#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 2.42 0.00 1.61 0.04 -1.26 -4.95 135.00 132.87 2kuf s PRO 492 Ca 0.00 0.93 0.18 0.00 0.04 0.00 0.00 61.00 62.15 2kuf s PRO 492 Cb 0.00 -1.93 0.75 0.00 0.04 0.00 0.00 34.50 33.35 2kuf s PRO 492 CO 0.00 -1.46 1.53 0.00 0.04 0.00 0.00 177.00 177.11 2kuf n ALA 493 N -3.37 2.53 -2.86 8.56 0.00 -1.26 -4.77 120.51 119.34 2kuf n ALA 493 Ca 0.08 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 2kuf n ALA 493 Cb 0.54 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 2kuf n ALA 493 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kuf s THR 494 N -1.82 0.10 0.00 0.00 -4.23 -1.26 -0.10 115.64 108.33 2kuf s THR 494 Ca 0.29 -0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2kuf s THR 494 Cb 0.15 -0.11 -0.00 0.00 1.34 0.00 0.00 72.50 73.88 2kuf s THR 494 CO 0.23 -0.03 0.08 -1.59 -0.54 0.00 0.00 174.62 172.77 2kuf s LYS 495 N -0.19 0.38 0.22 3.99 -2.85 0.53 -4.84 119.74 116.99 2kuf s LYS 495 Ca -0.01 -0.38 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 2kuf s LYS 495 Cb -0.01 0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.82 2kuf s LYS 495 CO -0.00 -0.08 0.97 0.16 0.10 0.00 0.00 175.35 176.50 2kuf s ASP 496 N -1.19 7.57 -0.08 0.03 -4.77 -1.26 -0.71 116.67 116.26 2kuf s ASP 496 Ca -0.13 1.97 -0.12 0.00 -3.30 0.00 0.00 52.55 50.98 2kuf s ASP 496 Cb -0.07 -2.61 -0.05 0.00 -1.09 0.00 0.00 42.92 39.10 2kuf s ASP 496 CO 0.01 0.07 0.29 0.27 0.70 0.00 0.00 175.17 176.51 2kuf s ILE 497 N -0.97 5.25 0.58 2.11 -4.36 -0.22 -4.92 121.20 118.66 2kuf s ILE 497 Ca 0.43 0.56 -0.03 0.00 -0.26 0.00 0.00 60.65 61.35 2kuf s ILE 497 Cb -0.27 -3.59 0.12 0.00 1.25 0.00 0.00 42.46 39.97 2kuf s ILE 497 CO 0.33 0.54 0.79 -0.81 0.24 0.00 0.00 174.94 176.03 2kuf n PRO 498 N 2.34 -0.14 -3.83 0.37 -0.04 -1.26 -0.43 135.00 132.00 2kuf n PRO 498 Ca -0.15 -1.92 -0.36 0.00 -0.04 0.00 0.00 63.50 61.02 2kuf n PRO 498 Cb 0.53 -0.60 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 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 -4.15 6.35 -0.13 3.54 -4.77 -1.26 -4.80 116.67 111.45 2kuf s ASP 499 Ca 0.51 0.41 0.15 0.00 -3.30 0.00 0.00 52.55 50.32 2kuf s ASP 499 Cb -0.03 -2.08 0.48 0.00 -1.09 0.00 0.00 42.92 40.20 2kuf s ASP 499 CO 0.34 0.35 1.38 1.33 0.70 0.00 0.00 175.17 179.27 2kuf n VAL 500 N 2.40 1.95 -2.20 2.11 0.24 -1.26 -4.95 118.33 116.62 2kuf n VAL 500 Ca -0.19 -1.64 -0.40 0.00 -2.04 0.00 0.00 64.34 60.08 2kuf n VAL 500 Cb 0.54 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.34 2.40 0.00 2.33 0.00 -1.26 -3.52 121.76 119.37 2kuf s ALA 501 Ca 0.37 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2kuf s ALA 501 Cb 0.28 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2kuf s ALA 501 CO 0.11 -3.61 0.00 0.41 0.00 0.00 0.00 175.76 172.67 2kuf n GLY 502 N 5.57 0.66 0.43 0.00 0.00 -1.22 -5.00 105.19 105.63 2kuf n GLY 502 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 0.85 -1.81 1.61 0.00 -1.23 -4.88 117.38 111.92 2kuf n GLN 503 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 57.00 56.34 2kuf n GLN 503 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 30.24 30.24 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 0.42 3.39 0.16 -0.39 2.01 -1.26 -2.48 115.64 117.49 2kuf s THR 504 Ca 0.07 0.64 -0.12 0.00 0.31 0.00 0.00 61.69 62.60 2kuf s THR 504 Cb -0.01 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.38 2kuf s THR 504 CO 0.04 -0.41 1.64 1.62 -0.69 0.00 0.00 174.62 176.83 2kuf h VAL 505 N 0.09 1.26 -0.71 3.82 3.04 -0.59 0.19 116.25 123.35 2kuf h VAL 505 Ca -0.47 -1.01 -0.02 0.00 -1.01 0.00 0.00 66.70 64.19 2kuf h VAL 505 Cb 1.24 0.84 -0.03 0.00 -2.01 0.00 0.00 31.29 31.33 2kuf h VAL 505 CO 0.55 0.36 0.36 -0.78 -1.01 0.00 0.00 177.57 177.05 2kuf h ASP 506 N 0.81 0.90 -0.04 3.17 1.82 -1.93 0.22 116.42 121.38 2kuf h ASP 506 Ca 0.16 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2kuf h ASP 506 Cb 0.45 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 2kuf h ASP 506 CO 0.02 0.75 -0.06 0.58 -1.61 0.00 0.00 179.24 178.91 2kuf h VAL 507 N 1.00 1.42 -0.66 2.25 2.07 -1.84 -2.48 116.25 118.02 2kuf h VAL 507 Ca 0.25 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2kuf h VAL 507 Cb 0.08 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2kuf h VAL 507 CO -0.04 0.36 0.40 0.00 0.02 0.00 0.00 177.57 178.32 2kuf h ALA 508 N 0.48 1.47 -0.33 1.67 0.00 -0.07 0.37 119.26 122.85 2kuf h ALA 508 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2kuf h ALA 508 Cb 0.62 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kuf h ALA 508 CO 0.01 0.46 0.05 1.96 0.00 0.00 0.00 179.25 181.74 2kuf h GLN 509 N 0.90 0.54 -0.56 0.00 4.20 -0.56 0.23 115.11 119.86 2kuf h GLN 509 Ca 0.24 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 2kuf h GLN 509 Cb -0.05 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2kuf h GLN 509 CO -0.05 0.63 -0.06 0.87 -0.67 0.00 0.00 178.83 179.56 2kuf h LYS 510 N 0.37 1.02 -0.30 1.46 1.79 -0.94 -0.45 116.57 119.52 2kuf h LYS 510 Ca 0.10 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2kuf h LYS 510 Cb 0.35 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2kuf h LYS 510 CO 0.01 1.03 0.19 -0.97 -1.08 0.00 0.00 179.45 178.63 2kuf h ASN 511 N 0.92 0.34 -0.32 0.86 -0.73 -0.02 0.74 115.58 117.37 2kuf h ASN 511 Ca 0.15 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.18 2kuf h ASN 511 Cb 0.61 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 2kuf h ASN 511 CO 0.04 0.26 -0.28 0.25 -0.37 0.00 0.00 177.43 177.33 2kuf h LEU 512 N 0.40 0.81 -1.15 0.34 7.12 -0.44 -3.22 115.31 119.17 2kuf h LEU 512 Ca 0.11 -0.46 -0.05 0.00 0.13 0.00 0.00 57.88 57.61 2kuf h LEU 512 Cb -0.04 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 39.85 2kuf h LEU 512 CO -0.02 1.10 0.07 -1.13 -0.13 0.00 0.00 178.44 178.32 2kuf h ASN 513 N 0.53 0.62 -0.42 1.25 -0.00 -0.26 0.20 115.58 117.50 2kuf h ASN 513 Ca 0.06 -0.11 0.06 0.00 -0.00 0.00 0.00 56.30 56.31 2kuf h ASN 513 Cb 0.85 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.99 2kuf h ASN 513 CO 0.07 0.64 0.28 0.58 -0.00 0.00 0.00 177.43 179.01 2kuf h VAL 514 N 0.64 0.95 -0.09 2.57 2.07 -0.89 0.25 116.25 121.75 2kuf h VAL 514 Ca 0.14 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2kuf h VAL 514 Cb 0.30 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2kuf h VAL 514 CO 0.00 0.05 0.00 -1.22 0.02 0.00 0.00 177.57 176.43 2kuf n TYR 515 N -4.47 0.11 0.04 1.57 4.01 -0.83 -4.77 117.16 112.81 2kuf n TYR 515 Ca 0.05 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2kuf n TYR 515 Cb 0.27 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.17 -0.03 2.32 2.72 0.00 0.63 -5.02 105.19 105.98 2kuf n GLY 516 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.38 -0.68 -1.60 1.61 3.72 0.81 -4.98 117.46 112.95 2kuf n PHE 517 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kuf n PHE 517 Cb 0.12 -3.23 0.00 0.00 -0.94 0.00 0.00 39.48 35.43 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kuf n THR 518 N -3.86 0.00 -4.30 4.37 -2.24 -1.26 -4.90 114.28 102.09 2kuf n THR 518 Ca -0.19 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 2kuf n THR 518 Cb 0.63 -1.55 -0.09 0.00 -2.10 0.00 0.00 70.33 67.23 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 -1.34 2.82 0.04 -0.78 3.01 -0.89 -5.00 119.74 117.60 2kuf s LYS 519 Ca 0.00 -0.58 0.06 0.00 -1.01 0.00 0.00 55.97 54.44 2kuf s LYS 519 Cb 0.00 -2.69 -0.02 0.00 -1.01 0.00 0.00 37.83 34.11 2kuf s LYS 519 CO 0.00 0.64 -0.18 -0.59 0.51 0.00 0.00 175.35 175.73 2kuf s PHE 520 N -1.05 1.57 0.06 3.18 -0.12 -1.26 -0.14 117.98 120.22 2kuf s PHE 520 Ca 0.19 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 2kuf s PHE 520 Cb -0.11 -0.94 -0.03 0.00 -0.63 0.00 0.00 43.02 41.31 2kuf s PHE 520 CO 0.09 0.06 -0.12 -1.12 -0.05 0.00 0.00 175.22 174.09 2kuf s SER 521 N -1.10 1.35 -0.07 1.98 0.01 -0.18 -4.92 113.70 110.76 2kuf s SER 521 Ca 0.05 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 56.77 2kuf s SER 521 Cb -0.08 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2kuf s SER 521 CO 0.01 -0.13 -0.20 0.00 0.41 0.00 0.00 173.24 173.34 2kuf s GLN 522 N -1.66 2.42 -0.19 12.44 -2.07 -1.26 -0.06 119.66 129.28 2kuf s GLN 522 Ca -0.05 -0.72 0.01 0.00 -1.82 0.00 0.00 55.36 52.78 2kuf s GLN 522 Cb -0.10 -1.93 0.02 0.00 -1.09 0.00 0.00 33.01 29.92 2kuf s GLN 522 CO 0.02 0.19 -0.18 0.00 -1.32 0.00 0.00 175.29 173.99 2kuf s ALA 523 N 0.28 2.31 -0.03 2.60 0.00 0.18 -4.96 121.76 122.14 2kuf s ALA 523 Ca -0.13 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 2kuf s ALA 523 Cb -0.16 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2kuf s ALA 523 CO 0.06 -0.45 0.35 -1.54 0.00 0.00 0.00 175.76 174.18 2kuf s SER 524 N 1.29 6.70 0.06 0.00 1.04 -1.26 -0.08 113.70 121.45 2kuf s SER 524 Ca 0.03 0.84 0.04 0.00 0.48 0.00 0.00 55.95 57.34 2kuf s SER 524 Cb -0.14 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 2kuf s SER 524 CO -0.12 0.33 -0.11 0.54 0.98 0.00 0.00 173.24 174.86 2kuf s VAL 525 N -0.96 0.80 0.20 5.02 0.11 0.41 -4.91 120.40 121.08 2kuf s VAL 525 Ca 0.22 -1.20 -0.30 0.00 -2.93 0.00 0.00 61.98 57.77 2kuf s VAL 525 Cb -0.16 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.78 2kuf s VAL 525 CO 0.11 -0.32 1.17 1.51 -3.33 0.00 0.00 175.10 174.24 2kuf s ASP 526 N -1.68 7.12 0.18 3.54 1.47 -1.26 -0.46 116.67 125.58 2kuf s ASP 526 Ca -0.06 2.24 -0.18 0.00 1.18 0.00 0.00 52.55 55.73 2kuf s ASP 526 Cb -0.10 -2.61 0.04 0.00 -0.34 0.00 0.00 42.92 39.91 2kuf s ASP 526 CO 0.01 -0.33 0.52 -0.44 0.68 0.00 0.00 175.17 175.61 2kuf s SER 527 N -0.07 -0.30 0.04 2.11 0.01 -0.64 -4.85 113.70 110.01 2kuf s SER 527 Ca 0.51 -0.38 0.18 0.00 1.31 0.00 0.00 55.95 57.57 2kuf s SER 527 Cb -0.32 0.57 0.76 0.00 0.21 0.00 0.00 66.02 67.23 2kuf s SER 527 CO 0.38 -1.01 1.57 -0.81 0.41 0.00 0.00 173.24 173.78 2kuf n PRO 528 N -0.33 0.04 -2.88 12.44 -0.04 -1.26 -3.80 135.00 139.17 2kuf n PRO 528 Ca -0.12 0.24 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 2kuf n PRO 528 Cb 0.63 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.05 3.93 0.53 0.54 0.52 -1.26 -4.91 118.95 115.25 2kuf s ARG 529 Ca 0.08 0.68 -0.20 0.00 -0.52 0.00 0.00 55.73 55.77 2kuf s ARG 529 Cb 0.11 -2.34 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 2kuf s ARG 529 CO 0.33 -0.00 1.15 -1.25 0.02 0.00 0.00 175.30 175.54 2kuf s PRO 530 N -3.50 3.38 0.07 3.54 0.04 -1.26 -3.00 135.00 134.26 2kuf s PRO 530 Ca 0.55 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2kuf s PRO 530 Cb -0.10 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2kuf s PRO 530 CO 0.24 -0.84 1.70 0.00 0.04 0.00 0.00 177.00 178.15 2kuf s ALA 531 N -1.71 3.69 0.00 8.56 0.00 -1.21 -2.50 121.76 128.59 2kuf s ALA 531 Ca 0.72 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2kuf s ALA 531 Cb -0.26 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2kuf s ALA 531 CO 0.29 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2kuf n GLY 532 N 4.08 1.68 3.75 0.00 0.00 -1.07 -4.89 105.19 108.73 2kuf n GLY 532 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 4.62 -0.38 1.61 2.12 -1.04 0.13 118.70 125.75 2kuf s GLU 533 Ca 0.00 1.76 -0.21 0.00 0.36 0.00 0.00 54.97 56.88 2kuf s GLU 533 Cb 0.00 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.16 2kuf s GLU 533 CO 0.00 0.14 0.65 0.54 -0.54 0.00 0.00 175.26 176.04 2kuf s VAL 534 N -0.63 4.86 0.25 3.70 0.11 -1.04 -0.54 120.40 127.11 2kuf s VAL 534 Ca 0.47 0.46 0.24 0.00 -2.93 0.00 0.00 61.98 60.23 2kuf s VAL 534 Cb -0.31 -4.13 0.24 0.00 -1.53 0.00 0.00 36.38 30.66 2kuf s VAL 534 CO 0.37 -0.41 1.91 0.74 -3.33 0.00 0.00 175.10 174.38 2kuf h THR 535 N 5.75 0.62 0.00 5.04 2.02 -0.98 -3.24 112.91 122.12 2kuf h THR 535 Ca -0.26 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2kuf h THR 535 Cb 1.10 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2kuf h THR 535 CO 0.86 0.21 0.00 0.61 0.37 0.00 0.00 175.52 177.57 2kuf n GLY 536 N -0.18 0.06 3.50 2.16 0.00 -1.23 -4.73 105.19 104.77 2kuf n GLY 536 Ca -0.01 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.26 2.76 0.14 2.61 -4.23 -1.26 0.01 115.64 112.41 2kuf s THR 537 Ca 0.00 -1.90 -0.21 0.00 -1.18 0.00 0.00 61.69 58.40 2kuf s THR 537 Cb 0.00 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.49 2kuf s THR 537 CO 0.00 -0.15 1.66 -1.13 -0.54 0.00 0.00 174.62 174.46 2kuf h ASN 538 N 2.95 -0.51 -3.64 3.99 -0.73 -0.77 -3.42 115.58 113.45 2kuf h ASN 538 Ca -0.46 0.11 -0.50 0.00 1.87 0.00 0.00 56.30 57.32 2kuf h ASN 538 Cb 1.21 0.26 -0.01 0.00 0.27 0.00 0.00 38.32 40.05 2kuf h ASN 538 CO 0.52 -0.20 0.07 -2.16 -0.37 0.00 0.00 177.43 175.29 2kuf s PRO 539 N -6.15 3.82 0.80 6.67 0.05 -1.26 -5.08 135.00 133.85 2kuf s PRO 539 Ca -0.14 0.46 -0.11 0.00 0.05 0.00 0.00 61.00 61.26 2kuf s PRO 539 Cb 0.12 -2.44 0.07 0.00 0.05 0.00 0.00 34.50 32.29 2kuf s PRO 539 CO 0.68 0.06 1.09 -1.25 0.05 0.00 0.00 177.00 177.64 2kuf s PRO 540 N -3.54 2.06 0.18 0.56 0.04 -1.26 -4.96 135.00 128.07 2kuf s PRO 540 Ca 0.51 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 2kuf s PRO 540 Cb -0.10 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2kuf s PRO 540 CO 0.27 -1.78 1.45 0.00 0.04 0.00 0.00 177.00 176.99 2kuf s ALA 541 N -2.89 3.65 0.00 8.56 0.00 -1.26 -2.39 121.76 127.43 2kuf s ALA 541 Ca 0.62 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2kuf s ALA 541 Cb -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2kuf s ALA 541 CO 0.56 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2kuf n GLY 542 N 3.11 0.56 3.69 0.00 0.00 0.43 -5.01 105.19 107.96 2kuf n GLY 542 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.65 -0.14 2.61 2.01 -1.01 -4.73 115.64 117.04 2kuf s THR 543 Ca 0.00 1.92 -0.23 0.00 0.31 0.00 0.00 61.69 63.70 2kuf s THR 543 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2kuf s THR 543 CO 0.00 0.04 0.70 0.28 -0.69 0.00 0.00 174.62 174.95 2kuf s THR 544 N 1.82 5.00 0.23 -0.82 -1.32 -1.26 -1.06 115.64 118.23 2kuf s THR 544 Ca 0.51 1.39 0.10 0.00 -1.21 0.00 0.00 61.69 62.48 2kuf s THR 544 Cb -0.21 -4.03 -0.05 0.00 -1.51 0.00 0.00 72.50 66.71 2kuf s THR 544 CO 0.21 0.15 -0.17 0.68 -2.21 0.00 0.00 174.62 173.28 2kuf s VAL 545 N 1.48 2.06 0.29 5.08 -7.23 0.11 -4.86 120.40 117.32 2kuf s VAL 545 Ca 0.34 -2.26 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 2kuf s VAL 545 Cb -0.17 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.54 2kuf s VAL 545 CO 0.14 -0.49 1.36 -2.84 -0.31 0.00 0.00 175.10 172.97 2kuf s PRO 546 N -3.50 4.32 0.57 4.82 0.02 -1.26 -0.34 135.00 139.62 2kuf s PRO 546 Ca 0.25 2.24 0.38 0.00 0.02 0.00 0.00 61.00 63.89 2kuf s PRO 546 Cb -0.03 -3.09 1.91 0.00 0.02 0.00 0.00 34.50 33.31 2kuf s PRO 546 CO 0.10 -0.29 2.15 -0.24 -0.33 0.00 0.00 177.00 178.38 2kuf h VAL 547 N 3.29 0.00 -0.00 3.83 3.04 -0.83 -1.89 116.25 123.69 2kuf h VAL 547 Ca -0.47 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2kuf h VAL 547 Cb 1.22 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2kuf h VAL 547 CO 0.71 0.00 -0.80 -0.67 -1.01 0.00 0.00 177.57 175.80 2kuf n ASP 548 N -2.93 0.85 -3.48 3.17 2.03 -1.26 -4.09 116.55 110.84 2kuf n ASP 548 Ca -0.02 -0.75 -0.15 0.00 0.52 0.00 0.00 54.79 54.39 2kuf n ASP 548 Cb 0.14 0.71 0.09 0.00 -0.72 0.00 0.00 41.12 41.34 2kuf n ASP 548 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kuf n SER 549 N -1.45 0.66 -4.74 1.67 7.64 -0.71 -4.67 113.62 112.01 2kuf n SER 549 Ca 0.05 -1.61 -0.36 0.00 1.01 0.00 0.00 58.87 57.96 2kuf n SER 549 Cb 0.34 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 2kuf n SER 549 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kuf s VAL 550 N -2.04 4.80 -0.10 0.44 0.11 -1.26 -2.08 120.40 120.27 2kuf s VAL 550 Ca 0.42 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.40 2kuf s VAL 550 Cb -0.02 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.73 2kuf s VAL 550 CO 0.28 0.58 -0.01 -0.63 -3.33 0.00 0.00 175.10 172.00 2kuf s ILE 551 N -0.69 4.19 -0.21 7.04 1.01 0.80 -4.95 121.20 128.40 2kuf s ILE 551 Ca 0.12 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 2kuf s ILE 551 Cb -0.12 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2kuf s ILE 551 CO 0.02 0.59 0.10 -0.70 0.00 0.00 0.00 174.94 174.94 2kuf s GLU 552 N -0.67 3.96 -0.12 2.79 2.12 -1.26 -1.01 118.70 124.51 2kuf s GLU 552 Ca 0.11 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.07 2kuf s GLU 552 Cb -0.12 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 2kuf s GLU 552 CO 0.02 0.14 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.35 2kuf s LEU 553 N 0.77 3.40 -0.03 2.70 1.02 0.91 -0.00 118.68 127.46 2kuf s LEU 553 Ca 0.05 -0.00 -0.20 0.00 0.02 0.00 0.00 54.13 54.00 2kuf s LEU 553 Cb -0.13 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.23 2kuf s LEU 553 CO 0.02 0.27 0.57 -1.10 0.02 0.00 0.00 176.35 176.13 2kuf s GLN 554 N -0.22 4.31 -0.11 1.70 -1.52 0.10 -0.65 119.66 123.27 2kuf s GLN 554 Ca 0.05 0.68 0.02 0.00 -1.95 0.00 0.00 55.36 54.15 2kuf s GLN 554 Cb -0.13 -3.36 -0.01 0.00 -0.22 0.00 0.00 33.01 29.29 2kuf s GLN 554 CO 0.02 0.33 -0.17 0.08 -0.25 0.00 0.00 175.29 175.30 2kuf s VAL 555 N -0.03 2.72 -0.20 1.09 1.01 0.88 -0.29 120.40 125.58 2kuf s VAL 555 Ca 0.30 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 2kuf s VAL 555 Cb -0.18 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2kuf s VAL 555 CO 0.16 0.54 0.87 -0.44 0.00 0.00 0.00 175.10 176.23 2kuf s SER 556 N 0.22 6.95 -0.04 3.32 0.01 0.29 -0.44 113.70 124.01 2kuf s SER 556 Ca -0.11 1.17 -0.12 0.00 1.31 0.00 0.00 55.95 58.21 2kuf s SER 556 Cb -0.16 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2kuf s SER 556 CO 0.06 -0.48 0.31 -1.59 0.41 0.00 0.00 173.24 171.96 2kuf s LYS 557 N 2.51 3.74 0.62 12.44 -2.85 0.39 -2.61 119.74 133.98 2kuf s LYS 557 Ca 0.38 0.21 0.33 0.00 -1.00 0.00 0.00 55.97 55.90 2kuf s LYS 557 Cb -0.16 -3.20 1.89 0.00 -2.06 0.00 0.00 37.83 34.30 2kuf s LYS 557 CO 0.10 0.72 2.19 0.78 0.10 0.00 0.00 175.35 179.24 2kuf h GLY 558 N 4.77 0.00 0.00 0.59 0.00 -1.71 -1.71 103.07 105.02 2kuf h GLY 558 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2kuf h GLY 558 CO 0.60 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.13 2kuf n ASN 559 N -3.52 0.00 -4.63 0.19 2.85 -1.25 -4.56 115.26 104.35 2kuf n ASN 559 Ca -0.01 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.20 2kuf n ASN 559 Cb 0.21 -0.06 -0.08 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 2.27 0.05 1.20 -0.21 -1.26 -0.20 119.66 121.50 2kuf s GLN 560 Ca 0.00 -1.21 0.03 0.00 0.02 0.00 0.00 55.36 54.20 2kuf s GLN 560 Cb 0.00 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 2kuf s GLN 560 CO 0.00 0.44 -0.08 -0.59 -2.12 0.00 0.00 175.29 172.93 2kuf s PHE 561 N -1.80 0.75 0.05 0.91 -0.71 -0.10 -4.87 117.98 112.21 2kuf s PHE 561 Ca 0.27 -0.52 -0.31 0.00 -1.04 0.00 0.00 56.93 55.34 2kuf s PHE 561 Cb -0.09 -0.44 -0.07 0.00 -1.21 0.00 0.00 43.02 41.21 2kuf s PHE 561 CO 0.18 -0.07 1.55 0.54 -1.34 0.00 0.00 175.22 176.08 2kuf s VAL 562 N -1.50 3.27 -0.07 -2.49 0.11 -1.26 -0.36 120.40 118.10 2kuf s VAL 562 Ca -0.08 0.71 -0.22 0.00 -2.93 0.00 0.00 61.98 59.47 2kuf s VAL 562 Cb -0.09 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2kuf s VAL 562 CO 0.00 0.00 0.62 -0.32 -3.33 0.00 0.00 175.10 172.08 2kuf s MET 563 N 2.48 4.39 1.03 1.54 1.75 -0.17 -4.90 119.30 125.42 2kuf s MET 563 Ca 0.70 0.74 -0.12 0.00 -1.25 0.00 0.00 55.69 55.76 2kuf s MET 563 Cb -0.37 -3.42 0.20 0.00 2.84 0.00 0.00 34.83 34.08 2kuf s MET 563 CO 0.30 0.15 1.08 -1.25 -0.65 0.00 0.00 175.02 174.65 2kuf s PRO 564 N 0.55 0.20 -0.04 4.11 0.04 -1.26 -0.48 135.00 138.12 2kuf s PRO 564 Ca 0.33 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 2kuf s PRO 564 Cb -0.17 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2kuf s PRO 564 CO 0.16 -2.91 1.02 0.16 0.04 0.00 0.00 177.00 175.48 2kuf s ASP 565 N -3.28 7.28 -0.03 6.66 -4.77 -1.26 -4.62 116.67 116.65 2kuf s ASP 565 Ca 0.66 1.65 0.04 0.00 -3.30 0.00 0.00 52.55 51.60 2kuf s ASP 565 Cb -0.20 -2.56 0.06 0.00 -1.09 0.00 0.00 42.92 39.13 2kuf s ASP 565 CO 0.59 -0.37 1.02 0.00 0.70 0.00 0.00 175.17 177.10 2kuf n LEU 566 N 4.44 0.53 -4.77 2.11 -0.00 -1.26 -5.08 117.00 112.96 2kuf n LEU 566 Ca 0.08 -1.43 -0.38 0.00 -0.00 0.00 0.00 56.01 54.27 2kuf n LEU 566 Cb 0.49 -0.09 -0.06 0.00 -0.00 0.00 0.00 43.42 43.76 2kuf n LEU 566 CO 0.53 0.34 0.67 -0.44 -0.00 0.00 0.00 177.39 178.49 2kuf s SER 567 N -1.38 7.36 -0.35 1.45 0.01 -1.26 -3.94 113.70 115.59 2kuf s SER 567 Ca 0.07 1.92 -0.01 0.00 1.31 0.00 0.00 55.95 59.24 2kuf s SER 567 Cb 0.06 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2kuf s SER 567 CO 0.01 -0.05 0.29 0.61 0.41 0.00 0.00 173.24 174.51 2kuf n GLY 568 N 0.82 0.35 3.49 3.44 0.00 -1.26 -5.06 105.19 106.98 2kuf n GLY 568 Ca 0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.77 1.80 0.35 1.61 0.23 -1.25 -4.89 119.30 112.38 2kuf s MET 569 Ca 0.06 -2.06 0.08 0.00 -1.03 0.00 0.00 55.69 52.75 2kuf s MET 569 Cb -0.03 -0.73 -0.04 0.00 -1.53 0.00 0.00 34.83 32.50 2kuf s MET 569 CO 0.20 -0.35 0.16 -0.06 -2.03 0.00 0.00 175.02 172.94 2kuf s PHE 570 N -3.26 2.71 0.45 3.16 0.08 -1.26 -0.35 117.98 119.50 2kuf s PHE 570 Ca 0.29 -0.40 0.12 0.00 0.12 0.00 0.00 56.93 57.06 2kuf s PHE 570 Cb 0.05 -1.69 1.00 0.00 -0.57 0.00 0.00 43.02 41.81 2kuf s PHE 570 CO 0.14 0.30 2.04 2.35 -0.10 0.00 0.00 175.22 179.96 2kuf h TRP 571 N 1.51 0.19 0.00 0.36 2.91 -1.97 -0.90 115.95 118.03 2kuf h TRP 571 Ca -0.44 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.55 2kuf h TRP 571 Cb 1.25 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.84 2kuf h TRP 571 CO 0.62 0.20 -0.15 -0.24 -1.03 0.00 0.00 178.44 177.84 2kuf h VAL 572 N 0.19 0.67 0.00 2.65 3.04 -1.98 -1.71 116.25 119.10 2kuf h VAL 572 Ca 0.05 -0.63 -0.20 0.00 -1.01 0.00 0.00 66.70 64.90 2kuf h VAL 572 Cb 0.14 1.40 -0.04 0.00 -2.01 0.00 0.00 31.29 30.78 2kuf h VAL 572 CO 0.00 0.15 -1.74 -0.67 -1.01 0.00 0.00 177.57 174.30 2kuf n ASP 573 N -3.72 0.54 -0.15 3.17 2.03 -0.45 -4.24 116.55 113.73 2kuf n ASP 573 Ca -0.02 0.24 -0.08 0.00 0.52 0.00 0.00 54.79 55.46 2kuf n ASP 573 Cb 0.26 0.59 0.01 0.00 -0.72 0.00 0.00 41.12 41.27 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 1.38 0.57 0.12 -1.67 0.00 -0.34 -1.71 119.26 117.60 2kuf h ALA 574 Ca -0.24 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kuf h ALA 574 Cb 1.68 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2kuf h ALA 574 CO 0.04 0.03 -0.17 0.93 0.00 0.00 0.00 179.25 180.08 2kuf h GLU 575 N 0.61 -0.33 -0.48 0.00 5.08 -1.64 0.21 114.58 118.02 2kuf h GLU 575 Ca 0.16 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2kuf h GLU 575 Cb -0.06 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2kuf h GLU 575 CO -0.03 -0.22 0.25 -1.35 -1.00 0.00 0.00 179.01 176.65 2kuf h PRO 576 N -0.35 0.67 -0.52 2.33 0.11 -1.75 -2.83 132.00 129.67 2kuf h PRO 576 Ca 0.02 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2kuf h PRO 576 Cb 0.36 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 2kuf h PRO 576 CO -0.08 0.51 0.33 0.00 -0.21 0.00 0.00 178.00 178.54 2kuf h ARG 577 N 0.67 0.69 -0.19 1.05 2.47 -0.58 -0.17 114.38 118.33 2kuf h ARG 577 Ca 0.17 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 2kuf h ARG 577 Cb 0.05 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 2kuf h ARG 577 CO -0.03 0.48 0.01 1.37 0.56 0.00 0.00 179.97 182.36 2kuf h LEU 578 N 0.70 0.31 -0.77 3.04 8.10 -0.75 0.53 115.31 126.47 2kuf h LEU 578 Ca 0.19 -0.29 -0.10 0.00 0.11 0.00 0.00 57.88 57.79 2kuf h LEU 578 Cb -0.05 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.07 2kuf h LEU 578 CO -0.04 0.53 -0.11 0.08 -4.11 0.00 0.00 178.44 174.78 2kuf h ARG 579 N 0.09 0.82 -0.19 0.17 0.11 -1.46 0.53 114.38 114.44 2kuf h ARG 579 Ca 0.05 -0.28 -0.15 0.00 0.10 0.00 0.00 59.98 59.71 2kuf h ARG 579 Cb 0.36 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2kuf h ARG 579 CO 0.01 0.89 -0.49 0.00 0.10 0.00 0.00 179.97 180.48 2kuf h ALA 580 N 1.13 0.79 -0.00 0.08 0.00 -0.72 -2.60 119.26 117.95 2kuf h ALA 580 Ca 0.12 -0.48 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 0.67 -0.18 1.47 0.00 0.00 0.00 179.25 181.25 2kuf n LEU 581 N -3.98 0.23 -0.75 0.00 -0.00 0.15 -4.93 117.00 107.72 2kuf n LEU 581 Ca -0.02 0.26 -0.01 0.00 -0.00 0.00 0.00 56.01 56.23 2kuf n LEU 581 Cb 0.56 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2kuf n LEU 581 CO 0.46 0.05 0.01 0.61 -0.00 0.00 0.00 177.39 178.52 2kuf n GLY 582 N 1.46 0.79 3.70 1.47 0.00 -0.89 -5.01 105.19 106.71 2kuf n GLY 582 Ca 0.08 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.02 3.54 -0.12 1.61 -0.00 0.13 -4.95 118.94 116.12 2kuf s TRP 583 Ca 0.02 1.54 -0.25 0.00 -0.00 0.00 0.00 56.10 57.42 2kuf s TRP 583 Cb -0.01 -3.23 -0.26 0.00 -0.00 0.00 0.00 33.47 29.97 2kuf s TRP 583 CO 0.04 -0.47 0.69 1.79 -0.00 0.00 0.00 176.95 179.00 2kuf h THR 584 N 4.80 1.51 -1.06 5.86 1.35 -1.86 -3.45 112.91 120.06 2kuf h THR 584 Ca -0.39 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 2kuf h THR 584 Cb 1.20 3.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.72 2kuf h THR 584 CO 0.79 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 177.28 2kuf n GLY 585 N 1.61 -2.52 3.42 5.82 0.00 -0.73 -5.07 105.19 107.73 2kuf n GLY 585 Ca -0.16 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 2kuf n GLY 585 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kuf s MET 586 N -1.92 1.61 -0.29 1.61 1.75 -1.26 -5.03 119.30 115.77 2kuf s MET 586 Ca 0.00 -1.25 -0.29 0.00 -1.25 0.00 0.00 55.69 52.91 2kuf s MET 586 Cb 0.00 -2.00 0.01 0.00 2.84 0.00 0.00 34.83 35.68 2kuf s MET 586 CO 0.00 0.47 1.04 -1.17 -0.65 0.00 0.00 175.02 174.72 2kuf s LEU 587 N -1.97 3.99 -0.27 4.11 2.96 -1.26 -4.53 118.68 121.71 2kuf s LEU 587 Ca 0.15 1.13 -0.11 0.00 -0.22 0.00 0.00 54.13 55.08 2kuf s LEU 587 Cb -0.10 -3.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 2kuf s LEU 587 CO 0.07 -0.80 0.18 -0.62 -1.32 0.00 0.00 176.35 173.86 2kuf s ASP 588 N 1.51 5.96 -0.12 3.68 2.15 -1.11 -5.06 116.67 123.67 2kuf s ASP 588 Ca 0.44 -0.01 -0.03 0.00 0.43 0.00 0.00 52.55 53.38 2kuf s ASP 588 Cb -0.13 -2.10 -0.03 0.00 -0.30 0.00 0.00 42.92 40.36 2kuf s ASP 588 CO 0.12 -0.04 -0.02 -1.59 -0.17 0.00 0.00 175.17 173.47 2kuf s LYS 589 N 1.67 3.37 0.00 4.34 0.00 -1.26 -1.16 119.74 126.70 2kuf s LYS 589 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 55.97 55.56 2kuf s LYS 589 Cb -0.16 -2.86 0.00 0.00 0.00 0.00 0.00 37.83 34.82 2kuf s LYS 589 CO 0.10 0.44 0.00 0.41 0.00 0.00 0.00 175.35 176.30 2kuf n GLY 590 N 2.94 -0.51 3.04 0.59 0.00 0.56 -4.91 105.19 106.89 2kuf n GLY 590 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.04 0.35 -0.20 4.61 0.00 -1.26 -5.06 121.76 117.16 2kuf s ALA 591 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 2kuf s ALA 591 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2kuf s ALA 591 CO 0.00 -0.23 0.46 0.16 0.00 0.00 0.00 175.76 176.15 2kuf s ASP 592 N -2.08 6.50 0.04 0.00 -4.77 -1.26 -3.04 116.67 112.06 2kuf s ASP 592 Ca -0.06 0.59 0.01 0.00 -3.30 0.00 0.00 52.55 49.80 2kuf s ASP 592 Cb -0.03 -2.26 -0.04 0.00 -1.09 0.00 0.00 42.92 39.50 2kuf s ASP 592 CO -0.04 -0.13 0.08 -0.69 0.70 0.00 0.00 175.17 175.09 2kuf s VAL 593 N 1.46 4.62 -0.19 2.11 1.01 -0.09 -4.94 120.40 124.39 2kuf s VAL 593 Ca 0.21 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2kuf s VAL 593 Cb -0.15 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 2kuf s VAL 593 CO 0.09 0.23 1.11 1.51 0.00 0.00 0.00 175.10 178.04 2kuf s ASP 594 N -2.08 7.06 0.03 3.32 -4.77 -1.26 0.15 116.67 119.13 2kuf s ASP 594 Ca 0.26 1.51 0.00 0.00 -3.30 0.00 0.00 52.55 51.02 2kuf s ASP 594 Cb -0.12 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2kuf s ASP 594 CO 0.18 -0.67 0.00 0.00 0.70 0.00 0.00 175.17 175.38 2kuf n ALA 595 N 6.23 3.00 0.00 2.11 0.00 -0.75 -4.80 120.51 126.31 2kuf n ALA 595 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kuf n ALA 595 Cb 0.46 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 2.78 1.14 0.29 0.00 0.00 0.14 -4.53 105.19 105.02 2kuf n GLY 596 Ca 0.00 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.52 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 0.46 2.00 -0.02 0.00 -1.92 -1.71 103.07 101.88 2kuf h GLY 597 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 2kuf h GLY 597 CO 0.00 0.18 -0.67 0.23 0.00 0.00 0.00 176.54 176.28 2kuf h SER 598 N 0.44 0.00 0.16 0.19 0.87 -1.98 -2.40 113.55 110.83 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 -0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kuf h SER 598 CO -0.02 0.67 -0.18 0.00 -0.53 0.00 0.00 176.83 176.77 2kuf n GLN 599 N -3.43 1.11 -1.70 2.24 1.13 -0.98 -5.00 117.38 110.74 2kuf n GLN 599 Ca 0.00 -0.65 0.00 0.00 -1.94 0.00 0.00 57.00 54.41 2kuf n GLN 599 Cb 0.74 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.60 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 -0.38 -2.70 -1.48 1.08 8.25 -0.68 -4.80 115.22 114.51 2kuf n HIS 600 Ca 0.14 1.61 -0.40 0.00 -0.26 0.00 0.00 57.72 58.81 2kuf n HIS 600 Cb 0.35 -3.02 -0.02 0.00 1.12 0.00 0.00 29.99 28.43 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 1.03 6.15 -4.92 0.41 6.94 -1.21 -4.83 115.26 118.82 2kuf n ASN 601 Ca 0.00 -2.69 -0.22 0.00 -0.02 0.00 0.00 54.58 51.65 2kuf n ASN 601 Cb 0.00 -1.58 0.05 0.00 -2.36 0.00 0.00 39.78 35.90 2kuf n ASN 601 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kuf s ARG 602 N 2.79 2.33 0.15 -3.83 1.70 -1.26 -4.40 118.95 116.43 2kuf s ARG 602 Ca 0.58 -0.74 -0.31 0.00 -0.47 0.00 0.00 55.73 54.79 2kuf s ARG 602 Cb 0.16 -2.40 -0.09 0.00 -0.57 0.00 0.00 34.95 32.04 2kuf s ARG 602 CO -0.07 -0.94 1.52 0.08 -1.08 0.00 0.00 175.30 174.81 2kuf s VAL 603 N -2.92 2.81 -0.22 4.99 1.01 0.53 -0.50 120.40 126.10 2kuf s VAL 603 Ca 0.59 0.58 0.07 0.00 0.00 0.00 0.00 61.98 63.23 2kuf s VAL 603 Cb -0.10 -3.37 -0.19 0.00 0.00 0.00 0.00 36.38 32.72 2kuf s VAL 603 CO 0.41 0.05 -0.11 1.33 0.00 0.00 0.00 175.10 176.77 2kuf n VAL 604 N 3.93 1.36 -3.79 2.92 0.24 -0.47 -4.09 118.33 118.43 2kuf n VAL 604 Ca 0.13 -0.63 -0.13 0.00 -2.04 0.00 0.00 64.34 61.67 2kuf n VAL 604 Cb 0.40 -1.04 -0.13 0.00 -1.47 0.00 0.00 33.84 31.59 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 -2.48 -0.18 -0.03 6.34 5.04 -1.07 -5.02 117.35 119.95 2kuf s TYR 605 Ca -0.24 0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.91 2kuf s TYR 605 Cb 0.07 0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.39 2kuf s TYR 605 CO 0.64 -0.12 -0.17 1.14 -1.34 0.00 0.00 175.55 175.70 2kuf s GLN 606 N 0.53 1.55 0.04 4.97 -2.07 -1.26 -0.70 119.66 122.72 2kuf s GLN 606 Ca -0.04 -0.60 -0.32 0.00 -1.82 0.00 0.00 55.36 52.58 2kuf s GLN 606 Cb -0.05 -1.42 -0.18 0.00 -1.09 0.00 0.00 33.01 30.27 2kuf s GLN 606 CO -0.03 0.31 1.39 -0.97 -1.32 0.00 0.00 175.29 174.67 2kuf h ASN 607 N 5.97 -0.92 -3.21 12.60 -0.73 -1.43 -3.40 115.58 124.46 2kuf h ASN 607 Ca -0.35 0.02 -0.59 0.00 1.87 0.00 0.00 56.30 57.26 2kuf h ASN 607 Cb 1.16 0.24 -0.07 0.00 0.27 0.00 0.00 38.32 39.92 2kuf h ASN 607 CO 0.48 -0.59 0.59 -2.84 -0.37 0.00 0.00 177.43 174.70 2kuf s PRO 608 N -5.43 4.24 0.50 6.67 0.02 -1.26 -5.03 135.00 134.71 2kuf s PRO 608 Ca -0.17 1.13 -0.21 0.00 0.02 0.00 0.00 61.00 61.76 2kuf s PRO 608 Cb 0.02 -3.63 -0.07 0.00 0.02 0.00 0.00 34.50 30.84 2kuf s PRO 608 CO 0.53 -0.53 1.14 -2.14 -0.33 0.00 0.00 177.00 175.68 2kuf s PRO 609 N 2.86 3.55 0.11 5.54 0.02 -1.26 -4.98 135.00 140.84 2kuf s PRO 609 Ca 0.39 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.79 2kuf s PRO 609 Cb -0.15 -2.19 -0.08 0.00 0.02 0.00 0.00 34.50 32.09 2kuf s PRO 609 CO 0.08 -0.70 1.44 0.00 -0.33 0.00 0.00 177.00 177.48 2kuf s ALA 610 N -1.67 3.63 0.00 -1.55 0.00 -1.26 -1.69 121.76 119.22 2kuf s ALA 610 Ca 0.68 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2kuf s ALA 610 Cb -0.26 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2kuf s ALA 610 CO 0.30 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2kuf n GLY 611 N 3.58 0.49 3.94 0.00 0.00 0.37 -4.90 105.19 108.67 2kuf n GLY 611 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.03 4.62 0.09 2.61 2.01 -0.68 -4.76 115.64 117.50 2kuf s THR 612 Ca 0.00 -1.10 -0.27 0.00 0.31 0.00 0.00 61.69 60.63 2kuf s THR 612 Cb 0.00 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 2kuf s THR 612 CO 0.00 -0.27 0.84 -0.83 -0.69 0.00 0.00 174.62 173.67 2kuf s GLY 613 N -4.01 2.89 -0.00 4.40 0.00 -1.26 -0.99 107.32 108.35 2kuf s GLY 613 Ca 0.37 0.41 0.05 0.00 0.00 0.00 0.00 44.72 45.55 2kuf s GLY 613 CO 0.29 1.21 -0.14 -1.34 0.00 0.00 0.00 173.10 173.12 2kuf s VAL 614 N -0.17 3.11 1.18 1.40 -7.23 0.51 -4.82 120.40 114.39 2kuf s VAL 614 Ca 0.41 -0.91 -0.16 0.00 -1.81 0.00 0.00 61.98 59.51 2kuf s VAL 614 Cb -0.22 -2.29 0.23 0.00 0.56 0.00 0.00 36.38 34.66 2kuf s VAL 614 CO 0.26 0.45 0.56 -0.46 -0.31 0.00 0.00 175.10 175.59 2kuf n ASN 615 N 1.83 -2.29 0.22 4.85 6.94 -1.26 -0.92 115.26 124.62 2kuf n ASN 615 Ca -0.16 -0.23 0.17 0.00 -0.02 0.00 0.00 54.58 54.33 2kuf n ASN 615 Cb 0.52 -1.09 0.85 0.00 -2.36 0.00 0.00 39.78 37.70 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 -2.55 0.00 -0.00 -3.83 0.11 -0.96 0.52 114.38 107.66 2kuf h ARG 616 Ca -0.57 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.51 2kuf h ARG 616 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2kuf h ARG 616 CO 0.43 0.00 -0.34 -3.47 0.10 0.00 0.00 179.97 176.68 2kuf n ASP 617 N -3.75 0.45 -0.53 0.08 2.03 -1.26 -4.78 116.55 108.79 2kuf n ASP 617 Ca 0.01 -0.19 -0.07 0.00 0.52 0.00 0.00 54.79 55.06 2kuf n ASP 617 Cb 0.30 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 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 1.47 0.81 3.66 0.27 0.00 0.18 -1.76 105.19 109.81 2kuf n GLY 618 Ca 0.07 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.92 3.88 -0.07 -0.61 -1.16 -1.26 -4.89 121.20 115.18 2kuf s ILE 619 Ca 0.00 1.06 0.05 0.00 -0.51 0.00 0.00 60.65 61.25 2kuf s ILE 619 Cb 0.00 -3.70 -0.00 0.00 0.61 0.00 0.00 42.46 39.37 2kuf s ILE 619 CO 0.00 -0.11 -0.21 0.27 -2.81 0.00 0.00 174.94 172.08 2kuf s ILE 620 N 3.87 1.80 -0.14 2.00 -4.36 -1.26 -4.84 121.20 118.27 2kuf s ILE 620 Ca 0.65 -0.90 -0.03 0.00 -0.26 0.00 0.00 60.65 60.11 2kuf s ILE 620 Cb -0.28 -1.55 -0.03 0.00 1.25 0.00 0.00 42.46 41.86 2kuf s ILE 620 CO 0.23 0.51 -0.05 0.28 0.24 0.00 0.00 174.94 176.15 2kuf s THR 621 N 0.11 3.83 0.15 8.37 -1.32 -1.26 -2.75 115.64 122.77 2kuf s THR 621 Ca -0.09 -0.39 -0.00 0.00 -1.21 0.00 0.00 61.69 60.00 2kuf s THR 621 Cb -0.15 -2.66 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 2kuf s THR 621 CO 0.05 0.51 0.06 -1.48 -2.21 0.00 0.00 174.62 171.54 2kuf s LEU 622 N 0.19 1.77 -0.02 9.08 0.05 -0.30 -0.92 118.68 128.51 2kuf s LEU 622 Ca -0.02 -1.23 0.04 0.00 0.05 0.00 0.00 54.13 52.97 2kuf s LEU 622 Cb -0.14 0.22 -0.01 0.00 -2.05 0.00 0.00 46.19 44.22 2kuf s LEU 622 CO 0.03 -0.71 -0.14 0.00 -0.55 0.00 0.00 176.35 174.97 2kuf s ARG 623 N -4.03 1.33 0.17 1.48 1.70 0.12 -0.33 118.95 119.40 2kuf s ARG 623 Ca 0.26 -0.51 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 2kuf s ARG 623 Cb 0.07 -1.23 -0.05 0.00 -0.57 0.00 0.00 34.95 33.17 2kuf s ARG 623 CO 0.04 0.26 -0.03 -0.59 -1.08 0.00 0.00 175.30 173.90 2kuf s PHE 624 N -0.13 1.26 0.41 5.89 -0.71 -1.17 -1.37 117.98 122.16 2kuf s PHE 624 Ca 0.01 -0.93 -0.14 0.00 -1.04 0.00 0.00 56.93 54.84 2kuf s PHE 624 Cb -0.08 -0.70 -0.08 0.00 -1.21 0.00 0.00 43.02 40.95 2kuf s PHE 624 CO 0.00 -0.10 0.82 0.20 -1.34 0.00 0.00 175.22 174.80 2kuf s GLY 625 N -3.18 2.10 0.00 1.99 0.00 0.34 -0.91 107.32 107.66 2kuf s GLY 625 Ca 0.22 -0.02 0.19 0.00 0.00 0.00 0.00 44.72 45.11 2kuf s GLY 625 CO 0.03 0.20 1.11 0.61 0.00 0.00 0.00 173.10 175.05