#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxc s GLN 544 N 0.00 0.38 -0.06 -4.13 2.00 -0.71 -5.00 119.66 112.15 3dxc s GLN 544 Ca 0.00 0.58 -0.01 0.00 -2.00 0.00 0.00 55.36 53.94 3dxc s GLN 544 Cb 0.00 0.10 -0.03 0.00 0.80 0.00 0.00 33.01 33.87 3dxc s GLN 544 CO 0.00 -0.10 0.00 0.08 -0.50 0.00 0.00 175.29 174.78 3dxc s VAL 545 N 0.67 4.28 -0.11 1.34 1.01 -1.25 -0.41 120.40 125.93 3dxc s VAL 545 Ca -0.04 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3dxc s VAL 545 Cb -0.05 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.50 3dxc s VAL 545 CO -0.04 0.52 -0.20 -0.31 0.00 0.00 0.00 175.10 175.07 3dxc s TYR 546 N -0.96 2.32 -0.13 5.22 1.51 0.89 -1.51 117.35 124.68 3dxc s TYR 546 Ca 0.16 -1.03 -0.29 0.00 -1.01 0.00 0.00 57.07 54.89 3dxc s TYR 546 Cb -0.11 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 3dxc s TYR 546 CO 0.05 -0.46 1.22 -0.47 -1.11 0.00 0.00 175.55 174.78 3dxc s TYR 547 N 0.64 3.00 -0.73 2.71 5.04 0.16 -0.99 117.35 127.17 3dxc s TYR 547 Ca -0.13 1.11 0.24 0.00 -2.44 0.00 0.00 57.07 55.85 3dxc s TYR 547 Cb -0.16 -3.46 0.22 0.00 0.35 0.00 0.00 41.96 38.91 3dxc s TYR 547 CO 0.03 -1.47 1.19 1.28 -1.34 0.00 0.00 175.55 175.24 3dxc n LEU 548 N 6.12 0.63 0.00 6.97 4.77 0.11 -3.00 117.00 132.59 3dxc n LEU 548 Ca 0.13 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3dxc n LEU 548 Cb 0.45 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3dxc n LEU 548 CO 0.55 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3dxc n GLY 549 N 1.40 -0.80 3.01 -0.72 0.00 -1.22 -4.94 105.19 101.91 3dxc n GLY 549 Ca 0.03 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 3dxc n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxc s ASN 550 N -4.00 0.29 0.03 1.61 2.20 -1.26 -1.15 114.94 112.67 3dxc s ASN 550 Ca 0.00 -0.62 -0.02 0.00 -0.94 0.00 0.00 52.86 51.29 3dxc s ASN 550 Cb 0.00 0.13 -0.02 0.00 -2.00 0.00 0.00 41.25 39.36 3dxc s ASN 550 CO 0.00 -0.38 -0.00 0.68 -2.94 0.00 0.00 177.10 174.46 3dxc s VAL 551 N -2.09 0.15 0.46 3.54 -7.23 -0.39 -4.95 120.40 109.88 3dxc s VAL 551 Ca -0.10 -1.21 -0.23 0.00 -1.81 0.00 0.00 61.98 58.63 3dxc s VAL 551 Cb -0.05 -0.76 -0.07 0.00 0.56 0.00 0.00 36.38 36.05 3dxc s VAL 551 CO -0.03 -0.67 1.20 -2.84 -0.31 0.00 0.00 175.10 172.45 3dxc s PRO 552 N -2.41 3.74 0.17 4.82 0.02 -1.26 -0.22 135.00 139.87 3dxc s PRO 552 Ca -0.07 1.87 0.04 0.00 0.02 0.00 0.00 61.00 62.86 3dxc s PRO 552 Cb -0.03 -2.46 -0.05 0.00 0.02 0.00 0.00 34.50 31.99 3dxc s PRO 552 CO -0.04 -0.59 -0.05 0.14 -0.33 0.00 0.00 177.00 176.12 3dxc s VAL 553 N -1.47 1.02 -0.26 3.83 -7.23 -0.39 -4.81 120.40 111.08 3dxc s VAL 553 Ca 0.63 -2.03 0.21 0.00 -1.81 0.00 0.00 61.98 58.98 3dxc s VAL 553 Cb -0.31 -2.03 0.06 0.00 0.56 0.00 0.00 36.38 34.66 3dxc s VAL 553 CO 0.38 -0.59 1.16 0.00 -0.31 0.00 0.00 175.10 175.74 3dxc h ALA 554 N 2.69 0.64 -2.71 1.32 0.00 -1.97 -3.34 119.26 115.89 3dxc h ALA 554 Ca -0.37 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.07 3dxc h ALA 554 Cb 1.20 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 3dxc h ALA 554 CO 0.64 0.17 -0.73 0.15 0.00 0.00 0.00 179.25 179.47 3dxc s LYS 555 N -3.24 0.87 0.25 0.00 1.02 -1.26 -4.93 119.74 112.44 3dxc s LYS 555 Ca 0.01 -1.18 0.25 0.00 0.02 0.00 0.00 55.97 55.07 3dxc s LYS 555 Cb 0.08 -0.56 0.57 0.00 -0.52 0.00 0.00 37.83 37.40 3dxc s LYS 555 CO 0.76 0.09 1.61 -1.00 -0.92 0.00 0.00 175.35 175.89 3dxc h PRO 556 N 3.51 0.00 -4.64 -1.68 0.13 -1.96 -3.47 132.00 123.89 3dxc h PRO 556 Ca -0.37 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 3dxc h PRO 556 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3dxc h PRO 556 CO 0.53 0.00 -0.70 0.14 -0.23 0.00 0.00 178.00 177.75 3dxc s VAL 557 N -3.15 0.67 0.00 1.56 -7.23 -1.26 -3.88 120.40 107.11 3dxc s VAL 557 Ca 0.08 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 3dxc s VAL 557 Cb 0.11 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.39 3dxc s VAL 557 CO 0.65 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 3dxc n GLY 558 N -0.00 3.71 0.24 2.32 0.00 -1.26 -4.73 105.19 105.47 3dxc n GLY 558 Ca -0.12 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.13 3dxc n GLY 558 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dxc h VAL 559 N 0.00 1.10 -0.89 1.61 -1.51 -1.99 -1.52 116.25 113.05 3dxc h VAL 559 Ca 0.00 -0.47 -0.02 0.00 -1.23 0.00 0.00 66.70 64.98 3dxc h VAL 559 Cb 0.00 1.20 -0.04 0.00 -2.13 0.00 0.00 31.29 30.32 3dxc h VAL 559 CO 0.00 0.14 0.49 -2.24 -1.23 0.00 0.00 177.57 174.72 3dxc h ASP 560 N 0.05 1.11 0.13 4.19 2.03 -1.99 -1.16 116.42 120.79 3dxc h ASP 560 Ca 0.01 -0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.21 3dxc h ASP 560 Cb 0.23 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 3dxc h ASP 560 CO 0.02 0.89 -0.06 0.58 -1.03 0.00 0.00 179.24 179.64 3dxc h VAL 561 N 1.25 1.01 -0.22 4.15 2.07 -1.59 -1.24 116.25 121.67 3dxc h VAL 561 Ca 0.31 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3dxc h VAL 561 Cb 0.03 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3dxc h VAL 561 CO -0.05 0.14 -0.22 0.16 0.02 0.00 0.00 177.57 177.61 3dxc h ILE 562 N -0.44 1.25 -0.09 4.57 -0.00 -1.30 -1.47 117.51 120.03 3dxc h ILE 562 Ca -0.02 -1.15 -0.17 0.00 -0.00 0.00 0.00 64.86 63.52 3dxc h ILE 562 Cb 0.36 1.33 -0.01 0.00 -0.00 0.00 0.00 36.82 38.50 3dxc h ILE 562 CO 0.03 0.36 -0.68 0.78 -0.00 0.00 0.00 178.15 178.64 3dxc h ASN 563 N 0.35 0.46 -0.32 2.16 2.35 -1.20 0.11 115.58 119.48 3dxc h ASN 563 Ca 0.06 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3dxc h ASN 563 Cb 0.59 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 3dxc h ASN 563 CO 0.04 1.01 0.17 1.23 -1.65 0.00 0.00 177.43 178.23 3dxc h GLY 564 N 1.30 0.43 0.97 2.83 0.00 -0.96 -0.45 103.07 107.19 3dxc h GLY 564 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3dxc h GLY 564 CO 0.12 0.10 0.18 0.00 0.00 0.00 0.00 176.54 176.94 3dxc h ALA 565 N 1.15 0.66 -0.20 3.60 0.00 -0.97 -2.11 119.26 121.40 3dxc h ALA 565 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dxc h ALA 565 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dxc h ALA 565 CO -0.08 0.29 0.10 -0.07 0.00 0.00 0.00 179.25 179.50 3dxc h LEU 566 N 0.68 0.26 -0.87 0.00 3.38 -0.61 -1.64 115.31 116.50 3dxc h LEU 566 Ca 0.17 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3dxc h LEU 566 Cb 0.23 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3dxc h LEU 566 CO -0.01 0.29 0.55 -0.33 0.09 0.00 0.00 178.44 179.02 3dxc h GLU 567 N 0.20 0.97 -0.13 1.13 5.08 -1.00 0.81 114.58 121.64 3dxc h GLU 567 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3dxc h GLU 567 Cb 0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3dxc h GLU 567 CO -0.01 0.64 0.06 1.03 -1.00 0.00 0.00 179.01 179.73 3dxc h SER 568 N 1.00 0.18 -0.21 1.42 0.87 -1.09 -1.25 113.55 114.47 3dxc h SER 568 Ca 0.38 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.60 3dxc h SER 568 Cb 0.15 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3dxc h SER 568 CO -0.17 0.29 -0.55 1.62 -0.53 0.00 0.00 176.83 177.49 3dxc h VAL 569 N 0.07 1.28 -0.79 2.23 3.04 -1.04 -2.88 116.25 118.15 3dxc h VAL 569 Ca 0.04 -1.74 0.02 0.00 -1.01 0.00 0.00 66.70 64.01 3dxc h VAL 569 Cb 0.16 1.65 -0.04 0.00 -2.01 0.00 0.00 31.29 31.05 3dxc h VAL 569 CO -0.00 0.56 0.52 -0.07 -1.01 0.00 0.00 177.57 177.57 3dxc h LEU 570 N 0.62 0.88 -1.37 3.16 3.38 -0.81 -2.84 115.31 118.32 3dxc h LEU 570 Ca 0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3dxc h LEU 570 Cb 1.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3dxc h LEU 570 CO 0.12 0.62 -0.26 0.77 0.09 0.00 0.00 178.44 179.78 3dxc h SER 571 N 1.03 0.08 -0.46 -0.43 4.64 -1.02 -3.27 113.55 114.12 3dxc h SER 571 Ca 0.30 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3dxc h SER 571 Cb -0.04 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3dxc h SER 571 CO -0.08 0.34 0.00 -1.54 -0.87 0.00 0.00 176.83 174.69 3dxc n SER 572 N -4.20 4.23 -4.08 4.97 3.41 -1.08 -4.96 113.62 111.91 3dxc n SER 572 Ca -0.02 -2.59 -0.10 0.00 -0.26 0.00 0.00 58.87 55.90 3dxc n SER 572 Cb 0.33 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.69 3dxc n SER 572 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dxc s SER 573 N -1.24 0.15 0.26 4.04 1.04 -1.18 -5.08 113.70 111.69 3dxc s SER 573 Ca 0.43 -1.11 0.11 0.00 0.48 0.00 0.00 55.95 55.86 3dxc s SER 573 Cb 0.30 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.76 3dxc s SER 573 CO 0.17 -0.84 -0.14 -0.94 0.98 0.00 0.00 173.24 172.47 3dxc s SER 574 N -3.04 3.89 0.57 7.02 1.04 -1.26 -4.92 113.70 116.99 3dxc s SER 574 Ca 0.25 -0.86 0.26 0.00 0.48 0.00 0.00 55.95 56.07 3dxc s SER 574 Cb 0.05 -0.48 1.57 0.00 0.10 0.00 0.00 66.02 67.27 3dxc s SER 574 CO 0.04 0.05 2.13 0.03 0.98 0.00 0.00 173.24 176.47 3dxc h ARG 575 N 2.35 0.00 0.00 4.02 3.08 -1.98 -0.37 114.38 121.47 3dxc h ARG 575 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 3dxc h ARG 575 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3dxc h ARG 575 CO 0.58 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 180.40 3dxc h GLU 576 N 0.00 0.00 0.00 0.04 3.07 -2.06 -2.45 114.58 113.18 3dxc h GLU 576 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3dxc h GLU 576 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3dxc h GLU 576 CO -0.00 0.01 -0.32 1.96 -1.40 0.00 0.00 179.01 179.26 3dxc h GLN 577 N 0.00 0.00 -6.65 2.33 4.20 -1.47 -3.47 115.11 110.05 3dxc h GLN 577 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3dxc h GLN 577 Cb 0.50 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.30 3dxc h GLN 577 CO 0.00 0.00 0.62 -1.58 -0.67 0.00 0.00 178.83 177.21 3dxc s TRP 578 N -3.16 3.32 -0.48 2.96 0.51 -0.92 -4.97 118.94 116.19 3dxc s TRP 578 Ca 0.08 1.26 -0.24 0.00 -2.12 0.00 0.00 56.10 55.08 3dxc s TRP 578 Cb 0.12 -3.55 0.03 0.00 -0.81 0.00 0.00 33.47 29.26 3dxc s TRP 578 CO 0.67 -1.69 0.86 0.99 -0.51 0.00 0.00 176.95 177.27 3dxc s THR 579 N 0.22 4.53 0.23 2.01 2.01 -1.16 -4.93 115.64 118.54 3dxc s THR 579 Ca 0.56 0.45 -0.31 0.00 0.31 0.00 0.00 61.69 62.71 3dxc s THR 579 Cb -0.35 -4.41 -0.11 0.00 0.01 0.00 0.00 72.50 67.64 3dxc s THR 579 CO 0.36 -0.86 1.58 -2.16 -0.69 0.00 0.00 174.62 172.85 3dxc s PRO 580 N 3.58 4.18 0.38 4.92 0.04 -1.26 -0.67 135.00 146.18 3dxc s PRO 580 Ca 0.32 2.46 -0.11 0.00 0.04 0.00 0.00 61.00 63.71 3dxc s PRO 580 Cb -0.12 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.37 3dxc s PRO 580 CO 0.23 -0.61 0.70 -1.54 0.04 0.00 0.00 177.00 175.82 3dxc s SER 581 N 0.80 0.37 0.04 6.66 1.04 -0.57 -1.37 113.70 120.66 3dxc s SER 581 Ca 0.67 -1.32 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 3dxc s SER 581 Cb -0.46 0.81 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3dxc s SER 581 CO 0.39 -1.60 -0.01 -1.38 0.98 0.00 0.00 173.24 171.61 3dxc s HIS 582 N -2.39 0.41 -0.20 5.02 -3.43 -0.79 -3.86 115.29 110.05 3dxc s HIS 582 Ca 0.21 -0.86 -0.04 0.00 -0.80 0.00 0.00 55.06 53.56 3dxc s HIS 582 Cb -0.04 -0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 30.79 3dxc s HIS 582 CO 0.15 -0.34 -0.02 0.08 -2.00 0.00 0.00 174.74 172.62 3dxc s VAL 583 N -3.17 3.80 -0.43 -5.38 1.01 -1.26 -1.50 120.40 113.47 3dxc s VAL 583 Ca -0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 3dxc s VAL 583 Cb 0.02 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.71 3dxc s VAL 583 CO -0.07 0.44 0.90 -0.55 0.00 0.00 0.00 175.10 175.81 3dxc s SER 584 N 1.01 6.53 -0.22 3.32 0.15 -0.20 -4.93 113.70 119.37 3dxc s SER 584 Ca 0.01 0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.78 3dxc s SER 584 Cb -0.14 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 3dxc s SER 584 CO 0.01 -0.97 0.12 -0.69 1.20 0.00 0.00 173.24 172.91 3dxc s VAL 585 N 3.60 5.11 0.04 4.45 1.01 -1.26 -0.82 120.40 132.52 3dxc s VAL 585 Ca 0.36 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 3dxc s VAL 585 Cb -0.11 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3dxc s VAL 585 CO 0.24 0.38 -0.03 0.00 0.00 0.00 0.00 175.10 175.68 3dxc s ALA 586 N 0.89 0.33 0.34 5.51 0.00 -0.03 -5.02 121.76 123.78 3dxc s ALA 586 Ca 0.06 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.24 3dxc s ALA 586 Cb -0.13 0.20 0.90 0.00 0.00 0.00 0.00 23.12 24.09 3dxc s ALA 586 CO 0.03 -0.25 1.76 -1.35 0.00 0.00 0.00 175.76 175.95 3dxc h PRO 587 N 3.94 0.57 -0.03 0.00 0.11 -1.93 -2.57 132.00 132.09 3dxc h PRO 587 Ca -0.33 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.62 3dxc h PRO 587 Cb 1.18 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.17 3dxc h PRO 587 CO 0.53 0.37 -0.47 0.00 -0.21 0.00 0.00 178.00 178.22 3dxc h ALA 588 N 1.67 0.10 -2.69 -0.75 0.00 -1.96 -3.41 119.26 112.22 3dxc h ALA 588 Ca 0.60 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3dxc h ALA 588 Cb 1.19 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 3dxc h ALA 588 CO -0.39 0.28 -0.52 0.95 0.00 0.00 0.00 179.25 179.57 3dxc s THR 589 N -3.36 0.11 -0.14 0.00 -4.23 -0.97 -0.72 115.64 106.33 3dxc s THR 589 Ca -0.14 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 3dxc s THR 589 Cb 0.03 -0.65 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 3dxc s THR 589 CO 0.80 -0.50 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.61 3dxc s LEU 590 N -1.77 3.40 -0.19 4.79 1.43 0.05 -0.85 118.68 125.55 3dxc s LEU 590 Ca -0.10 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3dxc s LEU 590 Cb -0.05 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3dxc s LEU 590 CO -0.02 0.23 -0.17 -0.89 0.23 0.00 0.00 176.35 175.73 3dxc s THR 591 N 0.03 1.96 -0.19 5.49 2.01 0.00 -0.70 115.64 124.24 3dxc s THR 591 Ca 0.02 -1.00 -0.23 0.00 0.31 0.00 0.00 61.69 60.78 3dxc s THR 591 Cb -0.13 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 3dxc s THR 591 CO 0.02 0.41 0.74 -0.63 -0.69 0.00 0.00 174.62 174.47 3dxc s ILE 592 N 1.30 4.94 -0.07 1.82 1.01 -0.09 -1.03 121.20 129.09 3dxc s ILE 592 Ca 0.02 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.14 3dxc s ILE 592 Cb -0.14 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3dxc s ILE 592 CO -0.11 0.06 -0.18 -0.76 0.00 0.00 0.00 174.94 173.94 3dxc s LEU 593 N 2.08 1.90 0.42 2.97 1.43 -0.56 0.03 118.68 126.95 3dxc s LEU 593 Ca 0.34 -0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 52.77 3dxc s LEU 593 Cb -0.16 -1.10 -0.10 0.00 0.03 0.00 0.00 46.19 44.86 3dxc s LEU 593 CO 0.11 0.12 1.21 1.57 0.23 0.00 0.00 176.35 179.60 3dxc n HIS 594 N 3.47 1.91 -0.08 0.29 -0.00 0.48 -1.89 115.22 119.40 3dxc n HIS 594 Ca -0.20 0.51 -0.10 0.00 -0.00 0.00 0.00 57.72 57.93 3dxc n HIS 594 Cb 0.52 -2.34 -0.07 0.00 -0.00 0.00 0.00 29.99 28.10 3dxc n HIS 594 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 3dxc h GLN 595 N 1.93 -0.31 0.00 1.57 4.15 -1.54 -2.44 115.11 118.47 3dxc h GLN 595 Ca -0.47 0.02 -0.32 0.00 0.77 0.00 0.00 58.65 58.65 3dxc h GLN 595 Cb 1.31 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 29.02 3dxc h GLN 595 CO 0.59 -0.21 -1.79 0.94 -1.93 0.00 0.00 178.83 176.44 3dxc n GLN 596 N -4.62 0.57 0.25 1.69 7.27 -1.26 -4.39 117.38 116.90 3dxc n GLN 596 Ca -0.03 0.44 0.17 0.00 0.07 0.00 0.00 57.00 57.65 3dxc n GLN 596 Cb 0.25 -1.63 0.80 0.00 2.41 0.00 0.00 30.24 32.07 3dxc n GLN 596 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 3dxc h THR 597 N -1.00 0.00 -2.29 1.69 1.35 -1.99 -3.46 112.91 107.21 3dxc h THR 597 Ca -0.49 -0.23 -0.36 0.00 -0.55 0.00 0.00 66.41 64.79 3dxc h THR 597 Cb 1.41 1.10 -0.08 0.00 -1.73 0.00 0.00 68.15 68.86 3dxc h THR 597 CO -0.29 0.00 -0.39 -0.62 -0.25 0.00 0.00 175.52 173.96 3dxc n GLU 598 N -2.81 -1.65 -2.01 4.72 -0.58 -0.92 -4.96 120.64 112.43 3dxc n GLU 598 Ca -0.01 0.94 -0.41 0.00 -0.42 0.00 0.00 57.16 57.27 3dxc n GLU 598 Cb 0.18 -5.44 -0.02 0.00 -0.57 0.00 0.00 31.44 25.60 3dxc n GLU 598 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxc s ALA 599 N -2.70 3.55 -0.28 0.62 0.00 -1.26 -4.61 121.76 117.08 3dxc s ALA 599 Ca 0.00 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 3dxc s ALA 599 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3dxc s ALA 599 CO 0.00 -0.78 1.10 0.08 0.00 0.00 0.00 175.76 176.17 3dxc s VAL 600 N -0.88 4.50 -0.12 0.00 1.01 -1.26 -0.39 120.40 123.27 3dxc s VAL 600 Ca 0.52 1.76 0.21 0.00 0.00 0.00 0.00 61.98 64.47 3dxc s VAL 600 Cb -0.42 -4.32 -0.22 0.00 0.00 0.00 0.00 36.38 31.41 3dxc s VAL 600 CO 0.53 -0.36 0.58 0.18 0.00 0.00 0.00 175.10 176.04 3dxc n LEU 601 N 6.76 0.32 -3.57 3.92 4.77 0.11 -4.95 117.00 124.35 3dxc n LEU 601 Ca 0.12 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.17 3dxc n LEU 601 Cb 0.47 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3dxc n LEU 601 CO 0.57 0.07 0.89 -0.83 -1.33 0.00 0.00 177.39 176.76 3dxc s GLY 602 N -4.70 -0.29 -0.02 -0.72 0.00 -1.14 -4.96 107.32 95.49 3dxc s GLY 602 Ca -0.06 1.66 -0.00 0.00 0.00 0.00 0.00 44.72 46.32 3dxc s GLY 602 CO 0.86 0.65 0.04 1.85 0.00 0.00 0.00 173.10 176.49 3dxc s GLU 603 N -2.18 -0.02 -0.06 2.90 2.12 -1.26 -0.91 118.70 119.28 3dxc s GLU 603 Ca 0.06 0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.60 3dxc s GLU 603 Cb -0.01 -0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.17 3dxc s GLU 603 CO -0.05 -0.15 -0.13 0.00 -0.54 0.00 0.00 175.26 174.39 3dxc s ARG 605 N 0.57 4.37 0.32 0.00 0.52 -1.26 -0.77 118.95 122.70 3dxc s ARG 605 Ca -0.14 1.50 0.05 0.00 -0.52 0.00 0.00 55.73 56.62 3dxc s ARG 605 Cb -0.15 -3.57 0.69 0.00 0.52 0.00 0.00 34.95 32.43 3dxc s ARG 605 CO 0.04 -0.42 1.86 0.28 0.02 0.00 0.00 175.30 177.09 3dxc h VAL 606 N 5.13 0.90 -0.47 3.52 2.07 -1.15 -0.61 116.25 125.63 3dxc h VAL 606 Ca -0.30 -0.29 0.14 0.00 0.82 0.00 0.00 66.70 67.06 3dxc h VAL 606 Cb 1.14 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3dxc h VAL 606 CO 0.88 0.15 0.38 -0.09 0.02 0.00 0.00 177.57 178.92 3dxc h ARG 607 N 0.84 0.00 -0.58 1.57 2.43 -1.84 -1.46 114.38 115.35 3dxc h ARG 607 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 3dxc h ARG 607 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3dxc h ARG 607 CO -0.22 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.43 3dxc n PHE 608 N -4.14 0.77 -2.56 2.20 3.72 -0.24 -4.88 117.46 112.33 3dxc n PHE 608 Ca 0.08 -0.47 -0.43 0.00 -0.05 0.00 0.00 57.45 56.58 3dxc n PHE 608 Cb 0.59 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.10 3dxc n PHE 608 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dxc s LEU 609 N -1.04 3.91 -0.00 4.37 0.20 -0.55 -0.03 118.68 125.54 3dxc s LEU 609 Ca 0.40 1.09 0.11 0.00 0.69 0.00 0.00 54.13 56.42 3dxc s LEU 609 Cb 0.21 -3.54 -0.23 0.00 -0.43 0.00 0.00 46.19 42.20 3dxc s LEU 609 CO 0.28 -0.96 0.82 0.77 -0.29 0.00 0.00 176.35 176.98 3dxc h SER 610 N 8.51 0.01 -4.69 3.68 4.64 -1.44 -3.48 113.55 120.78 3dxc h SER 610 Ca -0.23 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3dxc h SER 610 Cb 1.07 -0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.97 3dxc h SER 610 CO 1.04 1.01 0.17 0.12 -0.87 0.00 0.00 176.83 178.29 3dxc s PHE 611 N -2.63 -0.70 0.05 4.77 5.36 -1.22 -4.89 117.98 118.73 3dxc s PHE 611 Ca -0.03 1.37 -0.05 0.00 -0.96 0.00 0.00 56.93 57.26 3dxc s PHE 611 Cb 0.08 0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 43.11 3dxc s PHE 611 CO 0.82 -0.54 0.07 -0.48 -1.46 0.00 0.00 175.22 173.64 3dxc s LEU 612 N -0.71 1.95 0.04 6.12 0.05 -1.26 -0.34 118.68 124.52 3dxc s LEU 612 Ca -0.08 -0.72 -0.27 0.00 0.05 0.00 0.00 54.13 53.12 3dxc s LEU 612 Cb -0.02 0.57 0.09 0.00 -2.05 0.00 0.00 46.19 44.78 3dxc s LEU 612 CO 0.07 -0.59 0.78 0.00 -0.55 0.00 0.00 176.35 176.06 3dxc s ALA 613 N -3.33 -1.75 -0.01 1.48 0.00 -0.41 -5.00 121.76 112.75 3dxc s ALA 613 Ca 0.01 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 3dxc s ALA 613 Cb 0.03 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 3dxc s ALA 613 CO -0.08 -0.66 0.53 0.08 0.00 0.00 0.00 175.76 175.63 3dxc s VAL 614 N -3.01 4.95 1.28 0.00 1.01 -1.26 -1.42 120.40 121.96 3dxc s VAL 614 Ca 0.02 1.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 3dxc s VAL 614 Cb -0.01 -3.85 0.32 0.00 0.00 0.00 0.00 36.38 32.83 3dxc s VAL 614 CO -0.08 0.46 1.05 -0.83 0.00 0.00 0.00 175.10 175.70 3dxc s GLY 615 N -0.42 1.53 0.30 4.51 0.00 -0.72 -4.94 107.32 107.57 3dxc s GLY 615 Ca 0.28 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 44.10 3dxc s GLY 615 CO 0.15 0.03 1.82 3.21 0.00 0.00 0.00 173.10 178.31 3dxc h ARG 616 N -2.89 0.68 -6.17 2.90 2.47 -1.96 -3.35 114.38 106.06 3dxc h ARG 616 Ca -0.44 -0.16 -0.58 0.00 -1.26 0.00 0.00 59.98 57.54 3dxc h ARG 616 Cb 1.31 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 3dxc h ARG 616 CO 0.32 0.68 0.84 0.34 0.56 0.00 0.00 179.97 182.71 3dxc s ASP 617 N -6.67 7.00 0.40 7.04 -1.08 -1.26 -4.95 116.67 117.14 3dxc s ASP 617 Ca -0.09 1.33 0.26 0.00 -0.52 0.00 0.00 52.55 53.54 3dxc s ASP 617 Cb 0.15 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.50 3dxc s ASP 617 CO 0.79 -0.77 1.80 1.62 0.52 0.00 0.00 175.17 179.13 3dxc h VAL 618 N 5.57 0.00 0.00 1.11 3.04 -1.96 -0.28 116.25 123.73 3dxc h VAL 618 Ca -0.21 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3dxc h VAL 618 Cb 1.07 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 3dxc h VAL 618 CO 1.00 0.00 -0.02 0.45 -1.01 0.00 0.00 177.57 177.99 3dxc h HIS 619 N 0.00 0.00 -3.10 3.17 3.86 -1.86 -0.34 115.15 116.88 3dxc h HIS 619 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 3dxc h HIS 619 Cb 0.04 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.45 3dxc h HIS 619 CO 0.00 0.02 -0.14 0.95 0.86 0.00 0.00 177.93 179.61 3dxc s THR 620 N -3.44 4.94 0.03 2.45 -4.23 -0.12 0.04 115.64 115.30 3dxc s THR 620 Ca 0.04 0.97 0.04 0.00 -1.18 0.00 0.00 61.69 61.55 3dxc s THR 620 Cb 0.07 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.12 3dxc s THR 620 CO 0.61 0.56 -0.12 0.12 -0.54 0.00 0.00 174.62 175.25 3dxc s PHE 621 N -0.98 1.01 -0.03 3.99 5.36 -0.70 -1.76 117.98 124.86 3dxc s PHE 621 Ca 0.26 -0.32 -0.17 0.00 -0.96 0.00 0.00 56.93 55.74 3dxc s PHE 621 Cb -0.17 -0.61 0.03 0.00 -0.34 0.00 0.00 43.02 41.92 3dxc s PHE 621 CO 0.15 0.00 0.37 0.00 -1.46 0.00 0.00 175.22 174.28 3dxc s ALA 622 N -0.75 -0.93 0.05 11.12 0.00 -0.50 -0.97 121.76 129.77 3dxc s ALA 622 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3dxc s ALA 622 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3dxc s ALA 622 CO 0.01 -0.27 -0.11 -0.59 0.00 0.00 0.00 175.76 174.80 3dxc s PHE 623 N -1.14 0.93 -0.13 0.00 -0.12 -0.69 -1.28 117.98 115.55 3dxc s PHE 623 Ca -0.12 -0.43 -0.05 0.00 -0.05 0.00 0.00 56.93 56.28 3dxc s PHE 623 Cb -0.04 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 3dxc s PHE 623 CO 0.05 -0.01 0.05 0.42 -0.05 0.00 0.00 175.22 175.68 3dxc s ILE 624 N -1.15 4.73 -0.09 -4.49 1.01 0.53 -0.87 121.20 120.87 3dxc s ILE 624 Ca -0.04 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3dxc s ILE 624 Cb -0.09 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3dxc s ILE 624 CO 0.01 0.55 -0.10 -0.04 0.00 0.00 0.00 174.94 175.37 3dxc s MET 625 N -0.42 2.99 -0.84 2.79 -1.94 0.86 -1.26 119.30 121.47 3dxc s MET 625 Ca 0.09 -0.62 -0.25 0.00 -1.71 0.00 0.00 55.69 53.20 3dxc s MET 625 Cb -0.12 -2.60 0.04 0.00 2.01 0.00 0.00 34.83 34.16 3dxc s MET 625 CO 0.02 0.48 1.33 0.00 -0.01 0.00 0.00 175.02 176.83 3dxc s ALA 626 N -0.32 2.76 -0.06 3.03 0.00 0.95 -1.23 121.76 126.89 3dxc s ALA 626 Ca 0.04 -1.72 0.26 0.00 0.00 0.00 0.00 51.96 50.53 3dxc s ALA 626 Cb -0.13 -4.34 0.81 0.00 0.00 0.00 0.00 23.12 19.46 3dxc s ALA 626 CO 0.02 -3.39 1.78 0.00 0.00 0.00 0.00 175.76 174.17 3dxc h ALA 627 N 9.92 0.97 -2.95 0.00 0.00 -0.78 -3.46 119.26 122.95 3dxc h ALA 627 Ca -0.10 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3dxc h ALA 627 Cb 1.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3dxc h ALA 627 CO 1.33 0.16 0.28 0.20 0.00 0.00 0.00 179.25 181.22 3dxc s GLY 628 N -4.25 0.17 0.37 0.00 0.00 -0.72 -4.96 107.32 97.93 3dxc s GLY 628 Ca 0.03 -0.54 0.18 0.00 0.00 0.00 0.00 44.72 44.39 3dxc s GLY 628 CO 0.63 -0.09 1.69 -2.55 0.00 0.00 0.00 173.10 172.78 3dxc h PRO 629 N 2.00 0.32 -0.19 2.90 0.11 -2.02 -2.17 132.00 132.96 3dxc h PRO 629 Ca -0.27 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.62 3dxc h PRO 629 Cb 1.25 -0.07 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 3dxc h PRO 629 CO 0.33 0.21 -0.96 0.00 -0.21 0.00 0.00 178.00 177.38 3dxc n ALA 630 N -2.38 2.86 -3.72 -0.75 0.00 -1.26 -5.03 120.51 110.22 3dxc n ALA 630 Ca 0.31 -2.74 -0.18 0.00 0.00 0.00 0.00 53.44 50.83 3dxc n ALA 630 Cb 1.01 -0.68 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 3dxc n ALA 630 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dxc s SER 631 N -2.84 0.60 -0.03 0.00 0.15 -0.82 -5.09 113.70 105.67 3dxc s SER 631 Ca 0.34 0.03 0.05 0.00 0.70 0.00 0.00 55.95 57.07 3dxc s SER 631 Cb 0.37 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 3dxc s SER 631 CO -0.10 -0.17 -0.16 -0.36 1.20 0.00 0.00 173.24 173.65 3dxc s PHE 632 N 1.48 1.58 -0.07 3.44 0.08 -1.25 -0.07 117.98 123.16 3dxc s PHE 632 Ca -0.04 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.64 3dxc s PHE 632 Cb -0.13 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 3dxc s PHE 632 CO -0.03 -0.11 -0.10 0.00 -0.10 0.00 0.00 175.22 174.88 3dxc s HIS 635 N 1.69 3.46 0.04 0.00 3.76 -0.04 -1.26 115.29 122.93 3dxc s HIS 635 Ca 0.06 0.38 0.04 0.00 -0.15 0.00 0.00 55.06 55.39 3dxc s HIS 635 Cb -0.16 -2.07 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 3dxc s HIS 635 CO 0.08 0.44 -0.11 -1.64 -0.85 0.00 0.00 174.74 172.65 3dxc s MET 636 N -0.14 0.73 0.01 1.40 -1.94 -0.30 -1.70 119.30 117.35 3dxc s MET 636 Ca 0.10 -0.71 -0.02 0.00 -1.71 0.00 0.00 55.69 53.35 3dxc s MET 636 Cb -0.11 -0.66 -0.01 0.00 2.01 0.00 0.00 34.83 36.06 3dxc s MET 636 CO 0.00 0.15 0.03 -0.06 -0.01 0.00 0.00 175.02 175.13 3dxc s PHE 637 N -0.97 0.16 -0.18 -0.03 0.40 -0.15 0.06 117.98 117.28 3dxc s PHE 637 Ca -0.02 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 3dxc s PHE 637 Cb -0.08 -0.12 -0.00 0.00 0.51 0.00 0.00 43.02 43.33 3dxc s PHE 637 CO 0.01 -0.19 -0.12 -0.46 0.70 0.00 0.00 175.22 175.16 3dxc s TRP 638 N -1.23 2.85 -0.10 0.36 -0.11 -0.16 -1.72 118.94 118.82 3dxc s TRP 638 Ca -0.13 -1.05 0.03 0.00 1.22 0.00 0.00 56.10 56.17 3dxc s TRP 638 Cb -0.08 -1.96 -0.01 0.00 -1.50 0.00 0.00 33.47 29.92 3dxc s TRP 638 CO -0.00 -0.52 -0.20 0.00 -4.62 0.00 0.00 176.95 171.61 3dxc s GLU 640 N 0.25 3.00 0.45 0.00 0.41 0.45 -2.97 118.70 120.29 3dxc s GLU 640 Ca -0.14 -0.59 0.25 0.00 -0.41 0.00 0.00 54.97 54.08 3dxc s GLU 640 Cb -0.17 -2.63 0.64 0.00 -1.78 0.00 0.00 34.13 30.19 3dxc s GLU 640 CO 0.07 0.50 1.71 -1.00 -0.49 0.00 0.00 175.26 176.05 3dxc h PRO 641 N 5.80 0.00 -2.83 0.39 0.13 -1.95 -1.88 132.00 131.65 3dxc h PRO 641 Ca -0.41 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.78 3dxc h PRO 641 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3dxc h PRO 641 CO 0.55 0.08 0.35 0.54 -0.23 0.00 0.00 178.00 179.28 3dxc s ASN 642 N -6.10 -0.08 0.00 1.44 2.20 -1.16 -4.78 114.94 106.46 3dxc s ASN 642 Ca 0.04 -0.84 0.31 0.00 -0.94 0.00 0.00 52.86 51.43 3dxc s ASN 642 Cb 0.07 0.71 1.61 0.00 -2.00 0.00 0.00 41.25 41.64 3dxc s ASN 642 CO 0.64 -1.38 2.06 0.00 -2.94 0.00 0.00 177.10 175.48 3dxc n ALA 643 N -0.54 2.66 0.08 3.54 0.00 -0.14 -4.50 120.51 121.62 3dxc n ALA 643 Ca -0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 3dxc n ALA 643 Cb 0.60 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 3dxc n ALA 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxc h ALA 644 N 4.06 -0.51 -0.57 0.00 0.00 -1.95 -1.23 119.26 119.06 3dxc h ALA 644 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3dxc h ALA 644 Cb 0.17 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3dxc h ALA 644 CO 0.00 -0.85 0.01 0.66 0.00 0.00 0.00 179.25 179.06 3dxc h SER 645 N -0.51 0.97 -0.22 0.00 4.64 -2.00 -1.13 113.55 115.31 3dxc h SER 645 Ca 0.05 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.01 3dxc h SER 645 Cb 0.57 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3dxc h SER 645 CO -0.23 1.04 -0.07 0.25 -0.87 0.00 0.00 176.83 176.94 3dxc h LEU 646 N 0.88 0.44 -0.91 5.97 5.85 -1.85 -1.77 115.31 123.92 3dxc h LEU 646 Ca 0.16 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3dxc h LEU 646 Cb 0.54 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3dxc h LEU 646 CO 0.03 0.73 0.53 0.77 -0.34 0.00 0.00 178.44 180.16 3dxc h SER 647 N 0.15 1.11 -0.44 1.25 4.64 -1.09 -1.42 113.55 117.75 3dxc h SER 647 Ca 0.05 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3dxc h SER 647 Cb 0.54 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3dxc h SER 647 CO 0.03 0.86 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.43 3dxc h GLU 648 N 1.26 0.83 -0.56 4.77 5.08 -1.19 -0.13 114.58 124.63 3dxc h GLU 648 Ca 0.32 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3dxc h GLU 648 Cb -0.03 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3dxc h GLU 648 CO -0.06 0.93 0.34 0.00 -1.00 0.00 0.00 179.01 179.22 3dxc h ALA 649 N 0.87 0.73 -0.47 3.43 0.00 -1.07 0.12 119.26 122.87 3dxc h ALA 649 Ca 0.11 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3dxc h ALA 649 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3dxc h ALA 649 CO 0.04 0.05 -0.24 0.28 0.00 0.00 0.00 179.25 179.38 3dxc h VAL 650 N 0.66 1.27 -0.82 0.00 2.07 -1.16 -0.47 116.25 117.80 3dxc h VAL 650 Ca 0.23 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3dxc h VAL 650 Cb 0.04 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3dxc h VAL 650 CO -0.11 0.48 0.52 -0.61 0.02 0.00 0.00 177.57 177.88 3dxc h GLN 651 N 0.84 0.99 -0.55 1.57 4.15 -0.80 -1.95 115.11 119.36 3dxc h GLN 651 Ca 0.10 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.47 3dxc h GLN 651 Cb 0.83 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 3dxc h GLN 651 CO 0.07 0.66 0.36 0.00 -1.93 0.00 0.00 178.83 177.99 3dxc h ALA 652 N 1.34 0.70 -0.39 3.38 0.00 -0.31 -0.81 119.26 123.17 3dxc h ALA 652 Ca 0.33 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3dxc h ALA 652 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 3dxc h ALA 652 CO -0.11 0.13 0.04 0.00 0.00 0.00 0.00 179.25 179.31 3dxc h ALA 653 N 1.20 0.39 -0.95 0.00 0.00 -0.77 -1.00 119.26 118.13 3dxc h ALA 653 Ca 0.20 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3dxc h ALA 653 Cb -0.08 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3dxc h ALA 653 CO -0.05 -0.36 0.62 0.00 0.00 0.00 0.00 179.25 179.46 3dxc h MET 655 N 1.21 0.53 -0.29 0.00 2.86 -0.38 -1.28 114.93 117.59 3dxc h MET 655 Ca 0.38 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.75 3dxc h MET 655 Cb -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3dxc h MET 655 CO -0.12 0.57 -0.41 -0.07 1.06 0.00 0.00 176.91 177.95 3dxc h LEU 656 N 0.39 0.74 -0.79 1.22 3.38 -1.10 -2.80 115.31 116.34 3dxc h LEU 656 Ca 0.11 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3dxc h LEU 656 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3dxc h LEU 656 CO -0.00 1.05 0.05 -0.09 0.09 0.00 0.00 178.44 179.54 3dxc h ARG 657 N 0.57 0.96 -0.74 1.13 9.65 -0.93 -2.55 114.38 122.47 3dxc h ARG 657 Ca 0.05 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 58.61 3dxc h ARG 657 Cb 0.94 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 3dxc h ARG 657 CO 0.09 0.92 0.26 -0.92 2.80 0.00 0.00 179.97 183.11 3dxc h TYR 658 N 0.90 1.16 -0.48 2.20 3.20 -1.16 -2.04 116.97 120.75 3dxc h TYR 658 Ca 0.17 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3dxc h TYR 658 Cb 0.46 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3dxc h TYR 658 CO 0.03 0.91 0.31 0.37 -1.64 0.00 0.00 178.16 178.14 3dxc h GLN 659 N 1.08 0.62 -0.69 1.82 5.75 -1.28 -1.54 115.11 120.86 3dxc h GLN 659 Ca 0.24 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.77 3dxc h GLN 659 Cb 0.27 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.62 3dxc h GLN 659 CO -0.01 0.41 0.38 0.87 -2.65 0.00 0.00 178.83 177.83 3dxc h LYS 660 N 0.64 0.66 -0.73 1.69 1.57 -1.29 0.34 116.57 119.46 3dxc h LYS 660 Ca 0.18 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.01 3dxc h LYS 660 Cb -0.06 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.03 3dxc h LYS 660 CO -0.05 0.44 0.37 0.00 -0.57 0.00 0.00 179.45 179.64 3dxc h LEU 662 N 0.62 0.92 -1.22 0.00 3.38 -0.32 -3.27 115.31 115.42 3dxc h LEU 662 Ca 0.36 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3dxc h LEU 662 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dxc h LEU 662 CO -0.27 1.22 -0.17 0.44 0.09 0.00 0.00 178.44 179.75 3dxc h ASP 663 N 0.69 0.32 0.29 -0.43 5.19 0.18 -2.55 116.42 120.11 3dxc h ASP 663 Ca 0.05 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3dxc h ASP 663 Cb 1.01 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.44 3dxc h ASP 663 CO 0.10 0.51 0.00 0.00 -3.12 0.00 0.00 179.24 176.73 3dxc n ALA 664 N -2.48 2.53 -0.49 3.45 0.00 -0.32 -5.08 120.51 118.12 3dxc n ALA 664 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3dxc n ALA 664 Cb 0.32 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3dxc n ALA 664 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04