#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoz h GLU 535 N 0.00 0.56 0.00 3.49 4.57 -2.07 -3.28 114.58 117.85 1xoz h GLU 535 Ca 0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 1xoz h GLU 535 Cb 0.00 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1xoz h GLU 535 CO 0.00 1.38 0.00 0.93 -1.18 0.00 0.00 179.01 180.14 1xoz h GLU 536 N 0.14 0.00 -0.14 1.92 5.08 -2.06 -3.01 114.58 116.52 1xoz h GLU 536 Ca -0.21 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.93 1xoz h GLU 536 Cb 1.96 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.22 1xoz h GLU 536 CO 0.24 0.00 -0.81 1.15 -1.00 0.00 0.00 179.01 178.59 1xoz h THR 537 N 0.00 1.28 -0.52 1.13 2.02 -2.00 -2.67 112.91 112.14 1xoz h THR 537 Ca 0.00 -2.01 -0.04 0.00 0.77 0.00 0.00 66.41 65.13 1xoz h THR 537 Cb 0.64 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1xoz h THR 537 CO 0.00 0.63 0.17 -0.09 0.37 0.00 0.00 175.52 176.61 1xoz h ARG 538 N 0.53 0.81 -0.15 6.66 2.43 -1.58 0.17 114.38 123.24 1xoz h ARG 538 Ca -0.06 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1xoz h ARG 538 Cb 1.44 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1xoz h ARG 538 CO 0.17 0.74 -0.20 0.93 -1.51 0.00 0.00 179.97 180.09 1xoz h GLU 539 N 0.72 -0.24 -0.36 0.20 5.08 -1.53 -0.16 114.58 118.29 1xoz h GLU 539 Ca 0.17 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1xoz h GLU 539 Cb 0.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1xoz h GLU 539 CO -0.01 -0.16 0.18 1.25 -1.00 0.00 0.00 179.01 179.28 1xoz h LEU 540 N -0.25 0.46 -1.11 1.33 6.46 -1.27 -1.15 115.31 119.78 1xoz h LEU 540 Ca 0.11 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1xoz h LEU 540 Cb 0.40 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1xoz h LEU 540 CO -0.29 0.44 -0.10 1.56 -0.62 0.00 0.00 178.44 179.42 1xoz h GLN 541 N 0.45 0.51 -0.20 1.25 1.08 -0.61 -0.26 115.11 117.31 1xoz h GLN 541 Ca 0.12 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1xoz h GLN 541 Cb 0.09 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1xoz h GLN 541 CO -0.02 0.61 -0.00 0.77 -0.95 0.00 0.00 178.83 179.25 1xoz h SER 542 N 0.48 0.35 -0.30 1.46 0.02 -0.77 -2.41 113.55 112.39 1xoz h SER 542 Ca 0.09 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1xoz h SER 542 Cb 0.47 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1xoz h SER 542 CO 0.03 0.58 0.15 0.25 -1.14 0.00 0.00 176.83 176.69 1xoz h LEU 543 N 0.12 0.38 -1.13 5.07 5.85 -0.81 -2.67 115.31 122.12 1xoz h LEU 543 Ca 0.06 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1xoz h LEU 543 Cb 0.40 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1xoz h LEU 543 CO 0.01 0.39 -0.33 0.00 -0.34 0.00 0.00 178.44 178.17 1xoz h ALA 544 N 1.01 1.09 0.00 1.25 0.00 -1.06 -2.80 119.26 118.74 1xoz h ALA 544 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xoz h ALA 544 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xoz h ALA 544 CO -0.01 0.42 -0.32 0.00 0.00 0.00 0.00 179.25 179.34 1xoz n ALA 545 N -2.31 2.68 -1.76 0.00 0.00 -0.91 -4.91 120.51 113.30 1xoz n ALA 545 Ca -0.01 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1xoz n ALA 545 Cb 0.45 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1xoz n ALA 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xoz s ALA 546 N -3.11 3.35 0.15 0.00 0.00 -1.02 -5.02 121.76 116.11 1xoz s ALA 546 Ca 0.09 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 1xoz s ALA 546 Cb 0.14 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 1xoz s ALA 546 CO 0.65 -0.10 1.04 0.14 0.00 0.00 0.00 175.76 177.49 1xoz s VAL 547 N -1.24 4.16 -0.26 0.00 -7.23 -1.26 -4.99 120.40 109.57 1xoz s VAL 547 Ca 0.46 1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 62.22 1xoz s VAL 547 Cb -0.29 -4.17 -0.00 0.00 0.56 0.00 0.00 36.38 32.47 1xoz s VAL 547 CO 0.37 0.30 0.83 -0.69 -0.31 0.00 0.00 175.10 175.60 1xoz s VAL 548 N -0.14 4.81 0.90 1.32 1.01 -1.26 -5.03 120.40 122.02 1xoz s VAL 548 Ca 0.48 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 1xoz s VAL 548 Cb -0.27 -4.13 0.13 0.00 0.00 0.00 0.00 36.38 32.11 1xoz s VAL 548 CO 0.32 -0.13 1.11 -2.84 0.00 0.00 0.00 175.10 173.56 1xoz s PRO 549 N 2.90 1.17 0.76 2.72 0.02 -1.26 -4.98 135.00 136.33 1xoz s PRO 549 Ca 0.35 1.28 -0.12 0.00 0.02 0.00 0.00 61.00 62.53 1xoz s PRO 549 Cb -0.15 -1.76 0.05 0.00 0.02 0.00 0.00 34.50 32.66 1xoz s PRO 549 CO 0.09 -2.44 1.12 -1.54 -0.33 0.00 0.00 177.00 173.91 1xoz s SER 550 N -2.94 4.36 0.33 2.53 1.04 -1.26 -4.85 113.70 112.91 1xoz s SER 550 Ca 0.65 2.02 0.02 0.00 0.48 0.00 0.00 55.95 59.11 1xoz s SER 550 Cb -0.21 -2.55 0.59 0.00 0.10 0.00 0.00 66.02 63.95 1xoz s SER 550 CO 0.58 -2.14 1.96 0.00 0.98 0.00 0.00 173.24 174.62 1xoz h ALA 551 N -0.80 1.55 -0.10 5.32 0.00 -1.93 -1.25 119.26 122.04 1xoz h ALA 551 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xoz h ALA 551 Cb 1.25 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xoz h ALA 551 CO 0.50 0.37 0.06 0.37 0.00 0.00 0.00 179.25 180.55 1xoz h GLN 552 N 0.94 0.13 -0.98 0.00 4.15 -1.97 -0.97 115.11 116.41 1xoz h GLN 552 Ca 0.31 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.77 1xoz h GLN 552 Cb 0.07 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.67 1xoz h GLN 552 CO -0.09 0.11 0.64 1.15 -1.93 0.00 0.00 178.83 178.70 1xoz h THR 553 N 0.12 1.13 -0.00 2.39 2.02 -1.82 -2.66 112.91 114.09 1xoz h THR 553 Ca 0.04 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1xoz h THR 553 Cb 0.01 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.24 1xoz h THR 553 CO -0.01 0.22 -0.09 0.18 0.37 0.00 0.00 175.52 176.20 1xoz n LEU 554 N -4.48 0.10 -1.22 2.58 4.77 -0.51 -4.92 117.00 113.32 1xoz n LEU 554 Ca 0.14 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.35 1xoz n LEU 554 Cb 0.13 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1xoz n LEU 554 CO 0.33 0.02 -0.15 0.29 -1.33 0.00 0.00 177.39 176.56 1xoz n LYS 555 N -1.47 -1.13 0.00 3.23 5.02 -0.40 -4.90 118.16 118.51 1xoz n LYS 555 Ca 0.07 1.06 0.11 0.00 -2.02 0.00 0.00 58.31 57.53 1xoz n LYS 555 Cb 0.33 -5.24 0.52 0.00 -0.02 0.00 0.00 35.03 30.62 1xoz n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1xoz n ILE 556 N -2.53 0.38 0.92 -0.18 -5.35 -1.18 -2.39 119.36 109.04 1xoz n ILE 556 Ca -0.16 0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.55 1xoz n ILE 556 Cb 0.53 -0.71 0.48 0.00 -1.74 0.00 0.00 39.64 38.20 1xoz n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1xoz n THR 557 N -1.41 0.10 -2.76 7.28 -1.04 -1.26 -4.20 114.28 111.00 1xoz n THR 557 Ca 0.08 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1xoz n THR 557 Cb 0.23 -0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 68.38 1xoz n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1xoz s ASP 558 N -3.28 7.12 0.56 8.00 1.01 -1.00 -4.55 116.67 124.52 1xoz s ASP 558 Ca 0.12 1.38 0.23 0.00 0.71 0.00 0.00 52.55 54.99 1xoz s ASP 558 Cb 0.17 -2.52 1.54 0.00 1.01 0.00 0.00 42.92 43.13 1xoz s ASP 558 CO 0.59 -0.47 2.19 -0.26 0.21 0.00 0.00 175.17 177.43 1xoz h PHE 559 N 7.24 0.00 -0.05 4.23 -1.00 -1.90 -2.54 116.94 122.92 1xoz h PHE 559 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1xoz h PHE 559 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1xoz h PHE 559 CO 0.72 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 176.29 1xoz n SER 560 N -4.19 0.30 -4.61 2.17 3.41 -1.26 -4.90 113.62 104.54 1xoz n SER 560 Ca -0.02 -1.86 -0.44 0.00 -0.26 0.00 0.00 58.87 56.28 1xoz n SER 560 Cb 0.12 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1xoz n SER 560 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xoz n PHE 561 N -0.40 1.47 -5.20 7.33 7.35 -0.96 -4.81 117.46 122.23 1xoz n PHE 561 Ca 0.05 0.67 -0.31 0.00 -0.76 0.00 0.00 57.45 57.10 1xoz n PHE 561 Cb 0.06 -2.29 -0.17 0.00 0.35 0.00 0.00 39.48 37.44 1xoz n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1xoz s SER 562 N -0.45 2.97 0.00 -2.13 0.15 -1.26 -5.03 113.70 107.94 1xoz s SER 562 Ca 0.59 -0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.00 1xoz s SER 562 Cb -0.69 -0.95 0.74 0.00 -1.71 0.00 0.00 66.02 63.41 1xoz s SER 562 CO 0.59 0.21 1.56 -0.90 1.20 0.00 0.00 173.24 175.91 1xoz n ASP 563 N 3.12 0.73 -0.11 5.45 5.75 -1.26 -4.60 116.55 125.63 1xoz n ASP 563 Ca -0.18 -0.57 0.08 0.00 -0.01 0.00 0.00 54.79 54.10 1xoz n ASP 563 Cb 0.52 0.13 0.42 0.00 -1.03 0.00 0.00 41.12 41.16 1xoz n ASP 563 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1xoz h PHE 564 N 0.66 0.60 -0.01 2.11 3.57 -2.02 -0.74 116.94 121.11 1xoz h PHE 564 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xoz h PHE 564 Cb 0.49 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xoz h PHE 564 CO 0.00 0.32 -0.06 0.39 -2.23 0.00 0.00 178.31 176.73 1xoz n GLU 565 N -4.48 1.42 -3.53 1.11 -0.58 -1.26 -4.91 120.64 108.41 1xoz n GLU 565 Ca 0.09 -0.78 -0.38 0.00 -0.42 0.00 0.00 57.16 55.67 1xoz n GLU 565 Cb 0.24 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 1xoz n GLU 565 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1xoz s LEU 566 N -2.12 4.45 0.89 -4.62 1.43 -0.29 -5.09 118.68 113.33 1xoz s LEU 566 Ca 0.35 0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 1xoz s LEU 566 Cb 0.21 -2.53 0.13 0.00 0.03 0.00 0.00 46.19 44.02 1xoz s LEU 566 CO 0.38 0.31 1.13 -0.94 0.23 0.00 0.00 176.35 177.46 1xoz s SER 567 N -0.93 3.67 0.24 2.29 1.04 -1.26 -4.85 113.70 113.90 1xoz s SER 567 Ca 0.23 1.05 -0.07 0.00 0.48 0.00 0.00 55.95 57.63 1xoz s SER 567 Cb -0.16 -1.66 0.24 0.00 0.10 0.00 0.00 66.02 64.54 1xoz s SER 567 CO 0.12 -2.46 1.91 0.44 0.98 0.00 0.00 173.24 174.23 1xoz h ASP 568 N -1.43 1.04 -0.79 7.02 5.19 -1.98 -1.43 116.42 124.04 1xoz h ASP 568 Ca -0.50 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.86 1xoz h ASP 568 Cb 1.32 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.54 1xoz h ASP 568 CO 0.61 0.74 0.39 0.25 -3.12 0.00 0.00 179.24 178.11 1xoz h LEU 569 N 1.22 1.02 -0.88 1.55 5.85 -1.99 -1.83 115.31 120.25 1xoz h LEU 569 Ca 0.34 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 1xoz h LEU 569 Cb -0.10 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 1xoz h LEU 569 CO -0.09 0.86 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.27 1xoz h GLU 570 N 1.11 0.50 -0.34 1.25 5.08 -1.73 -1.01 114.58 119.45 1xoz h GLU 570 Ca 0.27 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1xoz h GLU 570 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xoz h GLU 570 CO -0.04 0.73 -0.01 1.79 -1.00 0.00 0.00 179.01 180.49 1xoz h THR 571 N 0.44 1.20 -0.45 1.13 1.35 -0.74 -0.63 112.91 115.20 1xoz h THR 571 Ca 0.06 -0.80 -0.11 0.00 -0.55 0.00 0.00 66.41 65.01 1xoz h THR 571 Cb 0.71 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1xoz h THR 571 CO 0.05 0.27 -0.15 0.00 -0.25 0.00 0.00 175.52 175.45 1xoz h ALA 572 N 1.49 0.63 -0.66 6.62 0.00 -0.60 -1.85 119.26 124.89 1xoz h ALA 572 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1xoz h ALA 572 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xoz h ALA 572 CO 0.01 0.56 0.23 -0.07 0.00 0.00 0.00 179.25 179.98 1xoz h LEU 573 N 0.73 0.93 -0.88 0.00 3.38 -0.91 -1.36 115.31 117.21 1xoz h LEU 573 Ca 0.11 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1xoz h LEU 573 Cb 0.71 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1xoz h LEU 573 CO 0.05 0.87 0.56 0.00 0.09 0.00 0.00 178.44 180.01 1xoz h THR 575 N 1.06 1.24 -0.71 0.00 2.02 -0.87 -1.16 112.91 114.49 1xoz h THR 575 Ca 0.36 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1xoz h THR 575 Cb 0.07 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1xoz h THR 575 CO -0.14 0.31 0.44 0.40 0.37 0.00 0.00 175.52 176.90 1xoz h ILE 576 N 0.61 1.10 -0.47 3.11 2.04 -0.94 -2.04 117.51 120.92 1xoz h ILE 576 Ca 0.14 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1xoz h ILE 576 Cb 0.36 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1xoz h ILE 576 CO 0.01 0.16 0.20 -0.09 0.00 0.00 0.00 178.15 178.42 1xoz h ARG 577 N 0.87 0.66 -0.27 2.37 9.65 -0.76 -0.15 114.38 126.75 1xoz h ARG 577 Ca 0.28 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1xoz h ARG 577 Cb 0.02 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1xoz h ARG 577 CO -0.11 0.54 0.08 0.52 2.80 0.00 0.00 179.97 183.81 1xoz h MET 578 N 0.66 0.41 -0.72 0.20 2.86 -0.54 0.28 114.93 118.09 1xoz h MET 578 Ca 0.16 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1xoz h MET 578 Cb 0.12 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1xoz h MET 578 CO -0.02 0.48 0.21 0.74 1.06 0.00 0.00 176.91 179.39 1xoz h PHE 579 N 0.26 1.16 -0.01 -0.22 -1.00 -0.95 -2.42 116.94 113.76 1xoz h PHE 579 Ca 0.09 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1xoz h PHE 579 Cb 0.24 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.47 1xoz h PHE 579 CO 0.01 0.92 0.00 1.15 -1.61 0.00 0.00 178.31 178.78 1xoz h THR 580 N 1.07 1.21 0.00 -1.55 2.02 -0.69 -1.94 112.91 113.03 1xoz h THR 580 Ca 0.23 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1xoz h THR 580 Cb 0.31 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1xoz h THR 580 CO -0.01 0.16 0.00 0.47 0.37 0.00 0.00 175.52 176.51 1xoz n ASP 581 N -4.96 0.42 -0.68 4.18 9.92 0.06 -1.28 116.55 124.21 1xoz n ASP 581 Ca -0.08 0.56 0.09 0.00 -0.53 0.00 0.00 54.79 54.83 1xoz n ASP 581 Cb 0.15 -0.66 0.27 0.00 -0.64 0.00 0.00 41.12 40.23 1xoz n ASP 581 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1xoz n LEU 582 N -1.91 2.00 -0.88 0.64 4.77 -0.92 -4.94 117.00 115.76 1xoz n LEU 582 Ca 0.05 -0.92 -0.10 0.00 -0.03 0.00 0.00 56.01 55.01 1xoz n LEU 582 Cb 0.33 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1xoz n LEU 582 CO 0.25 0.46 -0.11 0.59 -1.33 0.00 0.00 177.39 177.26 1xoz n ASN 583 N 0.56 -4.08 0.04 -1.43 3.02 -0.40 -4.91 115.26 108.06 1xoz n ASN 583 Ca 0.15 0.20 -0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1xoz n ASN 583 Cb 0.35 -2.68 -0.13 0.00 -0.61 0.00 0.00 39.78 36.71 1xoz n ASN 583 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xoz h LEU 584 N 0.00 0.14 0.04 3.41 3.38 -1.53 -2.95 115.31 117.80 1xoz h LEU 584 Ca -0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1xoz h LEU 584 Cb 0.79 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1xoz h LEU 584 CO 0.31 1.16 -0.02 0.58 0.09 0.00 0.00 178.44 180.56 1xoz h VAL 585 N 0.03 1.22 0.74 1.22 2.07 -1.84 -2.32 116.25 117.38 1xoz h VAL 585 Ca -0.16 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1xoz h VAL 585 Cb 1.92 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1xoz h VAL 585 CO 0.13 0.21 -0.36 -0.61 0.02 0.00 0.00 177.57 176.96 1xoz h GLN 586 N -0.41 -0.96 -0.60 1.57 4.15 -1.90 -1.52 115.11 115.44 1xoz h GLN 586 Ca -0.00 0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.59 1xoz h GLN 586 Cb 0.38 0.22 -0.09 0.00 0.21 0.00 0.00 27.48 28.20 1xoz h GLN 586 CO 0.01 -0.63 0.13 -0.91 -1.93 0.00 0.00 178.83 175.50 1xoz h ASN 587 N -1.07 0.01 -0.55 -0.69 4.21 -1.57 -2.68 115.58 113.23 1xoz h ASN 587 Ca -0.10 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1xoz h ASN 587 Cb 0.78 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 1xoz h ASN 587 CO 0.17 0.01 0.00 0.49 -1.29 0.00 0.00 177.43 176.81 1xoz n PHE 588 N -5.13 0.74 -3.85 1.19 3.01 -0.87 -4.97 117.46 107.57 1xoz n PHE 588 Ca 0.09 -0.50 -0.28 0.00 1.01 0.00 0.00 57.45 57.77 1xoz n PHE 588 Cb 0.32 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1xoz n PHE 588 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1xoz n GLN 589 N 1.13 -2.62 -2.52 -1.08 1.13 -0.65 -4.50 117.38 108.28 1xoz n GLN 589 Ca 0.19 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 55.25 1xoz n GLN 589 Cb 0.53 -4.36 -0.03 0.00 0.11 0.00 0.00 30.24 26.49 1xoz n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1xoz s MET 590 N -6.37 4.44 0.20 -1.09 -1.94 -0.74 -4.85 119.30 108.96 1xoz s MET 590 Ca 0.17 1.64 -0.30 0.00 -1.71 0.00 0.00 55.69 55.49 1xoz s MET 590 Cb -0.07 -3.44 -0.08 0.00 2.01 0.00 0.00 34.83 33.26 1xoz s MET 590 CO 0.88 -0.26 1.17 0.15 -0.01 0.00 0.00 175.02 176.95 1xoz s LYS 591 N 1.38 4.52 0.18 2.03 1.02 -1.26 -4.88 119.74 122.73 1xoz s LYS 591 Ca 0.56 1.85 -0.13 0.00 0.02 0.00 0.00 55.97 58.26 1xoz s LYS 591 Cb -0.26 -3.24 0.13 0.00 -0.52 0.00 0.00 37.83 33.95 1xoz s LYS 591 CO 0.26 -0.03 1.78 1.25 -0.92 0.00 0.00 175.35 177.70 1xoz h HIS 592 N 5.02 0.44 -0.36 3.18 -0.00 -1.99 -1.78 115.15 119.65 1xoz h HIS 592 Ca -0.45 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 59.89 1xoz h HIS 592 Cb 1.21 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.48 1xoz h HIS 592 CO 0.62 0.21 0.02 1.49 -0.00 0.00 0.00 177.93 180.26 1xoz h GLU 593 N 0.47 0.55 -0.17 5.26 4.81 -1.95 -0.87 114.58 122.68 1xoz h GLU 593 Ca 0.22 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1xoz h GLU 593 Cb 0.14 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1xoz h GLU 593 CO -0.16 0.56 -0.26 0.28 -0.73 0.00 0.00 179.01 178.69 1xoz h VAL 594 N 0.53 1.35 -0.56 0.32 2.07 -1.59 -0.43 116.25 117.93 1xoz h VAL 594 Ca 0.11 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1xoz h VAL 594 Cb 0.31 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1xoz h VAL 594 CO 0.01 0.45 0.33 0.25 0.02 0.00 0.00 177.57 178.62 1xoz h LEU 595 N 0.11 0.68 -0.47 2.57 5.85 -1.12 0.38 115.31 123.32 1xoz h LEU 595 Ca 0.02 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1xoz h LEU 595 Cb 0.84 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1xoz h LEU 595 CO 0.06 0.56 0.25 0.00 -0.34 0.00 0.00 178.44 178.97 1xoz h ARG 597 N 0.50 0.75 -0.48 0.00 2.43 -0.63 -2.23 114.38 114.72 1xoz h ARG 597 Ca 0.20 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xoz h ARG 597 Cb 0.07 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1xoz h ARG 597 CO -0.12 0.66 0.32 2.35 -1.51 0.00 0.00 179.97 181.67 1xoz h TRP 598 N 0.67 0.61 -0.29 2.20 7.01 -0.64 0.28 115.95 125.80 1xoz h TRP 598 Ca 0.17 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1xoz h TRP 598 Cb 0.18 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1xoz h TRP 598 CO 0.00 0.39 0.19 0.82 -2.79 0.00 0.00 178.44 177.05 1xoz h ILE 599 N 0.65 1.08 -0.39 2.65 2.04 -1.08 0.10 117.51 122.57 1xoz h ILE 599 Ca 0.18 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1xoz h ILE 599 Cb -0.07 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1xoz h ILE 599 CO -0.04 0.07 -0.03 -0.07 0.00 0.00 0.00 178.15 178.09 1xoz h LEU 600 N 0.38 0.60 -0.45 1.44 3.38 -1.08 -1.13 115.31 118.46 1xoz h LEU 600 Ca 0.10 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1xoz h LEU 600 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xoz h LEU 600 CO -0.02 0.70 -0.13 0.28 0.09 0.00 0.00 178.44 179.35 1xoz h SER 601 N 0.60 0.89 0.16 -0.43 0.02 -0.40 -1.38 113.55 113.00 1xoz h SER 601 Ca 0.12 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1xoz h SER 601 Cb 0.42 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1xoz h SER 601 CO 0.02 1.06 -0.07 0.58 -1.14 0.00 0.00 176.83 177.27 1xoz h VAL 602 N 0.71 0.85 -0.76 2.27 2.07 -0.46 -2.17 116.25 118.76 1xoz h VAL 602 Ca 0.11 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.67 1xoz h VAL 602 Cb 0.68 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1xoz h VAL 602 CO 0.05 0.01 0.44 0.50 0.02 0.00 0.00 177.57 178.58 1xoz h LYS 603 N -0.22 0.75 0.00 1.57 3.64 -1.12 -1.79 116.57 119.40 1xoz h LYS 603 Ca -0.02 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1xoz h LYS 603 Cb 0.17 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1xoz h LYS 603 CO 0.04 0.50 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.27 1xoz h LYS 604 N 0.77 0.00 -0.37 1.90 3.64 -1.03 -2.93 116.57 118.56 1xoz h LYS 604 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1xoz h LYS 604 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xoz h LYS 604 CO -0.21 0.22 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 1xoz n ASN 605 N -3.98 1.94 -4.88 4.20 3.02 -0.68 -4.73 115.26 110.15 1xoz n ASN 605 Ca -0.02 -2.01 -0.32 0.00 -0.03 0.00 0.00 54.58 52.20 1xoz n ASN 605 Cb 0.30 -0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 1xoz n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1xoz s TYR 606 N -1.53 3.46 -0.44 3.10 1.51 -1.11 -0.58 117.35 121.77 1xoz s TYR 606 Ca 0.24 0.77 -0.21 0.00 -1.01 0.00 0.00 57.07 56.86 1xoz s TYR 606 Cb 0.13 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1xoz s TYR 606 CO 0.16 0.35 0.67 1.03 -1.11 0.00 0.00 175.55 176.66 1xoz s ARG 607 N -2.64 3.33 0.50 -0.62 0.52 -1.26 -4.88 118.95 113.90 1xoz s ARG 607 Ca 0.43 -0.29 0.16 0.00 -0.52 0.00 0.00 55.73 55.52 1xoz s ARG 607 Cb -0.12 -3.94 1.22 0.00 0.52 0.00 0.00 34.95 32.63 1xoz s ARG 607 CO 0.22 -1.01 2.10 0.87 0.02 0.00 0.00 175.30 177.49 1xoz h LYS 608 N 8.87 0.10 -0.03 3.54 1.57 -1.93 -1.97 116.57 126.72 1xoz h LYS 608 Ca -0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1xoz h LYS 608 Cb 1.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1xoz h LYS 608 CO 0.90 0.07 0.00 -1.71 -0.57 0.00 0.00 179.45 178.14 1xoz n ASN 609 N -4.50 2.05 -4.71 0.86 4.05 -1.26 -4.79 115.26 106.97 1xoz n ASN 609 Ca 0.01 -1.69 -0.42 0.00 0.45 0.00 0.00 54.58 52.93 1xoz n ASN 609 Cb 0.20 -0.01 -0.03 0.00 1.23 0.00 0.00 39.78 41.17 1xoz n ASN 609 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xoz s VAL 610 N -1.98 3.40 0.21 3.44 1.01 -0.74 -4.93 120.40 120.80 1xoz s VAL 610 Ca 0.34 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.21 1xoz s VAL 610 Cb 0.21 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 33.05 1xoz s VAL 610 CO 0.32 0.05 1.68 0.00 0.00 0.00 0.00 175.10 177.15 1xoz h ALA 611 N 7.14 0.92 0.00 5.51 0.00 -1.86 -3.39 119.26 127.58 1xoz h ALA 611 Ca -0.41 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 1xoz h ALA 611 Cb 1.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1xoz h ALA 611 CO 0.88 0.64 -1.40 0.98 0.00 0.00 0.00 179.25 180.34 1xoz n TYR 612 N -4.18 0.00 -2.21 0.00 4.19 -1.26 -4.81 117.16 108.89 1xoz n TYR 612 Ca 0.03 0.00 -0.43 0.00 3.31 0.00 0.00 57.90 60.81 1xoz n TYR 612 Cb 0.34 -0.34 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1xoz n TYR 612 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1xoz n HIS 613 N -3.52 3.80 -4.24 2.98 8.25 -1.26 -4.22 115.22 117.01 1xoz n HIS 613 Ca -0.18 -2.95 -0.13 0.00 -0.26 0.00 0.00 57.72 54.20 1xoz n HIS 613 Cb 0.58 -2.38 -0.04 0.00 1.12 0.00 0.00 29.99 29.27 1xoz n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1xoz n ASN 614 N 5.96 0.75 -0.17 0.41 0.23 -1.26 -4.56 115.26 116.61 1xoz n ASN 614 Ca 0.46 -2.18 0.09 0.00 -0.53 0.00 0.00 54.58 52.43 1xoz n ASN 614 Cb 0.40 0.64 0.41 0.00 -2.08 0.00 0.00 39.78 39.15 1xoz n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1xoz h TRP 615 N 1.42 0.67 -0.32 -2.53 2.91 -1.87 -1.18 115.95 115.05 1xoz h TRP 615 Ca -0.16 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.82 1xoz h TRP 615 Cb 0.66 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 1xoz h TRP 615 CO 0.00 0.32 -0.04 0.00 -1.03 0.00 0.00 178.44 177.69 1xoz h ARG 616 N 0.63 0.50 -0.48 2.65 2.47 -1.96 0.52 114.38 118.71 1xoz h ARG 616 Ca 0.33 -0.12 -0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1xoz h ARG 616 Cb 0.45 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1xoz h ARG 616 CO -0.12 0.57 0.02 1.25 0.56 0.00 0.00 179.97 182.25 1xoz h HIS 617 N 0.48 0.91 -0.36 3.04 -0.00 -1.39 -0.59 115.15 117.25 1xoz h HIS 617 Ca 0.10 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1xoz h HIS 617 Cb 0.38 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1xoz h HIS 617 CO 0.01 0.86 0.16 0.00 -0.00 0.00 0.00 177.93 178.96 1xoz h ALA 618 N 0.93 0.46 -0.31 5.26 0.00 -1.21 -0.83 119.26 123.57 1xoz h ALA 618 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xoz h ALA 618 Cb 0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1xoz h ALA 618 CO 0.02 0.05 0.08 0.35 0.00 0.00 0.00 179.25 179.74 1xoz h PHE 619 N 0.44 0.13 -0.61 0.00 3.57 -0.87 -1.13 116.94 118.47 1xoz h PHE 619 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1xoz h PHE 619 Cb 0.16 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1xoz h PHE 619 CO -0.01 0.04 0.24 -0.91 -2.23 0.00 0.00 178.31 175.45 1xoz h ASN 620 N 0.19 0.80 -0.41 0.41 2.35 -0.91 0.79 115.58 118.81 1xoz h ASN 620 Ca 0.14 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1xoz h ASN 620 Cb 0.14 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1xoz h ASN 620 CO -0.17 0.72 0.16 0.74 -1.65 0.00 0.00 177.43 177.23 1xoz h THR 621 N 0.87 1.20 -0.71 2.81 2.02 -0.74 0.05 112.91 118.41 1xoz h THR 621 Ca 0.21 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1xoz h THR 621 Cb 0.17 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1xoz h THR 621 CO -0.02 0.23 0.17 0.00 0.37 0.00 0.00 175.52 176.28 1xoz h ALA 622 N 1.00 0.94 -0.68 6.16 0.00 -0.82 -1.17 119.26 124.68 1xoz h ALA 622 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1xoz h ALA 622 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1xoz h ALA 622 CO -0.01 0.66 0.18 0.37 0.00 0.00 0.00 179.25 180.45 1xoz h GLN 623 N 1.07 1.08 -0.79 0.00 -0.00 -0.56 0.38 115.11 116.31 1xoz h GLN 623 Ca 0.22 -0.25 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1xoz h GLN 623 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.67 1xoz h GLN 623 CO 0.00 0.95 0.41 0.00 0.00 0.00 0.00 178.83 180.20 1xoz h MET 625 N 1.10 0.37 -0.44 0.00 1.85 -0.68 0.18 114.93 117.30 1xoz h MET 625 Ca 0.27 -0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.35 1xoz h MET 625 Cb 0.07 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 1xoz h MET 625 CO -0.04 0.24 0.28 0.35 -0.40 0.00 0.00 176.91 177.34 1xoz h PHE 626 N 0.38 0.53 -0.64 1.39 3.57 -0.54 -0.51 116.94 121.12 1xoz h PHE 626 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1xoz h PHE 626 Cb -0.01 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1xoz h PHE 626 CO -0.07 0.33 0.34 0.00 -2.23 0.00 0.00 178.31 176.67 1xoz h ALA 627 N 1.18 0.83 -0.76 2.41 0.00 -0.71 -0.64 119.26 121.56 1xoz h ALA 627 Ca 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xoz h ALA 627 Cb -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1xoz h ALA 627 CO -0.05 0.36 0.34 0.00 0.00 0.00 0.00 179.25 179.90 1xoz h ALA 628 N 1.16 0.99 -0.51 0.00 0.00 -0.37 0.23 119.26 120.76 1xoz h ALA 628 Ca 0.23 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1xoz h ALA 628 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xoz h ALA 628 CO -0.03 0.58 -0.13 -0.07 0.00 0.00 0.00 179.25 179.59 1xoz h LEU 629 N 1.09 0.98 0.00 0.00 3.38 -0.70 -2.27 115.31 117.79 1xoz h LEU 629 Ca 0.26 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xoz h LEU 629 Cb 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xoz h LEU 629 CO -0.03 1.11 0.00 0.29 0.09 0.00 0.00 178.44 179.90 1xoz n LYS 630 N -4.14 0.00 -0.21 1.13 4.76 -0.28 -1.23 118.16 118.19 1xoz n LYS 630 Ca 0.01 0.03 0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1xoz n LYS 630 Cb 0.41 -0.34 0.28 0.00 -1.84 0.00 0.00 35.03 33.54 1xoz n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xoz h ALA 631 N -2.00 1.55 -0.00 7.82 0.00 -0.84 -1.93 119.26 123.86 1xoz h ALA 631 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xoz h ALA 631 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1xoz h ALA 631 CO 0.00 0.37 -0.08 0.41 0.00 0.00 0.00 179.25 179.95 1xoz n GLY 632 N -1.43 -1.08 2.54 0.00 0.00 -0.29 -4.74 105.19 100.20 1xoz n GLY 632 Ca 0.10 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1xoz n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xoz n LYS 633 N -1.10 -2.49 0.12 1.61 5.02 -0.73 -4.23 118.16 116.37 1xoz n LYS 633 Ca 0.14 0.93 0.05 0.00 -2.02 0.00 0.00 58.31 57.41 1xoz n LYS 633 Cb 0.26 -5.57 0.02 0.00 -0.02 0.00 0.00 35.03 29.73 1xoz n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xoz h ILE 634 N -0.40 0.45 -0.60 -0.18 1.08 -1.07 -3.39 117.51 113.40 1xoz h ILE 634 Ca -0.48 -1.71 0.12 0.00 -0.39 0.00 0.00 64.86 62.40 1xoz h ILE 634 Cb 1.35 2.08 -0.09 0.00 -3.07 0.00 0.00 36.82 37.08 1xoz h ILE 634 CO 0.55 0.26 0.08 0.06 -0.69 0.00 0.00 178.15 178.40 1xoz h GLN 635 N 0.00 0.19 0.00 2.37 3.07 -1.40 -0.87 115.11 118.47 1xoz h GLN 635 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1xoz h GLN 635 Cb 1.29 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.81 1xoz h GLN 635 CO 0.04 0.13 0.00 0.09 0.09 0.00 0.00 178.83 179.17 1xoz n ASN 636 N -5.19 0.00 0.02 0.06 3.02 -1.26 -1.71 115.26 110.20 1xoz n ASN 636 Ca 0.09 0.11 0.13 0.00 -0.03 0.00 0.00 54.58 54.88 1xoz n ASN 636 Cb 0.34 -0.33 0.39 0.00 -0.61 0.00 0.00 39.78 39.56 1xoz n ASN 636 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xoz n LYS 637 N -1.33 0.07 -4.46 3.52 5.02 -0.33 -4.96 118.16 115.69 1xoz n LYS 637 Ca 0.08 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 1xoz n LYS 637 Cb 0.18 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 1xoz n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xoz s LEU 638 N -3.33 2.65 0.62 -0.35 1.43 -0.69 -5.07 118.68 113.94 1xoz s LEU 638 Ca 0.11 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 1xoz s LEU 638 Cb 0.17 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 1xoz s LEU 638 CO 0.63 0.02 0.97 0.42 0.23 0.00 0.00 176.35 178.62 1xoz s THR 639 N -2.50 4.04 0.25 5.49 -4.23 -1.26 -4.92 115.64 112.51 1xoz s THR 639 Ca 0.30 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 1xoz s THR 639 Cb -0.05 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.40 1xoz s THR 639 CO 0.16 -0.74 1.80 0.44 -0.54 0.00 0.00 174.62 175.74 1xoz h ASP 640 N -0.30 0.65 -0.37 3.99 3.32 -1.99 -1.38 116.42 120.34 1xoz h ASP 640 Ca -0.45 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 1xoz h ASP 640 Cb 1.23 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1xoz h ASP 640 CO 0.62 0.35 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.27 1xoz h LEU 641 N 0.76 0.83 -0.42 1.55 3.38 -1.99 -0.81 115.31 118.61 1xoz h LEU 641 Ca 0.42 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xoz h LEU 641 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xoz h LEU 641 CO -0.28 0.98 0.26 -0.33 0.09 0.00 0.00 178.44 179.17 1xoz h GLU 642 N 0.74 0.57 -0.43 1.13 5.08 -1.83 -0.54 114.58 119.31 1xoz h GLU 642 Ca 0.12 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1xoz h GLU 642 Cb 0.66 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1xoz h GLU 642 CO 0.05 0.41 0.06 0.82 -1.00 0.00 0.00 179.01 179.35 1xoz h ILE 643 N 0.56 1.25 -0.29 3.13 2.04 -0.98 0.51 117.51 123.73 1xoz h ILE 643 Ca 0.15 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1xoz h ILE 643 Cb -0.02 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1xoz h ILE 643 CO -0.03 0.31 0.05 0.25 0.00 0.00 0.00 178.15 178.73 1xoz h LEU 644 N 0.56 -0.01 -0.53 1.44 5.85 -1.02 -1.43 115.31 120.18 1xoz h LEU 644 Ca 0.13 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1xoz h LEU 644 Cb 0.39 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1xoz h LEU 644 CO 0.01 0.03 -0.04 0.00 -0.34 0.00 0.00 178.44 178.10 1xoz h ALA 645 N 1.22 0.72 -0.65 1.25 0.00 -0.79 -2.25 119.26 118.76 1xoz h ALA 645 Ca 0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1xoz h ALA 645 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xoz h ALA 645 CO -0.19 0.58 0.15 -0.07 0.00 0.00 0.00 179.25 179.72 1xoz h LEU 646 N 0.84 0.99 -0.13 0.00 3.38 -0.72 0.21 115.31 119.89 1xoz h LEU 646 Ca 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xoz h LEU 646 Cb 0.59 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xoz h LEU 646 CO 0.04 0.97 0.02 0.25 0.09 0.00 0.00 178.44 179.81 1xoz h LEU 647 N 0.97 0.20 -0.47 1.67 5.85 -1.16 0.81 115.31 123.18 1xoz h LEU 647 Ca 0.20 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1xoz h LEU 647 Cb 0.37 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1xoz h LEU 647 CO 0.00 0.41 0.27 0.40 -0.34 0.00 0.00 178.44 179.17 1xoz h ILE 648 N -0.01 1.01 -0.58 4.05 2.04 -1.31 -1.89 117.51 120.82 1xoz h ILE 648 Ca 0.04 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1xoz h ILE 648 Cb 0.29 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1xoz h ILE 648 CO 0.00 0.10 0.23 0.00 0.00 0.00 0.00 178.15 178.48 1xoz h ALA 649 N 1.23 0.75 -0.51 1.87 0.00 -0.46 -1.15 119.26 120.99 1xoz h ALA 649 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xoz h ALA 649 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xoz h ALA 649 CO -0.11 0.37 0.33 0.00 0.00 0.00 0.00 179.25 179.83 1xoz h ALA 650 N 1.08 0.64 -0.02 0.00 0.00 -0.55 0.68 119.26 121.09 1xoz h ALA 650 Ca 0.19 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1xoz h ALA 650 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xoz h ALA 650 CO -0.02 0.10 -0.42 -0.07 0.00 0.00 0.00 179.25 178.85 1xoz h LEU 651 N 0.68 0.05 -0.73 0.00 3.38 -1.11 -3.27 115.31 114.32 1xoz h LEU 651 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xoz h LEU 651 Cb -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xoz h LEU 651 CO -0.04 0.46 -0.62 -1.54 0.09 0.00 0.00 178.44 176.80 1xoz n SER 652 N -4.04 1.76 0.20 -0.43 3.41 -0.45 -4.71 113.62 109.35 1xoz n SER 652 Ca -0.02 -1.38 0.14 0.00 -0.26 0.00 0.00 58.87 57.36 1xoz n SER 652 Cb 0.45 0.62 0.60 0.00 -0.26 0.00 0.00 64.21 65.62 1xoz n SER 652 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1xoz h HIS 653 N 1.78 0.00 0.00 7.33 2.07 -0.93 -2.39 115.15 123.02 1xoz h HIS 653 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xoz h HIS 653 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 1xoz h HIS 653 CO 0.00 0.00 -0.02 -0.25 -3.07 0.00 0.00 177.93 174.59 1xoz n ASP 654 N -2.60 2.24 -4.60 3.10 8.00 -1.26 -4.83 116.55 116.59 1xoz n ASP 654 Ca 0.01 -3.02 -0.50 0.00 0.71 0.00 0.00 54.79 52.00 1xoz n ASP 654 Cb 0.25 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.89 1xoz n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xoz n LEU 655 N -1.36 1.88 -1.93 0.64 4.77 -0.90 -1.75 117.00 118.35 1xoz n LEU 655 Ca 0.15 1.12 -0.18 0.00 -0.03 0.00 0.00 56.01 57.07 1xoz n LEU 655 Cb 0.63 -1.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 1xoz n LEU 655 CO 0.01 -1.00 -0.22 -0.67 -1.33 0.00 0.00 177.39 174.18 1xoz n ASP 656 N 2.44 -5.22 -4.70 -1.43 2.03 0.26 -4.44 116.55 105.48 1xoz n ASP 656 Ca 0.17 0.06 -0.42 0.00 0.52 0.00 0.00 54.79 55.12 1xoz n ASP 656 Cb 0.23 -4.30 -0.03 0.00 -0.72 0.00 0.00 41.12 36.30 1xoz n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1xoz s HIS 657 N -2.86 2.51 -1.79 -0.67 5.65 -0.72 -4.90 115.29 112.52 1xoz s HIS 657 Ca 0.00 0.17 0.31 0.00 0.25 0.00 0.00 55.06 55.79 1xoz s HIS 657 Cb 0.00 -4.14 1.74 0.00 -1.18 0.00 0.00 32.58 29.00 1xoz s HIS 657 CO 0.00 -4.54 2.14 -0.35 -0.65 0.00 0.00 174.74 171.34 1xoz n PRO 658 N 4.90 0.78 -0.96 2.88 -0.04 -1.26 -4.59 135.00 136.71 1xoz n PRO 658 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1xoz n PRO 658 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1xoz n PRO 658 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xoz n GLY 659 N 1.06 0.45 3.15 0.55 0.00 -1.26 -5.02 105.19 104.12 1xoz n GLY 659 Ca 0.20 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1xoz n GLY 659 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xoz s VAL 660 N -2.00 0.66 0.67 1.61 -7.23 -1.26 -4.61 120.40 108.25 1xoz s VAL 660 Ca 0.00 -1.79 -0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1xoz s VAL 660 Cb 0.00 -1.50 0.04 0.00 0.56 0.00 0.00 36.38 35.48 1xoz s VAL 660 CO 0.00 -0.79 1.00 -0.94 -0.31 0.00 0.00 175.10 174.06 1xoz s SER 661 N -2.80 5.14 0.22 4.85 1.04 -1.26 -4.90 113.70 115.99 1xoz s SER 661 Ca 0.08 0.65 -0.08 0.00 0.48 0.00 0.00 55.95 57.09 1xoz s SER 661 Cb 0.03 -1.43 0.36 0.00 0.10 0.00 0.00 66.02 65.07 1xoz s SER 661 CO -0.04 -1.41 1.72 0.78 0.98 0.00 0.00 173.24 175.27 1xoz h ASN 662 N -0.50 0.14 -0.96 7.02 2.35 -2.00 -1.82 115.58 119.81 1xoz h ASN 662 Ca -0.45 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1xoz h ASN 662 Cb 1.29 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 39.73 1xoz h ASN 662 CO 0.61 0.06 0.63 -0.61 -1.65 0.00 0.00 177.43 176.47 1xoz h GLN 663 N 0.35 1.27 -0.63 0.81 5.75 -1.97 -0.94 115.11 119.75 1xoz h GLN 663 Ca 0.35 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1xoz h GLN 663 Cb 0.52 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 1xoz h GLN 663 CO -0.39 0.85 0.35 0.35 -2.65 0.00 0.00 178.83 177.33 1xoz h PHE 664 N 1.31 0.86 -0.67 3.99 3.04 -1.77 -0.35 116.94 123.35 1xoz h PHE 664 Ca 0.35 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.22 1xoz h PHE 664 Cb -0.14 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.07 1xoz h PHE 664 CO -0.00 0.62 0.19 -0.07 -2.02 0.00 0.00 178.31 177.02 1xoz h LEU 665 N 0.85 0.97 -0.31 0.59 3.38 -0.60 -1.15 115.31 119.04 1xoz h LEU 665 Ca 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xoz h LEU 665 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1xoz h LEU 665 CO -0.04 0.92 0.15 0.40 0.09 0.00 0.00 178.44 179.96 1xoz h ILE 666 N 0.99 1.15 0.00 1.22 2.04 -0.97 -1.53 117.51 120.41 1xoz h ILE 666 Ca 0.22 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1xoz h ILE 666 Cb 0.31 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1xoz h ILE 666 CO -0.00 0.16 -0.18 0.78 0.00 0.00 0.00 178.15 178.90 1xoz h ASN 667 N 0.37 0.00 -0.68 1.72 2.35 -0.74 -2.39 115.58 116.20 1xoz h ASN 667 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1xoz h ASN 667 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xoz h ASN 667 CO -0.01 0.18 0.00 0.35 -1.65 0.00 0.00 177.43 176.30 1xoz n THR 668 N -3.34 1.47 -3.77 2.81 -2.24 -0.46 -4.96 114.28 103.78 1xoz n THR 668 Ca 0.00 -1.08 -0.26 0.00 -2.27 0.00 0.00 64.05 60.43 1xoz n THR 668 Cb 0.41 0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1xoz n THR 668 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xoz n ASN 669 N 1.34 -4.52 -4.75 3.42 3.02 -0.90 -4.91 115.26 107.95 1xoz n ASN 669 Ca 0.25 -0.71 -0.37 0.00 -0.03 0.00 0.00 54.58 53.71 1xoz n ASN 669 Cb 0.77 -4.29 0.03 0.00 -0.61 0.00 0.00 39.78 35.68 1xoz n ASN 669 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xoz s SER 670 N -3.54 5.42 0.47 6.41 1.04 -0.60 -4.89 113.70 118.02 1xoz s SER 670 Ca 0.50 2.57 0.18 0.00 0.48 0.00 0.00 55.95 59.69 1xoz s SER 670 Cb -0.24 -2.62 1.15 0.00 0.10 0.00 0.00 66.02 64.40 1xoz s SER 670 CO 0.79 -1.45 2.03 -0.33 0.98 0.00 0.00 173.24 175.26 1xoz h GLU 671 N 1.43 0.00 -0.54 4.02 5.08 -1.91 -2.21 114.58 120.45 1xoz h GLU 671 Ca -0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1xoz h GLU 671 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1xoz h GLU 671 CO 0.57 0.15 0.26 -0.07 -1.00 0.00 0.00 179.01 178.92 1xoz h LEU 672 N 0.00 0.70 -0.93 1.33 4.07 -1.94 0.03 115.31 118.57 1xoz h LEU 672 Ca -0.00 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 1xoz h LEU 672 Cb 0.29 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1xoz h LEU 672 CO 0.02 0.63 0.16 0.00 -1.08 0.00 0.00 178.44 178.17 1xoz h ALA 673 N 1.10 1.13 -0.05 1.53 0.00 -1.71 -1.38 119.26 119.88 1xoz h ALA 673 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xoz h ALA 673 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xoz h ALA 673 CO -0.02 0.59 0.02 1.25 0.00 0.00 0.00 179.25 181.08 1xoz h LEU 674 N 0.91 0.07 -1.03 0.00 6.46 -1.13 -0.64 115.31 119.96 1xoz h LEU 674 Ca 0.20 -0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1xoz h LEU 674 Cb 0.31 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 1xoz h LEU 674 CO -0.00 0.23 0.65 0.24 -0.62 0.00 0.00 178.44 178.93 1xoz h MET 675 N -0.09 1.18 -0.69 1.25 2.86 -0.71 -2.84 114.93 115.89 1xoz h MET 675 Ca 0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1xoz h MET 675 Cb 0.18 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1xoz h MET 675 CO -0.00 0.78 0.00 0.66 1.06 0.00 0.00 176.91 179.41 1xoz n TYR 676 N -4.46 1.27 -2.77 -0.22 0.53 -0.55 -4.96 117.16 106.01 1xoz n TYR 676 Ca 0.14 -0.56 -0.22 0.00 -1.02 0.00 0.00 57.90 56.24 1xoz n TYR 676 Cb 0.13 -0.14 0.02 0.00 -1.03 0.00 0.00 39.34 38.32 1xoz n TYR 676 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1xoz n ASN 676 N 1.37 -5.95 0.00 7.72 4.13 -0.51 -1.74 115.26 120.29 1xoz n ASN 676 Ca 0.25 -0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1xoz n ASN 676 Cb 0.78 -4.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 1xoz n ASN 676 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1xoz n ASP 677 N -2.30 -5.18 -4.49 6.41 8.00 -0.36 -4.97 116.55 113.65 1xoz n ASP 677 Ca -0.17 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.97 1xoz n ASP 677 Cb 0.65 -2.75 -0.12 0.00 -0.02 0.00 0.00 41.12 38.88 1xoz n ASP 677 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xoz s GLU 678 N -1.49 3.73 -1.43 -1.24 2.02 -0.71 -4.62 118.70 114.96 1xoz s GLU 678 Ca 0.00 -0.44 -0.10 0.00 0.02 0.00 0.00 54.97 54.45 1xoz s GLU 678 Cb 0.00 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.88 1xoz s GLU 678 CO 0.00 -0.14 0.25 0.43 0.02 0.00 0.00 175.26 175.82 1xoz n SER 679 N 4.80 -0.73 0.32 -0.19 7.64 -1.26 -4.80 113.62 119.39 1xoz n SER 679 Ca -0.16 -1.25 -0.17 0.00 1.01 0.00 0.00 58.87 58.30 1xoz n SER 679 Cb 0.52 -1.82 -0.08 0.00 -1.01 0.00 0.00 64.21 61.82 1xoz n SER 679 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1xoz h VAL 680 N -2.04 0.34 -0.52 0.44 2.07 -1.89 -0.63 116.25 114.02 1xoz h VAL 680 Ca -0.67 0.00 0.06 0.00 0.82 0.00 0.00 66.70 66.91 1xoz h VAL 680 Cb 1.40 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1xoz h VAL 680 CO 0.64 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 178.39 1xoz h LEU 681 N -0.82 0.28 -0.90 2.57 -0.00 -1.95 -2.31 115.31 112.18 1xoz h LEU 681 Ca -0.07 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1xoz h LEU 681 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 1xoz h LEU 681 CO 0.08 0.19 0.31 -0.33 -0.00 0.00 0.00 178.44 178.69 1xoz h GLU 682 N 0.43 1.10 -0.49 1.13 3.07 -1.79 0.24 114.58 118.28 1xoz h GLU 682 Ca 0.24 -0.19 0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1xoz h GLU 682 Cb 0.21 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 1xoz h GLU 682 CO -0.21 0.89 0.24 0.45 -1.40 0.00 0.00 179.01 178.98 1xoz h HIS 683 N 1.08 0.43 -0.63 4.33 3.86 -0.95 -1.11 115.15 122.16 1xoz h HIS 683 Ca 0.25 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 1xoz h HIS 683 Cb 0.19 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1xoz h HIS 683 CO 0.02 0.21 0.26 1.25 0.86 0.00 0.00 177.93 180.53 1xoz h HIS 684 N 0.47 0.96 -0.91 2.45 -0.00 -0.62 -1.28 115.15 116.21 1xoz h HIS 684 Ca 0.22 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1xoz h HIS 684 Cb 0.14 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.21 1xoz h HIS 684 CO -0.11 0.75 0.57 0.45 -0.00 0.00 0.00 177.93 179.60 1xoz h HIS 685 N 0.89 1.19 -0.60 5.26 3.86 -0.33 -0.98 115.15 124.43 1xoz h HIS 685 Ca 0.21 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 1xoz h HIS 685 Cb 0.20 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1xoz h HIS 685 CO 0.01 0.77 0.22 0.35 0.86 0.00 0.00 177.93 180.15 1xoz h PHE 686 N 1.25 0.94 -0.35 2.45 3.57 -0.90 0.60 116.94 124.50 1xoz h PHE 686 Ca 0.33 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1xoz h PHE 686 Cb -0.08 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 1xoz h PHE 686 CO -0.00 0.76 0.19 -0.44 -2.23 0.00 0.00 178.31 176.59 1xoz h ASP 687 N 0.84 0.29 -0.87 0.41 5.19 -0.73 -0.70 116.42 120.85 1xoz h ASP 687 Ca 0.20 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1xoz h ASP 687 Cb 0.24 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 1xoz h ASP 687 CO -0.01 0.21 0.51 1.56 -3.12 0.00 0.00 179.24 178.39 1xoz h GLN 688 N 0.39 1.19 -0.25 3.56 1.08 -0.97 -1.21 115.11 118.91 1xoz h GLN 688 Ca 0.14 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1xoz h GLN 688 Cb 0.03 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 1xoz h GLN 688 CO -0.09 0.85 0.13 0.00 -0.95 0.00 0.00 178.83 178.78 1xoz h LEU 690 N 0.28 0.96 -0.71 0.00 3.38 -0.85 -1.49 115.31 116.88 1xoz h LEU 690 Ca 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xoz h LEU 690 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1xoz h LEU 690 CO -0.06 0.90 0.45 -0.03 0.09 0.00 0.00 178.44 179.79 1xoz h MET 691 N 0.99 0.95 -0.17 1.13 4.05 -0.66 -1.29 114.93 119.92 1xoz h MET 691 Ca 0.22 -0.07 -0.14 0.00 -0.28 0.00 0.00 59.70 59.43 1xoz h MET 691 Cb 0.30 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1xoz h MET 691 CO -0.01 0.65 -0.43 0.82 0.23 0.00 0.00 176.91 178.17 1xoz h ILE 692 N 0.96 1.34 -0.12 1.77 2.04 -1.05 -2.38 117.51 120.06 1xoz h ILE 692 Ca 0.26 -1.68 0.04 0.00 1.00 0.00 0.00 64.86 64.47 1xoz h ILE 692 Cb -0.07 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1xoz h ILE 692 CO -0.05 0.52 0.12 -0.07 0.00 0.00 0.00 178.15 178.66 1xoz h LEU 693 N 0.25 0.00 -0.54 1.44 3.38 -1.00 -2.11 115.31 116.73 1xoz h LEU 693 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xoz h LEU 693 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1xoz h LEU 693 CO 0.09 0.00 -0.50 0.59 0.09 0.00 0.00 178.44 178.72 1xoz n ASN 694 N -4.01 1.33 -4.76 -0.43 3.02 -0.51 -4.09 115.26 105.82 1xoz n ASN 694 Ca 0.00 -1.06 -0.40 0.00 -0.03 0.00 0.00 54.58 53.08 1xoz n ASN 694 Cb 0.23 0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.78 1xoz n ASN 694 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xoz s SER 695 N -2.64 7.30 0.17 6.41 1.04 -0.79 -4.94 113.70 120.24 1xoz s SER 695 Ca 0.18 2.23 -0.34 0.00 0.48 0.00 0.00 55.95 58.50 1xoz s SER 695 Cb 0.18 -2.62 -0.15 0.00 0.10 0.00 0.00 66.02 63.53 1xoz s SER 695 CO 0.62 -0.13 1.32 -2.65 0.98 0.00 0.00 173.24 173.39 1xoz n PRO 696 N 1.36 1.51 -0.24 4.02 -0.02 -1.26 -1.31 135.00 139.06 1xoz n PRO 696 Ca -0.01 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1xoz n PRO 696 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1xoz n PRO 696 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xoz n GLY 697 N 2.38 2.12 0.19 -1.23 0.00 -1.26 -4.85 105.19 102.54 1xoz n GLY 697 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1xoz n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xoz n ASN 698 N 0.00 2.12 -4.17 1.61 4.13 -0.42 -4.48 115.26 114.04 1xoz n ASN 698 Ca 0.00 -1.85 -0.43 0.00 1.68 0.00 0.00 54.58 53.99 1xoz n ASN 698 Cb 0.00 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1xoz n ASN 698 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xoz n GLN 699 N -0.11 3.11 0.03 3.52 6.02 -1.25 -4.64 117.38 124.06 1xoz n GLN 699 Ca 0.03 -3.08 0.07 0.00 -0.01 0.00 0.00 57.00 54.02 1xoz n GLN 699 Cb 0.27 -3.33 0.32 0.00 1.02 0.00 0.00 30.24 28.52 1xoz n GLN 699 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1xoz n ILE 700 N 5.46 1.09 0.57 5.09 -5.35 -1.26 -1.73 119.36 123.23 1xoz n ILE 700 Ca 0.48 0.29 0.10 0.00 -0.27 0.00 0.00 62.75 63.35 1xoz n ILE 700 Cb 0.42 -1.11 0.12 0.00 -1.74 0.00 0.00 39.64 37.32 1xoz n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1xoz n LEU 701 N -1.67 2.80 0.29 7.28 4.77 -1.26 -4.62 117.00 124.59 1xoz n LEU 701 Ca 0.03 -1.21 0.18 0.00 -0.03 0.00 0.00 56.01 54.98 1xoz n LEU 701 Cb 0.16 -0.08 0.99 0.00 -2.33 0.00 0.00 43.42 42.15 1xoz n LEU 701 CO 0.13 0.54 1.15 0.77 -1.33 0.00 0.00 177.39 178.65 1xoz h SER 702 N 3.69 0.00 0.74 -1.43 4.64 -1.70 -1.75 113.55 117.74 1xoz h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xoz h SER 702 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1xoz h SER 702 CO 0.00 0.00 -0.28 0.61 -0.87 0.00 0.00 176.83 176.29 1xoz n GLY 703 N -1.26 -1.37 3.79 -0.77 0.00 -1.26 -4.92 105.19 99.40 1xoz n GLY 703 Ca -0.02 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1xoz n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xoz s LEU 704 N -3.05 3.79 0.99 0.99 1.43 -0.66 -4.96 118.68 117.21 1xoz s LEU 704 Ca 0.12 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1xoz s LEU 704 Cb 0.18 -4.56 0.19 0.00 0.03 0.00 0.00 46.19 42.02 1xoz s LEU 704 CO 0.62 -0.93 1.08 -0.94 0.23 0.00 0.00 176.35 176.41 1xoz s SER 705 N -2.00 2.56 0.18 2.29 1.04 -1.26 -4.72 113.70 111.78 1xoz s SER 705 Ca 0.68 1.44 -0.14 0.00 0.48 0.00 0.00 55.95 58.41 1xoz s SER 705 Cb -0.18 -2.12 0.12 0.00 0.10 0.00 0.00 66.02 63.94 1xoz s SER 705 CO 0.23 -3.20 1.78 0.40 0.98 0.00 0.00 173.24 173.43 1xoz h ILE 706 N -1.94 0.96 -0.58 -1.02 1.08 -1.99 0.44 117.51 114.45 1xoz h ILE 706 Ca -0.54 -0.16 -0.10 0.00 -0.39 0.00 0.00 64.86 63.67 1xoz h ILE 706 Cb 1.31 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1xoz h ILE 706 CO 0.54 0.09 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.97 1xoz h GLU 707 N 0.47 1.05 -0.45 2.37 4.81 -2.00 -1.89 114.58 118.95 1xoz h GLU 707 Ca 0.21 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1xoz h GLU 707 Cb 0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1xoz h GLU 707 CO -0.15 1.04 -0.13 0.93 -0.73 0.00 0.00 179.01 179.97 1xoz h GLU 708 N 0.95 0.88 -0.13 1.92 5.08 -1.84 -2.28 114.58 119.15 1xoz h GLU 708 Ca 0.16 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1xoz h GLU 708 Cb 0.59 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1xoz h GLU 708 CO 0.04 0.99 0.08 -0.92 -1.00 0.00 0.00 179.01 178.20 1xoz h TYR 709 N 0.71 0.17 -0.30 4.33 3.20 -0.81 -0.37 116.97 123.91 1xoz h TYR 709 Ca 0.11 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1xoz h TYR 709 Cb 0.68 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 1xoz h TYR 709 CO 0.05 0.14 -0.03 0.87 -1.64 0.00 0.00 178.16 177.55 1xoz h LYS 710 N 0.15 0.05 -0.29 1.82 1.57 -1.30 -1.41 116.57 117.16 1xoz h LYS 710 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xoz h LYS 710 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xoz h LYS 710 CO -0.01 0.04 0.15 1.15 -0.57 0.00 0.00 179.45 180.21 1xoz h THR 711 N 0.06 1.14 -0.47 -0.16 2.02 -1.23 -2.60 112.91 111.66 1xoz h THR 711 Ca 0.14 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1xoz h THR 711 Cb 0.20 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1xoz h THR 711 CO -0.26 0.14 0.27 0.74 0.37 0.00 0.00 175.52 176.78 1xoz h THR 712 N 0.35 1.16 -0.33 3.16 2.02 -0.65 -2.15 112.91 116.46 1xoz h THR 712 Ca 0.10 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1xoz h THR 712 Cb 0.09 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1xoz h THR 712 CO -0.01 0.16 -0.03 -0.07 0.37 0.00 0.00 175.52 175.94 1xoz h LEU 713 N 0.62 0.49 -0.59 2.58 3.38 -1.15 -0.30 115.31 120.35 1xoz h LEU 713 Ca 0.17 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1xoz h LEU 713 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1xoz h LEU 713 CO -0.03 0.58 0.11 0.50 0.09 0.00 0.00 178.44 179.69 1xoz h LYS 714 N 0.49 0.96 -0.44 1.13 3.64 -1.07 -1.57 116.57 119.71 1xoz h LYS 714 Ca 0.10 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 1xoz h LYS 714 Cb 0.36 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1xoz h LYS 714 CO 0.01 0.91 -0.06 0.82 -2.27 0.00 0.00 179.45 178.86 1xoz h ILE 715 N 0.87 1.27 -0.32 2.00 2.04 -0.97 -2.18 117.51 120.22 1xoz h ILE 715 Ca 0.18 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1xoz h ILE 715 Cb 0.40 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1xoz h ILE 715 CO 0.01 0.39 0.18 0.40 0.00 0.00 0.00 178.15 179.13 1xoz h ILE 716 N 0.65 1.02 -0.25 -0.67 2.04 -0.89 -0.23 117.51 119.17 1xoz h ILE 716 Ca 0.12 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1xoz h ILE 716 Cb 0.58 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1xoz h ILE 716 CO 0.03 0.07 0.10 0.50 0.00 0.00 0.00 178.15 178.85 1xoz h LYS 717 N 0.36 0.21 -0.84 2.37 3.64 -1.16 -0.49 116.57 120.66 1xoz h LYS 717 Ca 0.13 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1xoz h LYS 717 Cb 0.02 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1xoz h LYS 717 CO -0.07 0.14 0.39 1.96 -2.27 0.00 0.00 179.45 179.60 1xoz h GLN 718 N 0.22 1.23 -0.39 1.90 4.20 -1.08 -0.92 115.11 120.27 1xoz h GLN 718 Ca 0.11 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1xoz h GLN 718 Cb 0.07 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1xoz h GLN 718 CO -0.11 0.95 0.17 0.00 -0.67 0.00 0.00 178.83 179.18 1xoz h ALA 719 N 1.21 0.50 -0.13 3.87 0.00 -0.66 -0.68 119.26 123.37 1xoz h ALA 719 Ca 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1xoz h ALA 719 Cb 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xoz h ALA 719 CO -0.03 0.08 -0.09 0.82 0.00 0.00 0.00 179.25 180.03 1xoz h ILE 720 N 0.48 1.33 -0.49 0.00 2.04 -0.91 -2.94 117.51 117.01 1xoz h ILE 720 Ca 0.13 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1xoz h ILE 720 Cb 0.15 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1xoz h ILE 720 CO -0.01 0.34 0.33 -0.07 0.00 0.00 0.00 178.15 178.73 1xoz h LEU 721 N -0.06 0.44 -2.58 1.44 3.38 -1.10 -1.76 115.31 115.08 1xoz h LEU 721 Ca 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xoz h LEU 721 Cb 0.58 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xoz h LEU 721 CO 0.02 0.30 -0.01 0.00 0.09 0.00 0.00 178.44 178.84 1xoz h ALA 722 N 1.72 1.29 0.00 1.53 0.00 -0.93 -1.50 119.26 121.37 1xoz h ALA 722 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xoz h ALA 722 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xoz h ALA 722 CO -0.05 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.46 1xoz n THR 723 N -3.52 0.28 -2.22 0.00 -2.24 -0.66 -4.36 114.28 101.55 1xoz n THR 723 Ca -0.03 0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1xoz n THR 723 Cb 0.10 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 1xoz n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xoz s ASP 724 N -2.50 6.52 0.56 3.42 3.68 -0.57 -4.88 116.67 122.89 1xoz s ASP 724 Ca 0.22 1.53 0.24 0.00 2.13 0.00 0.00 52.55 56.68 1xoz s ASP 724 Cb 0.15 -2.53 1.53 0.00 -1.45 0.00 0.00 42.92 40.61 1xoz s ASP 724 CO 0.33 -1.16 2.14 -0.07 0.13 0.00 0.00 175.17 176.54 1xoz h LEU 725 N 11.25 0.00 -1.32 -1.34 3.38 -1.90 0.21 115.31 125.60 1xoz h LEU 725 Ca -0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1xoz h LEU 725 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1xoz h LEU 725 CO 1.01 0.00 0.18 0.00 0.09 0.00 0.00 178.44 179.72 1xoz h ALA 726 N 1.90 1.46 -0.10 1.53 0.00 -1.93 -1.00 119.26 121.12 1xoz h ALA 726 Ca 0.06 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1xoz h ALA 726 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xoz h ALA 726 CO -0.00 0.41 -0.71 -0.07 0.00 0.00 0.00 179.25 178.88 1xoz h LEU 727 N 0.65 0.56 -0.37 0.00 3.38 -1.27 -1.82 115.31 116.43 1xoz h LEU 727 Ca 0.16 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xoz h LEU 727 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1xoz h LEU 727 CO -0.02 1.10 0.24 0.22 0.09 0.00 0.00 178.44 180.07 1xoz h TYR 728 N 0.33 0.45 -0.73 1.13 3.20 -1.14 -1.36 116.97 118.85 1xoz h TYR 728 Ca -0.03 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1xoz h TYR 728 Cb 1.28 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 1xoz h TYR 728 CO 0.05 0.28 0.21 0.82 -1.64 0.00 0.00 178.16 177.88 1xoz h ILE 729 N 0.49 1.26 -0.49 1.81 2.04 -1.12 -0.74 117.51 120.76 1xoz h ILE 729 Ca 0.14 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 1xoz h ILE 729 Cb -0.04 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1xoz h ILE 729 CO -0.04 0.36 -0.06 0.50 0.00 0.00 0.00 178.15 178.92 1xoz h LYS 730 N 1.09 0.86 0.00 2.37 3.64 -1.05 -3.33 116.57 120.16 1xoz h LYS 730 Ca 0.23 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xoz h LYS 730 Cb 0.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1xoz h LYS 730 CO -0.00 0.90 -1.43 0.54 -2.27 0.00 0.00 179.45 177.18 1xoz n ARG 731 N -4.18 0.48 0.17 1.90 1.74 -0.54 -4.54 116.66 111.69 1xoz n ARG 731 Ca 0.02 -0.09 0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1xoz n ARG 731 Cb 0.35 -1.47 0.31 0.00 -1.02 0.00 0.00 32.46 30.62 1xoz n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1xoz h ARG 732 N 0.00 0.00 -0.88 5.56 0.11 -1.24 -2.77 114.38 115.15 1xoz h ARG 732 Ca 0.00 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.12 1xoz h ARG 732 Cb 0.70 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.73 1xoz h ARG 732 CO 0.00 0.45 0.56 0.78 0.10 0.00 0.00 179.97 181.85 1xoz h GLY 733 N 1.53 1.29 0.98 0.08 0.00 -1.80 -0.46 103.07 104.69 1xoz h GLY 733 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1xoz h GLY 733 CO 0.06 0.34 0.13 -2.09 0.00 0.00 0.00 176.54 174.97 1xoz h GLU 734 N 1.06 0.82 0.09 4.80 4.81 -1.80 -0.24 114.58 124.12 1xoz h GLU 734 Ca 0.36 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xoz h GLU 734 Cb 0.06 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1xoz h GLU 734 CO -0.14 0.78 -0.04 0.35 -0.73 0.00 0.00 179.01 179.23 1xoz h PHE 735 N 0.71 -0.11 -0.81 0.92 3.57 -1.36 -0.95 116.94 118.90 1xoz h PHE 735 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1xoz h PHE 735 Cb 0.33 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1xoz h PHE 735 CO 0.02 -0.07 0.43 0.74 -2.23 0.00 0.00 178.31 177.20 1xoz h PHE 736 N -0.13 1.14 -0.45 0.41 0.05 -1.00 -2.30 116.94 114.66 1xoz h PHE 736 Ca -0.01 -0.04 -0.10 0.00 3.82 0.00 0.00 57.97 61.64 1xoz h PHE 736 Cb 0.10 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.67 1xoz h PHE 736 CO -0.07 0.81 -0.09 1.49 -0.18 0.00 0.00 178.31 180.26 1xoz h GLU 737 N 1.14 0.86 -0.38 1.51 4.57 -0.85 -0.40 114.58 121.03 1xoz h GLU 737 Ca 0.28 -0.32 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1xoz h GLU 737 Cb 0.06 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 1xoz h GLU 737 CO -0.04 0.96 0.12 -0.07 -1.18 0.00 0.00 179.01 178.80 1xoz h LEU 738 N 0.70 0.12 0.12 1.64 3.38 -0.91 -0.84 115.31 119.52 1xoz h LEU 738 Ca 0.12 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1xoz h LEU 738 Cb 0.62 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1xoz h LEU 738 CO 0.04 0.10 -0.06 0.40 0.09 0.00 0.00 178.44 179.02 1xoz h ILE 739 N 0.27 0.94 -0.41 1.22 1.08 -1.26 0.50 117.51 119.86 1xoz h ILE 739 Ca 0.17 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1xoz h ILE 739 Cb 0.16 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1xoz h ILE 739 CO -0.19 0.05 0.27 -0.09 -0.69 0.00 0.00 178.15 177.51 1xoz h ARG 740 N -0.25 0.41 -0.64 2.37 2.43 -0.74 -1.98 114.38 115.98 1xoz h ARG 740 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xoz h ARG 740 Cb 0.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1xoz h ARG 740 CO 0.03 0.27 0.00 1.63 -1.51 0.00 0.00 179.97 180.39 1xoz n LYS 741 N -4.48 2.90 -3.78 0.20 5.02 -0.35 -4.94 118.16 112.73 1xoz n LYS 741 Ca 0.04 -2.37 -0.26 0.00 -2.02 0.00 0.00 58.31 53.70 1xoz n LYS 741 Cb 0.17 -1.65 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 1xoz n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xoz n ASN 742 N 1.16 -4.04 -0.13 4.39 4.13 -0.75 -4.89 115.26 115.13 1xoz n ASN 742 Ca 0.22 -0.74 0.02 0.00 1.68 0.00 0.00 54.58 55.76 1xoz n ASN 742 Cb 0.66 -4.20 0.00 0.00 -1.54 0.00 0.00 39.78 34.70 1xoz n ASN 742 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xoz n GLN 743 N -4.62 1.88 -2.28 3.52 6.02 0.14 -5.03 117.38 117.02 1xoz n GLN 743 Ca -0.07 -0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 55.99 1xoz n GLN 743 Cb 0.58 -0.96 -0.03 0.00 1.02 0.00 0.00 30.24 30.85 1xoz n GLN 743 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1xoz s PHE 744 N -0.81 3.09 -0.26 1.08 5.36 -1.09 -4.94 117.98 120.41 1xoz s PHE 744 Ca 0.04 0.99 -0.01 0.00 -0.96 0.00 0.00 56.93 56.99 1xoz s PHE 744 Cb 0.04 -3.59 0.14 0.00 -0.34 0.00 0.00 43.02 39.26 1xoz s PHE 744 CO 0.11 -2.07 0.35 1.21 -1.46 0.00 0.00 175.22 173.36 1xoz s ASN 745 N 1.50 0.73 0.16 6.13 2.47 -1.26 -5.02 114.94 119.64 1xoz s ASN 745 Ca 0.62 -0.19 0.18 0.00 0.42 0.00 0.00 52.86 53.89 1xoz s ASN 745 Cb -0.31 0.89 0.78 0.00 -1.45 0.00 0.00 41.25 41.16 1xoz s ASN 745 CO 0.27 -0.34 1.54 0.18 -3.72 0.00 0.00 177.10 175.04 1xoz n LEU 746 N 5.34 0.37 0.23 3.21 4.77 -1.26 -2.24 117.00 127.42 1xoz n LEU 746 Ca -0.02 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 56.72 1xoz n LEU 746 Cb 0.49 -0.59 0.52 0.00 -2.33 0.00 0.00 43.42 41.51 1xoz n LEU 746 CO 0.03 -0.53 0.92 -0.33 -1.33 0.00 0.00 177.39 176.16 1xoz h GLU 747 N 0.00 0.00 -6.25 3.23 5.08 -1.97 -3.39 114.58 111.28 1xoz h GLU 747 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1xoz h GLU 747 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1xoz h GLU 747 CO 0.00 0.00 0.89 0.34 -1.00 0.00 0.00 179.01 179.24 1xoz s ASP 748 N -5.51 6.88 0.40 1.42 -1.08 -0.95 -4.94 116.67 112.89 1xoz s ASP 748 Ca 0.04 1.31 0.11 0.00 -0.52 0.00 0.00 52.55 53.49 1xoz s ASP 748 Cb 0.08 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.93 1xoz s ASP 748 CO 0.55 -0.88 1.94 -0.65 0.52 0.00 0.00 175.17 176.65 1xoz h PRO 749 N 8.39 0.53 -0.49 4.34 0.11 -1.88 -0.87 132.00 142.13 1xoz h PRO 749 Ca -0.23 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.71 1xoz h PRO 749 Cb 1.08 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1xoz h PRO 749 CO 1.01 0.35 -0.20 1.25 -0.21 0.00 0.00 178.00 180.20 1xoz h HIS 750 N 0.55 1.13 -0.08 0.65 -0.00 -1.94 -1.48 115.15 113.98 1xoz h HIS 750 Ca 0.34 -0.27 -0.13 0.00 -0.00 0.00 0.00 60.37 60.31 1xoz h HIS 750 Cb 0.58 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.71 1xoz h HIS 750 CO -0.00 1.09 -0.54 1.96 -0.00 0.00 0.00 177.93 180.44 1xoz h GLN 751 N 0.86 0.22 -0.16 5.26 4.20 -1.56 -1.78 115.11 122.15 1xoz h GLN 751 Ca 0.12 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1xoz h GLN 751 Cb 0.77 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1xoz h GLN 751 CO 0.06 0.71 0.07 -0.22 -0.67 0.00 0.00 178.83 178.79 1xoz h LYS 752 N 0.17 0.24 -0.68 1.46 1.63 -1.04 0.07 116.57 118.42 1xoz h LYS 752 Ca 0.00 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1xoz h LYS 752 Cb 1.02 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.55 1xoz h LYS 752 CO 0.08 0.29 0.39 1.49 -3.45 0.00 0.00 179.45 178.26 1xoz h GLU 753 N 0.13 0.70 -0.38 1.90 4.81 -1.09 -0.24 114.58 120.41 1xoz h GLU 753 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xoz h GLU 753 Cb 0.14 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1xoz h GLU 753 CO -0.01 0.47 0.25 1.25 -0.73 0.00 0.00 179.01 180.24 1xoz h LEU 754 N 0.73 0.44 -0.38 1.64 6.46 -1.12 -1.99 115.31 121.09 1xoz h LEU 754 Ca 0.30 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.06 1xoz h LEU 754 Cb 0.15 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1xoz h LEU 754 CO -0.17 0.33 0.20 0.15 -0.62 0.00 0.00 178.44 178.34 1xoz h PHE 755 N 0.51 0.38 -0.95 1.25 3.57 -0.51 -1.17 116.94 120.02 1xoz h PHE 755 Ca 0.14 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1xoz h PHE 755 Cb -0.04 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 1xoz h PHE 755 CO -0.05 0.21 0.61 -0.07 -2.23 0.00 0.00 178.31 176.79 1xoz h LEU 756 N 0.42 0.95 -0.49 0.59 3.38 -0.78 0.77 115.31 120.15 1xoz h LEU 756 Ca 0.15 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xoz h LEU 756 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xoz h LEU 756 CO -0.09 0.60 0.11 0.00 0.09 0.00 0.00 178.44 179.15 1xoz h ALA 757 N 1.49 0.65 -0.62 1.53 0.00 -0.84 -1.17 119.26 120.30 1xoz h ALA 757 Ca 0.41 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1xoz h ALA 757 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xoz h ALA 757 CO -0.16 0.36 0.11 0.52 0.00 0.00 0.00 179.25 180.08 1xoz h MET 758 N 0.68 1.01 -0.65 0.00 2.86 -0.44 -2.27 114.93 116.12 1xoz h MET 758 Ca 0.15 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1xoz h MET 758 Cb 0.35 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1xoz h MET 758 CO 0.00 0.92 0.15 1.25 1.06 0.00 0.00 176.91 180.30 1xoz h LEU 759 N 0.95 1.00 -0.32 1.22 5.85 -0.70 0.08 115.31 123.39 1xoz h LEU 759 Ca 0.19 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1xoz h LEU 759 Cb 0.40 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1xoz h LEU 759 CO 0.01 0.98 0.07 0.24 -0.34 0.00 0.00 178.44 179.40 1xoz h MET 760 N 0.97 0.18 -0.51 1.25 2.86 -0.98 -1.30 114.93 117.41 1xoz h MET 760 Ca 0.20 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1xoz h MET 760 Cb 0.37 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 1xoz h MET 760 CO 0.00 0.12 0.27 1.15 1.06 0.00 0.00 176.91 179.52 1xoz h THR 761 N 0.19 0.99 -0.86 2.22 2.02 -1.07 -0.32 112.91 116.08 1xoz h THR 761 Ca 0.15 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1xoz h THR 761 Cb 0.16 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 1xoz h THR 761 CO -0.19 0.10 0.54 0.00 0.37 0.00 0.00 175.52 176.34 1xoz h ALA 762 N 1.26 1.15 -0.28 6.16 0.00 -0.58 -0.26 119.26 126.71 1xoz h ALA 762 Ca 0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1xoz h ALA 762 Cb 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xoz h ALA 762 CO -0.13 0.34 -0.32 0.00 0.00 0.00 0.00 179.25 179.13 1xoz h ASP 764 N 0.45 0.86 -0.05 0.00 3.58 -0.59 -2.41 116.42 118.26 1xoz h ASP 764 Ca 0.04 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1xoz h ASP 764 Cb 0.90 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1xoz h ASP 764 CO 0.08 0.61 0.00 0.18 -2.88 0.00 0.00 179.24 177.23 1xoz n LEU 765 N -4.43 1.31 0.12 2.28 4.77 -0.15 -4.60 117.00 116.31 1xoz n LEU 765 Ca 0.09 -0.47 0.11 0.00 -0.03 0.00 0.00 56.01 55.71 1xoz n LEU 765 Cb 0.06 -0.02 0.48 0.00 -2.33 0.00 0.00 43.42 41.61 1xoz n LEU 765 CO 0.36 0.24 0.83 -1.54 -1.33 0.00 0.00 177.39 175.94 1xoz n SER 766 N 0.04 0.57 0.07 -1.43 3.41 -0.91 -1.50 113.62 113.87 1xoz n SER 766 Ca 0.19 0.67 0.17 0.00 -0.26 0.00 0.00 58.87 59.64 1xoz n SER 766 Cb 0.31 -0.78 0.69 0.00 -0.26 0.00 0.00 64.21 64.17 1xoz n SER 766 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xoz h ALA 767 N 2.21 2.35 0.00 7.33 0.00 -1.83 -1.15 119.26 128.18 1xoz h ALA 767 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xoz h ALA 767 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xoz h ALA 767 CO 0.00 -0.49 0.00 1.51 0.00 0.00 0.00 179.25 180.27 1xoz n ILE 768 N -4.38 0.91 0.93 0.00 0.13 -0.56 -2.25 119.36 114.13 1xoz n ILE 768 Ca 0.07 0.23 0.10 0.00 -1.10 0.00 0.00 62.75 62.04 1xoz n ILE 768 Cb 0.48 -0.99 -0.04 0.00 -0.84 0.00 0.00 39.64 38.25 1xoz n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1xoz n THR 769 N -1.44 0.00 -1.73 9.51 -2.24 -0.44 -4.17 114.28 113.78 1xoz n THR 769 Ca 0.04 -0.19 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1xoz n THR 769 Cb 0.15 1.16 0.05 0.00 -2.10 0.00 0.00 70.33 69.58 1xoz n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xoz s LYS 770 N -2.51 2.93 0.38 -0.78 -0.14 -0.96 -4.09 119.74 114.57 1xoz s LYS 770 Ca 0.14 0.71 -0.25 0.00 -1.36 0.00 0.00 55.97 55.21 1xoz s LYS 770 Cb 0.16 -2.01 -0.12 0.00 -1.68 0.00 0.00 37.83 34.18 1xoz s LYS 770 CO 0.63 -1.04 0.85 -2.30 -0.76 0.00 0.00 175.35 172.73 1xoz n PRO 771 N -3.06 1.06 -0.30 -1.68 -0.02 -1.26 -4.40 135.00 125.34 1xoz n PRO 771 Ca 0.07 0.38 0.01 0.00 -2.02 0.00 0.00 63.50 61.94 1xoz n PRO 771 Cb 0.55 -1.79 0.08 0.00 -0.02 0.00 0.00 33.50 32.33 1xoz n PRO 771 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1xoz h TRP 772 N 1.41 -0.64 -0.72 6.00 2.91 -1.94 -0.05 115.95 122.91 1xoz h TRP 772 Ca -0.41 0.08 0.04 0.00 1.13 0.00 0.00 58.89 59.73 1xoz h TRP 772 Cb 1.36 0.41 -0.04 0.00 -0.51 0.00 0.00 29.16 30.38 1xoz h TRP 772 CO 0.42 -0.38 0.48 -1.35 -1.03 0.00 0.00 178.44 176.58 1xoz h PRO 773 N -0.03 0.82 -0.01 2.65 0.11 -1.99 0.74 132.00 134.30 1xoz h PRO 773 Ca 0.37 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 1xoz h PRO 773 Cb 0.61 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1xoz h PRO 773 CO -0.88 0.54 -0.00 0.82 -0.21 0.00 0.00 178.00 178.27 1xoz h ILE 774 N 0.85 1.35 -0.78 4.15 2.04 -1.38 -2.65 117.51 121.08 1xoz h ILE 774 Ca 0.30 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1xoz h ILE 774 Cb 0.11 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1xoz h ILE 774 CO -0.09 0.27 0.37 -0.61 0.00 0.00 0.00 178.15 178.09 1xoz h GLN 775 N -0.42 1.12 -0.53 2.37 5.75 -0.82 -1.60 115.11 120.98 1xoz h GLN 775 Ca 0.00 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1xoz h GLN 775 Cb 0.44 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1xoz h GLN 775 CO 0.00 0.87 0.25 0.37 -2.65 0.00 0.00 178.83 177.67 1xoz h GLN 776 N 1.11 0.77 -0.51 1.69 4.15 -0.89 0.13 115.11 121.57 1xoz h GLN 776 Ca 0.27 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 1xoz h GLN 776 Cb 0.12 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1xoz h GLN 776 CO -0.03 0.65 0.03 -0.09 -1.93 0.00 0.00 178.83 177.46 1xoz h ARG 777 N 0.72 0.88 -0.43 1.69 2.43 -1.12 -2.14 114.38 116.41 1xoz h ARG 777 Ca 0.18 -0.26 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 1xoz h ARG 777 Cb 0.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1xoz h ARG 777 CO -0.02 0.89 -0.26 0.82 -1.51 0.00 0.00 179.97 179.89 1xoz h ILE 778 N 0.75 1.27 -0.30 1.20 2.04 -1.08 -2.81 117.51 118.58 1xoz h ILE 778 Ca 0.15 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1xoz h ILE 778 Cb 0.47 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1xoz h ILE 778 CO 0.02 0.48 0.16 0.00 0.00 0.00 0.00 178.15 178.81 1xoz h ALA 779 N 0.82 1.72 -0.46 1.87 0.00 -0.56 -0.92 119.26 121.73 1xoz h ALA 779 Ca 0.09 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1xoz h ALA 779 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1xoz h ALA 779 CO 0.07 0.24 -0.09 0.93 0.00 0.00 0.00 179.25 180.41 1xoz h GLU 780 N 0.42 0.81 -0.36 0.00 5.08 -1.14 -1.62 114.58 117.77 1xoz h GLU 780 Ca 0.11 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1xoz h GLU 780 Cb 0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xoz h GLU 780 CO -0.02 0.87 0.14 -0.07 -1.00 0.00 0.00 179.01 178.93 1xoz h LEU 781 N 0.74 0.50 -0.66 1.33 3.38 -1.00 -1.26 115.31 118.34 1xoz h LEU 781 Ca 0.13 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1xoz h LEU 781 Cb 0.57 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1xoz h LEU 781 CO 0.04 0.53 0.24 0.58 0.09 0.00 0.00 178.44 179.92 1xoz h VAL 782 N 0.44 1.24 -0.76 1.22 2.07 -1.19 -1.69 116.25 117.58 1xoz h VAL 782 Ca 0.12 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1xoz h VAL 782 Cb 0.19 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1xoz h VAL 782 CO -0.01 0.31 0.49 0.00 0.02 0.00 0.00 177.57 178.38 1xoz h ALA 783 N 1.10 0.98 -0.41 1.67 0.00 -1.17 0.99 119.26 122.42 1xoz h ALA 783 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xoz h ALA 783 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xoz h ALA 783 CO -0.01 0.32 0.27 1.15 0.00 0.00 0.00 179.25 180.98 1xoz h THR 784 N 0.98 1.09 -0.02 0.00 2.02 -0.80 0.11 112.91 116.29 1xoz h THR 784 Ca 0.29 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1xoz h THR 784 Cb -0.05 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1xoz h THR 784 CO -0.09 0.10 0.01 -0.08 0.37 0.00 0.00 175.52 175.83 1xoz h GLU 785 N 0.55 0.03 -0.76 6.66 4.81 -0.87 -1.58 114.58 123.42 1xoz h GLU 785 Ca 0.15 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1xoz h GLU 785 Cb -0.05 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1xoz h GLU 785 CO -0.04 0.14 0.29 0.74 -0.73 0.00 0.00 179.01 179.41 1xoz h PHE 786 N -0.09 1.16 -0.09 0.92 -1.00 -0.64 -1.84 116.94 115.36 1xoz h PHE 786 Ca 0.01 -0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 1xoz h PHE 786 Cb 0.12 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 1xoz h PHE 786 CO -0.03 0.89 -0.36 0.74 -1.61 0.00 0.00 178.31 177.93 1xoz h PHE 787 N 1.10 0.20 -0.37 -0.55 0.04 -0.72 -1.56 116.94 115.09 1xoz h PHE 787 Ca 0.25 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1xoz h PHE 787 Cb 0.23 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1xoz h PHE 787 CO 0.02 0.52 0.19 0.22 -0.60 0.00 0.00 178.31 178.66 1xoz h ASP 788 N 0.15 0.47 -0.62 2.17 1.82 -0.87 -1.31 116.42 118.23 1xoz h ASP 788 Ca 0.02 -0.11 0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1xoz h ASP 788 Cb 0.72 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 1xoz h ASP 788 CO 0.05 0.45 0.38 -0.61 -1.61 0.00 0.00 179.24 177.90 1xoz h GLN 789 N 0.46 0.72 -0.75 0.28 4.15 -0.83 -2.09 115.11 117.06 1xoz h GLN 789 Ca 0.13 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1xoz h GLN 789 Cb 0.09 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1xoz h GLN 789 CO -0.02 0.48 0.49 0.78 -1.93 0.00 0.00 178.83 178.63 1xoz h GLY 790 N 0.74 1.06 1.01 2.39 0.00 -0.94 0.50 103.07 107.83 1xoz h GLY 790 Ca 0.25 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1xoz h GLY 790 CO -0.11 0.39 0.52 -0.55 0.00 0.00 0.00 176.54 176.80 1xoz h ASP 791 N 1.02 0.97 -0.11 0.19 3.32 -0.64 -1.75 116.42 119.42 1xoz h ASP 791 Ca 0.27 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1xoz h ASP 791 Cb -0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1xoz h ASP 791 CO -0.06 0.73 -0.25 0.03 -1.72 0.00 0.00 179.24 177.97 1xoz h ARG 792 N 1.12 0.55 -0.62 3.56 3.08 -0.63 -2.41 114.38 119.04 1xoz h ARG 792 Ca 0.30 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1xoz h ARG 792 Cb -0.08 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1xoz h ARG 792 CO -0.06 0.76 0.13 0.93 -1.07 0.00 0.00 179.97 180.65 1xoz h GLU 793 N 0.49 0.99 -0.55 0.04 5.08 -0.48 0.14 114.58 120.28 1xoz h GLU 793 Ca 0.07 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1xoz h GLU 793 Cb 0.69 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1xoz h GLU 793 CO 0.05 0.89 0.28 0.00 -1.00 0.00 0.00 179.01 179.23 1xoz h ARG 794 N 0.94 0.79 0.01 2.33 3.08 -1.09 -0.80 114.38 119.64 1xoz h ARG 794 Ca 0.20 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 1xoz h ARG 794 Cb 0.37 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xoz h ARG 794 CO 0.00 0.63 -0.57 0.87 -1.07 0.00 0.00 179.97 179.84 1xoz h LYS 795 N 0.75 0.36 0.02 0.04 1.57 -1.14 -2.38 116.57 115.78 1xoz h LYS 795 Ca 0.19 -0.41 -0.28 0.00 -1.87 0.00 0.00 60.65 58.29 1xoz h LYS 795 Cb 0.09 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1xoz h LYS 795 CO -0.03 1.09 -1.54 0.93 -0.57 0.00 0.00 179.45 179.33 1xoz h GLU 796 N -0.20 0.04 0.00 3.15 5.08 -0.77 -3.38 114.58 118.50 1xoz h GLU 796 Ca -0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1xoz h GLU 796 Cb 1.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1xoz h GLU 796 CO 0.11 0.71 -0.51 1.28 -1.00 0.00 0.00 179.01 179.60 1xoz n LEU 797 N -3.18 0.30 -3.77 1.33 4.77 -0.38 -5.02 117.00 111.05 1xoz n LEU 797 Ca -0.14 -0.42 -0.27 0.00 -0.03 0.00 0.00 56.01 55.15 1xoz n LEU 797 Cb 1.02 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.17 1xoz n LEU 797 CO 0.46 0.07 0.17 0.59 -1.33 0.00 0.00 177.39 177.36 1xoz n ASN 798 N -1.27 -5.58 -4.28 -1.43 3.02 -0.75 -4.99 115.26 99.98 1xoz n ASN 798 Ca 0.01 -0.67 -0.20 0.00 -0.03 0.00 0.00 54.58 53.69 1xoz n ASN 798 Cb 0.13 -4.42 -0.11 0.00 -0.61 0.00 0.00 39.78 34.77 1xoz n ASN 798 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1xoz s ILE 799 N -3.31 1.58 0.09 2.41 -4.36 -1.20 -5.00 121.20 111.40 1xoz s ILE 799 Ca 0.63 -1.79 -0.30 0.00 -0.26 0.00 0.00 60.65 58.93 1xoz s ILE 799 Cb -0.30 -1.67 -0.06 0.00 1.25 0.00 0.00 42.46 41.68 1xoz s ILE 799 CO 0.78 -0.34 1.12 -0.70 0.24 0.00 0.00 174.94 176.04 1xoz s GLU 800 N -2.65 4.51 0.75 0.37 2.12 -1.26 -3.58 118.70 118.95 1xoz s GLU 800 Ca 0.12 1.68 -0.13 0.00 0.36 0.00 0.00 54.97 56.99 1xoz s GLU 800 Cb -0.06 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 31.03 1xoz s GLU 800 CO 0.05 -0.10 1.13 -2.14 -0.54 0.00 0.00 175.26 173.65 1xoz s PRO 801 N 0.59 2.24 0.89 4.30 0.02 -1.26 -5.01 135.00 136.77 1xoz s PRO 801 Ca 0.54 1.41 -0.10 0.00 0.02 0.00 0.00 61.00 62.87 1xoz s PRO 801 Cb -0.28 -1.88 0.13 0.00 0.02 0.00 0.00 34.50 32.50 1xoz s PRO 801 CO 0.31 -1.69 1.13 0.95 -0.33 0.00 0.00 177.00 177.37 1xoz s THR 802 N -2.51 2.38 0.28 0.99 -4.23 -1.26 -4.69 115.64 106.60 1xoz s THR 802 Ca 0.66 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1xoz s THR 802 Cb -0.21 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.63 1xoz s THR 802 CO 0.49 -0.16 1.82 0.44 -0.54 0.00 0.00 174.62 176.67 1xoz h ASP 803 N -1.73 0.86 -0.37 3.99 3.32 -1.95 -0.84 116.42 119.71 1xoz h ASP 803 Ca -0.44 0.06 0.11 0.00 0.02 0.00 0.00 57.03 56.77 1xoz h ASP 803 Cb 1.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1xoz h ASP 803 CO 0.45 0.44 0.29 0.25 -1.72 0.00 0.00 179.24 178.95 1xoz h LEU 804 N 0.93 0.00 -2.93 1.55 5.85 -1.94 -2.13 115.31 116.63 1xoz h LEU 804 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1xoz h LEU 804 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1xoz h LEU 804 CO -0.28 0.00 0.00 0.23 -0.34 0.00 0.00 178.44 178.05 1xoz n MET 805 N -4.26 2.88 -3.50 1.25 2.81 -0.38 -4.65 117.12 111.26 1xoz n MET 805 Ca 0.06 -2.10 -0.42 0.00 -1.81 0.00 0.00 57.70 53.43 1xoz n MET 805 Cb 0.47 -1.31 -0.07 0.00 -0.71 0.00 0.00 33.22 31.59 1xoz n MET 805 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1xoz s ASN 806 N -1.11 5.88 0.50 7.83 3.84 -0.80 -3.44 114.94 127.64 1xoz s ASN 806 Ca 0.23 -2.14 0.19 0.00 0.21 0.00 0.00 52.86 51.35 1xoz s ASN 806 Cb 0.14 -2.05 1.26 0.00 -0.55 0.00 0.00 41.25 40.05 1xoz s ASN 806 CO 0.14 -0.66 2.05 0.08 -2.79 0.00 0.00 177.10 175.92 1xoz h ARG 807 N 8.23 0.09 0.00 0.43 0.11 -1.85 -0.50 114.38 120.88 1xoz h ARG 807 Ca -0.15 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 1xoz h ARG 807 Cb 1.06 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 1xoz h ARG 807 CO 0.85 0.06 -0.08 1.49 0.10 0.00 0.00 179.97 182.40 1xoz h GLU 808 N 0.09 0.00 -0.55 0.08 4.81 -1.96 -2.27 114.58 114.79 1xoz h GLU 808 Ca 0.16 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.06 1xoz h GLU 808 Cb 0.51 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.69 1xoz h GLU 808 CO -0.02 0.08 -0.01 1.63 -0.73 0.00 0.00 179.01 179.96 1xoz n LYS 809 N -3.78 2.23 0.18 1.92 5.02 -0.21 -4.75 118.16 118.77 1xoz n LYS 809 Ca -0.02 -3.34 0.13 0.00 -2.02 0.00 0.00 58.31 53.06 1xoz n LYS 809 Cb 0.18 -1.98 0.65 0.00 -0.02 0.00 0.00 35.03 33.87 1xoz n LYS 809 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1xoz h LYS 810 N 1.29 0.00 -0.03 1.97 3.64 -1.32 -0.27 116.57 121.84 1xoz h LYS 810 Ca 0.33 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1xoz h LYS 810 Cb 1.67 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1xoz h LYS 810 CO 0.66 0.00 0.09 -2.95 -2.27 0.00 0.00 179.45 174.98 1xoz h ASN 811 N 0.00 0.00 0.48 4.20 7.08 -1.86 -2.32 115.58 123.16 1xoz h ASN 811 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1xoz h ASN 811 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 1xoz h ASN 811 CO 0.00 0.00 -0.01 0.29 -2.08 0.00 0.00 177.43 175.63 1xoz n LYS 812 N -3.29 0.52 0.16 4.14 4.76 -0.11 -4.38 118.16 119.95 1xoz n LYS 812 Ca -0.02 -0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.26 1xoz n LYS 812 Cb 0.17 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.79 1xoz n LYS 812 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1xoz h ILE 813 N 0.04 0.22 -0.58 -0.18 2.04 -1.62 -1.32 117.51 116.10 1xoz h ILE 813 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1xoz h ILE 813 Cb 0.25 0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 36.47 1xoz h ILE 813 CO 0.00 0.00 0.13 -0.65 0.00 0.00 0.00 178.15 177.63 1xoz h PRO 814 N -0.67 0.26 -0.38 2.37 0.11 -1.85 0.35 132.00 132.19 1xoz h PRO 814 Ca 0.01 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1xoz h PRO 814 Cb 0.66 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1xoz h PRO 814 CO -0.17 0.17 -0.08 0.66 -0.21 0.00 0.00 178.00 178.37 1xoz h SER 815 N 0.26 0.61 -0.28 -2.05 4.64 -1.80 -1.43 113.55 113.51 1xoz h SER 815 Ca 0.30 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1xoz h SER 815 Cb 0.43 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1xoz h SER 815 CO -0.38 0.74 -0.30 0.24 -0.87 0.00 0.00 176.83 176.26 1xoz h MET 816 N 0.59 0.79 -0.20 4.77 2.86 -0.54 -1.39 114.93 121.80 1xoz h MET 816 Ca 0.11 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1xoz h MET 816 Cb 0.49 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1xoz h MET 816 CO 0.03 0.98 0.06 1.96 1.06 0.00 0.00 176.91 181.00 1xoz h GLN 817 N 0.67 0.31 -0.53 1.72 1.08 -0.60 -0.41 115.11 117.35 1xoz h GLN 817 Ca 0.08 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1xoz h GLN 817 Cb 0.83 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 1xoz h GLN 817 CO 0.07 0.41 0.29 0.28 -0.95 0.00 0.00 178.83 178.93 1xoz h VAL 818 N 0.15 1.00 -0.88 -0.54 2.07 -1.21 -0.54 116.25 116.30 1xoz h VAL 818 Ca 0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1xoz h VAL 818 Cb 0.23 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1xoz h VAL 818 CO -0.00 0.10 0.52 1.23 0.02 0.00 0.00 177.57 179.44 1xoz h GLY 819 N 0.57 1.28 0.88 2.17 0.00 -1.06 -0.46 103.07 106.45 1xoz h GLY 819 Ca 0.22 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1xoz h GLY 819 CO -0.13 0.53 0.02 -2.75 0.00 0.00 0.00 176.54 174.20 1xoz h PHE 820 N 1.21 0.56 -0.22 5.60 3.57 -0.69 -0.57 116.94 126.40 1xoz h PHE 820 Ca 0.31 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1xoz h PHE 820 Cb -0.03 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1xoz h PHE 820 CO 0.00 0.63 0.14 0.82 -2.23 0.00 0.00 178.31 177.68 1xoz h ILE 821 N 0.32 1.06 -0.44 1.41 2.04 -0.77 -0.83 117.51 120.29 1xoz h ILE 821 Ca 0.09 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1xoz h ILE 821 Cb 0.40 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1xoz h ILE 821 CO 0.01 0.06 -0.07 0.44 0.00 0.00 0.00 178.15 178.58 1xoz h ASP 822 N 0.29 0.82 0.66 1.72 3.32 -1.03 -1.02 116.42 121.18 1xoz h ASP 822 Ca 0.08 -0.35 -0.27 0.00 0.02 0.00 0.00 57.03 56.51 1xoz h ASP 822 Cb -0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1xoz h ASP 822 CO -0.02 0.98 -1.25 0.00 -1.72 0.00 0.00 179.24 177.23 1xoz h ALA 823 N 0.87 0.15 0.00 3.45 0.00 -0.97 -3.42 119.26 119.35 1xoz h ALA 823 Ca 0.11 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 1xoz h ALA 823 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xoz h ALA 823 CO 0.04 1.03 -1.31 -0.89 0.00 0.00 0.00 179.25 178.12 1xoz n ILE 824 N -3.50 0.31 -0.09 0.00 2.08 -0.33 -4.93 119.36 112.90 1xoz n ILE 824 Ca -0.08 -0.11 -0.22 0.00 0.56 0.00 0.00 62.75 62.90 1xoz n ILE 824 Cb 1.02 -0.91 -0.12 0.00 -0.75 0.00 0.00 39.64 38.88 1xoz n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xoz h LEU 826 N -0.89 0.23 -1.32 0.00 4.07 -1.45 -1.78 115.31 114.17 1xoz h LEU 826 Ca -0.37 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.58 1xoz h LEU 826 Cb 1.39 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 1xoz h LEU 826 CO -0.19 0.17 -0.05 1.56 -1.08 0.00 0.00 178.44 178.85 1xoz h GLN 827 N 0.38 0.39 -0.09 1.13 4.20 -1.82 -0.34 115.11 118.96 1xoz h GLN 827 Ca 0.21 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1xoz h GLN 827 Cb 0.17 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1xoz h GLN 827 CO -0.19 0.46 -0.05 1.25 -0.67 0.00 0.00 178.83 179.64 1xoz h LEU 828 N 0.37 0.21 -1.04 1.46 5.85 -1.50 -0.48 115.31 120.18 1xoz h LEU 828 Ca 0.08 -0.42 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 1xoz h LEU 828 Cb 0.34 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1xoz h LEU 828 CO 0.01 0.59 -0.39 1.88 -0.34 0.00 0.00 178.44 180.19 1xoz h TYR 829 N -0.17 0.19 -0.13 1.25 -1.99 -1.14 -0.02 116.97 114.95 1xoz h TYR 829 Ca 0.02 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1xoz h TYR 829 Cb 0.51 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 1xoz h TYR 829 CO 0.07 0.54 0.05 0.93 -0.00 0.00 0.00 178.16 179.75 1xoz h GLU 830 N 0.14 0.20 -0.82 4.88 5.08 -1.02 -1.88 114.58 121.16 1xoz h GLU 830 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1xoz h GLU 830 Cb 0.76 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1xoz h GLU 830 CO 0.06 0.30 0.39 0.00 -1.00 0.00 0.00 179.01 178.76 1xoz h ALA 831 N 0.88 1.05 -0.83 3.43 0.00 -0.62 -1.69 119.26 121.49 1xoz h ALA 831 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xoz h ALA 831 Cb 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1xoz h ALA 831 CO -0.00 0.62 0.44 1.25 0.00 0.00 0.00 179.25 181.56 1xoz h LEU 832 N 1.16 1.04 -1.13 0.00 5.85 -0.95 -1.85 115.31 119.43 1xoz h LEU 832 Ca 0.28 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1xoz h LEU 832 Cb 0.12 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1xoz h LEU 832 CO -0.03 0.84 -0.18 0.74 -0.34 0.00 0.00 178.44 179.46 1xoz h THR 833 N 1.16 1.23 -0.73 1.05 2.02 -0.92 -0.63 112.91 116.08 1xoz h THR 833 Ca 0.29 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1xoz h THR 833 Cb 0.04 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1xoz h THR 833 CO -0.05 0.34 0.41 0.45 0.37 0.00 0.00 175.52 177.04 1xoz h HIS 834 N 0.36 1.00 -0.42 3.16 3.86 -0.55 -2.47 115.15 120.09 1xoz h HIS 834 Ca 0.06 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 1xoz h HIS 834 Cb 0.53 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1xoz h HIS 834 CO 0.01 0.70 -0.16 0.28 0.86 0.00 0.00 177.93 179.63 1xoz h VAL 835 N 1.01 1.28 -2.54 2.45 2.07 -0.61 -3.42 116.25 116.49 1xoz h VAL 835 Ca 0.26 -1.28 -0.27 0.00 0.82 0.00 0.00 66.70 66.22 1xoz h VAL 835 Cb 0.03 1.23 -0.34 0.00 -1.52 0.00 0.00 31.29 30.69 1xoz h VAL 835 CO -0.04 0.43 -0.58 -0.55 0.02 0.00 0.00 177.57 176.84 1xoz s SER 836 N -6.51 0.96 0.57 0.57 0.15 -0.32 -5.03 113.70 104.09 1xoz s SER 836 Ca -0.12 0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.84 1xoz s SER 836 Cb 0.11 0.55 1.63 0.00 -1.71 0.00 0.00 66.02 66.59 1xoz s SER 836 CO 0.84 -0.30 2.17 1.05 1.20 0.00 0.00 173.24 178.20 1xoz h GLU 837 N 8.29 0.00 0.00 5.44 4.11 -1.71 -0.88 114.58 129.84 1xoz h GLU 837 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1xoz h GLU 837 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1xoz h GLU 837 CO 0.24 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.07 1xoz n ASP 838 N -4.02 0.00 -0.25 3.06 8.00 -1.26 -1.36 116.55 120.72 1xoz n ASP 838 Ca -0.01 0.21 0.15 0.00 0.71 0.00 0.00 54.79 55.85 1xoz n ASP 838 Cb 0.19 -0.36 0.71 0.00 -0.02 0.00 0.00 41.12 41.64 1xoz n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xoz h PHE 840 N 1.23 0.98 -0.47 0.00 3.57 -1.39 -2.11 116.94 118.75 1xoz h PHE 840 Ca 0.00 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.67 1xoz h PHE 840 Cb 0.28 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1xoz h PHE 840 CO 0.00 0.01 0.39 -1.35 -2.23 0.00 0.00 178.31 175.13 1xoz h PRO 841 N 0.52 0.00 -0.24 6.41 0.11 -1.85 -0.57 132.00 136.38 1xoz h PRO 841 Ca 0.66 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.74 1xoz h PRO 841 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1xoz h PRO 841 CO -0.50 0.00 0.04 -0.07 -0.21 0.00 0.00 178.00 177.26 1xoz h LEU 842 N 0.00 0.38 -0.37 2.35 3.38 -1.73 -0.65 115.31 118.68 1xoz h LEU 842 Ca 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1xoz h LEU 842 Cb 1.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1xoz h LEU 842 CO -0.00 0.54 0.07 0.25 0.09 0.00 0.00 178.44 179.39 1xoz h LEU 843 N 0.21 0.57 -0.62 1.67 5.85 -1.31 -1.26 115.31 120.42 1xoz h LEU 843 Ca 0.07 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1xoz h LEU 843 Cb 0.32 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1xoz h LEU 843 CO 0.00 0.67 0.38 -0.78 -0.34 0.00 0.00 178.44 178.38 1xoz h ASP 844 N 0.44 0.64 -0.40 1.25 3.58 -1.11 -0.35 116.42 120.48 1xoz h ASP 844 Ca 0.11 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 1xoz h ASP 844 Cb 0.33 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 1xoz h ASP 844 CO 0.00 0.45 -0.16 1.23 -2.88 0.00 0.00 179.24 177.88 1xoz h GLY 845 N 0.76 0.95 0.96 -0.78 0.00 -1.00 -1.87 103.07 102.10 1xoz h GLY 845 Ca 0.24 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1xoz h GLY 845 CO -0.09 0.71 0.16 0.00 0.00 0.00 0.00 176.54 177.32 1xoz h ARG 847 N 0.35 1.20 -0.58 0.00 3.08 -0.89 -1.05 114.38 116.49 1xoz h ARG 847 Ca 0.10 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1xoz h ARG 847 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1xoz h ARG 847 CO -0.02 0.87 0.08 0.87 -1.07 0.00 0.00 179.97 180.70 1xoz h LYS 848 N 1.21 0.98 -0.32 0.04 1.57 -1.03 -2.17 116.57 116.85 1xoz h LYS 848 Ca 0.31 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1xoz h LYS 848 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1xoz h LYS 848 CO -0.05 0.94 -0.15 -0.91 -0.57 0.00 0.00 179.45 178.70 1xoz h ASN 849 N 0.88 0.56 -0.47 0.86 2.35 -0.97 -2.13 115.58 116.65 1xoz h ASN 849 Ca 0.18 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1xoz h ASN 849 Cb 0.44 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1xoz h ASN 849 CO 0.01 0.74 0.28 -0.09 -1.65 0.00 0.00 177.43 176.72 1xoz h ARG 850 N 0.52 0.54 -0.63 0.81 2.43 -0.84 -0.46 114.38 116.75 1xoz h ARG 850 Ca 0.09 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1xoz h ARG 850 Cb 0.57 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1xoz h ARG 850 CO 0.04 0.36 0.31 1.96 -1.51 0.00 0.00 179.97 181.12 1xoz h GLN 851 N 0.56 0.90 -0.28 0.20 4.20 -1.01 0.19 115.11 119.87 1xoz h GLN 851 Ca 0.19 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1xoz h GLN 851 Cb 0.02 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1xoz h GLN 851 CO -0.09 0.72 -0.13 0.87 -0.67 0.00 0.00 178.83 179.53 1xoz h LYS 852 N 0.86 0.58 -0.60 1.46 1.79 -1.03 -1.44 116.57 118.20 1xoz h LYS 852 Ca 0.22 -0.25 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1xoz h LYS 852 Cb 0.11 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1xoz h LYS 852 CO -0.03 0.82 -0.01 -1.49 -1.08 0.00 0.00 179.45 177.66 1xoz h TRP 853 N 0.32 1.16 -0.18 -1.35 4.06 -0.93 -2.70 115.95 116.33 1xoz h TRP 853 Ca 0.06 -0.20 -0.06 0.00 2.06 0.00 0.00 58.89 60.75 1xoz h TRP 853 Cb 0.64 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1xoz h TRP 853 CO 0.06 1.02 -0.17 0.37 -3.56 0.00 0.00 178.44 176.16 1xoz h GLN 854 N 0.97 0.30 -0.21 0.49 5.75 -0.83 -0.02 115.11 121.55 1xoz h GLN 854 Ca 0.17 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1xoz h GLN 854 Cb 0.57 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1xoz h GLN 854 CO 0.03 0.47 -0.04 0.00 -2.65 0.00 0.00 178.83 176.65 1xoz h ALA 855 N 1.55 1.55 -0.03 3.38 0.00 -0.95 -1.18 119.26 123.58 1xoz h ALA 855 Ca 0.05 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1xoz h ALA 855 Cb 0.47 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xoz h ALA 855 CO 0.03 0.33 -1.00 -0.07 0.00 0.00 0.00 179.25 178.54 1xoz h LEU 856 N 0.31 0.93 -0.77 0.00 3.38 -1.08 -3.33 115.31 114.74 1xoz h LEU 856 Ca 0.07 -0.72 -0.13 0.00 0.09 0.00 0.00 57.88 57.19 1xoz h LEU 856 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xoz h LEU 856 CO 0.01 1.52 -0.52 0.00 0.09 0.00 0.00 178.44 179.54 1xoz h ALA 857 N 0.43 0.96 -0.01 1.53 0.00 -0.54 -3.50 119.26 118.12 1xoz h ALA 857 Ca -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xoz h ALA 857 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1xoz h ALA 857 CO 0.20 0.67 0.00 -1.91 0.00 0.00 0.00 179.25 178.21