#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 3.61 0.04 -0.32 0.08 -1.26 -5.10 117.98 115.04 2k9y s PHE 524 Ca 0.00 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.63 2k9y s PHE 524 Cb 0.00 -1.97 -0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2k9y s PHE 524 CO 0.00 0.73 0.01 1.04 -0.10 0.00 0.00 175.22 176.90 2k9y n GLN 525 N 1.95 1.19 -3.73 0.44 1.13 -1.26 -5.15 117.38 111.96 2k9y n GLN 525 Ca -0.19 -0.36 -0.28 0.00 -1.94 0.00 0.00 57.00 54.23 2k9y n GLN 525 Cb 0.55 0.16 -0.16 0.00 0.11 0.00 0.00 30.24 30.90 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 -1.54 0.56 -0.78 5.09 -4.23 -1.26 -5.07 115.64 108.42 2k9y s THR 526 Ca 0.01 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2k9y s THR 526 Cb 0.00 -1.15 0.19 0.00 1.34 0.00 0.00 72.50 72.88 2k9y s THR 526 CO 0.01 -0.32 0.61 -1.48 -0.54 0.00 0.00 174.62 172.90 2k9y s LEU 527 N 1.82 5.20 -0.60 4.79 2.34 -1.26 -4.99 118.68 125.99 2k9y s LEU 527 Ca 0.01 -3.62 0.04 0.00 0.06 0.00 0.00 54.13 50.62 2k9y s LEU 527 Cb -0.17 -1.80 0.15 0.00 -0.56 0.00 0.00 46.19 43.81 2k9y s LEU 527 CO -0.13 -0.17 0.36 -0.44 -1.06 0.00 0.00 176.35 174.91 2k9y s SER 528 N -0.50 4.47 0.00 1.48 0.01 -1.26 -5.08 113.70 112.82 2k9y s SER 528 Ca 0.25 -3.37 -0.30 0.00 1.31 0.00 0.00 55.95 53.83 2k9y s SER 528 Cb -0.09 -1.60 -0.06 0.00 0.21 0.00 0.00 66.02 64.49 2k9y s SER 528 CO -0.12 -0.17 1.45 -2.16 0.41 0.00 0.00 173.24 172.65 2k9y s PRO 529 N -0.78 4.26 -0.29 12.44 0.04 -1.26 -5.00 135.00 144.41 2k9y s PRO 529 Ca 0.21 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 2k9y s PRO 529 Cb -0.16 -3.61 0.09 0.00 0.04 0.00 0.00 34.50 30.87 2k9y s PRO 529 CO -0.08 -0.62 0.09 -1.21 0.04 0.00 0.00 177.00 175.22 2k9y s GLU 530 N 2.56 0.69 1.41 4.56 2.02 -1.26 -5.13 118.70 123.55 2k9y s GLU 530 Ca 0.66 -0.93 -0.22 0.00 0.02 0.00 0.00 54.97 54.49 2k9y s GLU 530 Cb -0.32 -1.95 0.36 0.00 0.10 0.00 0.00 34.13 32.31 2k9y s GLU 530 CO 0.27 -0.93 0.85 0.41 0.02 0.00 0.00 175.26 175.88 2k9y n GLY 531 N 4.90 -3.59 3.16 -1.39 0.00 -1.26 -4.47 105.19 102.55 2k9y n GLY 531 Ca -0.04 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 2k9y n GLY 531 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k9y n SER 532 N -5.36 -6.89 -3.13 1.61 7.64 -1.26 -5.02 113.62 101.20 2k9y n SER 532 Ca 0.11 0.13 0.05 0.00 1.01 0.00 0.00 58.87 60.18 2k9y n SER 532 Cb 0.58 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 2k9y n SER 532 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k9y s GLY 533 N -2.29 -1.01 0.38 0.23 0.00 -1.26 -4.96 107.32 98.41 2k9y s GLY 533 Ca 0.25 1.91 0.13 0.00 0.00 0.00 0.00 44.72 47.01 2k9y s GLY 533 CO 0.81 4.06 1.87 3.43 0.00 0.00 0.00 173.10 183.27 2k9y h ASN 534 N 7.28 0.54 0.72 1.64 -0.26 -1.97 0.58 115.58 124.12 2k9y h ASN 534 Ca -0.08 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 2k9y h ASN 534 Cb 1.18 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 2k9y h ASN 534 CO -0.06 0.25 -1.20 0.18 -1.06 0.00 0.00 177.43 175.54 2k9y n LEU 535 N -4.54 0.64 -0.04 1.61 7.99 -1.26 -4.08 117.00 117.32 2k9y n LEU 535 Ca 0.18 0.22 -0.02 0.00 -0.01 0.00 0.00 56.01 56.37 2k9y n LEU 535 Cb 0.56 -0.06 0.23 0.00 -0.11 0.00 0.00 43.42 44.04 2k9y n LEU 535 CO 0.30 -0.12 0.88 0.00 -1.51 0.00 0.00 177.39 176.94 2k9y h ALA 536 N 2.08 1.22 -0.16 -1.18 0.00 -1.25 -2.34 119.26 117.63 2k9y h ALA 536 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2k9y h ALA 536 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2k9y h ALA 536 CO 0.00 0.51 0.27 0.28 0.00 0.00 0.00 179.25 180.31 2k9y h VAL 537 N 0.58 0.25 1.01 0.00 2.07 -1.57 -2.42 116.25 116.18 2k9y h VAL 537 Ca 0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 2k9y h VAL 537 Cb 0.44 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2k9y h VAL 537 CO 0.02 0.00 -0.48 0.40 0.02 0.00 0.00 177.57 177.53 2k9y h ILE 538 N 0.00 0.01 -0.73 4.57 2.04 -1.66 -2.34 117.51 119.39 2k9y h ILE 538 Ca 0.07 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2k9y h ILE 538 Cb 0.61 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2k9y h ILE 538 CO -0.00 0.00 0.48 1.23 0.00 0.00 0.00 178.15 179.86 2k9y h GLY 539 N -1.36 1.03 0.17 5.37 0.00 -1.61 0.21 103.07 106.88 2k9y h GLY 539 Ca -0.14 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 46.90 2k9y h GLY 539 CO 0.23 0.36 -0.12 -1.33 0.00 0.00 0.00 176.54 175.68 2k9y h GLY 540 N 0.98 0.26 0.16 4.60 0.00 -1.46 0.34 103.07 107.94 2k9y h GLY 540 Ca 0.27 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 -0.03 -2.08 0.00 0.00 0.00 176.54 174.20 2k9y h VAL 541 N -0.02 0.95 -0.02 4.60 2.07 -1.21 -2.43 116.25 120.19 2k9y h VAL 541 Ca 0.19 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.24 2k9y h VAL 541 Cb 0.32 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2k9y h VAL 541 CO -0.42 0.29 -0.48 0.00 0.02 0.00 0.00 177.57 176.98 2k9y h ALA 542 N -0.37 -0.89 -0.25 1.67 0.00 -0.52 0.06 119.26 118.96 2k9y h ALA 542 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k9y h ALA 542 Cb 0.55 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2k9y h ALA 542 CO 0.02 -1.04 0.00 0.28 0.00 0.00 0.00 179.25 178.51 2k9y h VAL 543 N -0.59 0.82 -0.92 0.00 2.07 -0.49 -1.73 116.25 115.42 2k9y h VAL 543 Ca 0.01 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 67.70 2k9y h VAL 543 Cb 0.64 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2k9y h VAL 543 CO -0.33 0.01 0.60 1.23 0.02 0.00 0.00 177.57 179.10 2k9y h GLY 544 N 0.08 1.06 1.15 2.17 0.00 -0.97 -0.12 103.07 106.43 2k9y h GLY 544 Ca 0.12 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 2k9y h GLY 544 CO -0.20 -0.00 -0.32 -2.08 0.00 0.00 0.00 176.54 173.94 2k9y h VAL 545 N 0.50 1.27 0.10 4.60 2.07 -0.10 -2.73 116.25 121.97 2k9y h VAL 545 Ca 0.48 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.53 2k9y h VAL 545 Cb 1.07 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2k9y h VAL 545 CO -0.21 0.50 -0.13 0.58 0.02 0.00 0.00 177.57 178.33 2k9y h VAL 546 N 0.79 0.71 -0.40 2.57 2.07 -0.59 -0.30 116.25 121.10 2k9y h VAL 546 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 2k9y h VAL 546 Cb 0.90 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2k9y h VAL 546 CO 0.08 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.76 2k9y h LEU 547 N -0.27 0.20 -1.11 2.57 3.38 -1.47 -1.86 115.31 116.74 2k9y h LEU 547 Ca 0.01 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2k9y h LEU 547 Cb 0.27 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2k9y h LEU 547 CO -0.05 0.15 0.60 0.25 0.09 0.00 0.00 178.44 179.48 2k9y h LEU 548 N 0.33 1.01 -1.05 1.67 7.12 -1.23 -1.92 115.31 121.25 2k9y h LEU 548 Ca 0.18 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.19 2k9y h LEU 548 Cb 0.13 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 39.97 2k9y h LEU 548 CO -0.16 0.71 0.64 0.25 -0.13 0.00 0.00 178.44 179.75 2k9y h LEU 549 N 1.18 1.10 0.82 2.25 6.46 -0.25 -1.92 115.31 124.94 2k9y h LEU 549 Ca 0.35 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 58.05 2k9y h LEU 549 Cb -0.05 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 39.62 2k9y h LEU 549 CO -0.10 0.78 -0.39 0.58 -0.62 0.00 0.00 178.44 178.70 2k9y h VAL 550 N 1.29 0.09 -0.75 1.05 2.07 -0.87 -2.50 116.25 116.63 2k9y h VAL 550 Ca 0.36 -0.14 0.22 0.00 0.82 0.00 0.00 66.70 67.96 2k9y h VAL 550 Cb -0.11 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 2k9y h VAL 550 CO -0.09 0.01 0.55 -0.07 0.02 0.00 0.00 177.57 177.99 2k9y h LEU 551 N -1.22 0.00 0.00 2.57 -0.00 -1.38 0.75 115.31 116.03 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 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 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 -2.66 -0.15 0.04 1.53 0.00 -0.73 -0.44 120.51 118.10 2k9y n ALA 552 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 2k9y n ALA 552 Cb 0.83 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.26 1.63 0.00 0.00 -1.31 -1.52 103.07 101.62 2k9y h GLY 553 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2k9y h GLY 553 CO 0.00 -0.18 0.24 -2.08 0.00 0.00 0.00 176.54 174.52 2k9y h VAL 554 N -0.31 1.09 0.00 4.60 2.07 -1.01 0.26 116.25 122.95 2k9y h VAL 554 Ca 0.07 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2k9y h VAL 554 Cb 0.40 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2k9y h VAL 554 CO -0.21 0.09 -0.24 1.23 0.02 0.00 0.00 177.57 178.46 2k9y h GLY 555 N 0.49 0.00 0.72 2.17 0.00 0.18 -3.00 103.07 103.64 2k9y h GLY 555 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.22 2k9y h GLY 555 CO -0.03 0.00 -1.76 0.33 0.00 0.00 0.00 176.54 175.08 2k9y n PHE 556 N -3.54 0.73 0.39 5.60 -0.00 -0.48 -3.77 117.46 116.39 2k9y n PHE 556 Ca -0.01 0.26 0.10 0.00 -0.00 0.00 0.00 57.45 57.80 2k9y n PHE 556 Cb 0.39 -1.08 0.43 0.00 -0.00 0.00 0.00 39.48 39.23 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 -2.88 0.57 -0.02 -5.13 3.72 -0.04 -0.08 117.46 113.59 2k9y n PHE 557 Ca -0.17 0.23 0.07 0.00 -0.05 0.00 0.00 57.45 57.53 2k9y n PHE 557 Cb 0.97 -0.87 -0.16 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.02 0.31 -0.01 4.37 3.06 -1.18 -4.34 119.36 119.54 2k9y n ILE 558 Ca 0.02 -0.57 0.06 0.00 -2.50 0.00 0.00 62.75 59.76 2k9y n ILE 558 Cb 0.19 -0.12 -0.14 0.00 0.54 0.00 0.00 39.64 40.12 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 -2.38 0.19 -2.05 9.51 8.25 -0.91 -4.68 115.22 123.15 2k9y n HIS 559 Ca -0.09 0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 2k9y n HIS 559 Cb 0.68 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 2k9y n HIS 559 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2k9y s ARG 560 N -3.25 4.28 -1.58 -0.41 1.04 0.88 -2.32 118.95 117.59 2k9y s ARG 560 Ca -0.07 2.24 -0.01 0.00 -1.04 0.00 0.00 55.73 56.85 2k9y s ARG 560 Cb 0.11 -3.15 0.00 0.00 -2.04 0.00 0.00 34.95 29.88 2k9y s ARG 560 CO 0.87 -0.44 0.15 0.54 -0.04 0.00 0.00 175.30 176.38 2k9y n ARG 561 N 2.98 -2.53 0.00 3.89 5.12 -1.26 -4.74 116.66 120.11 2k9y n ARG 561 Ca 0.09 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.90 2k9y n ARG 561 Cb 0.41 -5.59 0.00 0.00 -1.16 0.00 0.00 32.46 26.12 2k9y n ARG 561 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2k9y n ARG 562 N -3.22 0.00 0.00 5.56 0.00 -0.98 -5.18 116.66 112.84 2k9y n ARG 562 Ca -0.19 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 57.81 2k9y n ARG 562 Cb 0.65 0.00 0.92 0.00 -0.00 0.00 0.00 32.46 34.03 2k9y n ARG 562 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99