#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuf s PRO 492 N 0.00 4.47 -0.02 1.61 0.02 -1.26 -4.94 135.00 134.89 2kuf s PRO 492 Ca 0.00 1.73 0.03 0.00 0.02 0.00 0.00 61.00 62.78 2kuf s PRO 492 Cb 0.00 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.58 2kuf s PRO 492 CO 0.00 0.08 0.89 0.00 -0.33 0.00 0.00 177.00 177.64 2kuf n ALA 493 N 0.77 1.78 -2.93 -1.55 0.00 -1.26 -4.99 120.51 112.33 2kuf n ALA 493 Ca 0.01 -1.09 -0.10 0.00 0.00 0.00 0.00 53.44 52.26 2kuf n ALA 493 Cb 0.46 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.93 0.06 0.04 0.00 -4.23 -1.26 0.15 115.64 109.47 2kuf s THR 494 Ca 0.04 -0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 60.06 2kuf s THR 494 Cb 0.04 -0.15 -0.03 0.00 1.34 0.00 0.00 72.50 73.70 2kuf s THR 494 CO 0.00 -0.27 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.24 2kuf s LYS 495 N -0.78 0.49 -0.01 3.99 1.02 0.14 -4.83 119.74 119.75 2kuf s LYS 495 Ca -0.09 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.89 2kuf s LYS 495 Cb -0.05 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 2kuf s LYS 495 CO -0.00 -0.07 0.24 0.16 -0.92 0.00 0.00 175.35 174.75 2kuf s ASP 496 N -2.28 6.47 0.07 2.83 -4.77 -1.26 -0.06 116.67 117.66 2kuf s ASP 496 Ca -0.03 0.52 -0.22 0.00 -3.30 0.00 0.00 52.55 49.52 2kuf s ASP 496 Cb -0.00 -2.07 -0.06 0.00 -1.09 0.00 0.00 42.92 39.69 2kuf s ASP 496 CO -0.06 0.27 0.66 0.27 0.70 0.00 0.00 175.17 177.02 2kuf s ILE 497 N -1.27 4.70 0.54 2.11 -4.36 -0.81 -4.89 121.20 117.23 2kuf s ILE 497 Ca 0.26 1.42 -0.06 0.00 -0.26 0.00 0.00 60.65 62.00 2kuf s ILE 497 Cb -0.13 -4.01 0.12 0.00 1.25 0.00 0.00 42.46 39.69 2kuf s ILE 497 CO 0.15 0.47 0.74 -0.81 0.24 0.00 0.00 174.94 175.73 2kuf n PRO 498 N 2.21 -0.41 -2.91 0.37 -0.04 -1.26 -0.16 135.00 132.80 2kuf n PRO 498 Ca -0.07 -1.44 -0.42 0.00 -0.04 0.00 0.00 63.50 61.53 2kuf n PRO 498 Cb 0.50 -0.67 -0.05 0.00 -0.04 0.00 0.00 33.50 33.25 2kuf n PRO 498 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kuf s ASP 499 N -3.81 6.61 -0.57 3.54 -1.08 -1.26 -4.66 116.67 115.44 2kuf s ASP 499 Ca 0.44 0.49 0.05 0.00 -0.52 0.00 0.00 52.55 53.01 2kuf s ASP 499 Cb -0.02 -2.42 0.35 0.00 -1.46 0.00 0.00 42.92 39.37 2kuf s ASP 499 CO 0.30 -0.75 0.98 1.33 0.52 0.00 0.00 175.17 177.56 2kuf n VAL 500 N 5.79 3.04 -4.02 1.11 0.24 -1.26 -4.96 118.33 118.27 2kuf n VAL 500 Ca 0.04 -5.51 -0.33 0.00 -2.04 0.00 0.00 64.34 56.50 2kuf n VAL 500 Cb 0.48 -1.39 -0.15 0.00 -1.47 0.00 0.00 33.84 31.32 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 -3.50 2.71 0.00 2.33 0.00 -1.26 -3.66 121.76 118.38 2kuf s ALA 501 Ca 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2kuf s ALA 501 Cb 0.29 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2kuf s ALA 501 CO -0.15 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 174.68 2kuf n GLY 502 N 4.44 1.15 1.88 0.00 0.00 -0.12 -4.92 105.19 107.62 2kuf n GLY 502 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 0.86 -1.90 1.61 0.00 -1.26 -4.88 117.38 111.80 2kuf n GLN 503 Ca 0.00 -1.54 -0.33 0.00 0.00 0.00 0.00 57.00 55.14 2kuf n GLN 503 Cb 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 30.24 30.20 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kuf s THR 504 N -0.84 3.68 0.17 -0.39 2.01 -1.26 -2.19 115.64 116.82 2kuf s THR 504 Ca 0.27 0.76 -0.14 0.00 0.31 0.00 0.00 61.69 62.89 2kuf s THR 504 Cb -0.02 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.25 2kuf s THR 504 CO 0.17 -0.51 1.83 1.62 -0.69 0.00 0.00 174.62 177.04 2kuf h VAL 505 N 0.17 1.14 -0.46 3.82 3.04 -0.75 0.22 116.25 123.43 2kuf h VAL 505 Ca -0.46 -0.27 -0.05 0.00 -1.01 0.00 0.00 66.70 64.90 2kuf h VAL 505 Cb 1.23 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 2kuf h VAL 505 CO 0.56 0.14 0.06 -0.78 -1.01 0.00 0.00 177.57 176.54 2kuf h ASP 506 N 0.71 0.67 -0.21 3.17 3.58 -1.93 0.11 116.42 122.53 2kuf h ASP 506 Ca 0.19 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2kuf h ASP 506 Cb -0.07 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 2kuf h ASP 506 CO -0.04 0.70 -0.13 0.58 -2.88 0.00 0.00 179.24 177.47 2kuf h VAL 507 N 0.68 1.32 -0.70 2.25 2.07 -1.77 0.72 116.25 120.83 2kuf h VAL 507 Ca 0.15 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2kuf h VAL 507 Cb 0.34 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2kuf h VAL 507 CO 0.01 0.38 0.45 0.00 0.02 0.00 0.00 177.57 178.42 2kuf h ALA 508 N 0.68 0.89 -0.54 1.67 0.00 -0.06 0.39 119.26 122.30 2kuf h ALA 508 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.65 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kuf h ALA 508 CO 0.04 0.33 0.20 1.96 0.00 0.00 0.00 179.25 181.78 2kuf h GLN 509 N 0.95 0.81 -0.44 0.00 4.20 -0.58 0.20 115.11 120.25 2kuf h GLN 509 Ca 0.25 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 2kuf h GLN 509 Cb -0.08 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2kuf h GLN 509 CO -0.05 0.72 0.11 0.87 -0.67 0.00 0.00 178.83 179.81 2kuf h LYS 510 N 0.73 0.70 -0.15 1.46 1.79 -0.33 -0.88 116.57 119.89 2kuf h LYS 510 Ca 0.18 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2kuf h LYS 510 Cb 0.22 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 2kuf h LYS 510 CO -0.01 0.70 0.08 -0.97 -1.08 0.00 0.00 179.45 178.17 2kuf h ASN 511 N 0.58 0.20 -0.03 0.86 -1.24 0.13 -1.42 115.58 114.67 2kuf h ASN 511 Ca 0.14 -0.10 -0.13 0.00 0.71 0.00 0.00 56.30 56.91 2kuf h ASN 511 Cb 0.31 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 2kuf h ASN 511 CO 0.00 0.24 -0.42 0.17 -1.29 0.00 0.00 177.43 176.13 2kuf h LEU 512 N 0.14 0.59 -1.36 0.34 8.10 -0.54 -2.78 115.31 119.79 2kuf h LEU 512 Ca 0.05 -0.27 -0.02 0.00 0.11 0.00 0.00 57.88 57.76 2kuf h LEU 512 Cb 0.09 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.12 2kuf h LEU 512 CO -0.01 0.93 0.24 -1.13 -4.11 0.00 0.00 178.44 174.37 2kuf h ASN 513 N 0.45 0.61 -0.82 0.17 -0.00 -0.71 0.16 115.58 115.44 2kuf h ASN 513 Ca 0.04 -0.05 0.03 0.00 -0.00 0.00 0.00 56.30 56.31 2kuf h ASN 513 Cb 0.92 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 39.04 2kuf h ASN 513 CO 0.08 0.51 0.54 0.58 -0.00 0.00 0.00 177.43 179.15 2kuf h VAL 514 N 0.68 1.16 -0.44 2.57 2.07 -0.97 0.33 116.25 121.65 2kuf h VAL 514 Ca 0.17 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kuf h VAL 514 Cb 0.06 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2kuf h VAL 514 CO -0.02 0.19 0.00 -1.22 0.02 0.00 0.00 177.57 176.54 2kuf n TYR 515 N -4.44 0.61 0.08 1.57 4.01 -0.76 -4.71 117.16 113.52 2kuf n TYR 515 Ca 0.10 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 2kuf n TYR 515 Cb 0.08 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.76 -0.15 2.45 2.72 0.00 0.50 -4.90 105.19 106.57 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 -3.23 -0.27 -1.74 1.61 3.72 0.11 -4.97 117.46 112.69 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 -3.15 0.09 0.00 -0.94 0.00 0.00 39.48 35.54 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 -2.98 0.00 -4.37 4.37 -2.24 -1.26 -4.96 114.28 102.84 2kuf n THR 518 Ca -0.18 -0.57 -0.34 0.00 -2.27 0.00 0.00 64.05 60.69 2kuf n THR 518 Cb 0.60 -1.57 -0.09 0.00 -2.10 0.00 0.00 70.33 67.16 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 -4.22 2.87 0.05 -0.78 3.01 -1.13 -4.95 119.74 114.60 2kuf s LYS 519 Ca 0.36 -0.51 0.04 0.00 -1.01 0.00 0.00 55.97 54.85 2kuf s LYS 519 Cb -0.01 -2.72 -0.02 0.00 -1.01 0.00 0.00 37.83 34.07 2kuf s LYS 519 CO 0.25 0.67 -0.11 -0.59 0.51 0.00 0.00 175.35 176.07 2kuf s PHE 520 N -0.96 0.95 0.04 3.18 -0.12 -1.26 -0.06 117.98 119.75 2kuf s PHE 520 Ca 0.16 -0.42 -0.02 0.00 -0.05 0.00 0.00 56.93 56.59 2kuf s PHE 520 Cb -0.11 -0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 2kuf s PHE 520 CO 0.05 -0.01 0.02 -1.12 -0.05 0.00 0.00 175.22 174.12 2kuf s SER 521 N -1.43 0.30 -0.04 1.98 0.01 -0.35 -4.87 113.70 109.29 2kuf s SER 521 Ca -0.04 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 56.59 2kuf s SER 521 Cb -0.09 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 2kuf s SER 521 CO 0.01 -0.49 -0.20 0.00 0.41 0.00 0.00 173.24 172.98 2kuf s GLN 522 N -2.77 2.38 -0.17 12.44 -2.07 -1.26 -0.93 119.66 127.27 2kuf s GLN 522 Ca -0.04 -0.80 0.01 0.00 -1.82 0.00 0.00 55.36 52.71 2kuf s GLN 522 Cb -0.00 -2.24 0.03 0.00 -1.09 0.00 0.00 33.01 29.71 2kuf s GLN 522 CO -0.06 0.57 -0.16 0.00 -1.32 0.00 0.00 175.29 174.32 2kuf s ALA 523 N -0.60 2.11 -0.20 2.60 0.00 0.59 -4.92 121.76 121.33 2kuf s ALA 523 Ca 0.09 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 2kuf s ALA 523 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2kuf s ALA 523 CO 0.00 -0.47 0.07 -1.12 0.00 0.00 0.00 175.76 174.24 2kuf s SER 524 N 1.37 5.56 0.22 0.00 0.01 -1.26 -0.24 113.70 119.37 2kuf s SER 524 Ca 0.03 0.02 0.11 0.00 1.31 0.00 0.00 55.95 57.42 2kuf s SER 524 Cb -0.14 -1.97 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 2kuf s SER 524 CO -0.11 0.12 -0.21 0.54 0.41 0.00 0.00 173.24 173.99 2kuf s VAL 525 N 0.71 2.29 0.20 3.43 0.11 0.32 -4.81 120.40 122.66 2kuf s VAL 525 Ca 0.04 -2.16 -0.30 0.00 -2.93 0.00 0.00 61.98 56.63 2kuf s VAL 525 Cb -0.13 -2.14 -0.09 0.00 -1.53 0.00 0.00 36.38 32.49 2kuf s VAL 525 CO 0.02 -0.27 1.26 1.51 -3.33 0.00 0.00 175.10 174.29 2kuf s ASP 526 N -3.00 6.98 0.01 3.54 -4.77 -1.26 -0.20 116.67 117.97 2kuf s ASP 526 Ca 0.23 2.35 -0.28 0.00 -3.30 0.00 0.00 52.55 51.55 2kuf s ASP 526 Cb -0.06 -2.61 0.09 0.00 -1.09 0.00 0.00 42.92 39.25 2kuf s ASP 526 CO 0.11 -0.45 0.81 -0.44 0.70 0.00 0.00 175.17 175.90 2kuf s SER 527 N 0.17 -0.44 0.30 2.11 0.01 -0.40 -4.84 113.70 110.62 2kuf s SER 527 Ca 0.54 0.10 0.24 0.00 1.31 0.00 0.00 55.95 58.14 2kuf s SER 527 Cb -0.35 0.44 1.10 0.00 0.21 0.00 0.00 66.02 67.42 2kuf s SER 527 CO 0.38 -0.67 1.72 -0.65 0.41 0.00 0.00 173.24 174.43 2kuf h PRO 528 N 2.14 0.00 -6.83 12.44 0.11 -1.82 -3.32 132.00 134.72 2kuf h PRO 528 Ca -0.25 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.35 2kuf h PRO 528 Cb 1.24 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.38 2kuf h PRO 528 CO 0.33 0.00 0.51 1.03 -0.21 0.00 0.00 178.00 179.66 2kuf s ARG 529 N -3.43 4.56 0.53 1.05 3.00 -1.26 -4.86 118.95 118.54 2kuf s ARG 529 Ca 0.02 1.89 -0.22 0.00 0.00 0.00 0.00 55.73 57.41 2kuf s ARG 529 Cb 0.08 -3.14 -0.05 0.00 0.00 0.00 0.00 34.95 31.84 2kuf s ARG 529 CO 0.33 0.11 1.34 -1.25 0.00 0.00 0.00 175.30 175.83 2kuf s PRO 530 N -1.56 3.22 -0.20 3.54 0.04 -1.26 -2.74 135.00 136.03 2kuf s PRO 530 Ca 0.46 2.19 -0.28 0.00 0.04 0.00 0.00 61.00 63.41 2kuf s PRO 530 Cb -0.33 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 2kuf s PRO 530 CO 0.43 -1.12 2.21 0.00 0.04 0.00 0.00 177.00 178.56 2kuf n ALA 531 N -0.95 1.77 0.00 8.56 0.00 -1.22 -2.10 120.51 126.57 2kuf n ALA 531 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2kuf n ALA 531 Cb 0.45 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.00 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 5.68 1.25 3.73 0.00 0.00 -1.09 -4.92 105.19 109.83 2kuf n GLY 532 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 4.55 -0.28 1.61 2.12 -0.89 -0.01 118.70 125.80 2kuf s GLU 533 Ca 0.00 1.21 -0.12 0.00 0.36 0.00 0.00 54.97 56.42 2kuf s GLU 533 Cb 0.00 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2kuf s GLU 533 CO 0.00 0.16 0.22 0.54 -0.54 0.00 0.00 175.26 175.64 2kuf s VAL 534 N 0.31 5.29 -1.50 3.70 0.11 -0.93 -0.96 120.40 126.42 2kuf s VAL 534 Ca 0.43 0.20 0.19 0.00 -2.93 0.00 0.00 61.98 59.88 2kuf s VAL 534 Cb -0.21 -3.57 0.67 0.00 -1.53 0.00 0.00 36.38 31.74 2kuf s VAL 534 CO 0.25 0.22 1.56 0.35 -3.33 0.00 0.00 175.10 174.15 2kuf n THR 535 N 5.07 1.43 -0.20 5.04 -2.24 -0.37 -0.94 114.28 122.08 2kuf n THR 535 Ca -0.13 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 2kuf n THR 535 Cb 0.52 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 2kuf n THR 535 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 536 N 1.32 0.46 3.51 3.38 0.00 -1.21 -4.75 105.19 107.89 2kuf n GLY 536 Ca 0.24 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 2kuf n GLY 536 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kuf s THR 537 N -1.47 2.79 0.09 2.61 -4.23 -1.26 0.15 115.64 114.31 2kuf s THR 537 Ca 0.00 -2.04 -0.34 0.00 -1.18 0.00 0.00 61.69 58.13 2kuf s THR 537 Cb 0.00 -2.42 -0.16 0.00 1.34 0.00 0.00 72.50 71.26 2kuf s THR 537 CO 0.00 -0.25 1.59 -1.13 -0.54 0.00 0.00 174.62 174.29 2kuf h ASN 538 N 2.61 -1.13 -3.84 3.99 -0.73 -1.31 -3.41 115.58 111.76 2kuf h ASN 538 Ca -0.44 0.08 -0.51 0.00 1.87 0.00 0.00 56.30 57.31 2kuf h ASN 538 Cb 1.23 0.36 0.03 0.00 0.27 0.00 0.00 38.32 40.21 2kuf h ASN 538 CO 0.55 -0.61 0.50 -2.16 -0.37 0.00 0.00 177.43 175.34 2kuf s PRO 539 N -5.96 4.52 0.69 6.67 0.04 -1.26 -5.02 135.00 134.68 2kuf s PRO 539 Ca -0.18 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 2kuf s PRO 539 Cb 0.05 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.52 2kuf s PRO 539 CO 0.62 0.09 1.11 -1.25 0.04 0.00 0.00 177.00 177.60 2kuf s PRO 540 N -1.64 2.62 0.32 0.56 0.04 -1.26 -4.96 135.00 130.67 2kuf s PRO 540 Ca 0.47 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2kuf s PRO 540 Cb -0.32 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 2kuf s PRO 540 CO 0.42 -1.39 1.48 0.00 0.04 0.00 0.00 177.00 177.55 2kuf s ALA 541 N -2.50 3.62 0.00 8.56 0.00 -1.26 -2.33 121.76 127.85 2kuf s ALA 541 Ca 0.65 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.08 2kuf s ALA 541 Cb -0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2kuf s ALA 541 CO 0.46 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2kuf n GLY 542 N 1.35 2.10 3.68 0.00 0.00 0.78 -5.00 105.19 108.10 2kuf n GLY 542 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.49 4.13 -0.13 2.61 2.01 -0.98 -4.72 115.64 116.07 2kuf s THR 543 Ca 0.00 1.43 -0.29 0.00 0.31 0.00 0.00 61.69 63.14 2kuf s THR 543 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2kuf s THR 543 CO 0.00 -0.06 0.99 0.28 -0.69 0.00 0.00 174.62 175.15 2kuf s THR 544 N 2.84 4.78 0.20 -0.82 -1.32 -1.26 -1.92 115.64 118.14 2kuf s THR 544 Ca 0.58 2.00 0.10 0.00 -1.21 0.00 0.00 61.69 63.16 2kuf s THR 544 Cb -0.25 -4.30 -0.04 0.00 -1.51 0.00 0.00 72.50 66.40 2kuf s THR 544 CO 0.20 -0.02 -0.20 0.68 -2.21 0.00 0.00 174.62 173.08 2kuf s VAL 545 N 2.16 2.10 0.30 5.08 -7.23 0.91 -4.89 120.40 118.83 2kuf s VAL 545 Ca 0.47 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 2kuf s VAL 545 Cb -0.18 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 2kuf s VAL 545 CO 0.16 -0.31 1.31 -2.84 -0.31 0.00 0.00 175.10 173.11 2kuf s PRO 546 N -3.02 4.37 0.62 4.82 0.02 -1.26 -0.69 135.00 139.86 2kuf s PRO 546 Ca 0.21 2.17 0.39 0.00 0.02 0.00 0.00 61.00 63.80 2kuf s PRO 546 Cb -0.06 -3.10 1.99 0.00 0.02 0.00 0.00 34.50 33.36 2kuf s PRO 546 CO 0.09 -0.20 2.22 -0.24 -0.33 0.00 0.00 177.00 178.55 2kuf h VAL 547 N 3.21 0.06 0.00 3.83 3.04 -0.62 -1.10 116.25 124.68 2kuf h VAL 547 Ca -0.48 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2kuf h VAL 547 Cb 1.22 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2kuf h VAL 547 CO 0.69 0.01 -0.68 -2.24 -1.01 0.00 0.00 177.57 174.34 2kuf h ASP 548 N 0.00 0.00 -3.49 3.17 2.03 -1.91 -3.39 116.42 112.84 2kuf h ASP 548 Ca -0.00 -0.10 -0.49 0.00 -0.73 0.00 0.00 57.03 55.71 2kuf h ASP 548 Cb 0.20 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.73 2kuf h ASP 548 CO 0.00 0.05 0.07 -0.44 -1.03 0.00 0.00 179.24 177.89 2kuf s SER 549 N -4.90 6.28 -0.11 4.15 0.01 -0.42 -4.72 113.70 114.00 2kuf s SER 549 Ca 0.04 0.88 -0.20 0.00 1.31 0.00 0.00 55.95 57.98 2kuf s SER 549 Cb 0.11 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 2kuf s SER 549 CO 0.74 -0.53 0.56 -0.69 0.41 0.00 0.00 173.24 173.73 2kuf s VAL 550 N -2.66 5.13 0.04 3.43 1.01 -1.26 -2.82 120.40 123.27 2kuf s VAL 550 Ca 0.47 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 63.42 2kuf s VAL 550 Cb -0.10 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 2kuf s VAL 550 CO 0.43 0.28 0.48 -0.63 0.00 0.00 0.00 175.10 175.66 2kuf s ILE 551 N 0.78 4.91 -0.29 2.22 1.01 0.92 -4.94 121.20 125.80 2kuf s ILE 551 Ca 0.30 0.97 -0.10 0.00 0.00 0.00 0.00 60.65 61.82 2kuf s ILE 551 Cb -0.16 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2kuf s ILE 551 CO 0.13 0.53 0.15 -0.70 0.00 0.00 0.00 174.94 175.05 2kuf s GLU 552 N -1.19 3.58 -0.25 2.79 2.12 -1.26 -1.21 118.70 123.26 2kuf s GLU 552 Ca 0.27 -0.56 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 2kuf s GLU 552 Cb -0.18 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 2kuf s GLU 552 CO 0.16 -0.31 0.18 -0.51 -0.54 0.00 0.00 175.26 174.24 2kuf s LEU 553 N 1.66 4.08 -0.53 2.70 1.02 -0.11 -0.77 118.68 126.74 2kuf s LEU 553 Ca 0.06 0.08 -0.24 0.00 0.02 0.00 0.00 54.13 54.05 2kuf s LEU 553 Cb -0.16 -2.13 0.04 0.00 0.02 0.00 0.00 46.19 43.96 2kuf s LEU 553 CO 0.07 0.02 0.94 -1.10 0.02 0.00 0.00 176.35 176.30 2kuf s GLN 554 N 1.32 3.38 -0.01 1.70 1.11 0.12 -0.30 119.66 126.99 2kuf s GLN 554 Ca 0.08 -0.15 0.00 0.00 0.01 0.00 0.00 55.36 55.30 2kuf s GLN 554 Cb -0.14 -4.02 -0.04 0.00 -1.01 0.00 0.00 33.01 27.80 2kuf s GLN 554 CO 0.07 -1.42 0.05 0.08 0.01 0.00 0.00 175.29 174.08 2kuf s VAL 555 N 3.91 4.52 -0.17 1.09 1.01 0.67 -1.23 120.40 130.20 2kuf s VAL 555 Ca 0.32 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2kuf s VAL 555 Cb -0.12 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2kuf s VAL 555 CO 0.21 0.37 0.43 -0.44 0.00 0.00 0.00 175.10 175.67 2kuf s SER 556 N -1.64 6.53 -0.18 3.32 0.01 -0.13 -0.52 113.70 121.09 2kuf s SER 556 Ca 0.21 0.63 -0.11 0.00 1.31 0.00 0.00 55.95 57.99 2kuf s SER 556 Cb -0.12 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2kuf s SER 556 CO 0.12 -0.06 0.17 -1.59 0.41 0.00 0.00 173.24 172.30 2kuf s LYS 557 N 1.09 4.11 0.56 12.44 -2.85 0.72 -2.67 119.74 133.13 2kuf s LYS 557 Ca 0.22 -0.13 0.30 0.00 -1.00 0.00 0.00 55.97 55.36 2kuf s LYS 557 Cb -0.15 -3.39 1.68 0.00 -2.06 0.00 0.00 37.83 33.91 2kuf s LYS 557 CO 0.08 0.35 2.16 0.78 0.10 0.00 0.00 175.35 178.83 2kuf h GLY 558 N 6.43 0.00 0.00 0.59 0.00 -1.61 -1.05 103.07 107.43 2kuf h GLY 558 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2kuf h GLY 558 CO 0.73 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.26 2kuf n ASN 559 N -3.63 0.00 -4.71 0.19 2.85 -1.26 -4.52 115.26 104.18 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 0.17 -0.04 -0.07 0.00 1.24 0.00 0.00 39.78 41.09 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 0.00 2.36 0.05 1.20 -0.21 -1.26 -2.13 119.66 119.67 2kuf s GLN 560 Ca 0.00 -1.50 -0.02 0.00 0.02 0.00 0.00 55.36 53.86 2kuf s GLN 560 Cb 0.00 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 2kuf s GLN 560 CO 0.00 0.19 0.01 -0.59 -2.12 0.00 0.00 175.29 172.78 2kuf s PHE 561 N -2.39 0.39 0.01 0.91 -0.71 -0.57 -4.90 117.98 110.73 2kuf s PHE 561 Ca 0.36 -0.84 -0.30 0.00 -1.04 0.00 0.00 56.93 55.10 2kuf s PHE 561 Cb -0.04 -0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.43 2kuf s PHE 561 CO 0.22 -0.35 1.32 0.54 -1.34 0.00 0.00 175.22 175.60 2kuf s VAL 562 N -3.24 3.84 -0.05 -2.49 0.11 -1.26 -0.77 120.40 116.54 2kuf s VAL 562 Ca 0.01 1.25 -0.14 0.00 -2.93 0.00 0.00 61.98 60.17 2kuf s VAL 562 Cb 0.03 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 31.02 2kuf s VAL 562 CO -0.08 0.03 0.37 -0.32 -3.33 0.00 0.00 175.10 171.78 2kuf s MET 563 N 1.93 3.98 0.94 1.54 1.75 -0.54 -4.93 119.30 123.96 2kuf s MET 563 Ca 0.61 0.31 -0.12 0.00 -1.25 0.00 0.00 55.69 55.24 2kuf s MET 563 Cb -0.30 -3.28 0.16 0.00 2.84 0.00 0.00 34.83 34.25 2kuf s MET 563 CO 0.26 0.56 1.12 -2.14 -0.65 0.00 0.00 175.02 174.18 2kuf s PRO 564 N -0.61 0.90 0.17 4.11 0.02 -1.26 -0.32 135.00 138.00 2kuf s PRO 564 Ca 0.22 0.37 -0.24 0.00 0.02 0.00 0.00 61.00 61.37 2kuf s PRO 564 Cb -0.15 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 2kuf s PRO 564 CO 0.11 -2.38 0.75 0.34 -0.33 0.00 0.00 177.00 175.49 2kuf s ASP 565 N -3.83 7.31 -0.01 2.53 -1.08 -1.26 -4.67 116.67 115.67 2kuf s ASP 565 Ca 0.64 1.58 0.01 0.00 -0.52 0.00 0.00 52.55 54.26 2kuf s ASP 565 Cb -0.16 -2.48 0.01 0.00 -1.46 0.00 0.00 42.92 38.84 2kuf s ASP 565 CO 0.55 0.19 0.85 0.00 0.52 0.00 0.00 175.17 177.28 2kuf n LEU 566 N 1.48 0.14 -4.82 -1.34 -0.00 -1.26 -5.09 117.00 106.11 2kuf n LEU 566 Ca -0.06 -0.79 -0.33 0.00 -0.00 0.00 0.00 56.01 54.83 2kuf n LEU 566 Cb 0.49 -0.02 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 2kuf n LEU 566 CO 0.45 0.20 0.65 -0.94 -0.00 0.00 0.00 177.39 177.75 2kuf s SER 567 N -0.76 6.90 0.00 1.45 1.04 -1.26 -4.01 113.70 117.05 2kuf s SER 567 Ca 0.01 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.14 2kuf s SER 567 Cb 0.01 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2kuf s SER 567 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2kuf n GLY 568 N -0.68 0.80 2.13 7.32 0.00 -0.05 -4.94 105.19 109.78 2kuf n GLY 568 Ca 0.07 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 2kuf n GLY 568 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kuf n MET 569 N -1.01 0.65 -3.97 1.61 0.00 -1.26 -4.72 117.12 108.42 2kuf n MET 569 Ca 0.00 -2.19 -0.22 0.00 0.00 0.00 0.00 57.70 55.28 2kuf n MET 569 Cb 0.37 1.27 -0.05 0.00 0.00 0.00 0.00 33.22 34.80 2kuf n MET 569 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2kuf s PHE 570 N -2.57 2.77 0.41 3.17 0.08 -1.26 0.06 117.98 120.65 2kuf s PHE 570 Ca 0.15 -0.36 0.13 0.00 0.12 0.00 0.00 56.93 56.96 2kuf s PHE 570 Cb 0.01 -1.73 0.88 0.00 -0.57 0.00 0.00 43.02 41.61 2kuf s PHE 570 CO 0.10 0.26 1.93 2.35 -0.10 0.00 0.00 175.22 179.77 2kuf h TRP 571 N 1.41 0.05 0.00 0.36 2.91 -1.97 0.16 115.95 118.87 2kuf h TRP 571 Ca -0.44 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.57 2kuf h TRP 571 Cb 1.25 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 2kuf h TRP 571 CO 0.59 0.27 0.00 1.55 -1.03 0.00 0.00 178.44 179.82 2kuf n VAL 572 N -4.25 0.76 -0.12 2.65 3.14 -1.26 -0.69 118.33 118.56 2kuf n VAL 572 Ca -0.02 0.17 -0.17 0.00 -2.96 0.00 0.00 64.34 61.36 2kuf n VAL 572 Cb 0.29 -0.91 -0.11 0.00 -1.06 0.00 0.00 33.84 32.05 2kuf n VAL 572 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2kuf n ASP 573 N -1.65 2.12 -0.27 6.55 -0.08 -0.37 -4.44 116.55 118.40 2kuf n ASP 573 Ca 0.04 -0.09 -0.05 0.00 -1.51 0.00 0.00 54.79 53.18 2kuf n ASP 573 Cb 0.22 -0.41 0.06 0.00 2.34 0.00 0.00 41.12 43.34 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kuf h ALA 574 N -0.08 0.94 0.31 -1.67 0.00 -0.13 0.10 119.26 118.74 2kuf h ALA 574 Ca -0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2kuf h ALA 574 Cb 1.80 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2kuf h ALA 574 CO -0.11 0.38 -0.16 1.49 0.00 0.00 0.00 179.25 180.85 2kuf h GLU 575 N 1.01 -0.42 -0.52 0.00 4.81 -1.16 -1.83 114.58 116.47 2kuf h GLU 575 Ca 0.27 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.63 2kuf h GLU 575 Cb -0.09 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2kuf h GLU 575 CO -0.06 -0.28 0.35 -1.35 -0.73 0.00 0.00 179.01 176.95 2kuf h PRO 576 N -0.44 0.25 -0.76 0.92 0.11 -1.73 -2.39 132.00 127.96 2kuf h PRO 576 Ca -0.04 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.07 2kuf h PRO 576 Cb 0.34 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 2kuf h PRO 576 CO 0.06 0.17 0.50 0.00 -0.21 0.00 0.00 178.00 178.52 2kuf h ARG 577 N 0.26 0.99 -0.19 1.05 2.47 -0.24 -0.60 114.38 118.12 2kuf h ARG 577 Ca 0.24 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 2kuf h ARG 577 Cb 0.61 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2kuf h ARG 577 CO -0.05 0.66 0.01 1.37 0.56 0.00 0.00 179.97 182.52 2kuf h LEU 578 N 1.02 0.31 -0.86 3.04 8.10 -0.82 0.22 115.31 126.32 2kuf h LEU 578 Ca 0.28 -0.29 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 2kuf h LEU 578 Cb -0.10 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.01 2kuf h LEU 578 CO -0.07 0.53 -0.04 0.08 -4.11 0.00 0.00 178.44 174.83 2kuf h ARG 579 N 0.09 0.80 -0.08 0.17 0.11 -1.49 0.91 114.38 114.89 2kuf h ARG 579 Ca 0.05 -0.24 -0.13 0.00 0.10 0.00 0.00 59.98 59.76 2kuf h ARG 579 Cb 0.36 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 2kuf h ARG 579 CO 0.01 0.84 -0.54 0.00 0.10 0.00 0.00 179.97 180.37 2kuf h ALA 580 N 1.21 0.93 -0.00 0.08 0.00 -0.86 -2.99 119.26 117.63 2kuf h ALA 580 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kuf h ALA 580 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kuf h ALA 580 CO 0.03 0.69 -0.26 -0.11 0.00 0.00 0.00 179.25 179.59 2kuf n LEU 581 N -3.92 0.34 -0.38 0.00 7.94 0.75 -4.92 117.00 116.81 2kuf n LEU 581 Ca -0.02 0.16 -0.05 0.00 -1.11 0.00 0.00 56.01 55.00 2kuf n LEU 581 Cb 0.57 -0.32 -0.02 0.00 0.53 0.00 0.00 43.42 44.18 2kuf n LEU 581 CO 0.44 0.08 -0.05 0.61 -1.11 0.00 0.00 177.39 177.36 2kuf n GLY 582 N 1.46 0.65 3.70 -3.96 0.00 -0.11 -5.00 105.19 101.92 2kuf n GLY 582 Ca 0.07 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.18 3.49 -0.54 1.61 -0.00 0.13 -4.94 118.94 116.50 2kuf s TRP 583 Ca 0.00 1.13 0.05 0.00 -0.00 0.00 0.00 56.10 57.28 2kuf s TRP 583 Cb 0.00 -2.81 0.06 0.00 -0.00 0.00 0.00 33.47 30.72 2kuf s TRP 583 CO 0.00 -0.02 0.75 -2.37 -0.00 0.00 0.00 176.95 175.31 2kuf n THR 584 N 4.15 0.23 -1.44 5.86 5.66 -1.26 -4.30 114.28 123.17 2kuf n THR 584 Ca -0.01 -0.61 -0.30 0.00 -3.05 0.00 0.00 64.05 60.08 2kuf n THR 584 Cb 0.51 0.96 0.21 0.00 -1.55 0.00 0.00 70.33 70.46 2kuf n THR 584 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kuf s GLY 585 N -0.53 1.66 -0.07 1.09 0.00 -1.09 -5.03 107.32 103.35 2kuf s GLY 585 Ca 0.06 -1.00 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 2kuf s GLY 585 CO 0.06 -0.19 0.24 1.06 0.00 0.00 0.00 173.10 174.27 2kuf s MET 586 N -5.57 3.61 -0.32 2.90 -1.94 -1.26 -4.98 119.30 111.75 2kuf s MET 586 Ca 0.71 0.06 -0.22 0.00 -1.71 0.00 0.00 55.69 54.54 2kuf s MET 586 Cb -0.08 -3.20 -0.00 0.00 2.01 0.00 0.00 34.83 33.56 2kuf s MET 586 CO 0.55 0.75 0.72 -1.17 -0.01 0.00 0.00 175.02 175.85 2kuf s LEU 587 N -1.07 4.13 -0.28 -0.03 2.96 -1.26 -4.13 118.68 119.00 2kuf s LEU 587 Ca 0.18 0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 54.52 2kuf s LEU 587 Cb -0.14 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 2kuf s LEU 587 CO 0.08 -0.58 0.09 -0.62 -1.32 0.00 0.00 176.35 174.00 2kuf s ASP 588 N 1.67 5.18 -0.07 3.68 2.15 -0.84 -5.04 116.67 123.41 2kuf s ASP 588 Ca 0.29 -0.44 -0.16 0.00 0.43 0.00 0.00 52.55 52.67 2kuf s ASP 588 Cb -0.14 -1.92 -0.05 0.00 -0.30 0.00 0.00 42.92 40.51 2kuf s ASP 588 CO 0.13 -0.12 0.42 -1.59 -0.17 0.00 0.00 175.17 173.84 2kuf s LYS 589 N 1.57 4.14 0.00 4.34 0.00 -1.26 -0.47 119.74 128.06 2kuf s LYS 589 Ca 0.05 0.38 0.00 0.00 0.00 0.00 0.00 55.97 56.40 2kuf s LYS 589 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 37.83 34.33 2kuf s LYS 589 CO 0.04 0.41 0.06 0.41 0.00 0.00 0.00 175.35 176.27 2kuf n GLY 590 N 2.63 0.79 3.03 0.59 0.00 0.13 -4.89 105.19 107.47 2kuf n GLY 590 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.55 0.29 -0.21 4.61 0.00 -1.26 -5.05 121.76 116.58 2kuf s ALA 591 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 2kuf s ALA 591 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2kuf s ALA 591 CO 0.00 -0.26 0.11 0.16 0.00 0.00 0.00 175.76 175.78 2kuf s ASP 592 N -2.12 5.92 -0.16 0.00 -4.77 -1.26 -3.57 116.67 110.72 2kuf s ASP 592 Ca -0.06 0.12 -0.06 0.00 -3.30 0.00 0.00 52.55 49.25 2kuf s ASP 592 Cb -0.02 -2.04 -0.04 0.00 -1.09 0.00 0.00 42.92 39.73 2kuf s ASP 592 CO -0.05 0.13 0.05 -0.69 0.70 0.00 0.00 175.17 175.31 2kuf s VAL 593 N 0.65 4.74 0.01 2.11 1.01 -1.18 -4.88 120.40 122.86 2kuf s VAL 593 Ca 0.06 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2kuf s VAL 593 Cb -0.12 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2kuf s VAL 593 CO 0.01 0.50 1.31 -0.62 0.00 0.00 0.00 175.10 176.30 2kuf s ASP 594 N 0.00 6.95 0.32 3.32 2.15 -1.26 -0.20 116.67 127.95 2kuf s ASP 594 Ca 0.06 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.08 2kuf s ASP 594 Cb -0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2kuf s ASP 594 CO 0.01 -0.62 0.00 0.00 -0.17 0.00 0.00 175.17 174.39 2kuf n ALA 595 N 4.84 1.36 0.00 3.66 0.00 -1.26 -4.89 120.51 124.22 2kuf n ALA 595 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2kuf n ALA 595 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2kuf n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 596 N -0.14 4.28 0.34 0.00 0.00 -1.26 -4.93 105.19 103.47 2kuf n GLY 596 Ca 0.00 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.30 2.00 -0.02 0.00 -2.00 -0.23 103.07 103.13 2kuf h GLY 597 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2kuf h GLY 597 CO 0.00 0.06 -0.03 0.23 0.00 0.00 0.00 176.54 176.80 2kuf h SER 598 N 0.22 0.00 0.77 0.19 0.87 -1.93 -0.06 113.55 113.61 2kuf h SER 598 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2kuf h SER 598 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2kuf h SER 598 CO -0.04 0.03 -0.45 0.00 -0.53 0.00 0.00 176.83 175.84 2kuf n GLN 599 N -3.57 0.13 -3.18 2.24 1.13 -0.10 -4.98 117.38 109.05 2kuf n GLN 599 Ca -0.03 0.05 -0.09 0.00 -1.94 0.00 0.00 57.00 54.99 2kuf n GLN 599 Cb 0.12 -1.59 0.01 0.00 0.11 0.00 0.00 30.24 28.89 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 -1.78 -2.91 -2.73 1.08 8.25 -0.04 -4.85 115.22 112.24 2kuf n HIS 600 Ca 0.05 1.15 -0.42 0.00 -0.26 0.00 0.00 57.72 58.23 2kuf n HIS 600 Cb 0.38 -3.70 -0.03 0.00 1.12 0.00 0.00 29.99 27.76 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 -2.80 6.41 0.95 0.41 0.01 -1.26 -4.97 114.94 113.69 2kuf s ASN 601 Ca 0.08 -1.36 -0.13 0.00 -0.71 0.00 0.00 52.86 50.74 2kuf s ASN 601 Cb -0.02 -2.49 0.16 0.00 0.41 0.00 0.00 41.25 39.32 2kuf s ASN 601 CO 0.79 -1.42 1.15 -0.13 -1.51 0.00 0.00 177.10 175.98 2kuf s ARG 602 N 4.25 0.79 0.18 -0.60 0.52 -1.26 -3.12 118.95 119.71 2kuf s ARG 602 Ca 0.35 0.21 -0.32 0.00 -0.52 0.00 0.00 55.73 55.45 2kuf s ARG 602 Cb -0.06 -1.81 -0.12 0.00 0.52 0.00 0.00 34.95 33.48 2kuf s ARG 602 CO -0.02 -2.42 1.71 0.28 0.02 0.00 0.00 175.30 174.87 2kuf n VAL 603 N -3.90 0.05 -0.04 3.52 0.31 0.11 -3.34 118.33 115.03 2kuf n VAL 603 Ca 0.08 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.37 2kuf n VAL 603 Cb 0.59 -1.89 -0.08 0.00 -0.91 0.00 0.00 33.84 31.55 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 3.94 0.54 -3.86 2.52 0.24 -0.72 -0.87 118.33 120.12 2kuf n VAL 604 Ca 0.17 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 2kuf n VAL 604 Cb 0.34 -0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 32.02 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 0.08 -0.05 6.34 5.04 -1.08 -4.96 117.35 120.37 2kuf s TYR 605 Ca -0.05 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.63 2kuf s TYR 605 Cb 0.04 -0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.22 2kuf s TYR 605 CO 0.42 -0.04 -0.06 1.14 -1.34 0.00 0.00 175.55 175.66 2kuf s GLN 606 N 0.47 1.09 0.08 4.97 -2.07 -1.26 -0.22 119.66 122.71 2kuf s GLN 606 Ca -0.04 -0.19 -0.31 0.00 -1.82 0.00 0.00 55.36 53.01 2kuf s GLN 606 Cb -0.06 -1.03 -0.17 0.00 -1.09 0.00 0.00 33.01 30.65 2kuf s GLN 606 CO -0.01 -0.07 1.64 -0.97 -1.32 0.00 0.00 175.29 174.56 2kuf h ASN 607 N 7.23 -0.67 -3.27 12.60 -0.73 -1.37 -3.37 115.58 125.99 2kuf h ASN 607 Ca -0.35 0.03 -0.57 0.00 1.87 0.00 0.00 56.30 57.28 2kuf h ASN 607 Cb 1.16 0.19 -0.06 0.00 0.27 0.00 0.00 38.32 39.87 2kuf h ASN 607 CO 0.46 -0.45 0.87 -2.84 -0.37 0.00 0.00 177.43 175.09 2kuf s PRO 608 N -6.07 4.05 0.79 6.67 0.02 -1.26 -5.03 135.00 134.17 2kuf s PRO 608 Ca -0.17 1.13 -0.11 0.00 0.02 0.00 0.00 61.00 61.87 2kuf s PRO 608 Cb 0.04 -3.76 0.07 0.00 0.02 0.00 0.00 34.50 30.87 2kuf s PRO 608 CO 0.63 -0.92 1.09 -2.14 -0.33 0.00 0.00 177.00 175.32 2kuf s PRO 609 N 3.72 2.13 0.36 5.54 0.02 -1.26 -4.96 135.00 140.55 2kuf s PRO 609 Ca 0.47 1.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.25 2kuf s PRO 609 Cb -0.13 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 2kuf s PRO 609 CO 0.16 -1.70 1.52 0.00 -0.33 0.00 0.00 177.00 176.66 2kuf s ALA 610 N -2.94 3.62 0.00 -1.55 0.00 -1.26 -2.18 121.76 117.44 2kuf s ALA 610 Ca 0.61 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.17 2kuf s ALA 610 Cb -0.17 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2kuf s ALA 610 CO 0.56 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2kuf n GLY 611 N 0.79 1.28 3.88 0.00 0.00 0.56 -4.98 105.19 106.72 2kuf n GLY 611 Ca 0.02 0.00 -0.31 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 -2.56 4.93 0.04 2.61 2.01 -0.93 -4.68 115.64 117.06 2kuf s THR 612 Ca 0.00 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 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 -0.18 1.09 -0.83 -0.69 0.00 0.00 174.62 174.01 2kuf s GLY 613 N -2.64 2.66 0.02 4.40 0.00 -1.26 -1.47 107.32 109.03 2kuf s GLY 613 Ca 0.47 0.70 0.08 0.00 0.00 0.00 0.00 44.72 45.98 2kuf s GLY 613 CO 0.24 1.86 -0.25 -1.34 0.00 0.00 0.00 173.10 173.61 2kuf s VAL 614 N 1.00 2.19 1.07 1.40 -7.23 0.05 -4.89 120.40 114.00 2kuf s VAL 614 Ca 0.55 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 2kuf s VAL 614 Cb -0.25 -1.83 0.07 0.00 0.56 0.00 0.00 36.38 34.93 2kuf s VAL 614 CO 0.29 0.44 0.03 -0.46 -0.31 0.00 0.00 175.10 175.09 2kuf n ASN 615 N 2.00 -2.41 0.25 4.85 6.94 -1.26 -1.50 115.26 124.13 2kuf n ASN 615 Ca -0.17 0.01 0.15 0.00 -0.02 0.00 0.00 54.58 54.56 2kuf n ASN 615 Cb 0.52 -1.00 0.86 0.00 -2.36 0.00 0.00 39.78 37.80 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 -1.87 0.00 -0.00 -3.83 0.11 -1.81 0.23 114.38 107.21 2kuf h ARG 616 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2kuf h ARG 616 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 2kuf h ARG 616 CO 0.36 0.00 -0.22 -0.25 0.10 0.00 0.00 179.97 179.96 2kuf n ASP 617 N -3.89 0.49 -0.99 0.08 8.00 -1.26 -4.88 116.55 114.10 2kuf n ASP 617 Ca -0.01 -0.35 -0.13 0.00 0.71 0.00 0.00 54.79 55.01 2kuf n ASP 617 Cb 0.19 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.39 1.34 3.66 0.44 0.00 0.81 -2.66 105.19 110.17 2kuf n GLY 618 Ca 0.10 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.38 3.90 -0.04 -0.61 -1.16 -1.26 -4.91 121.20 114.74 2kuf s ILE 619 Ca 0.00 1.09 0.03 0.00 -0.51 0.00 0.00 60.65 61.26 2kuf s ILE 619 Cb 0.00 -3.72 0.00 0.00 0.61 0.00 0.00 42.46 39.35 2kuf s ILE 619 CO 0.00 -0.12 -0.14 0.27 -2.81 0.00 0.00 174.94 172.15 2kuf s ILE 620 N 3.88 1.20 -0.18 2.00 -4.36 -1.26 -4.89 121.20 117.59 2kuf s ILE 620 Ca 0.65 -0.57 -0.07 0.00 -0.26 0.00 0.00 60.65 60.40 2kuf s ILE 620 Cb -0.27 -1.05 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 2kuf s ILE 620 CO 0.23 0.36 0.04 0.28 0.24 0.00 0.00 174.94 176.08 2kuf s THR 621 N 0.21 4.59 0.15 8.37 -1.32 -1.26 -1.98 115.64 124.40 2kuf s THR 621 Ca -0.06 -0.11 -0.00 0.00 -1.21 0.00 0.00 61.69 60.31 2kuf s THR 621 Cb -0.12 -3.06 -0.04 0.00 -1.51 0.00 0.00 72.50 67.78 2kuf s THR 621 CO 0.02 0.47 0.05 -1.48 -2.21 0.00 0.00 174.62 171.47 2kuf s LEU 622 N 0.35 1.79 0.02 9.08 2.34 0.37 -0.82 118.68 131.82 2kuf s LEU 622 Ca 0.01 -1.22 0.01 0.00 0.06 0.00 0.00 54.13 53.00 2kuf s LEU 622 Cb -0.13 0.22 -0.02 0.00 -0.56 0.00 0.00 46.19 45.71 2kuf s LEU 622 CO 0.01 -0.71 -0.05 0.00 -1.06 0.00 0.00 176.35 174.54 2kuf s ARG 623 N -4.03 0.38 0.17 1.48 1.70 0.70 0.21 118.95 119.55 2kuf s ARG 623 Ca 0.26 -0.53 0.01 0.00 -0.47 0.00 0.00 55.73 54.99 2kuf s ARG 623 Cb 0.07 -0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.27 2kuf s ARG 623 CO 0.03 0.02 0.03 -0.59 -1.08 0.00 0.00 175.30 173.71 2kuf s PHE 624 N -1.05 1.16 0.00 5.89 -0.71 -1.23 -1.75 117.98 120.28 2kuf s PHE 624 Ca -0.09 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 54.71 2kuf s PHE 624 Cb -0.08 -0.66 0.00 0.00 -1.21 0.00 0.00 43.02 41.07 2kuf s PHE 624 CO -0.00 -0.31 0.00 0.41 -1.34 0.00 0.00 175.22 173.98 2kuf n GLY 625 N -0.23 -0.05 0.48 1.99 0.00 -1.18 -3.13 105.19 103.06 2kuf n GLY 625 Ca -0.05 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.32 2kuf n GLY 625 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14