#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7r h MET 535 N 0.00 0.62 -0.11 4.33 0.00 -2.05 -1.04 114.93 116.68 2x7r h MET 535 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 59.70 59.56 2x7r h MET 535 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 31.60 31.45 2x7r h MET 535 CO 0.00 0.41 -0.41 1.79 0.00 0.00 0.00 176.91 178.70 2x7r h THR 536 N 0.63 1.31 0.17 2.22 1.35 -2.04 -2.94 112.91 113.60 2x7r h THR 536 Ca 0.37 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.70 2x7r h THR 536 Cb 0.39 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2x7r h THR 536 CO -0.27 0.46 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.30 2x7r h LEU 537 N 0.21 -0.19 0.44 3.87 3.38 -1.66 0.20 115.31 121.55 2x7r h LEU 537 Ca 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2x7r h LEU 537 Cb 0.82 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2x7r h LEU 537 CO 0.06 0.08 -0.25 0.71 0.09 0.00 0.00 178.44 179.13 2x7r h THR 538 N -0.46 0.00 -1.20 0.22 1.35 -1.38 0.26 112.91 111.70 2x7r h THR 538 Ca -0.02 0.00 0.43 0.00 -0.55 0.00 0.00 66.41 66.27 2x7r h THR 538 Cb 0.36 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.63 2x7r h THR 538 CO 0.04 0.00 0.73 0.58 -0.25 0.00 0.00 175.52 176.62 2x7r h VAL 539 N -0.64 0.07 0.78 6.82 2.07 -1.55 0.78 116.25 124.58 2x7r h VAL 539 Ca -0.06 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2x7r h VAL 539 Cb 0.50 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2x7r h VAL 539 CO 0.07 0.01 -0.37 1.56 0.02 0.00 0.00 177.57 178.86 2x7r h GLN 540 N 0.06 -1.01 -3.72 1.57 4.20 -0.09 -3.42 115.11 112.71 2x7r h GLN 540 Ca 0.84 0.07 -0.23 0.00 0.06 0.00 0.00 58.65 59.39 2x7r h GLN 540 Cb 2.44 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 30.37 2x7r h GLN 540 CO -0.57 -0.66 1.40 0.00 -0.67 0.00 0.00 178.83 178.34 2x7r n ALA 541 N -2.65 0.78 -3.24 3.87 0.00 0.27 -4.74 120.51 114.80 2x7r n ALA 541 Ca -0.14 -0.63 -0.46 0.00 0.00 0.00 0.00 53.44 52.21 2x7r n ALA 541 Cb 0.42 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 2x7r n ALA 541 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2x7r s ARG 542 N 4.98 3.73 0.18 0.00 6.06 -1.26 -4.78 118.95 127.86 2x7r s ARG 542 Ca 0.84 -2.48 -0.07 0.00 -2.50 0.00 0.00 55.73 51.52 2x7r s ARG 542 Cb -0.54 -4.56 0.07 0.00 0.06 0.00 0.00 34.95 29.97 2x7r s ARG 542 CO 0.36 -1.39 1.52 1.96 -2.50 0.00 0.00 175.30 175.26 2x7r h GLN 543 N 7.74 0.78 -1.03 5.12 1.08 -1.96 -3.21 115.11 123.63 2x7r h GLN 543 Ca 0.14 -0.41 0.30 0.00 -1.45 0.00 0.00 58.65 57.23 2x7r h GLN 543 Cb 1.00 0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 28.31 2x7r h GLN 543 CO 0.88 1.03 0.62 1.25 -0.95 0.00 0.00 178.83 181.66 2x7r h LEU 544 N 0.64 0.53 -0.82 1.46 5.85 -1.96 0.56 115.31 121.56 2x7r h LEU 544 Ca 0.05 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2x7r h LEU 544 Cb 0.95 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2x7r h LEU 544 CO 0.09 -0.03 0.22 -0.07 -0.34 0.00 0.00 178.44 178.31 2x7r h LEU 545 N 0.39 1.03 -0.19 2.25 3.38 -1.97 -1.81 115.31 118.39 2x7r h LEU 545 Ca 0.69 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.43 2x7r h LEU 545 Cb 1.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2x7r h LEU 545 CO -0.51 0.95 -0.07 -1.28 0.09 0.00 0.00 178.44 177.63 2x7r h SER 546 N 1.06 0.39 0.03 -0.43 0.87 -0.06 -0.53 113.55 114.88 2x7r h SER 546 Ca 0.23 -0.39 0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2x7r h SER 546 Cb 0.29 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2x7r h SER 546 CO -0.01 0.70 -0.15 1.23 -0.53 0.00 0.00 176.83 178.07 2x7r h GLY 547 N 0.09 -0.21 0.59 5.77 0.00 -1.21 0.73 103.07 108.82 2x7r h GLY 547 Ca 0.04 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.64 2x7r h GLY 547 CO 0.02 -0.15 0.63 -2.22 0.00 0.00 0.00 176.54 174.83 2x7r h ILE 548 N -0.26 1.00 -0.01 2.60 2.04 -1.32 0.58 117.51 122.14 2x7r h ILE 548 Ca 0.04 -0.37 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 2x7r h ILE 548 Cb 0.31 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2x7r h ILE 548 CO -0.13 0.20 -0.67 0.58 0.00 0.00 0.00 178.15 178.13 2x7r h VAL 549 N 1.07 1.47 -0.23 1.67 2.07 -0.27 -2.02 116.25 120.01 2x7r h VAL 549 Ca 0.46 -2.27 -0.10 0.00 0.82 0.00 0.00 66.70 65.61 2x7r h VAL 549 Cb 0.34 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2x7r h VAL 549 CO -0.22 0.65 -0.25 -0.61 0.02 0.00 0.00 177.57 177.15 2x7r h GLN 550 N 0.03 0.58 -0.54 1.57 5.75 0.14 -3.03 115.11 119.62 2x7r h GLN 550 Ca -0.01 -0.32 0.04 0.00 -0.15 0.00 0.00 58.65 58.21 2x7r h GLN 550 Cb 1.19 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.73 2x7r h GLN 550 CO 0.09 0.91 0.36 0.37 -2.65 0.00 0.00 178.83 177.91 2x7r h GLN 551 N 0.28 0.57 -0.24 1.69 5.75 0.28 -0.65 115.11 122.79 2x7r h GLN 551 Ca 0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 2x7r h GLN 551 Cb 0.82 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 2x7r h GLN 551 CO 0.06 0.38 -0.29 1.96 -2.65 0.00 0.00 178.83 178.29 2x7r h GLN 552 N 0.59 0.47 -0.07 1.69 4.20 -1.34 -2.28 115.11 118.37 2x7r h GLN 552 Ca 0.22 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2x7r h GLN 552 Cb 0.14 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2x7r h GLN 552 CO -0.06 0.72 0.03 -0.97 -0.67 0.00 0.00 178.83 177.88 2x7r h ASN 553 N 0.41 0.10 -0.37 1.46 -0.00 -1.04 -1.68 115.58 114.47 2x7r h ASN 553 Ca 0.05 -0.16 0.07 0.00 -0.00 0.00 0.00 56.30 56.26 2x7r h ASN 553 Cb 0.72 -0.03 -0.06 0.00 -0.00 0.00 0.00 38.32 38.96 2x7r h ASN 553 CO 0.06 0.23 -0.01 0.78 -0.00 0.00 0.00 177.43 178.48 2x7r h ASN 554 N -0.04 -0.18 -0.63 1.15 2.35 -1.20 -1.77 115.58 115.27 2x7r h ASN 554 Ca 0.02 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 2x7r h ASN 554 Cb 0.16 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 2x7r h ASN 554 CO -0.00 -0.05 0.18 -0.07 -1.65 0.00 0.00 177.43 175.84 2x7r h LEU 555 N 0.08 0.93 -0.58 1.61 3.38 -1.32 0.53 115.31 119.94 2x7r h LEU 555 Ca 0.18 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2x7r h LEU 555 Cb 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2x7r h LEU 555 CO -0.31 0.90 0.32 0.25 0.09 0.00 0.00 178.44 179.69 2x7r h LEU 556 N 0.91 0.49 -0.68 1.67 5.85 -1.11 -0.31 115.31 122.12 2x7r h LEU 556 Ca 0.20 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 2x7r h LEU 556 Cb 0.31 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2x7r h LEU 556 CO -0.00 0.33 -0.66 0.03 -0.34 0.00 0.00 178.44 177.80 2x7r h ARG 557 N 0.62 0.00 -0.26 1.25 3.08 -0.81 0.18 114.38 118.44 2x7r h ARG 557 Ca 0.25 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2x7r h ARG 557 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2x7r h ARG 557 CO -0.15 0.66 0.11 0.00 -1.07 0.00 0.00 179.97 179.52 2x7r h ALA 558 N 1.34 0.34 -0.40 0.04 0.00 -0.60 -1.48 119.26 118.49 2x7r h ALA 558 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2x7r h ALA 558 Cb 1.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2x7r h ALA 558 CO 0.09 -0.07 0.21 0.82 0.00 0.00 0.00 179.25 180.29 2x7r h ILE 559 N 0.28 1.16 -0.38 0.00 2.04 -0.69 -0.19 117.51 119.72 2x7r h ILE 559 Ca 0.09 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.60 2x7r h ILE 559 Cb 0.16 0.71 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 2x7r h ILE 559 CO -0.01 0.17 -0.31 -0.33 0.00 0.00 0.00 178.15 177.66 2x7r h GLU 560 N 0.51 -0.24 0.00 2.37 5.08 -0.59 -1.48 114.58 120.22 2x7r h GLU 560 Ca 0.14 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2x7r h GLU 560 Cb 0.08 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2x7r h GLU 560 CO -0.02 -0.16 -0.59 0.00 -1.00 0.00 0.00 179.01 177.23 2x7r h ALA 561 N 0.77 1.02 0.00 3.43 0.00 -1.06 -2.41 119.26 121.01 2x7r h ALA 561 Ca 0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2x7r h ALA 561 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2x7r h ALA 561 CO -0.52 0.74 -0.26 0.37 0.00 0.00 0.00 179.25 179.59 2x7r h GLN 562 N 0.00 0.00 -0.07 0.00 4.15 -0.76 -1.70 115.11 116.73 2x7r h GLN 562 Ca -0.01 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 2x7r h GLN 562 Cb 1.05 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.75 2x7r h GLN 562 CO 0.08 0.26 -0.61 0.37 -1.93 0.00 0.00 178.83 177.00 2x7r h GLN 563 N 0.00 0.53 -0.35 1.69 5.75 -0.79 -0.85 115.11 121.08 2x7r h GLN 563 Ca -0.00 -0.48 0.04 0.00 -0.15 0.00 0.00 58.65 58.06 2x7r h GLN 563 Cb 0.56 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.19 2x7r h GLN 563 CO 0.03 1.11 0.12 0.45 -2.65 0.00 0.00 178.83 177.89 2x7r h HIS 564 N 0.12 0.21 -0.36 3.99 3.86 -1.28 0.15 115.15 121.84 2x7r h HIS 564 Ca -0.06 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.24 2x7r h HIS 564 Cb 1.27 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.63 2x7r h HIS 564 CO 0.12 0.08 -0.08 1.25 0.86 0.00 0.00 177.93 180.17 2x7r h LEU 565 N 0.26 -0.31 -0.44 2.43 5.85 -1.25 0.24 115.31 122.09 2x7r h LEU 565 Ca 0.16 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.03 2x7r h LEU 565 Cb 0.14 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2x7r h LEU 565 CO -0.17 -0.11 0.17 -0.07 -0.34 0.00 0.00 178.44 177.93 2x7r h LEU 566 N 0.01 0.20 -1.28 2.25 3.38 -0.31 0.12 115.31 119.69 2x7r h LEU 566 Ca 0.17 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2x7r h LEU 566 Cb 0.26 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2x7r h LEU 566 CO -0.36 0.15 -0.16 1.56 0.09 0.00 0.00 178.44 179.72 2x7r h GLN 567 N 0.35 0.29 -0.24 1.13 4.20 -0.39 0.21 115.11 120.66 2x7r h GLN 567 Ca 0.20 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2x7r h GLN 567 Cb 0.18 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2x7r h GLN 567 CO -0.19 0.46 0.07 -0.07 -0.67 0.00 0.00 178.83 178.43 2x7r h LEU 568 N 0.27 0.36 -1.06 1.46 3.38 -0.09 -1.09 115.31 118.54 2x7r h LEU 568 Ca 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2x7r h LEU 568 Cb 0.45 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2x7r h LEU 568 CO 0.03 0.48 0.21 0.71 0.09 0.00 0.00 178.44 179.95 2x7r h THR 569 N 0.23 1.22 -0.29 0.22 1.35 0.08 0.09 112.91 115.81 2x7r h THR 569 Ca 0.08 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 2x7r h THR 569 Cb 0.25 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2x7r h THR 569 CO -0.00 0.28 0.13 0.58 -0.25 0.00 0.00 175.52 176.26 2x7r h VAL 570 N 0.86 1.17 -0.28 6.82 2.07 -0.54 -0.09 116.25 126.25 2x7r h VAL 570 Ca 0.20 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2x7r h VAL 570 Cb 0.21 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2x7r h VAL 570 CO -0.01 0.17 0.18 -0.25 0.02 0.00 0.00 177.57 177.68 2x7r h TRP 571 N 0.33 0.35 -0.54 1.57 7.01 -0.70 0.09 115.95 124.06 2x7r h TRP 571 Ca 0.10 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.21 2x7r h TRP 571 Cb 0.15 -0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 27.01 2x7r h TRP 571 CO -0.01 0.22 0.06 0.78 -2.79 0.00 0.00 178.44 176.69 2x7r h GLY 572 N 0.38 0.62 1.01 2.65 0.00 -0.76 -0.57 103.07 106.39 2x7r h GLY 572 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2x7r h GLY 572 CO -0.03 -0.13 0.55 -2.22 0.00 0.00 0.00 176.54 174.72 2x7r h ILE 573 N 0.18 1.22 0.27 2.60 2.04 -0.49 -1.57 117.51 121.76 2x7r h ILE 573 Ca 0.28 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2x7r h ILE 573 Cb 0.42 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2x7r h ILE 573 CO -0.41 0.22 -0.22 0.11 0.00 0.00 0.00 178.15 177.85 2x7r h LYS 574 N 1.15 -0.48 -0.55 2.37 1.57 0.35 0.11 116.57 121.10 2x7r h LYS 574 Ca 0.31 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.23 2x7r h LYS 574 Cb -0.11 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.21 2x7r h LYS 574 CO -0.06 -0.32 -0.02 1.96 -0.57 0.00 0.00 179.45 180.43 2x7r h GLN 575 N -0.50 0.10 -0.37 3.15 1.08 -0.89 0.18 115.11 117.86 2x7r h GLN 575 Ca -0.02 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2x7r h GLN 575 Cb 0.44 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 2x7r h GLN 575 CO -0.02 0.06 0.07 -0.07 -0.95 0.00 0.00 178.83 177.93 2x7r h LEU 576 N 0.10 0.00 -0.78 1.46 3.38 -0.87 -1.77 115.31 116.83 2x7r h LEU 576 Ca 0.28 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.37 2x7r h LEU 576 Cb 0.43 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 2x7r h LEU 576 CO -0.48 0.04 0.46 1.56 0.09 0.00 0.00 178.44 180.11 2x7r h GLN 577 N 0.19 0.83 0.00 1.13 4.20 0.75 0.12 115.11 122.33 2x7r h GLN 577 Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2x7r h GLN 577 Cb 0.21 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2x7r h GLN 577 CO -0.23 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 2x7r n ALA 578 N -2.35 1.49 -0.01 3.87 0.00 0.50 -3.00 120.51 121.00 2x7r n ALA 578 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2x7r n ALA 578 Cb 0.17 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2x7r n ALA 578 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2x7r n ARG 579 N -1.12 0.05 -3.00 0.00 0.63 0.26 -4.83 116.66 108.65 2x7r n ARG 579 Ca 0.02 0.02 -0.35 0.00 -0.92 0.00 0.00 57.85 56.61 2x7r n ARG 579 Cb 0.02 -0.87 -0.02 0.00 0.45 0.00 0.00 32.46 32.03 2x7r n ARG 579 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2x7r n ILE 580 N -2.76 4.38 -0.07 5.15 -5.35 -0.35 -5.12 119.36 115.24 2x7r n ILE 580 Ca -0.04 -5.71 0.00 0.00 -0.27 0.00 0.00 62.75 56.73 2x7r n ILE 580 Cb 0.54 -1.81 0.00 0.00 -1.74 0.00 0.00 39.64 36.62 2x7r n ILE 580 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97