#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gx1 n ALA 541 N 0.00 -1.28 -2.31 -2.53 0.00 -1.26 -5.01 120.51 108.11 3gx1 n ALA 541 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.59 3gx1 n ALA 541 Cb 0.00 -5.42 0.01 0.00 0.00 0.00 0.00 19.45 14.05 3gx1 n ALA 541 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3gx1 s GLN 542 N -6.27 2.25 0.16 0.00 -2.07 -1.26 -4.81 119.66 107.66 3gx1 s GLN 542 Ca 0.57 -1.96 -0.32 0.00 -1.82 0.00 0.00 55.36 51.84 3gx1 s GLN 542 Cb -0.25 -2.22 -0.10 0.00 -1.09 0.00 0.00 33.01 29.34 3gx1 s GLN 542 CO 0.70 -0.72 1.61 0.08 -1.32 0.00 0.00 175.29 175.65 3gx1 s VAL 543 N -2.77 2.56 -0.09 3.63 1.01 -1.26 -4.46 120.40 119.02 3gx1 s VAL 543 Ca 0.40 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.55 3gx1 s VAL 543 Cb -0.03 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3gx1 s VAL 543 CO 0.25 0.02 0.55 -1.61 0.00 0.00 0.00 175.10 174.32 3gx1 s GLU 544 N 1.35 4.35 -0.31 2.72 0.41 -1.05 -4.90 118.70 121.28 3gx1 s GLU 544 Ca 0.72 0.59 -0.07 0.00 -0.41 0.00 0.00 54.97 55.80 3gx1 s GLU 544 Cb -0.44 -3.42 0.01 0.00 -1.78 0.00 0.00 34.13 28.50 3gx1 s GLU 544 CO 0.32 0.17 0.09 0.08 -0.49 0.00 0.00 175.26 175.43 3gx1 s VAL 545 N 0.54 3.99 -0.22 2.63 1.01 -1.26 0.81 120.40 127.90 3gx1 s VAL 545 Ca 0.30 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3gx1 s VAL 545 Cb -0.16 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3gx1 s VAL 545 CO 0.13 0.03 -0.07 -0.63 0.00 0.00 0.00 175.10 174.55 3gx1 s ILE 546 N 1.49 3.01 0.58 2.22 1.01 0.26 -1.21 121.20 128.56 3gx1 s ILE 546 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.96 3gx1 s ILE 546 Cb -0.18 -2.40 0.11 0.00 0.01 0.00 0.00 42.46 40.00 3gx1 s ILE 546 CO 0.03 0.37 0.80 0.52 0.00 0.00 0.00 174.94 176.66 3gx1 n VAL 547 N 4.73 0.00 -2.30 2.92 0.31 -0.25 -0.18 118.33 123.56 3gx1 n VAL 547 Ca -0.18 -1.43 -0.37 0.00 -0.01 0.00 0.00 64.34 62.35 3gx1 n VAL 547 Cb 0.49 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.56 3gx1 n VAL 547 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3gx1 s HIS 550 N -2.44 2.90 0.00 3.52 3.76 -1.26 -1.11 115.29 120.66 3gx1 s HIS 550 Ca 0.55 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 57.01 3gx1 s HIS 550 Cb -0.03 -3.33 0.00 0.00 1.11 0.00 0.00 32.58 30.33 3gx1 s HIS 550 CO 0.36 -1.39 0.00 0.41 -0.85 0.00 0.00 174.74 173.27 3gx1 n GLY 551 N 0.37 1.80 0.20 -2.22 0.00 -1.26 -4.47 105.19 99.60 3gx1 n GLY 551 Ca 0.08 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 44.06 3gx1 n GLY 551 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gx1 h ARG 552 N 0.00 0.00 0.00 1.61 3.08 -1.95 -2.94 114.38 114.18 3gx1 h ARG 552 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gx1 h ARG 552 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3gx1 h ARG 552 CO 0.00 0.32 -0.02 -1.13 -1.07 0.00 0.00 179.97 178.07 3gx1 n SER 553 N -3.45 -0.07 0.13 7.04 3.41 -1.26 -4.89 113.62 114.54 3gx1 n SER 553 Ca 0.00 -0.77 -0.13 0.00 -0.26 0.00 0.00 58.87 57.70 3gx1 n SER 553 Cb 0.49 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 3gx1 n SER 553 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3gx1 h THR 554 N 3.54 0.72 0.20 6.66 2.02 -1.79 -0.18 112.91 124.08 3gx1 h THR 554 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3gx1 h THR 554 Cb 0.75 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3gx1 h THR 554 CO -0.02 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.77 3gx1 h ALA 555 N 0.49 -0.27 0.20 6.16 0.00 -1.86 -3.11 119.26 120.87 3gx1 h ALA 555 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gx1 h ALA 555 Cb 0.27 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3gx1 h ALA 555 CO 0.00 -0.62 -0.47 1.15 0.00 0.00 0.00 179.25 179.31 3gx1 h THR 556 N -0.34 0.08 0.00 0.00 2.02 -1.87 -0.41 112.91 112.38 3gx1 h THR 556 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3gx1 h THR 556 Cb 0.26 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3gx1 h THR 556 CO 0.05 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.70 3gx1 n SER 557 N -5.49 0.00 0.00 4.18 2.88 -0.08 -1.13 113.62 113.97 3gx1 n SER 557 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 3gx1 n SER 557 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 3gx1 n SER 557 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3gx1 n VAL 559 N 0.61 0.00 0.10 2.46 0.31 -0.17 -2.00 118.33 119.64 3gx1 n VAL 559 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3gx1 n VAL 559 Cb 0.00 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.20 3gx1 n VAL 559 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gx1 h GLU 560 N 0.00 0.24 -0.47 5.55 5.08 -1.37 0.05 114.58 123.65 3gx1 h GLU 560 Ca 0.00 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3gx1 h GLU 560 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3gx1 h GLU 560 CO 0.00 0.56 0.09 1.15 -1.00 0.00 0.00 179.01 179.80 3gx1 h THR 561 N 0.21 1.24 -0.17 1.13 2.02 -1.65 -1.79 112.91 113.91 3gx1 h THR 561 Ca 0.03 -0.89 -0.17 0.00 0.77 0.00 0.00 66.41 66.15 3gx1 h THR 561 Cb 0.70 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3gx1 h THR 561 CO 0.05 0.32 -0.59 0.58 0.37 0.00 0.00 175.52 176.25 3gx1 h VAL 562 N 0.65 1.33 -0.50 3.16 2.07 -1.73 0.14 116.25 121.37 3gx1 h VAL 562 Ca 0.15 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 3gx1 h VAL 562 Cb 0.37 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3gx1 h VAL 562 CO 0.01 0.58 0.15 1.56 0.02 0.00 0.00 177.57 179.88 3gx1 h GLN 563 N 0.41 0.78 -0.23 1.57 4.20 -0.89 -0.64 115.11 120.31 3gx1 h GLN 563 Ca -0.00 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.38 3gx1 h GLN 563 Cb 1.15 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3gx1 h GLN 563 CO 0.11 0.73 -0.49 1.49 -0.67 0.00 0.00 178.83 180.01 3gx1 h GLU 564 N 0.67 0.61 -0.87 1.46 4.81 -1.07 0.22 114.58 120.41 3gx1 h GLU 564 Ca 0.16 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 3gx1 h GLU 564 Cb 0.28 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3gx1 h GLU 564 CO -0.00 0.96 0.57 -0.07 -0.73 0.00 0.00 179.01 179.74 3gx1 h LEU 565 N 0.49 1.01 -2.01 1.64 3.38 -0.33 -3.14 115.31 116.34 3gx1 h LEU 565 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gx1 h LEU 565 Cb 1.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3gx1 h LEU 565 CO 0.10 0.73 0.00 0.18 0.09 0.00 0.00 178.44 179.54 3gx1 n LEU 566 N -4.47 3.04 -4.18 1.67 4.77 -0.28 -4.98 117.00 112.57 3gx1 n LEU 566 Ca 0.09 -1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 54.61 3gx1 n LEU 566 Cb 0.02 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3gx1 n LEU 566 CO 0.37 0.56 -0.37 -1.54 -1.33 0.00 0.00 177.39 175.08 3gx1 n SER 567 N 1.32 -0.28 -4.52 -1.43 3.41 0.73 -5.01 113.62 107.84 3gx1 n SER 567 Ca 0.15 -1.22 -0.25 0.00 -0.26 0.00 0.00 58.87 57.29 3gx1 n SER 567 Cb 0.58 -1.98 -0.10 0.00 -0.26 0.00 0.00 64.21 62.45 3gx1 n SER 567 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3gx1 s ILE 568 N -4.14 2.45 -0.18 -1.33 -4.36 -0.95 -5.05 121.20 107.64 3gx1 s ILE 568 Ca 0.09 -2.26 0.02 0.00 -0.26 0.00 0.00 60.65 58.23 3gx1 s ILE 568 Cb -0.05 -2.51 0.04 0.00 1.25 0.00 0.00 42.46 41.19 3gx1 s ILE 568 CO 0.97 -0.30 0.84 -0.62 0.24 0.00 0.00 174.94 176.07 3gx1 n GLU 569 N -0.73 1.46 -1.95 0.37 1.02 -1.26 -4.67 120.64 114.87 3gx1 n GLU 569 Ca -0.05 -1.19 -0.17 0.00 -0.02 0.00 0.00 57.16 55.73 3gx1 n GLU 569 Cb 0.62 -1.04 0.09 0.00 -0.02 0.00 0.00 31.44 31.09 3gx1 n GLU 569 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3gx1 n SER 570 N -0.16 0.88 0.00 1.62 3.41 -1.26 -5.00 113.62 113.11 3gx1 n SER 570 Ca 0.02 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 3gx1 n SER 570 Cb 0.18 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3gx1 n SER 570 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gx1 n GLY 571 N -0.62 -1.41 3.03 5.00 0.00 -1.26 -4.92 105.19 105.01 3gx1 n GLY 571 Ca 0.12 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 3gx1 n GLY 571 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gx1 s ILE 572 N -1.36 1.16 -0.22 -0.61 1.09 -0.35 -5.03 121.20 115.88 3gx1 s ILE 572 Ca 0.00 -0.49 -0.14 0.00 -1.10 0.00 0.00 60.65 58.92 3gx1 s ILE 572 Cb 0.00 -1.05 -0.04 0.00 -1.06 0.00 0.00 42.46 40.30 3gx1 s ILE 572 CO 0.00 0.36 0.31 0.00 -0.10 0.00 0.00 174.94 175.51 3gx1 s ALA 573 N 0.64 3.58 -0.21 9.38 0.00 -1.26 -1.09 121.76 132.80 3gx1 s ALA 573 Ca -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3gx1 s ALA 573 Cb -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.45 3gx1 s ALA 573 CO 0.04 -0.29 -0.14 -0.51 0.00 0.00 0.00 175.76 174.86 3gx1 s LEU 574 N 1.28 2.62 0.00 0.00 1.43 -0.26 -4.83 118.68 118.91 3gx1 s LEU 574 Ca 0.15 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3gx1 s LEU 574 Cb -0.14 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3gx1 s LEU 574 CO 0.07 -0.05 0.00 0.47 0.23 0.00 0.00 176.35 177.06 3gx1 n ASP 575 N 4.62 0.00 -3.58 2.29 8.00 -1.26 -4.75 116.55 121.87 3gx1 n ASP 575 Ca -0.19 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.26 3gx1 n ASP 575 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3gx1 n ASP 575 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3gx1 s PRO 577 N 2.58 1.58 0.51 -0.24 0.04 -1.11 -4.95 135.00 133.40 3gx1 s PRO 577 Ca 0.00 -0.93 0.27 0.00 0.04 0.00 0.00 61.00 60.38 3gx1 s PRO 577 Cb 0.00 0.50 1.36 0.00 0.04 0.00 0.00 34.50 36.41 3gx1 s PRO 577 CO 0.00 -0.73 2.03 -0.07 0.04 0.00 0.00 177.00 178.27 3gx1 h LEU 578 N 2.00 0.00 0.00 -3.56 -0.00 -2.00 -2.21 115.31 109.54 3gx1 h LEU 578 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 3gx1 h LEU 578 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 3gx1 h LEU 578 CO 0.29 0.14 0.00 0.35 -0.00 0.00 0.00 178.44 179.22 3gx1 n THR 579 N -3.61 0.18 -4.51 0.22 -2.24 -1.26 -4.72 114.28 98.35 3gx1 n THR 579 Ca -0.02 0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 3gx1 n THR 579 Cb 0.27 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 67.70 3gx1 n THR 579 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gx1 s VAL 580 N -2.37 3.42 0.45 2.28 1.01 -0.83 -5.11 120.40 119.24 3gx1 s VAL 580 Ca 0.27 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3gx1 s VAL 580 Cb 0.16 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 3gx1 s VAL 580 CO 0.33 0.50 1.01 -1.61 0.00 0.00 0.00 175.10 175.32 3gx1 s GLU 581 N 0.52 4.00 0.21 2.72 0.41 -1.26 -4.79 118.70 120.51 3gx1 s GLU 581 Ca -0.06 1.30 -0.13 0.00 -0.41 0.00 0.00 54.97 55.67 3gx1 s GLU 581 Cb -0.15 -2.19 0.24 0.00 -1.78 0.00 0.00 34.13 30.25 3gx1 s GLU 581 CO 0.03 -0.25 1.64 0.28 -0.49 0.00 0.00 175.26 176.48 3gx1 h VAL 582 N 1.78 0.43 -0.71 2.63 2.07 -1.98 -0.76 116.25 119.70 3gx1 h VAL 582 Ca -0.49 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3gx1 h VAL 582 Cb 1.21 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3gx1 h VAL 582 CO 0.60 0.01 0.37 0.50 0.02 0.00 0.00 177.57 179.06 3gx1 h LYS 583 N 0.04 0.99 -1.61 1.57 3.64 -2.04 -0.94 116.57 118.21 3gx1 h LYS 583 Ca 0.30 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3gx1 h LYS 583 Cb 0.47 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3gx1 h LYS 583 CO -0.59 0.75 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 3gx1 n ALA 584 N -2.43 2.01 0.00 5.00 0.00 -0.29 -1.54 120.51 123.25 3gx1 n ALA 584 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3gx1 n ALA 584 Cb 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3gx1 n ALA 584 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3gx1 n TYR 586 N 0.89 0.00 -0.26 0.00 9.36 -0.36 -1.75 117.16 125.04 3gx1 n TYR 586 Ca 0.00 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.29 3gx1 n TYR 586 Cb 0.22 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.13 3gx1 n TYR 586 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3gx1 h GLU 587 N 0.00 0.23 0.00 2.98 4.39 -1.54 -0.29 114.58 120.35 3gx1 h GLU 587 Ca 0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3gx1 h GLU 587 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3gx1 h GLU 587 CO 0.00 0.15 -0.66 1.57 -1.16 0.00 0.00 179.01 178.91 3gx1 h LYS 588 N 0.24 0.00 0.70 2.33 2.10 -1.61 -0.08 116.57 120.25 3gx1 h LYS 588 Ca 0.44 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.05 3gx1 h LYS 588 Cb 0.78 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.11 3gx1 h LYS 588 CO -0.55 0.18 -0.34 1.25 -2.00 0.00 0.00 179.45 177.99 3gx1 h LEU 589 N 0.00 -0.79 -0.87 7.07 5.85 -1.69 0.27 115.31 125.14 3gx1 h LEU 589 Ca -0.03 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.85 3gx1 h LEU 589 Cb 1.20 0.21 -0.15 0.00 0.37 0.00 0.00 40.66 42.29 3gx1 h LEU 589 CO 0.02 -0.43 -0.33 0.50 -0.34 0.00 0.00 178.44 177.87 3gx1 h LYS 590 N -1.20 -0.04 -0.21 1.25 3.64 -0.78 0.38 116.57 119.62 3gx1 h LYS 590 Ca -0.10 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3gx1 h LYS 590 Cb 0.74 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3gx1 h LYS 590 CO 0.16 -0.02 -0.06 0.37 -2.27 0.00 0.00 179.45 177.63 3gx1 h GLN 591 N -0.04 0.40 -0.74 1.90 4.15 -0.83 -1.65 115.11 118.30 3gx1 h GLN 591 Ca 0.35 -0.16 0.16 0.00 0.77 0.00 0.00 58.65 59.77 3gx1 h GLN 591 Cb 0.61 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.16 3gx1 h GLN 591 CO -0.90 0.65 0.16 1.15 -1.93 0.00 0.00 178.83 177.97 3gx1 h THR 592 N 0.12 0.49 -0.03 2.39 2.02 0.76 -1.96 112.91 116.69 3gx1 h THR 592 Ca 0.05 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 3gx1 h THR 592 Cb 0.51 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3gx1 h THR 592 CO 0.02 0.04 -0.34 0.58 0.37 0.00 0.00 175.52 176.20 3gx1 h VAL 593 N 0.25 1.47 -0.48 3.16 2.07 0.03 -1.31 116.25 121.43 3gx1 h VAL 593 Ca 0.42 -1.86 0.10 0.00 0.82 0.00 0.00 66.70 66.18 3gx1 h VAL 593 Cb 0.73 2.53 -0.10 0.00 -1.52 0.00 0.00 31.29 32.93 3gx1 h VAL 593 CO -0.53 0.52 -0.21 0.58 0.02 0.00 0.00 177.57 177.96 3gx1 h VAL 594 N -0.28 0.37 0.00 2.57 2.07 -1.17 -1.33 116.25 118.48 3gx1 h VAL 594 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3gx1 h VAL 594 Cb 1.03 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3gx1 h VAL 594 CO 0.07 0.00 -0.14 0.11 0.02 0.00 0.00 177.57 177.63 3gx1 h LYS 595 N -0.10 0.00 0.00 1.57 1.57 -1.11 -2.47 116.57 116.03 3gx1 h LYS 595 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3gx1 h LYS 595 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3gx1 h LYS 595 CO -0.55 0.14 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.37 3gx1 h LEU 596 N 0.00 0.00 -1.63 2.94 3.38 -0.06 -3.47 115.31 116.47 3gx1 h LEU 596 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3gx1 h LEU 596 Cb 0.24 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.15 3gx1 h LEU 596 CO 0.02 0.03 -0.71 -3.20 0.09 0.00 0.00 178.44 174.66 3gx1 n ASN 597 N -3.12 -2.28 -4.66 -0.43 5.15 -0.93 -4.88 115.26 104.11 3gx1 n ASN 597 Ca 0.01 -0.57 -0.42 0.00 -0.60 0.00 0.00 54.58 53.00 3gx1 n ASN 597 Cb 0.37 -4.82 -0.03 0.00 -0.53 0.00 0.00 39.78 34.78 3gx1 n ASN 597 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gx1 s PRO 598 N -5.33 4.17 0.00 1.20 0.04 -1.26 -4.90 135.00 128.92 3gx1 s PRO 598 Ca 0.03 2.38 0.25 0.00 0.04 0.00 0.00 61.00 63.70 3gx1 s PRO 598 Cb -0.01 -4.00 0.43 0.00 0.04 0.00 0.00 34.50 30.96 3gx1 s PRO 598 CO 0.68 -0.88 1.36 1.33 0.04 0.00 0.00 177.00 179.54 3gx1 n VAL 599 N 5.40 0.00 -2.03 -0.36 0.24 -1.26 -4.35 118.33 115.98 3gx1 n VAL 599 Ca 0.18 -0.04 0.05 0.00 -2.04 0.00 0.00 64.34 62.49 3gx1 n VAL 599 Cb 0.42 0.44 0.11 0.00 -1.47 0.00 0.00 33.84 33.34 3gx1 n VAL 599 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3gx1 n LYS 600 N -1.24 0.80 0.00 7.34 4.76 -1.26 -5.09 118.16 123.47 3gx1 n LYS 600 Ca 0.07 -2.63 0.00 0.00 -2.87 0.00 0.00 58.31 52.88 3gx1 n LYS 600 Cb 0.34 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 3gx1 n LYS 600 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gx1 n GLY 601 N -0.33 -1.60 3.05 0.72 0.00 -1.26 -4.43 105.19 101.33 3gx1 n GLY 601 Ca 0.12 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 3gx1 n GLY 601 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gx1 s VAL 602 N -2.37 1.13 -0.26 1.61 1.01 -0.15 -2.53 120.40 118.83 3gx1 s VAL 602 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3gx1 s VAL 602 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3gx1 s VAL 602 CO 0.00 0.34 -0.01 -0.22 0.00 0.00 0.00 175.10 175.21 3gx1 s LEU 603 N 0.32 3.40 -0.21 3.92 2.96 0.24 -2.08 118.68 127.22 3gx1 s LEU 603 Ca -0.08 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 3gx1 s LEU 603 Cb -0.12 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3gx1 s LEU 603 CO 0.02 -0.14 0.34 -0.63 -1.32 0.00 0.00 176.35 174.63 3gx1 s ILE 604 N 1.40 5.24 -0.27 6.68 1.01 -0.22 -0.58 121.20 134.45 3gx1 s ILE 604 Ca 0.02 0.58 -0.07 0.00 0.00 0.00 0.00 60.65 61.18 3gx1 s ILE 604 Cb -0.17 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3gx1 s ILE 604 CO -0.02 0.27 0.07 -0.76 0.00 0.00 0.00 174.94 174.50 3gx1 s LEU 605 N 1.26 3.62 0.13 2.97 1.43 0.75 -1.11 118.68 127.73 3gx1 s LEU 605 Ca 0.16 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3gx1 s LEU 605 Cb -0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3gx1 s LEU 605 CO 0.07 -0.12 -0.01 -0.94 0.23 0.00 0.00 176.35 175.59 3gx1 s SER 606 N 1.55 0.87 -0.16 2.29 1.04 -0.03 -4.22 113.70 115.03 3gx1 s SER 606 Ca 0.05 -1.11 -0.12 0.00 0.48 0.00 0.00 55.95 55.24 3gx1 s SER 606 Cb -0.16 0.17 -0.06 0.00 0.10 0.00 0.00 66.02 66.07 3gx1 s SER 606 CO 0.03 -0.59 -0.16 -0.90 0.98 0.00 0.00 173.24 172.60 3gx1 n ASP 607 N -0.10 1.84 0.00 7.02 5.68 -1.26 -1.73 116.55 128.00 3gx1 n ASP 607 Ca -0.09 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.75 3gx1 n ASP 607 Cb 0.62 -0.86 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 3gx1 n ASP 607 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gx1 n GLY 609 N 1.55 0.56 0.33 6.12 0.00 -1.26 -4.50 105.19 107.99 3gx1 n GLY 609 Ca -0.13 -0.87 0.22 0.00 0.00 0.00 0.00 46.02 45.24 3gx1 n GLY 609 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gx1 h SER 610 N 2.07 0.00 -0.23 1.61 0.02 -2.02 -1.33 113.55 113.66 3gx1 h SER 610 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3gx1 h SER 610 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3gx1 h SER 610 CO 0.00 0.00 0.07 -0.07 -1.14 0.00 0.00 176.83 175.69 3gx1 h LEU 611 N 0.00 0.41 -2.22 5.07 3.38 -2.00 0.66 115.31 120.61 3gx1 h LEU 611 Ca -0.00 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3gx1 h LEU 611 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3gx1 h LEU 611 CO 0.00 0.43 0.20 0.71 0.09 0.00 0.00 178.44 179.87 3gx1 h THR 612 N 0.45 0.47 -0.01 0.22 1.35 -1.63 -2.63 112.91 111.13 3gx1 h THR 612 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3gx1 h THR 612 Cb 0.19 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3gx1 h THR 612 CO -0.00 0.00 -0.54 -1.54 -0.25 0.00 0.00 175.52 173.19 3gx1 n SER 613 N -3.81 1.33 -0.30 5.36 3.41 0.21 -4.44 113.62 115.39 3gx1 n SER 613 Ca 0.02 -1.17 0.14 0.00 -0.26 0.00 0.00 58.87 57.60 3gx1 n SER 613 Cb 0.33 0.69 0.32 0.00 -0.26 0.00 0.00 64.21 65.28 3gx1 n SER 613 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3gx1 h PHE 614 N 1.14 0.49 -0.33 7.33 -1.00 -1.33 -1.68 116.94 121.56 3gx1 h PHE 614 Ca 0.00 0.05 0.06 0.00 2.81 0.00 0.00 57.97 60.89 3gx1 h PHE 614 Cb 0.51 -0.07 -0.08 0.00 3.61 0.00 0.00 35.95 39.92 3gx1 h PHE 614 CO 0.00 -0.17 -0.41 0.78 -1.61 0.00 0.00 178.31 176.89 3gx1 h GLY 615 N 0.26 -0.56 0.73 -1.45 0.00 -1.78 0.85 103.07 101.12 3gx1 h GLY 615 Ca 0.58 0.52 0.05 0.00 0.00 0.00 0.00 47.33 48.48 3gx1 h GLY 615 CO -0.62 -0.20 0.41 3.43 0.00 0.00 0.00 176.54 179.56 3gx1 h ASN 616 N -0.36 0.63 -0.27 0.19 2.35 -1.61 -2.43 115.58 114.07 3gx1 h ASN 616 Ca 0.12 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3gx1 h ASN 616 Cb 0.59 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3gx1 h ASN 616 CO -0.52 0.41 0.10 0.40 -1.65 0.00 0.00 177.43 176.18 3gx1 h ILE 617 N 0.76 1.18 -0.42 2.81 2.04 -1.01 -2.08 117.51 120.80 3gx1 h ILE 617 Ca 0.31 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3gx1 h ILE 617 Cb 0.15 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3gx1 h ILE 617 CO -0.17 0.19 0.25 0.25 0.00 0.00 0.00 178.15 178.67 3gx1 h LEU 618 N 0.29 0.51 0.25 1.44 5.85 -0.73 0.23 115.31 123.14 3gx1 h LEU 618 Ca 0.09 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3gx1 h LEU 618 Cb 0.19 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3gx1 h LEU 618 CO -0.01 0.43 -0.19 0.74 -0.34 0.00 0.00 178.44 179.07 3gx1 h THR 619 N 0.55 0.58 -0.33 1.05 2.02 -1.43 0.23 112.91 115.58 3gx1 h THR 619 Ca 0.15 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.40 3gx1 h THR 619 Cb 0.01 0.58 -0.08 0.00 -1.74 0.00 0.00 68.15 66.93 3gx1 h THR 619 CO -0.03 0.00 -0.21 -0.08 0.37 0.00 0.00 175.52 175.58 3gx1 h GLU 620 N -0.45 -0.16 -0.40 6.66 4.22 -1.17 0.88 114.58 124.16 3gx1 h GLU 620 Ca -0.01 0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 3gx1 h GLU 620 Cb 0.40 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3gx1 h GLU 620 CO -0.01 -0.11 -0.25 1.49 -2.18 0.00 0.00 179.01 177.95 3gx1 h GLU 621 N -0.17 0.84 0.00 1.92 4.81 -0.36 -3.37 114.58 118.26 3gx1 h GLU 621 Ca 0.17 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3gx1 h GLU 621 Cb 0.43 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3gx1 h GLU 621 CO -0.43 1.00 0.00 1.47 -0.73 0.00 0.00 179.01 180.31 3gx1 n LEU 622 N -4.10 0.81 -1.57 1.64 -0.00 0.78 -5.02 117.00 109.54 3gx1 n LEU 622 Ca -0.00 -0.81 -0.10 0.00 -0.00 0.00 0.00 56.01 55.09 3gx1 n LEU 622 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.90 3gx1 n LEU 622 CO 0.46 0.20 0.04 0.61 -0.00 0.00 0.00 177.39 178.70 3gx1 n GLY 623 N -0.16 0.22 3.46 1.47 0.00 0.30 -5.00 105.19 105.49 3gx1 n GLY 623 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3gx1 n GLY 623 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gx1 s ILE 624 N -2.92 3.33 -0.14 -0.61 1.01 -1.25 -5.05 121.20 115.57 3gx1 s ILE 624 Ca 0.17 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 3gx1 s ILE 624 Cb -0.08 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3gx1 s ILE 624 CO 0.21 0.55 1.03 -0.60 0.00 0.00 0.00 174.94 176.14 3gx1 s ARG 625 N -0.18 4.36 0.12 2.79 3.52 -1.26 -4.04 118.95 124.26 3gx1 s ARG 625 Ca 0.01 1.41 0.06 0.00 -0.13 0.00 0.00 55.73 57.07 3gx1 s ARG 625 Cb -0.13 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 3gx1 s ARG 625 CO 0.03 -0.43 -0.14 0.95 -0.81 0.00 0.00 175.30 174.90 3gx1 s THR 626 N 2.42 1.30 0.12 4.11 -4.23 -1.26 -0.98 115.64 117.13 3gx1 s THR 626 Ca 0.48 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3gx1 s THR 626 Cb -0.18 -1.50 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 3gx1 s THR 626 CO 0.14 -0.41 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.17 3gx1 s LYS 627 N -2.62 0.95 -0.11 3.99 -0.14 -0.89 -4.95 119.74 115.97 3gx1 s LYS 627 Ca 0.08 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.45 3gx1 s LYS 627 Cb -0.05 -0.63 0.01 0.00 -1.68 0.00 0.00 37.83 35.48 3gx1 s LYS 627 CO 0.03 0.10 -0.19 0.99 -0.76 0.00 0.00 175.35 175.51 3gx1 s THR 628 N -2.68 1.77 -0.06 2.17 2.01 -1.26 -1.06 115.64 116.52 3gx1 s THR 628 Ca 0.10 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3gx1 s THR 628 Cb -0.01 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 3gx1 s THR 628 CO 0.01 0.49 0.05 -0.69 -0.69 0.00 0.00 174.62 173.79 3gx1 s VAL 629 N 0.77 4.65 -0.75 3.82 1.01 -0.26 -5.01 120.40 124.63 3gx1 s VAL 629 Ca -0.10 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3gx1 s VAL 629 Cb -0.16 -3.03 0.18 0.00 0.00 0.00 0.00 36.38 33.38 3gx1 s VAL 629 CO 0.01 0.52 0.57 0.42 0.00 0.00 0.00 175.10 176.63 3gx1 s THR 630 N -1.01 3.45 -0.28 3.92 -4.23 -1.24 -0.86 115.64 115.40 3gx1 s THR 630 Ca 0.17 -3.97 -0.25 0.00 -1.18 0.00 0.00 61.69 56.46 3gx1 s THR 630 Cb -0.12 -3.22 0.10 0.00 1.34 0.00 0.00 72.50 70.60 3gx1 s THR 630 CO 0.06 -1.01 0.87 -0.69 -0.54 0.00 0.00 174.62 173.32 3gx1 s VAL 632 N -1.24 0.00 0.11 2.29 1.01 -0.70 -4.89 120.40 116.98 3gx1 s VAL 632 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3gx1 s VAL 632 Cb -0.08 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3gx1 s VAL 632 CO -0.13 0.00 -0.09 -0.55 0.00 0.00 0.00 175.10 174.33 3gx1 s SER 633 N 0.34 1.47 0.24 3.32 0.15 -1.26 -4.82 113.70 113.13 3gx1 s SER 633 Ca 0.01 -0.94 -0.07 0.00 0.70 0.00 0.00 55.95 55.65 3gx1 s SER 633 Cb -0.05 0.03 0.41 0.00 -1.71 0.00 0.00 66.02 64.70 3gx1 s SER 633 CO -0.03 -0.35 1.66 0.74 1.20 0.00 0.00 173.24 176.47 3gx1 h THR 634 N 3.11 0.46 -0.92 6.45 2.02 -2.01 -0.62 112.91 121.40 3gx1 h THR 634 Ca -0.36 -0.06 0.16 0.00 0.77 0.00 0.00 66.41 66.92 3gx1 h THR 634 Cb 1.18 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3gx1 h THR 634 CO 0.60 0.03 0.59 1.55 0.37 0.00 0.00 175.52 178.66 3gx1 h PRO 635 N 0.18 0.66 0.03 6.66 0.13 -1.99 0.24 132.00 137.90 3gx1 h PRO 635 Ca 0.39 -0.04 -0.24 0.00 -0.87 0.00 0.00 66.00 65.24 3gx1 h PRO 635 Cb 0.67 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.66 3gx1 h PRO 635 CO -0.56 0.43 -1.01 -0.39 -0.23 0.00 0.00 178.00 176.24 3gx1 h VAL 636 N 0.68 1.39 -0.70 1.56 -1.51 -1.52 0.11 116.25 116.25 3gx1 h VAL 636 Ca 0.48 -2.50 0.04 0.00 -1.23 0.00 0.00 66.70 63.49 3gx1 h VAL 636 Cb 0.81 2.50 -0.04 0.00 -2.13 0.00 0.00 31.29 32.43 3gx1 h VAL 636 CO -0.23 0.75 0.46 0.58 -1.23 0.00 0.00 177.57 177.89 3gx1 h VAL 637 N 0.23 1.08 0.60 7.19 2.07 -0.94 0.32 116.25 126.80 3gx1 h VAL 637 Ca -0.10 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3gx1 h VAL 637 Cb 1.66 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3gx1 h VAL 637 CO 0.18 0.15 -0.29 0.25 0.02 0.00 0.00 177.57 177.88 3gx1 h LEU 638 N 0.80 -0.68 -0.26 2.57 5.85 -0.37 -3.20 115.31 120.02 3gx1 h LEU 638 Ca 0.29 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.08 3gx1 h LEU 638 Cb 0.12 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3gx1 h LEU 638 CO -0.08 -0.38 -0.43 -0.08 -0.34 0.00 0.00 178.44 177.13 3gx1 h GLU 639 N -1.02 -0.40 0.00 1.25 4.57 -0.71 -1.13 114.58 117.14 3gx1 h GLU 639 Ca -0.08 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3gx1 h GLU 639 Cb 0.61 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3gx1 h GLU 639 CO 0.13 -0.27 0.00 0.00 -1.18 0.00 0.00 179.01 177.70 3gx1 n ALA 640 N -3.00 0.36 0.00 2.92 0.00 0.11 -1.46 120.51 119.45 3gx1 n ALA 640 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3gx1 n ALA 640 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3gx1 n ALA 640 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gx1 n ARG 642 N 0.01 0.00 0.06 0.00 0.63 -0.43 -2.10 116.66 114.83 3gx1 n ARG 642 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 3gx1 n ARG 642 Cb 0.00 0.00 0.37 0.00 0.45 0.00 0.00 32.46 33.28 3gx1 n ARG 642 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3gx1 h LYS 643 N 0.00 0.39 -0.47 -0.14 1.79 -1.50 -1.95 116.57 114.69 3gx1 h LYS 643 Ca 0.00 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 3gx1 h LYS 643 Cb 0.00 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3gx1 h LYS 643 CO 0.00 0.43 -0.25 0.00 -1.08 0.00 0.00 179.45 178.55 3gx1 h ALA 644 N 1.62 0.66 -0.71 3.86 0.00 -1.66 -1.85 119.26 121.18 3gx1 h ALA 644 Ca 0.09 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.67 3gx1 h ALA 644 Cb 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3gx1 h ALA 644 CO 0.01 0.68 0.47 1.03 0.00 0.00 0.00 179.25 181.44 3gx1 h SER 645 N 0.85 0.58 0.57 0.00 0.87 -1.70 -1.13 113.55 113.59 3gx1 h SER 645 Ca 0.10 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3gx1 h SER 645 Cb 0.84 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3gx1 h SER 645 CO 0.07 0.36 0.00 0.18 -0.53 0.00 0.00 176.83 176.91 3gx1 n LEU 646 N -4.49 0.00 -0.02 2.23 4.77 -0.75 -4.91 117.00 113.83 3gx1 n LEU 646 Ca 0.11 0.40 -0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3gx1 n LEU 646 Cb 0.30 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3gx1 n LEU 646 CO 0.33 -0.11 -0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3gx1 n GLY 647 N 0.62 0.39 3.79 -0.72 0.00 -0.43 -5.06 105.19 103.78 3gx1 n GLY 647 Ca 0.08 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 3gx1 n GLY 647 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gx1 s ARG 648 N -2.66 3.21 0.68 1.61 1.81 -0.88 -4.97 118.95 117.74 3gx1 s ARG 648 Ca 0.00 1.32 -0.13 0.00 -1.72 0.00 0.00 55.73 55.21 3gx1 s ARG 648 Cb 0.00 -2.01 0.00 0.00 -0.45 0.00 0.00 34.95 32.49 3gx1 s ARG 648 CO 0.00 -0.92 1.07 0.20 -0.68 0.00 0.00 175.30 174.98 3gx1 s GLY 649 N -2.53 1.87 0.17 -3.53 0.00 -1.26 -4.56 107.32 97.49 3gx1 s GLY 649 Ca 0.66 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 45.40 3gx1 s GLY 649 CO 0.36 0.61 1.55 -2.00 0.00 0.00 0.00 173.10 173.62 3gx1 h LEU 650 N -0.36 -1.73 -0.07 0.66 5.85 -1.95 -0.96 115.31 116.76 3gx1 h LEU 650 Ca -0.45 0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3gx1 h LEU 650 Cb 1.22 0.79 -0.06 0.00 0.37 0.00 0.00 40.66 42.98 3gx1 h LEU 650 CO 0.55 -0.31 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.72 3gx1 h GLU 651 N -0.15 -0.40 -0.85 1.25 4.39 -1.95 0.15 114.58 117.04 3gx1 h GLU 651 Ca 0.19 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.93 3gx1 h GLU 651 Cb 0.53 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 3gx1 h GLU 651 CO -0.80 -0.26 0.56 0.22 -1.16 0.00 0.00 179.01 177.57 3gx1 h ASP 652 N -0.41 0.96 -0.29 1.42 3.58 -1.90 -1.25 116.42 118.53 3gx1 h ASP 652 Ca 0.08 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 3gx1 h ASP 652 Cb 0.53 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3gx1 h ASP 652 CO -0.30 0.69 -0.17 0.40 -2.88 0.00 0.00 179.24 176.98 3gx1 h ILE 653 N 1.13 1.30 -0.28 2.25 2.04 -0.48 -1.50 117.51 121.97 3gx1 h ILE 653 Ca 0.31 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.93 3gx1 h ILE 653 Cb -0.10 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3gx1 h ILE 653 CO -0.07 0.41 0.08 0.22 0.00 0.00 0.00 178.15 178.79 3gx1 h TYR 654 N 0.36 0.15 0.00 1.37 3.20 -0.23 0.24 116.97 122.07 3gx1 h TYR 654 Ca 0.06 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3gx1 h TYR 654 Cb 0.70 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 3gx1 h TYR 654 CO 0.06 0.06 -0.10 1.96 -1.64 0.00 0.00 178.16 178.51 3gx1 h GLN 655 N 0.20 0.00 -0.05 1.82 7.50 -1.21 0.12 115.11 123.50 3gx1 h GLN 655 Ca 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 3gx1 h GLN 655 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.63 3gx1 h GLN 655 CO -0.14 0.10 -0.02 0.77 -1.50 0.00 0.00 178.83 178.04 3gx1 h SER 656 N 0.00 0.10 -0.27 1.46 0.02 0.51 0.27 113.55 115.63 3gx1 h SER 656 Ca -0.00 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3gx1 h SER 656 Cb 0.40 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3gx1 h SER 656 CO 0.01 0.49 0.15 0.00 -1.14 0.00 0.00 176.83 176.35 3gx1 h GLU 658 N 0.33 0.31 0.00 0.00 4.39 -0.75 -1.34 114.58 117.52 3gx1 h GLU 658 Ca 0.10 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3gx1 h GLU 658 Cb 0.06 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3gx1 h GLU 658 CO -0.02 0.20 -0.00 1.96 -1.16 0.00 0.00 179.01 179.99 3gx1 h GLN 659 N 0.32 0.00 -0.26 2.33 1.08 -0.46 -2.13 115.11 115.99 3gx1 h GLN 659 Ca 0.31 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 3gx1 h GLN 659 Cb 0.43 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3gx1 h GLN 659 CO -0.36 0.00 0.13 -0.07 -0.95 0.00 0.00 178.83 177.58 3gx1 h LEU 660 N 0.00 0.34 -0.68 1.46 3.38 -1.01 0.32 115.31 119.12 3gx1 h LEU 660 Ca -0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3gx1 h LEU 660 Cb 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3gx1 h LEU 660 CO 0.00 0.37 0.42 -0.26 0.09 0.00 0.00 178.44 179.06 3gx1 h PHE 661 N 0.29 0.89 -0.15 1.13 -1.00 -1.49 0.39 116.94 117.01 3gx1 h PHE 661 Ca 0.09 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.91 3gx1 h PHE 661 Cb 0.11 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.34 3gx1 h PHE 661 CO -0.02 0.60 -0.08 1.49 -1.61 0.00 0.00 178.31 178.69 3gx1 h GLU 662 N 0.93 -0.06 0.00 1.51 4.57 -1.36 -1.30 114.58 118.87 3gx1 h GLU 662 Ca 0.25 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 3gx1 h GLU 662 Cb -0.04 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3gx1 h GLU 662 CO -0.05 -0.04 -0.15 -0.91 -1.18 0.00 0.00 179.01 176.68 3gx1 h ASN 663 N -0.07 0.00 0.06 1.04 4.21 -0.34 -2.33 115.58 118.15 3gx1 h ASN 663 Ca 0.08 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.59 3gx1 h ASN 663 Cb 0.19 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 3gx1 h ASN 663 CO -0.19 0.15 -0.04 0.50 -1.29 0.00 0.00 177.43 176.56 3gx1 h LYS 664 N 0.00 -0.09 0.00 0.81 3.64 0.22 -3.51 116.57 117.64 3gx1 h LYS 664 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gx1 h LYS 664 Cb 0.72 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3gx1 h LYS 664 CO 0.02 -0.06 0.00 0.98 -2.27 0.00 0.00 179.45 178.12