0.00 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.76 2kuf s THR 612 CO 0.00 0.09 0.99 -0.83 -0.69 0.00 0.00 174.62 174.18 2kuf s GLY 613 N -2.02 3.04 0.01 4.40 0.00 -1.26 -0.86 107.32 110.63 2kuf s GLY 613 Ca 0.42 0.67 0.07 0.00 0.00 0.00 0.00 44.72 45.88 2kuf s GLY 613 CO 0.20 1.37 -0.22 -1.34 0.00 0.00 0.00 173.10 173.11 2kuf s VAL 614 N -0.71 2.45 1.09 1.40 -7.23 0.82 -4.76 120.40 113.45 2kuf s VAL 614 Ca 0.44 -1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 59.26 2kuf s VAL 614 Cb -0.26 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.79 2kuf s VAL 614 CO 0.33 0.45 -0.24 -0.46 -0.31 0.00 0.00 175.10 174.87 2kuf n ASN 615 N 1.97 -2.54 0.25 4.85 6.94 -1.26 -0.47 115.26 124.99 2kuf n ASN 615 Ca -0.16 -0.14 0.14 0.00 -0.02 0.00 0.00 54.58 54.39 2kuf n ASN 615 Cb 0.52 -0.86 0.80 0.00 -2.36 0.00 0.00 39.78 37.89 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 -1.96 0.00 -0.00 -3.83 0.11 -1.58 0.35 114.38 107.46 2kuf h ARG 616 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2kuf h ARG 616 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2kuf h ARG 616 CO 0.33 0.00 -0.17 -3.47 0.10 0.00 0.00 179.97 176.76 2kuf n ASP 617 N -4.07 0.37 -0.96 0.08 2.03 -1.26 -4.87 116.55 107.86 2kuf n ASP 617 Ca -0.01 -0.23 -0.13 0.00 0.52 0.00 0.00 54.79 54.94 2kuf n ASP 617 Cb 0.17 -0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kuf n GLY 618 N 1.39 1.33 3.66 0.27 0.00 0.12 -2.56 105.19 109.39 2kuf n GLY 618 Ca 0.10 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2kuf n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kuf s ILE 619 N -2.39 3.88 -0.06 -0.61 -1.16 -1.26 -4.90 121.20 114.69 2kuf s ILE 619 Ca 0.00 1.06 0.02 0.00 -0.51 0.00 0.00 60.65 61.23 2kuf s ILE 619 Cb 0.00 -3.69 0.01 0.00 0.61 0.00 0.00 42.46 39.39 2kuf s ILE 619 CO 0.00 -0.10 -0.12 -0.51 -2.81 0.00 0.00 174.94 171.40 2kuf s ILE 620 N 3.82 1.10 -0.12 2.00 -1.16 -1.26 -4.81 121.20 120.77 2kuf s ILE 620 Ca 0.65 -0.47 -0.04 0.00 -0.51 0.00 0.00 60.65 60.28 2kuf s ILE 620 Cb -0.28 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.75 2kuf s ILE 620 CO 0.23 0.34 0.05 0.28 -2.81 0.00 0.00 174.94 173.03 2kuf s THR 621 N 0.60 4.68 0.18 4.00 -1.32 -1.25 -3.01 115.64 119.52 2kuf s THR 621 Ca -0.13 -0.10 -0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2kuf s THR 621 Cb -0.15 -3.03 -0.04 0.00 -1.51 0.00 0.00 72.50 67.77 2kuf s THR 621 CO 0.03 0.57 0.08 -1.48 -2.21 0.00 0.00 174.62 171.61 2kuf s LEU 622 N -0.55 1.57 -0.04 9.08 2.34 -0.34 -0.59 118.68 130.14 2kuf s LEU 622 Ca 0.10 -1.29 0.04 0.00 0.06 0.00 0.00 54.13 53.04 2kuf s LEU 622 Cb -0.12 0.25 -0.00 0.00 -0.56 0.00 0.00 46.19 45.76 2kuf s LEU 622 CO 0.02 -0.75 -0.16 -0.13 -1.06 0.00 0.00 176.35 174.28 2kuf s ARG 623 N -4.07 1.69 0.14 1.48 0.52 0.66 -0.51 118.95 118.86 2kuf s ARG 623 Ca 0.31 -0.55 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 2kuf s ARG 623 Cb 0.07 -1.46 -0.03 0.00 0.52 0.00 0.00 34.95 34.05 2kuf s ARG 623 CO 0.07 0.20 0.14 -0.59 0.02 0.00 0.00 175.30 175.15 2kuf s PHE 624 N 0.14 0.68 -0.07 -0.53 -0.71 -1.19 -1.72 117.98 114.58 2kuf s PHE 624 Ca -0.05 -1.05 -0.30 0.00 -1.04 0.00 0.00 56.93 54.49 2kuf s PHE 624 Cb -0.12 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.36 2kuf s PHE 624 CO 0.02 -0.60 1.01 0.20 -1.34 0.00 0.00 175.22 174.52 2kuf s GLY 625 N -3.02 2.49 0.00 1.99 0.00 0.02 -0.98 107.32 107.82 2kuf s GLY 625 Ca 0.21 0.43 0.28 0.00 0.00 0.00 0.00 44.72 45.64 2kuf s GLY 625 CO 0.01 1.87 1.69 -0.18 0.00 0.00 0.00 173.10 176.50