#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gx1 s ASN 540 N 0.00 6.16 0.00 4.04 0.01 -1.26 -4.82 114.94 119.07 3gx1 s ASN 540 Ca 0.00 -0.92 0.22 0.00 -0.71 0.00 0.00 52.86 51.45 3gx1 s ASN 540 Cb 0.00 -2.20 0.51 0.00 0.41 0.00 0.00 41.25 39.97 3gx1 s ASN 540 CO 0.00 -0.58 1.44 0.00 -1.51 0.00 0.00 177.10 176.45 3gx1 n ALA 541 N 5.42 2.44 -2.73 0.60 0.00 -1.26 -4.76 120.51 120.21 3gx1 n ALA 541 Ca -0.10 -0.90 -0.17 0.00 0.00 0.00 0.00 53.44 52.27 3gx1 n ALA 541 Cb 0.46 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 18.86 3gx1 n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gx1 s GLN 542 N -1.52 0.77 0.19 0.00 -0.21 -1.26 -4.55 119.66 113.08 3gx1 s GLN 542 Ca 0.38 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 3gx1 s GLN 542 Cb 0.21 -0.74 -0.09 0.00 1.00 0.00 0.00 33.01 33.40 3gx1 s GLN 542 CO 0.30 0.16 1.30 0.08 -2.12 0.00 0.00 175.29 175.01 3gx1 s VAL 543 N -1.31 3.26 -0.07 1.09 1.01 -1.26 -4.35 120.40 118.77 3gx1 s VAL 543 Ca -0.03 1.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.74 3gx1 s VAL 543 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3gx1 s VAL 543 CO 0.02 0.15 0.71 -1.61 0.00 0.00 0.00 175.10 174.37 3gx1 s GLU 544 N -0.03 4.44 -0.23 2.72 0.41 -0.89 -4.85 118.70 120.26 3gx1 s GLU 544 Ca 0.57 0.89 -0.05 0.00 -0.41 0.00 0.00 54.97 55.97 3gx1 s GLU 544 Cb -0.36 -3.45 -0.02 0.00 -1.78 0.00 0.00 34.13 28.52 3gx1 s GLU 544 CO 0.37 0.06 0.01 0.08 -0.49 0.00 0.00 175.26 175.29 3gx1 s VAL 545 N 0.82 3.78 -0.11 2.63 1.01 -1.26 -0.51 120.40 126.76 3gx1 s VAL 545 Ca 0.38 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3gx1 s VAL 545 Cb -0.18 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3gx1 s VAL 545 CO 0.18 0.39 -0.23 -0.63 0.00 0.00 0.00 175.10 174.81 3gx1 s ILE 546 N 1.52 2.08 0.43 2.22 1.01 0.20 -0.75 121.20 127.91 3gx1 s ILE 546 Ca 0.06 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.77 3gx1 s ILE 546 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3gx1 s ILE 546 CO -0.00 0.56 0.23 -0.69 0.00 0.00 0.00 174.94 175.04 3gx1 s VAL 547 N 0.43 2.23 0.47 2.92 1.01 0.43 0.86 120.40 128.74 3gx1 s VAL 547 Ca -0.17 -1.63 -0.21 0.00 0.00 0.00 0.00 61.98 59.98 3gx1 s VAL 547 Cb -0.18 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 3gx1 s VAL 547 CO 0.07 0.00 1.02 -1.00 0.00 0.00 0.00 175.10 175.19 3gx1 s HIS 550 N -2.61 3.07 0.00 5.22 3.76 -1.26 -0.61 115.29 122.85 3gx1 s HIS 550 Ca 0.40 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.90 3gx1 s HIS 550 Cb 0.02 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.68 3gx1 s HIS 550 CO 0.22 -0.68 0.00 0.41 -0.85 0.00 0.00 174.74 173.84 3gx1 n GLY 551 N -0.28 1.54 0.15 -2.22 0.00 -1.26 -4.56 105.19 98.55 3gx1 n GLY 551 Ca 0.09 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 0.24 0.00 1.61 3.08 -1.95 -3.04 114.38 114.33 3gx1 h ARG 552 Ca 0.00 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 3gx1 h ARG 552 Cb 0.00 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.01 3gx1 h ARG 552 CO 0.00 0.88 -0.40 -1.13 -1.07 0.00 0.00 179.97 178.25 3gx1 n SER 553 N -3.77 0.02 -0.01 7.04 3.41 -1.26 -4.85 113.62 114.19 3gx1 n SER 553 Ca -0.03 -1.68 -0.13 0.00 -0.26 0.00 0.00 58.87 56.77 3gx1 n SER 553 Cb 0.71 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 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 6.08 1.29 -0.34 6.66 2.02 -1.80 -1.28 112.91 125.54 3gx1 h THR 554 Ca -0.12 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 3gx1 h THR 554 Cb 1.36 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3gx1 h THR 554 CO -0.02 0.24 0.03 0.00 0.37 0.00 0.00 175.52 176.14 3gx1 h ALA 555 N 0.66 0.45 -0.30 6.16 0.00 -1.87 -3.14 119.26 121.21 3gx1 h ALA 555 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gx1 h ALA 555 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gx1 h ALA 555 CO 0.00 0.17 0.19 1.15 0.00 0.00 0.00 179.25 180.77 3gx1 h THR 556 N 0.39 1.09 0.00 0.00 2.02 -1.88 -0.72 112.91 113.81 3gx1 h THR 556 Ca 0.10 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3gx1 h THR 556 Cb 0.39 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3gx1 h THR 556 CO 0.01 0.09 0.00 -0.24 0.37 0.00 0.00 175.52 175.75 3gx1 n SER 557 N -4.86 0.68 0.00 4.18 2.88 -0.49 -0.12 113.62 115.89 3gx1 n SER 557 Ca -0.01 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 3gx1 n SER 557 Cb 0.04 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.59 0.00 -0.00 2.46 0.31 -0.28 -1.50 118.33 119.91 3gx1 n VAL 559 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 3gx1 n VAL 559 Cb 0.13 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 33.69 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 0.12 -0.05 5.55 5.08 -0.77 0.80 114.58 125.32 3gx1 h GLU 560 Ca 0.00 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3gx1 h GLU 560 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3gx1 h GLU 560 CO 0.00 0.08 -0.24 1.15 -1.00 0.00 0.00 179.01 179.00 3gx1 h THR 561 N 0.12 1.46 -0.36 1.13 2.02 -1.50 -2.86 112.91 112.92 3gx1 h THR 561 Ca 0.24 -1.70 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 3gx1 h THR 561 Cb 0.79 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 3gx1 h THR 561 CO -0.03 0.48 -0.04 0.58 0.37 0.00 0.00 175.52 176.88 3gx1 h VAL 562 N -0.31 1.22 -0.75 3.16 2.07 -1.61 -1.33 116.25 118.70 3gx1 h VAL 562 Ca -0.02 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3gx1 h VAL 562 Cb 0.90 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3gx1 h VAL 562 CO 0.05 0.31 0.38 1.56 0.02 0.00 0.00 177.57 179.89 3gx1 h GLN 563 N 0.55 1.06 -0.09 1.57 4.20 -0.90 -1.03 115.11 120.47 3gx1 h GLN 563 Ca 0.11 -0.13 -0.21 0.00 0.06 0.00 0.00 58.65 58.47 3gx1 h GLN 563 Cb 0.41 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.00 3gx1 h GLN 563 CO 0.02 0.80 -0.78 1.49 -0.67 0.00 0.00 178.83 179.69 3gx1 h GLU 564 N 1.06 0.68 -0.52 1.46 4.81 -1.24 -0.57 114.58 120.26 3gx1 h GLU 564 Ca 0.26 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3gx1 h GLU 564 Cb 0.07 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3gx1 h GLU 564 CO -0.04 1.22 0.28 -0.07 -0.73 0.00 0.00 179.01 179.68 3gx1 h LEU 565 N 0.36 0.62 -0.43 1.64 3.38 -0.92 -2.96 115.31 117.01 3gx1 h LEU 565 Ca -0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3gx1 h LEU 565 Cb 1.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3gx1 h LEU 565 CO 0.16 0.50 -0.74 0.18 0.09 0.00 0.00 178.44 178.63 3gx1 n LEU 566 N -4.41 1.40 -3.78 1.67 4.77 -0.42 -4.98 117.00 111.25 3gx1 n LEU 566 Ca 0.04 -0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 55.18 3gx1 n LEU 566 Cb 0.10 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3gx1 n LEU 566 CO 0.37 0.30 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.43 3gx1 n SER 567 N -0.85 -1.23 -4.38 -1.43 7.64 -0.27 -5.03 113.62 108.06 3gx1 n SER 567 Ca 0.06 -0.86 -0.22 0.00 1.01 0.00 0.00 58.87 58.86 3gx1 n SER 567 Cb 0.37 -3.80 -0.11 0.00 -1.01 0.00 0.00 64.21 59.67 3gx1 n SER 567 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3gx1 s ILE 568 N -3.71 2.03 -0.76 0.44 -4.36 -0.91 -5.05 121.20 108.88 3gx1 s ILE 568 Ca 0.06 -2.14 0.08 0.00 -0.26 0.00 0.00 60.65 58.39 3gx1 s ILE 568 Cb -0.03 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.63 3gx1 s ILE 568 CO 0.83 -0.39 0.57 -0.62 0.24 0.00 0.00 174.94 175.57 3gx1 n GLU 569 N -0.13 2.12 -1.18 0.37 1.02 -1.26 -4.60 120.64 116.98 3gx1 n GLU 569 Ca -0.10 -0.56 -0.29 0.00 -0.02 0.00 0.00 57.16 56.19 3gx1 n GLU 569 Cb 0.59 -1.03 0.24 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.26 -1.64 0.00 1.62 3.41 -1.26 -4.98 113.62 110.51 3gx1 n SER 570 Ca 0.03 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 3gx1 n SER 570 Cb 0.17 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 -4.38 -2.44 3.17 5.00 0.00 -1.26 -4.93 105.19 100.35 3gx1 n GLY 571 Ca 0.15 -1.17 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.62 1.49 -0.18 -0.61 1.09 0.07 -5.02 121.20 116.42 3gx1 s ILE 572 Ca 0.00 -0.78 -0.06 0.00 -1.10 0.00 0.00 60.65 58.71 3gx1 s ILE 572 Cb 0.00 -1.26 -0.03 0.00 -1.06 0.00 0.00 42.46 40.11 3gx1 s ILE 572 CO 0.00 0.42 0.01 0.00 -0.10 0.00 0.00 174.94 175.28 3gx1 s ALA 573 N -0.23 3.15 -0.22 9.38 0.00 -1.26 -0.43 121.76 132.15 3gx1 s ALA 573 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3gx1 s ALA 573 Cb -0.09 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.30 3gx1 s ALA 573 CO 0.01 0.04 -0.09 -0.51 0.00 0.00 0.00 175.76 175.21 3gx1 s LEU 574 N 0.65 2.50 0.00 0.00 1.43 0.22 -4.87 118.68 118.60 3gx1 s LEU 574 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 3gx1 s LEU 574 Cb -0.14 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3gx1 s LEU 574 CO 0.02 -0.17 0.00 0.47 0.23 0.00 0.00 176.35 176.90 3gx1 n ASP 575 N 4.65 0.00 -4.00 2.29 8.00 -1.26 -4.82 116.55 121.41 3gx1 n ASP 575 Ca -0.14 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.24 3gx1 n ASP 575 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 3gx1 n ASP 575 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3gx1 s PRO 577 N 1.85 1.50 0.00 -0.24 0.02 -1.15 -4.97 135.00 132.02 3gx1 s PRO 577 Ca 0.00 -1.26 0.18 0.00 0.02 0.00 0.00 61.00 59.95 3gx1 s PRO 577 Cb 0.00 0.46 1.04 0.00 0.02 0.00 0.00 34.50 36.02 3gx1 s PRO 577 CO 0.00 -0.62 1.49 1.28 -0.33 0.00 0.00 177.00 178.83 3gx1 n LEU 578 N -0.37 0.00 0.01 -5.54 4.77 -1.26 -2.31 117.00 112.30 3gx1 n LEU 578 Ca -0.02 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3gx1 n LEU 578 Cb 0.62 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 3gx1 n LEU 578 CO 0.23 -0.03 -0.39 0.71 -1.33 0.00 0.00 177.39 176.58 3gx1 h THR 579 N 0.00 0.71 -3.38 -5.08 1.35 -2.02 -3.45 112.91 101.04 3gx1 h THR 579 Ca 0.00 -2.40 -0.55 0.00 -0.55 0.00 0.00 66.41 62.91 3gx1 h THR 579 Cb 0.04 2.26 -0.04 0.00 -1.73 0.00 0.00 68.15 68.68 3gx1 h THR 579 CO 0.00 0.41 0.25 -0.69 -0.25 0.00 0.00 175.52 175.24 3gx1 s VAL 580 N -2.75 4.94 0.61 6.82 1.01 -0.98 -5.07 120.40 124.99 3gx1 s VAL 580 Ca -0.04 1.78 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 3gx1 s VAL 580 Cb 0.08 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3gx1 s VAL 580 CO 0.82 0.19 1.07 -1.61 0.00 0.00 0.00 175.10 175.57 3gx1 s GLU 581 N 0.99 3.19 0.28 2.72 0.41 -1.26 -4.81 118.70 120.22 3gx1 s GLU 581 Ca 0.45 1.23 -0.00 0.00 -0.41 0.00 0.00 54.97 56.24 3gx1 s GLU 581 Cb -0.19 -2.01 0.49 0.00 -1.78 0.00 0.00 34.13 30.64 3gx1 s GLU 581 CO 0.23 -0.92 1.87 0.28 -0.49 0.00 0.00 175.26 176.23 3gx1 h VAL 582 N 0.29 1.02 0.36 2.63 2.07 -1.97 -2.76 116.25 117.89 3gx1 h VAL 582 Ca -0.47 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3gx1 h VAL 582 Cb 1.23 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3gx1 h VAL 582 CO 0.57 0.20 -0.38 0.50 0.02 0.00 0.00 177.57 178.47 3gx1 h LYS 583 N 1.08 -0.72 -0.39 1.57 3.64 -2.04 -1.80 116.57 117.91 3gx1 h LYS 583 Ca 0.45 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3gx1 h LYS 583 Cb 0.31 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3gx1 h LYS 583 CO -0.20 -0.48 0.00 0.00 -2.27 0.00 0.00 179.45 176.50 3gx1 n ALA 584 N -2.68 0.89 0.00 5.00 0.00 -1.04 -1.48 120.51 121.20 3gx1 n ALA 584 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3gx1 n ALA 584 Cb 0.34 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.51 0.00 -0.19 0.00 9.36 -0.68 -1.12 117.16 125.04 3gx1 n TYR 586 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3gx1 n TYR 586 Cb 0.00 0.00 0.10 0.00 -0.63 0.00 0.00 39.34 38.81 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 0.36 -0.68 2.98 3.07 -1.53 -1.75 114.58 117.04 3gx1 h GLU 587 Ca 0.00 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 3gx1 h GLU 587 Cb 0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 3gx1 h GLU 587 CO 0.00 0.24 0.19 -0.22 -1.40 0.00 0.00 179.01 177.82 3gx1 h LYS 588 N 0.38 1.06 -0.36 2.33 1.63 -1.40 -1.49 116.57 118.72 3gx1 h LYS 588 Ca 0.29 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3gx1 h LYS 588 Cb 0.36 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 3gx1 h LYS 588 CO -0.30 0.92 0.21 1.25 -3.45 0.00 0.00 179.45 178.08 3gx1 h LEU 589 N 1.02 0.34 0.14 5.20 5.85 -1.69 -1.49 115.31 124.68 3gx1 h LEU 589 Ca 0.22 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3gx1 h LEU 589 Cb 0.32 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3gx1 h LEU 589 CO -0.00 0.25 -0.38 0.50 -0.34 0.00 0.00 178.44 178.46 3gx1 h LYS 590 N 0.43 -0.60 -0.95 1.25 3.64 -1.08 -1.23 116.57 118.04 3gx1 h LYS 590 Ca 0.14 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.67 3gx1 h LYS 590 Cb 0.00 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 3gx1 h LYS 590 CO -0.07 -0.40 0.61 1.96 -2.27 0.00 0.00 179.45 179.28 3gx1 h GLN 591 N -0.62 0.91 0.56 1.90 1.08 -1.14 -2.85 115.11 114.94 3gx1 h GLN 591 Ca 0.02 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3gx1 h GLN 591 Cb 0.65 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3gx1 h GLN 591 CO -0.21 0.60 -0.27 1.15 -0.95 0.00 0.00 178.83 179.15 3gx1 h THR 592 N 0.94 0.29 -0.65 -0.54 2.02 -0.61 -3.17 112.91 111.19 3gx1 h THR 592 Ca 0.45 -0.38 0.10 0.00 0.77 0.00 0.00 66.41 67.36 3gx1 h THR 592 Cb 0.45 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.18 3gx1 h THR 592 CO -0.21 0.04 0.25 0.58 0.37 0.00 0.00 175.52 176.55 3gx1 h VAL 593 N -1.03 0.75 -0.05 3.16 2.07 -1.23 -1.99 116.25 117.93 3gx1 h VAL 593 Ca -0.08 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3gx1 h VAL 593 Cb 0.64 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3gx1 h VAL 593 CO 0.13 0.08 0.10 0.58 0.02 0.00 0.00 177.57 178.48 3gx1 h VAL 594 N 0.43 0.23 -0.01 2.57 2.07 -1.47 -0.18 116.25 119.88 3gx1 h VAL 594 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3gx1 h VAL 594 Cb 0.43 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3gx1 h VAL 594 CO -0.32 0.00 -0.41 0.29 0.02 0.00 0.00 177.57 177.15 3gx1 n LYS 595 N -3.39 1.01 0.00 1.57 4.76 -0.75 -4.30 118.16 117.06 3gx1 n LYS 595 Ca -0.02 -0.76 0.11 0.00 -2.87 0.00 0.00 58.31 54.77 3gx1 n LYS 595 Cb 0.19 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 31.90 3gx1 n LYS 595 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gx1 n LEU 596 N -0.33 1.47 -3.37 -0.35 4.77 -0.08 -5.03 117.00 114.09 3gx1 n LEU 596 Ca 0.10 -0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 3gx1 n LEU 596 Cb 0.42 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3gx1 n LEU 596 CO 0.28 0.30 0.10 -3.20 -1.33 0.00 0.00 177.39 173.54 3gx1 n ASN 597 N -0.69 -6.54 -2.70 -1.43 4.05 -1.24 -4.72 115.26 101.98 3gx1 n ASN 597 Ca 0.07 -0.50 -0.27 0.00 0.45 0.00 0.00 54.58 54.33 3gx1 n ASN 597 Cb 0.40 -4.01 -0.09 0.00 1.23 0.00 0.00 39.78 37.31 3gx1 n ASN 597 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3gx1 n PRO 598 N -2.47 2.93 -0.34 1.20 -0.05 -1.26 -4.47 135.00 130.55 3gx1 n PRO 598 Ca -0.11 -1.72 0.04 0.00 -0.05 0.00 0.00 63.50 61.65 3gx1 n PRO 598 Cb 0.58 -2.41 0.18 0.00 -0.05 0.00 0.00 33.50 31.80 3gx1 n PRO 598 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3gx1 h VAL 599 N 2.50 0.99 -0.05 0.52 2.07 -1.89 -1.72 116.25 118.68 3gx1 h VAL 599 Ca 0.55 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3gx1 h VAL 599 Cb 0.85 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3gx1 h VAL 599 CO 1.05 0.18 0.00 0.29 0.02 0.00 0.00 177.57 179.11 3gx1 n LYS 600 N -4.62 1.70 0.00 1.57 4.76 -1.26 -5.01 118.16 115.31 3gx1 n LYS 600 Ca 0.15 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 3gx1 n LYS 600 Cb 0.25 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 1.18 0.90 3.09 0.72 0.00 -0.65 -4.30 105.19 106.14 3gx1 n GLY 601 Ca 0.18 -2.09 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.43 1.34 -0.27 1.61 1.01 -0.33 -2.10 120.40 120.23 3gx1 s VAL 602 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3gx1 s VAL 602 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3gx1 s VAL 602 CO 0.00 0.39 0.10 -0.22 0.00 0.00 0.00 175.10 175.38 3gx1 s LEU 603 N 0.32 3.69 -0.24 3.92 2.96 0.34 -1.82 118.68 127.84 3gx1 s LEU 603 Ca -0.09 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 3gx1 s LEU 603 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3gx1 s LEU 603 CO 0.03 -0.09 0.39 -0.63 -1.32 0.00 0.00 176.35 174.74 3gx1 s ILE 604 N 1.62 5.18 -0.28 6.68 1.01 0.21 -0.63 121.20 134.99 3gx1 s ILE 604 Ca 0.06 0.65 -0.08 0.00 0.00 0.00 0.00 60.65 61.28 3gx1 s ILE 604 Cb -0.16 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3gx1 s ILE 604 CO 0.05 0.19 0.09 -0.76 0.00 0.00 0.00 174.94 174.51 3gx1 s LEU 605 N 1.78 3.72 0.29 2.97 1.43 0.25 -0.65 118.68 128.47 3gx1 s LEU 605 Ca 0.17 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3gx1 s LEU 605 Cb -0.15 -1.92 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 3gx1 s LEU 605 CO 0.09 -0.12 0.08 -0.94 0.23 0.00 0.00 176.35 175.68 3gx1 s SER 606 N 1.57 1.73 -0.18 2.29 1.04 0.18 -4.18 113.70 116.16 3gx1 s SER 606 Ca 0.05 -1.38 -0.14 0.00 0.48 0.00 0.00 55.95 54.96 3gx1 s SER 606 Cb -0.16 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.94 3gx1 s SER 606 CO 0.04 -0.68 -0.30 -0.90 0.98 0.00 0.00 173.24 172.38 3gx1 n ASP 607 N -0.57 1.74 0.00 7.02 5.68 -1.26 -1.95 116.55 127.21 3gx1 n ASP 607 Ca -0.01 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 3gx1 n ASP 607 Cb 0.66 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 1.66 1.69 0.29 6.12 0.00 -1.26 -4.56 105.19 109.14 3gx1 n GLY 609 Ca -0.27 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3gx1 n GLY 609 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gx1 h SER 610 N 9.33 0.56 -0.65 1.61 4.64 -2.03 -1.33 113.55 125.69 3gx1 h SER 610 Ca 0.00 -0.07 0.19 0.00 -0.47 0.00 0.00 61.79 61.43 3gx1 h SER 610 Cb 0.00 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 3gx1 h SER 610 CO 0.00 0.55 0.55 -0.07 -0.87 0.00 0.00 176.83 176.98 3gx1 h LEU 611 N 0.61 0.00 -1.69 5.97 3.38 -2.00 -0.92 115.31 120.66 3gx1 h LEU 611 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3gx1 h LEU 611 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gx1 h LEU 611 CO -0.01 0.00 -0.14 0.74 0.09 0.00 0.00 178.44 179.13 3gx1 h THR 612 N 0.00 0.49 0.00 0.22 2.02 -1.62 -3.22 112.91 110.79 3gx1 h THR 612 Ca 0.31 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3gx1 h THR 612 Cb 1.40 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3gx1 h THR 612 CO -0.00 0.13 -0.50 -1.54 0.37 0.00 0.00 175.52 173.99 3gx1 n SER 613 N -3.49 0.56 -0.27 4.18 3.41 -0.36 -4.67 113.62 112.98 3gx1 n SER 613 Ca -0.01 -0.69 0.01 0.00 -0.26 0.00 0.00 58.87 57.92 3gx1 n SER 613 Cb 0.29 1.02 0.08 0.00 -0.26 0.00 0.00 64.21 65.35 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 0.00 -0.51 -0.19 7.33 -1.00 -1.56 -2.79 116.94 118.22 3gx1 h PHE 614 Ca 0.00 0.07 0.05 0.00 2.81 0.00 0.00 57.97 60.90 3gx1 h PHE 614 Cb 0.23 0.35 -0.05 0.00 3.61 0.00 0.00 35.95 40.09 3gx1 h PHE 614 CO 0.00 -0.35 -0.13 0.78 -1.61 0.00 0.00 178.31 177.00 3gx1 h GLY 615 N -0.02 0.02 1.02 -1.45 0.00 -1.83 0.31 103.07 101.11 3gx1 h GLY 615 Ca 0.36 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 3gx1 h GLY 615 CO -0.81 -0.14 0.60 3.43 0.00 0.00 0.00 176.54 179.62 3gx1 h ASN 616 N -0.13 1.14 -0.58 0.19 4.21 -1.84 0.24 115.58 118.81 3gx1 h ASN 616 Ca 0.11 -0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 3gx1 h ASN 616 Cb 0.29 -0.29 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 3gx1 h ASN 616 CO -0.27 0.86 0.34 0.40 -1.29 0.00 0.00 177.43 177.47 3gx1 h ILE 617 N 1.32 1.18 -0.01 2.81 2.04 -1.06 -1.47 117.51 122.32 3gx1 h ILE 617 Ca 0.35 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3gx1 h ILE 617 Cb -0.09 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3gx1 h ILE 617 CO -0.07 0.18 0.00 0.25 0.00 0.00 0.00 178.15 178.52 3gx1 h LEU 618 N 0.78 0.02 -0.64 1.44 5.85 0.75 0.64 115.31 124.14 3gx1 h LEU 618 Ca 0.21 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3gx1 h LEU 618 Cb -0.00 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 3gx1 h LEU 618 CO -0.04 0.16 0.24 0.74 -0.34 0.00 0.00 178.44 179.20 3gx1 h THR 619 N -0.13 0.74 0.07 1.05 2.02 -0.47 0.31 112.91 116.50 3gx1 h THR 619 Ca 0.00 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.05 3gx1 h THR 619 Cb 0.15 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 3gx1 h THR 619 CO -0.00 0.08 -0.46 -0.08 0.37 0.00 0.00 175.52 175.43 3gx1 h GLU 620 N 0.42 -0.60 -0.20 6.66 4.57 -1.08 0.20 114.58 124.55 3gx1 h GLU 620 Ca 0.33 0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.38 3gx1 h GLU 620 Cb 0.43 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3gx1 h GLU 620 CO -0.33 -0.40 -0.56 1.49 -1.18 0.00 0.00 179.01 178.02 3gx1 h GLU 621 N -0.62 0.60 0.00 1.92 4.81 -0.13 -3.36 114.58 117.79 3gx1 h GLU 621 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3gx1 h GLU 621 Cb 0.64 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3gx1 h GLU 621 CO -0.27 1.00 -0.27 1.28 -0.73 0.00 0.00 179.01 180.02 3gx1 n LEU 622 N -3.96 0.18 0.00 1.64 4.32 0.10 -5.01 117.00 114.28 3gx1 n LEU 622 Ca -0.04 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.49 3gx1 n LEU 622 Cb 0.62 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 3gx1 n LEU 622 CO 0.48 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 3gx1 n GLY 623 N 1.19 0.47 3.67 -0.72 0.00 0.06 -5.02 105.19 104.84 3gx1 n GLY 623 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.97 5.07 0.26 -0.61 1.01 -1.25 -5.01 121.20 118.69 3gx1 s ILE 624 Ca 0.00 1.12 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 3gx1 s ILE 624 Cb 0.00 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 3gx1 s ILE 624 CO 0.00 0.17 1.61 -0.13 0.00 0.00 0.00 174.94 176.58 3gx1 s ARG 625 N 1.60 4.15 0.00 2.79 0.52 -1.26 -3.99 118.95 122.75 3gx1 s ARG 625 Ca 0.28 2.54 -0.01 0.00 -0.52 0.00 0.00 55.73 58.01 3gx1 s ARG 625 Cb -0.16 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 3gx1 s ARG 625 CO 0.11 -0.64 0.02 -0.08 0.02 0.00 0.00 175.30 174.73 3gx1 s THR 626 N 0.39 0.05 0.02 0.02 -1.32 -1.26 -1.19 115.64 112.36 3gx1 s THR 626 Ca 0.66 -0.44 0.03 0.00 -1.21 0.00 0.00 61.69 60.73 3gx1 s THR 626 Cb -0.47 -0.18 -0.01 0.00 -1.51 0.00 0.00 72.50 70.32 3gx1 s THR 626 CO 0.42 -0.24 -0.09 -0.54 -2.21 0.00 0.00 174.62 171.96 3gx1 s LYS 627 N -0.72 0.65 -0.04 7.08 -0.14 -0.76 -4.95 119.74 120.86 3gx1 s LYS 627 Ca -0.08 -0.50 0.07 0.00 -1.36 0.00 0.00 55.97 54.09 3gx1 s LYS 627 Cb -0.05 -0.58 -0.02 0.00 -1.68 0.00 0.00 37.83 35.50 3gx1 s LYS 627 CO -0.00 0.15 -0.24 0.99 -0.76 0.00 0.00 175.35 175.48 3gx1 s THR 628 N -0.64 2.18 -0.03 2.17 2.01 -1.26 -0.62 115.64 119.45 3gx1 s THR 628 Ca -0.01 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 60.99 3gx1 s THR 628 Cb -0.06 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 3gx1 s THR 628 CO 0.00 0.58 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 3gx1 s VAL 629 N -0.47 3.03 -0.50 3.82 1.01 0.18 -4.98 120.40 122.49 3gx1 s VAL 629 Ca 0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3gx1 s VAL 629 Cb -0.11 -2.20 0.13 0.00 0.00 0.00 0.00 36.38 34.20 3gx1 s VAL 629 CO 0.01 0.55 0.30 0.42 0.00 0.00 0.00 175.10 176.37 3gx1 s THR 630 N -0.77 3.37 -0.27 3.92 -4.23 -1.26 -0.64 115.64 115.76 3gx1 s THR 630 Ca 0.12 -2.52 -0.25 0.00 -1.18 0.00 0.00 61.69 57.86 3gx1 s THR 630 Cb -0.11 -3.27 0.12 0.00 1.34 0.00 0.00 72.50 70.58 3gx1 s THR 630 CO 0.01 -0.77 0.99 -0.69 -0.54 0.00 0.00 174.62 173.63 3gx1 s VAL 632 N 0.55 0.00 0.28 2.29 1.01 -0.82 -4.88 120.40 118.82 3gx1 s VAL 632 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3gx1 s VAL 632 Cb -0.22 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 3gx1 s VAL 632 CO -0.04 0.00 0.10 -0.94 0.00 0.00 0.00 175.10 174.22 3gx1 s SER 633 N 0.18 1.42 0.23 3.32 1.04 -1.26 -4.86 113.70 113.77 3gx1 s SER 633 Ca 0.02 -1.41 -0.08 0.00 0.48 0.00 0.00 55.95 54.97 3gx1 s SER 633 Cb -0.05 0.17 0.37 0.00 0.10 0.00 0.00 66.02 66.61 3gx1 s SER 633 CO -0.05 -0.74 1.31 0.41 0.98 0.00 0.00 173.24 175.16 3gx1 n THR 634 N -0.52 -0.36 0.19 2.02 -1.04 -1.26 -0.10 114.28 113.21 3gx1 n THR 634 Ca -0.00 1.94 0.05 0.00 -2.04 0.00 0.00 64.05 63.99 3gx1 n THR 634 Cb 0.66 -2.67 0.50 0.00 -1.82 0.00 0.00 70.33 67.01 3gx1 n THR 634 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3gx1 h PRO 635 N 0.00 0.10 -0.04 -2.82 0.13 -1.99 0.04 132.00 127.42 3gx1 h PRO 635 Ca 0.39 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.49 3gx1 h PRO 635 Cb 0.60 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 3gx1 h PRO 635 CO -0.87 0.19 -0.03 0.28 -0.23 0.00 0.00 178.00 177.35 3gx1 h VAL 636 N 0.09 1.36 -0.67 1.56 2.07 -0.92 0.47 116.25 120.22 3gx1 h VAL 636 Ca 0.02 -1.14 0.13 0.00 0.82 0.00 0.00 66.70 66.54 3gx1 h VAL 636 Cb 0.22 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 3gx1 h VAL 636 CO 0.01 0.31 0.17 0.58 0.02 0.00 0.00 177.57 178.66 3gx1 h VAL 637 N -0.34 0.60 0.15 2.57 2.07 -1.14 -1.20 116.25 118.97 3gx1 h VAL 637 Ca 0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gx1 h VAL 637 Cb 0.51 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3gx1 h VAL 637 CO 0.01 0.05 -0.16 0.25 0.02 0.00 0.00 177.57 177.74 3gx1 h LEU 638 N 0.29 -0.43 0.23 2.57 5.85 -0.40 -2.46 115.31 120.96 3gx1 h LEU 638 Ca 0.36 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.14 3gx1 h LEU 638 Cb 0.57 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3gx1 h LEU 638 CO -0.44 -0.24 -0.33 -0.08 -0.34 0.00 0.00 178.44 177.00 3gx1 h GLU 639 N -0.35 -0.60 0.00 1.25 4.57 -0.57 -1.79 114.58 117.08 3gx1 h GLU 639 Ca 0.01 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3gx1 h GLU 639 Cb 0.34 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3gx1 h GLU 639 CO -0.05 -0.40 0.00 0.00 -1.18 0.00 0.00 179.01 177.38 3gx1 n ALA 640 N -2.67 0.61 0.00 2.92 0.00 -0.48 -1.62 120.51 119.26 3gx1 n ALA 640 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gx1 n ALA 640 Cb 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.10 0.00 0.04 0.00 0.63 -0.68 -1.05 116.66 115.50 3gx1 n ARG 642 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 3gx1 n ARG 642 Cb 0.00 0.00 0.20 0.00 0.45 0.00 0.00 32.46 33.11 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 0.42 -0.69 -0.14 1.79 -1.56 -2.71 116.57 113.69 3gx1 h LYS 643 Ca 0.00 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 3gx1 h LYS 643 Cb 0.00 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 3gx1 h LYS 643 CO 0.00 0.69 0.16 0.00 -1.08 0.00 0.00 179.45 179.21 3gx1 h ALA 644 N 1.31 0.91 0.00 3.86 0.00 -1.33 -2.48 119.26 121.52 3gx1 h ALA 644 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gx1 h ALA 644 Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gx1 h ALA 644 CO 0.06 0.64 -0.04 -1.13 0.00 0.00 0.00 179.25 178.77 3gx1 n SER 645 N -4.25 0.42 0.00 0.00 3.41 -1.10 -0.61 113.62 111.48 3gx1 n SER 645 Ca 0.05 0.50 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 3gx1 n SER 645 Cb 0.26 -0.59 0.71 0.00 -0.26 0.00 0.00 64.21 64.34 3gx1 n SER 645 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gx1 n LEU 646 N -1.88 0.00 0.00 1.04 4.77 -0.97 -4.95 117.00 115.01 3gx1 n LEU 646 Ca 0.06 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3gx1 n LEU 646 Cb 0.39 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3gx1 n LEU 646 CO 0.29 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3gx1 n GLY 647 N 1.26 0.89 3.81 -0.72 0.00 0.21 -5.07 105.19 105.58 3gx1 n GLY 647 Ca 0.12 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.34 3.31 0.71 1.61 1.81 -0.98 -4.94 118.95 119.13 3gx1 s ARG 648 Ca 0.00 1.09 -0.15 0.00 -1.72 0.00 0.00 55.73 54.95 3gx1 s ARG 648 Cb 0.00 -2.04 0.03 0.00 -0.45 0.00 0.00 34.95 32.49 3gx1 s ARG 648 CO 0.00 -0.81 1.18 0.20 -0.68 0.00 0.00 175.30 175.19 3gx1 s GLY 649 N -3.13 2.27 0.16 -3.53 0.00 -1.26 -4.51 107.32 97.32 3gx1 s GLY 649 Ca 0.61 0.77 -0.16 0.00 0.00 0.00 0.00 44.72 45.95 3gx1 s GLY 649 CO 0.41 1.16 1.73 -2.00 0.00 0.00 0.00 173.10 174.41 3gx1 h LEU 650 N -0.24 0.04 -0.24 0.66 5.85 -1.96 0.71 115.31 120.13 3gx1 h LEU 650 Ca -0.47 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3gx1 h LEU 650 Cb 1.28 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 3gx1 h LEU 650 CO 0.51 0.06 0.03 -0.33 -0.34 0.00 0.00 178.44 178.36 3gx1 h GLU 651 N 0.22 0.11 -0.24 1.25 4.39 -1.93 -0.61 114.58 117.78 3gx1 h GLU 651 Ca 0.18 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.92 3gx1 h GLU 651 Cb 0.20 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3gx1 h GLU 651 CO -0.23 0.07 -0.01 0.22 -1.16 0.00 0.00 179.01 177.91 3gx1 h ASP 652 N 0.11 -0.11 0.22 1.42 1.82 -1.81 -1.68 116.42 116.39 3gx1 h ASP 652 Ca 0.11 0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.67 3gx1 h ASP 652 Cb 0.13 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 3gx1 h ASP 652 CO -0.17 -0.02 -0.53 0.40 -1.61 0.00 0.00 179.24 177.31 3gx1 h ILE 653 N 0.06 1.35 0.87 2.25 2.04 -0.75 -1.88 117.51 121.44 3gx1 h ILE 653 Ca 0.11 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.13 3gx1 h ILE 653 Cb 0.15 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3gx1 h ILE 653 CO -0.20 0.54 -0.47 0.22 0.00 0.00 0.00 178.15 178.25 3gx1 h TYR 654 N 0.26 -1.23 -0.57 1.37 3.20 -0.88 -2.75 116.97 116.38 3gx1 h TYR 654 Ca 0.01 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.97 3gx1 h TYR 654 Cb 1.02 0.42 -0.10 0.00 1.54 0.00 0.00 36.73 39.61 3gx1 h TYR 654 CO 0.03 -0.73 -0.05 1.96 -1.64 0.00 0.00 178.16 177.73 3gx1 h GLN 655 N -1.23 0.07 -0.90 1.82 1.08 -1.34 -1.05 115.11 113.55 3gx1 h GLN 655 Ca -0.12 -0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.20 3gx1 h GLN 655 Cb 0.96 -0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 28.24 3gx1 h GLN 655 CO 0.16 0.05 -0.46 0.77 -0.95 0.00 0.00 178.83 178.40 3gx1 h SER 656 N 0.07 -1.65 0.01 1.46 0.02 -1.23 -1.77 113.55 110.46 3gx1 h SER 656 Ca 0.29 0.30 0.02 0.00 -0.84 0.00 0.00 61.79 61.56 3gx1 h SER 656 Cb 0.45 0.80 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 3gx1 h SER 656 CO -0.52 -0.28 -0.16 0.00 -1.14 0.00 0.00 176.83 174.72 3gx1 h GLU 658 N -0.28 0.23 -0.57 0.00 4.39 -0.66 0.36 114.58 118.05 3gx1 h GLU 658 Ca 0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 3gx1 h GLU 658 Cb 0.34 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3gx1 h GLU 658 CO -0.15 0.15 0.20 0.37 -1.16 0.00 0.00 179.01 178.42 3gx1 h GLN 659 N 0.23 0.87 -1.05 2.33 5.75 -0.98 -2.27 115.11 120.00 3gx1 h GLN 659 Ca 0.24 -0.17 0.29 0.00 -0.15 0.00 0.00 58.65 58.86 3gx1 h GLN 659 Cb 0.64 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 3gx1 h GLN 659 CO -0.05 0.77 0.74 -0.07 -2.65 0.00 0.00 178.83 177.57 3gx1 h LEU 660 N 0.79 0.10 0.01 -2.39 3.38 0.05 -0.46 115.31 116.78 3gx1 h LEU 660 Ca 0.19 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3gx1 h LEU 660 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gx1 h LEU 660 CO -0.01 0.02 -0.16 -0.26 0.09 0.00 0.00 178.44 178.12 3gx1 h PHE 661 N 0.09 0.15 -0.48 1.13 -1.00 -1.38 -2.03 116.94 113.43 3gx1 h PHE 661 Ca 0.52 -0.09 0.11 0.00 2.81 0.00 0.00 57.97 61.32 3gx1 h PHE 661 Cb 1.88 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 41.40 3gx1 h PHE 661 CO -0.00 0.92 0.33 0.93 -1.61 0.00 0.00 178.31 178.88 3gx1 h GLU 662 N -0.65 0.15 0.00 1.51 4.39 -0.76 -3.19 114.58 116.03 3gx1 h GLU 662 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3gx1 h GLU 662 Cb 0.97 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3gx1 h GLU 662 CO 0.03 0.10 -0.11 -0.91 -1.16 0.00 0.00 179.01 176.96 3gx1 h ASN 663 N 0.16 0.00 0.00 1.42 2.35 -1.23 -3.51 115.58 114.77 3gx1 h ASN 663 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3gx1 h ASN 663 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3gx1 h ASN 663 CO -0.03 0.30 0.00 1.17 -1.65 0.00 0.00 177.43 177.21