#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9y s PHE 524 N 0.00 3.22 0.10 -0.32 5.36 -1.26 -5.04 117.98 120.05 2k9y s PHE 524 Ca 0.00 0.61 0.01 0.00 -0.96 0.00 0.00 56.93 56.59 2k9y s PHE 524 Cb 0.00 -2.95 -0.00 0.00 -0.34 0.00 0.00 43.02 39.72 2k9y s PHE 524 CO 0.00 -0.45 0.04 1.04 -1.46 0.00 0.00 175.22 174.39 2k9y n GLN 525 N 5.84 0.83 -3.65 10.12 1.13 -1.26 -5.16 117.38 125.23 2k9y n GLN 525 Ca -0.01 -0.84 -0.18 0.00 -1.94 0.00 0.00 57.00 54.03 2k9y n GLN 525 Cb 0.49 0.46 -0.16 0.00 0.11 0.00 0.00 30.24 31.14 2k9y n GLN 525 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2k9y s THR 526 N -1.92 -0.21 0.30 5.09 -4.23 -1.26 -5.15 115.64 108.25 2k9y s THR 526 Ca 0.05 0.31 0.10 0.00 -1.18 0.00 0.00 61.69 60.97 2k9y s THR 526 Cb 0.00 -0.30 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 2k9y s THR 526 CO 0.04 0.11 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.71 2k9y s LEU 527 N 2.25 2.98 0.21 4.79 2.34 -1.26 -5.14 118.68 124.85 2k9y s LEU 527 Ca 0.04 -0.86 0.01 0.00 0.06 0.00 0.00 54.13 53.38 2k9y s LEU 527 Cb -0.12 -1.45 -0.04 0.00 -0.56 0.00 0.00 46.19 44.02 2k9y s LEU 527 CO -0.06 -0.08 0.38 -0.94 -1.06 0.00 0.00 176.35 174.59 2k9y s SER 528 N -3.66 6.35 0.43 1.48 1.04 -1.26 -5.08 113.70 113.01 2k9y s SER 528 Ca 0.32 0.30 -0.24 0.00 0.48 0.00 0.00 55.95 56.81 2k9y s SER 528 Cb -0.04 -1.96 -0.08 0.00 0.10 0.00 0.00 66.02 64.04 2k9y s SER 528 CO 0.19 -0.05 1.18 -2.16 0.98 0.00 0.00 173.24 173.37 2k9y s PRO 529 N -3.51 3.89 -0.27 4.02 0.04 -1.26 -5.04 135.00 132.86 2k9y s PRO 529 Ca 0.37 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 2k9y s PRO 529 Cb -0.11 -2.54 0.15 0.00 0.04 0.00 0.00 34.50 32.04 2k9y s PRO 529 CO 0.30 -0.46 0.39 -1.83 0.04 0.00 0.00 177.00 175.44 2k9y s GLU 530 N -2.50 0.38 -0.03 4.56 -1.05 -1.26 -5.14 118.70 113.66 2k9y s GLU 530 Ca 0.60 0.28 -0.01 0.00 -0.15 0.00 0.00 54.97 55.69 2k9y s GLU 530 Cb -0.30 -0.39 0.02 0.00 -0.44 0.00 0.00 34.13 33.02 2k9y s GLU 530 CO 0.37 -0.88 0.05 0.20 0.95 0.00 0.00 175.26 175.96 2k9y s GLY 531 N 2.54 0.02 -0.07 -3.83 0.00 -1.26 -4.79 107.32 99.92 2k9y s GLY 531 Ca 0.11 0.29 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 2k9y s GLY 531 CO -0.25 0.50 -0.08 1.44 0.00 0.00 0.00 173.10 174.72 2k9y n SER 532 N 3.73 1.94 0.00 1.64 7.64 -1.26 -5.00 113.62 122.30 2k9y n SER 532 Ca -0.21 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2k9y n SER 532 Cb 0.54 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2k9y n SER 532 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k9y n GLY 533 N 2.82 1.99 0.16 0.23 0.00 -1.26 -4.99 105.19 104.14 2k9y n GLY 533 Ca -0.14 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2k9y n GLY 533 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k9y h ASN 534 N 0.00 0.00 1.21 1.61 2.35 -2.03 -3.20 115.58 115.51 2k9y h ASN 534 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k9y h ASN 534 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2k9y h ASN 534 CO 0.00 0.30 0.00 -0.07 -1.65 0.00 0.00 177.43 176.01 2k9y h LEU 535 N 0.00 0.00 -1.07 1.61 -0.00 -2.01 -2.98 115.31 110.86 2k9y h LEU 535 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.79 2k9y h LEU 535 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 2k9y h LEU 535 CO 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 178.44 178.36 2k9y h ALA 536 N 2.01 1.23 -0.15 1.53 0.00 -1.86 -2.42 119.26 119.59 2k9y h ALA 536 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2k9y h ALA 536 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k9y h ALA 536 CO 0.00 0.50 0.28 0.28 0.00 0.00 0.00 179.25 180.31 2k9y h VAL 537 N 0.49 0.24 0.98 0.00 2.07 -1.71 -2.37 116.25 115.95 2k9y h VAL 537 Ca 0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2k9y h VAL 537 Cb 0.49 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2k9y h VAL 537 CO 0.03 0.00 -0.47 0.40 0.02 0.00 0.00 177.57 177.55 2k9y h ILE 538 N 0.00 0.03 -0.76 4.57 2.04 -1.62 -2.39 117.51 119.38 2k9y h ILE 538 Ca 0.07 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2k9y h ILE 538 Cb 0.62 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2k9y h ILE 538 CO -0.00 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.88 2k9y h GLY 539 N -1.32 1.07 0.18 5.37 0.00 -1.60 0.18 103.07 106.94 2k9y h GLY 539 Ca -0.13 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 46.88 2k9y h GLY 539 CO 0.22 0.38 -0.11 -1.33 0.00 0.00 0.00 176.54 175.70 2k9y h GLY 540 N 1.01 0.27 0.17 4.60 0.00 -1.46 0.33 103.07 107.98 2k9y h GLY 540 Ca 0.28 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2k9y h GLY 540 CO -0.07 -0.16 -0.04 -2.08 0.00 0.00 0.00 176.54 174.20 2k9y h VAL 541 N -0.02 0.94 -0.01 4.60 2.07 -1.22 -2.42 116.25 120.21 2k9y h VAL 541 Ca 0.19 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2k9y h VAL 541 Cb 0.31 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2k9y h VAL 541 CO -0.42 0.29 -0.44 0.00 0.02 0.00 0.00 177.57 177.02 2k9y h ALA 542 N -0.37 -0.87 -0.28 1.67 0.00 -0.57 0.23 119.26 119.07 2k9y h ALA 542 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k9y h ALA 542 Cb 0.55 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2k9y h ALA 542 CO 0.02 -1.00 0.00 0.28 0.00 0.00 0.00 179.25 178.55 2k9y h VAL 543 N -0.55 0.80 -0.94 0.00 2.07 -0.51 -1.71 116.25 115.40 2k9y h VAL 543 Ca 0.01 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 67.69 2k9y h VAL 543 Cb 0.59 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 2k9y h VAL 543 CO -0.30 0.02 0.60 1.23 0.02 0.00 0.00 177.57 179.14 2k9y h GLY 544 N 0.09 1.25 1.13 2.17 0.00 -0.97 -0.21 103.07 106.53 2k9y h GLY 544 Ca 0.13 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2k9y h GLY 544 CO -0.22 -0.00 -0.17 -2.08 0.00 0.00 0.00 176.54 174.07 2k9y h VAL 545 N 0.60 1.27 0.09 4.60 2.07 -0.05 -2.70 116.25 122.13 2k9y h VAL 545 Ca 0.50 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2k9y h VAL 545 Cb 0.99 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2k9y h VAL 545 CO -0.25 0.46 -0.12 0.58 0.02 0.00 0.00 177.57 178.26 2k9y h VAL 546 N 0.88 0.72 -0.58 2.57 2.07 -0.61 -0.63 116.25 120.67 2k9y h VAL 546 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.70 2k9y h VAL 546 Cb 0.75 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2k9y h VAL 546 CO 0.06 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.88 2k9y h LEU 547 N -0.25 0.43 -1.14 2.57 3.38 -1.45 -1.62 115.31 117.23 2k9y h LEU 547 Ca 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k9y h LEU 547 Cb 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2k9y h LEU 547 CO -0.05 0.29 0.46 0.25 0.09 0.00 0.00 178.44 179.48 2k9y h LEU 548 N 0.57 0.93 -1.00 1.67 7.12 -1.17 -2.18 115.31 121.25 2k9y h LEU 548 Ca 0.26 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 2k9y h LEU 548 Cb 0.17 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 40.03 2k9y h LEU 548 CO -0.18 0.71 0.51 0.25 -0.13 0.00 0.00 178.44 179.61 2k9y h LEU 549 N 1.07 1.07 0.80 2.25 6.46 -0.16 -1.75 115.31 125.03 2k9y h LEU 549 Ca 0.28 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 2k9y h LEU 549 Cb -0.04 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 39.63 2k9y h LEU 549 CO -0.05 0.83 -0.38 0.58 -0.62 0.00 0.00 178.44 178.80 2k9y h VAL 550 N 1.22 0.00 -0.74 1.05 2.07 -0.90 -2.19 116.25 116.75 2k9y h VAL 550 Ca 0.31 -0.13 0.22 0.00 0.82 0.00 0.00 66.70 67.92 2k9y h VAL 550 Cb -0.03 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 2k9y h VAL 550 CO -0.06 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.01 2k9y h LEU 551 N -1.20 0.00 0.00 2.57 -0.00 -1.44 0.19 115.31 115.43 2k9y h LEU 551 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2k9y h LEU 551 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 2k9y h LEU 551 CO 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.62 2k9y n ALA 552 N -2.67 -0.17 0.08 1.53 0.00 -0.67 -0.81 120.51 117.81 2k9y n ALA 552 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 2k9y n ALA 552 Cb 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 2k9y n ALA 552 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9y h GLY 553 N 0.00 -0.25 1.27 0.00 0.00 -1.25 -0.98 103.07 101.86 2k9y h GLY 553 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.55 2k9y h GLY 553 CO 0.00 -0.15 0.41 -2.08 0.00 0.00 0.00 176.54 174.72 2k9y h VAL 554 N -0.29 1.08 0.00 4.60 2.07 -0.79 0.22 116.25 123.14 2k9y h VAL 554 Ca 0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2k9y h VAL 554 Cb 0.32 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2k9y h VAL 554 CO -0.11 0.13 0.00 1.23 0.02 0.00 0.00 177.57 178.84 2k9y h GLY 555 N 0.73 0.00 0.44 2.17 0.00 -0.36 -3.14 103.07 102.90 2k9y h GLY 555 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.26 2k9y h GLY 555 CO -0.07 0.00 -2.06 0.33 0.00 0.00 0.00 176.54 174.74 2k9y n PHE 556 N -3.02 0.45 0.31 5.60 -0.00 -0.26 -3.72 117.46 116.82 2k9y n PHE 556 Ca 0.02 0.16 0.08 0.00 -0.00 0.00 0.00 57.45 57.71 2k9y n PHE 556 Cb 0.37 -1.07 0.36 0.00 -0.00 0.00 0.00 39.48 39.15 2k9y n PHE 556 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2k9y n PHE 557 N -2.86 0.40 -0.04 -5.13 3.72 0.62 0.31 117.46 114.47 2k9y n PHE 557 Ca -0.25 0.17 0.01 0.00 -0.05 0.00 0.00 57.45 57.34 2k9y n PHE 557 Cb 1.09 -0.78 -0.14 0.00 -0.94 0.00 0.00 39.48 38.71 2k9y n PHE 557 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 2k9y n ILE 558 N -1.88 0.52 -2.59 4.37 3.06 -1.23 -4.60 119.36 117.01 2k9y n ILE 558 Ca 0.01 -0.55 -0.12 0.00 -2.50 0.00 0.00 62.75 59.60 2k9y n ILE 558 Cb 0.13 -0.20 0.03 0.00 0.54 0.00 0.00 39.64 40.14 2k9y n ILE 558 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2k9y n HIS 559 N -2.35 1.83 0.30 9.51 8.25 -0.83 -4.86 115.22 127.07 2k9y n HIS 559 Ca -0.14 -2.56 0.18 0.00 -0.26 0.00 0.00 57.72 54.93 2k9y n HIS 559 Cb 0.73 -0.27 0.92 0.00 1.12 0.00 0.00 29.99 32.48 2k9y n HIS 559 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2k9y h ARG 560 N 2.68 0.00 -0.40 -0.41 -0.00 -0.40 -3.23 114.38 112.63 2k9y h ARG 560 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.75 2k9y h ARG 560 Cb 1.22 0.00 -0.28 0.00 -0.00 0.00 0.00 29.97 30.91 2k9y h ARG 560 CO 0.50 0.04 -0.75 0.54 -0.00 0.00 0.00 179.97 180.30 2k9y n ARG 561 N -3.31 1.31 -1.58 0.08 1.74 -1.26 -5.10 116.66 108.54 2k9y n ARG 561 Ca -0.02 -2.48 -0.47 0.00 -0.77 0.00 0.00 57.85 54.11 2k9y n ARG 561 Cb 0.18 -0.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.96 2k9y n ARG 561 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2k9y n ARG 562 N -0.61 1.25 0.00 5.56 0.00 -1.22 -5.24 116.66 116.40 2k9y n ARG 562 Ca -0.00 0.44 0.06 0.00 -0.00 0.00 0.00 57.85 58.35 2k9y n ARG 562 Cb 0.84 -1.90 0.35 0.00 -0.00 0.00 0.00 32.46 31.74 2k9y n ARG 562 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99