#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqi s SER 546 N 0.00 5.40 -0.51 4.39 0.01 -1.26 -4.88 113.70 116.86 3gqi s SER 546 Ca 0.00 0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.30 3gqi s SER 546 Cb 0.00 -1.92 0.13 0.00 0.21 0.00 0.00 66.02 64.44 3gqi s SER 546 CO 0.00 0.15 0.26 -0.55 0.41 0.00 0.00 173.24 173.51 3gqi s SER 547 N 0.52 4.16 0.16 2.44 0.15 -1.26 -5.07 113.70 114.80 3gqi s SER 547 Ca 0.02 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.71 3gqi s SER 547 Cb -0.13 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 3gqi s SER 547 CO 0.01 -0.23 0.00 -1.84 1.20 0.00 0.00 173.24 172.38 3gqi n GLU 548 N 3.17 0.00 0.00 5.44 0.28 -1.26 -4.85 120.64 123.41 3gqi n GLU 548 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 3gqi n GLU 548 Cb 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 3gqi n GLU 548 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3gqi n LYS 549 N 14.00 0.00 0.03 3.44 5.02 -1.26 -0.88 118.16 138.51 3gqi n LYS 549 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3gqi n LYS 549 Cb 0.00 0.00 0.50 0.00 -0.02 0.00 0.00 35.03 35.51 3gqi n LYS 549 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 3gqi n TRP 550 N 12.81 0.25 -2.60 2.13 4.27 -1.26 -4.68 117.44 128.37 3gqi n TRP 550 Ca 0.00 0.07 -0.42 0.00 -3.89 0.00 0.00 57.50 53.27 3gqi n TRP 550 Cb 0.00 -0.58 -0.03 0.00 -1.36 0.00 0.00 31.31 29.34 3gqi n TRP 550 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3gqi s PHE 551 N -3.03 2.49 -0.07 -2.67 5.36 -0.06 -0.59 117.98 119.40 3gqi s PHE 551 Ca 0.12 0.17 0.14 0.00 -0.96 0.00 0.00 56.93 56.40 3gqi s PHE 551 Cb 0.17 -4.53 -0.23 0.00 -0.34 0.00 0.00 43.02 38.09 3gqi s PHE 551 CO 0.58 -1.77 0.56 0.72 -1.46 0.00 0.00 175.22 173.84 3gqi n HIS 552 N 8.73 0.82 -2.39 10.12 8.25 -0.50 -4.23 115.22 136.01 3gqi n HIS 552 Ca 0.05 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 3gqi n HIS 552 Cb 0.49 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.45 3gqi n HIS 552 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gqi n GLY 553 N 1.59 0.85 3.71 -1.41 0.00 -1.19 -4.80 105.19 103.95 3gqi n GLY 553 Ca -0.20 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3gqi n GLY 553 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqi s LYS 554 N 0.00 4.39 -0.11 1.61 2.47 -1.26 -2.40 119.74 124.44 3gqi s LYS 554 Ca 0.00 1.89 0.04 0.00 -1.56 0.00 0.00 55.97 56.33 3gqi s LYS 554 Cb 0.00 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 33.06 3gqi s LYS 554 CO 0.00 -0.32 -0.23 -0.51 0.16 0.00 0.00 175.35 174.44 3gqi s LEU 555 N 1.07 2.11 -1.00 5.43 1.43 -1.26 -4.70 118.68 121.75 3gqi s LEU 555 Ca 0.61 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3gqi s LEU 555 Cb -0.32 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3gqi s LEU 555 CO 0.30 0.14 0.17 0.61 0.23 0.00 0.00 176.35 177.79 3gqi n GLY 556 N 3.66 -0.09 4.09 -3.19 0.00 -1.26 -2.91 105.19 105.48 3gqi n GLY 556 Ca -0.19 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3gqi n GLY 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqi n ALA 557 N -2.16 -1.36 -0.16 4.61 0.00 -1.26 -0.05 120.51 120.13 3gqi n ALA 557 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gqi n ALA 557 Cb 0.59 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.45 3gqi n ALA 557 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqi n GLY 558 N -1.56 1.35 3.77 0.00 0.00 -1.15 -5.04 105.19 102.57 3gqi n GLY 558 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3gqi n GLY 558 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gqi s ARG 559 N -0.47 3.74 -1.47 1.61 1.04 0.93 -4.63 118.95 119.71 3gqi s ARG 559 Ca 0.00 -0.22 -0.04 0.00 -1.04 0.00 0.00 55.73 54.43 3gqi s ARG 559 Cb 0.00 -3.24 0.00 0.00 -2.04 0.00 0.00 34.95 29.67 3gqi s ARG 559 CO 0.00 0.53 0.20 -0.40 -0.04 0.00 0.00 175.30 175.59 3gqi n ASP 560 N 2.76 -0.06 0.08 -2.89 3.85 -1.26 -4.24 116.55 114.78 3gqi n ASP 560 Ca -0.18 -1.20 0.02 0.00 -0.71 0.00 0.00 54.79 52.71 3gqi n ASP 560 Cb 0.53 -2.03 0.36 0.00 -1.35 0.00 0.00 41.12 38.64 3gqi n ASP 560 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3gqi h GLY 561 N -1.89 0.37 0.43 6.12 0.00 -1.82 -1.31 103.07 104.96 3gqi h GLY 561 Ca -0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 3gqi h GLY 561 CO 0.66 0.21 -0.11 -0.09 0.00 0.00 0.00 176.54 177.21 3gqi h ARG 562 N 0.33 -0.29 -0.35 4.80 2.43 -1.93 -2.83 114.38 116.54 3gqi h ARG 562 Ca 0.07 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3gqi h ARG 562 Cb 0.35 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 3gqi h ARG 562 CO 0.02 0.08 -0.10 1.25 -1.51 0.00 0.00 179.97 179.71 3gqi h HIS 563 N -0.88 -0.23 -0.54 2.20 2.76 -1.95 -0.24 115.15 116.28 3gqi h HIS 563 Ca -0.03 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3gqi h HIS 563 Cb 0.51 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 3gqi h HIS 563 CO 0.06 -0.17 0.36 0.82 -1.30 0.00 0.00 177.93 177.70 3gqi h ILE 564 N -0.02 0.92 0.00 6.26 2.04 -1.34 -1.13 117.51 124.24 3gqi h ILE 564 Ca 0.17 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 3gqi h ILE 564 Cb 0.28 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3gqi h ILE 564 CO -0.37 0.07 -0.49 0.00 0.00 0.00 0.00 178.15 177.36 3gqi h ALA 565 N 1.72 0.70 -0.01 1.87 0.00 -0.88 -2.59 119.26 120.07 3gqi h ALA 565 Ca 0.24 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3gqi h ALA 565 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gqi h ALA 565 CO -0.06 0.61 -0.17 0.93 0.00 0.00 0.00 179.25 180.55 3gqi h GLU 566 N 0.00 0.14 -0.16 0.00 5.08 0.12 -2.47 114.58 117.29 3gqi h GLU 566 Ca -0.00 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3gqi h GLU 566 Cb 1.34 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3gqi h GLU 566 CO 0.06 0.85 -0.16 0.07 -1.00 0.00 0.00 179.01 178.83 3gqi h ARG 567 N -0.52 0.25 -0.18 2.33 0.11 -1.47 0.13 114.38 115.04 3gqi h ARG 567 Ca -0.02 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 59.90 3gqi h ARG 567 Cb 0.90 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 3gqi h ARG 567 CO 0.03 0.42 -0.32 1.25 0.10 0.00 0.00 179.97 181.45 3gqi h LEU 568 N 0.24 0.36 0.06 0.08 6.46 -1.47 -2.97 115.31 118.06 3gqi h LEU 568 Ca 0.05 -0.13 -0.32 0.00 -0.12 0.00 0.00 57.88 57.36 3gqi h LEU 568 Cb 0.42 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 3gqi h LEU 568 CO 0.03 0.66 -1.78 -0.07 -0.62 0.00 0.00 178.44 176.66 3gqi h LEU 569 N 0.31 0.19 0.14 2.25 3.38 -0.93 -3.30 115.31 117.35 3gqi h LEU 569 Ca 0.04 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3gqi h LEU 569 Cb 0.71 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3gqi h LEU 569 CO 0.05 1.36 -0.07 0.74 0.09 0.00 0.00 178.44 180.61 3gqi h THR 570 N 0.03 0.00 -0.25 0.22 2.02 -0.78 0.10 112.91 114.25 3gqi h THR 570 Ca -0.32 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 66.89 3gqi h THR 570 Cb 2.02 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3gqi h THR 570 CO 0.09 0.00 0.19 1.05 0.37 0.00 0.00 175.52 177.22 3gqi h GLU 571 N -0.23 0.00 -0.04 6.66 4.11 -1.76 0.31 114.58 123.63 3gqi h GLU 571 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 3gqi h GLU 571 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3gqi h GLU 571 CO 0.03 0.00 -0.15 -0.92 0.07 0.00 0.00 179.01 178.05 3gqi h TYR 572 N 0.00 0.22 -0.11 2.06 3.20 -1.63 -2.92 116.97 117.79 3gqi h TYR 572 Ca 0.12 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 3gqi h TYR 572 Cb 0.49 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.73 3gqi h TYR 572 CO 0.00 0.78 -0.49 0.00 -1.64 0.00 0.00 178.16 176.80 3gqi h ILE 574 N 0.12 0.65 0.07 0.00 1.08 -0.54 0.84 117.51 119.73 3gqi h ILE 574 Ca -0.03 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 3gqi h ILE 574 Cb 1.14 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3gqi h ILE 574 CO 0.10 0.03 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.23 3gqi h GLU 575 N 0.15 -0.09 0.00 2.37 5.08 -1.55 -3.27 114.58 117.27 3gqi h GLU 575 Ca 0.25 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3gqi h GLU 575 Cb 0.37 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3gqi h GLU 575 CO -0.39 -0.06 0.01 2.41 -1.00 0.00 0.00 179.01 179.99 3gqi n THR 576 N -2.41 0.39 -3.66 1.13 -1.04 -0.61 -4.79 114.28 103.29 3gqi n THR 576 Ca -0.01 0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.90 3gqi n THR 576 Cb 0.04 -1.11 0.04 0.00 -1.82 0.00 0.00 70.33 67.48 3gqi n THR 576 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gqi n GLY 577 N -1.06 -0.32 3.77 3.41 0.00 0.21 -4.92 105.19 106.29 3gqi n GLY 577 Ca 0.00 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3gqi n GLY 577 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqi s ALA 578 N -3.63 3.25 0.64 4.61 0.00 -0.73 -5.03 121.76 120.86 3gqi s ALA 578 Ca 0.01 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 3gqi s ALA 578 Cb -0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3gqi s ALA 578 CO 0.80 -0.66 1.04 -1.25 0.00 0.00 0.00 175.76 175.69 3gqi s PRO 579 N -2.17 3.46 0.32 0.00 0.04 -1.26 -4.97 135.00 130.42 3gqi s PRO 579 Ca 0.55 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 3gqi s PRO 579 Cb -0.35 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 3gqi s PRO 579 CO 0.45 -0.66 1.41 -0.51 0.04 0.00 0.00 177.00 177.73 3gqi s ASP 580 N -4.19 6.59 0.00 6.66 1.01 -1.26 -3.00 116.67 122.48 3gqi s ASP 580 Ca 0.56 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.62 3gqi s ASP 580 Cb -0.11 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.17 3gqi s ASP 580 CO 0.54 -0.70 0.00 0.61 0.21 0.00 0.00 175.17 175.83 3gqi n GLY 581 N 1.18 0.69 3.74 0.21 0.00 0.01 -4.07 105.19 106.96 3gqi n GLY 581 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3gqi n GLY 581 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqi s SER 582 N -1.81 6.65 0.30 1.61 0.01 -1.16 0.11 113.70 119.42 3gqi s SER 582 Ca 0.00 2.65 -0.09 0.00 1.31 0.00 0.00 55.95 59.82 3gqi s SER 582 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3gqi s SER 582 CO 0.00 -0.71 0.51 0.72 0.41 0.00 0.00 173.24 174.17 3gqi s PHE 583 N 0.11 0.62 0.02 2.43 -0.71 -0.61 -0.52 117.98 119.32 3gqi s PHE 583 Ca 0.60 -0.97 -0.23 0.00 -1.04 0.00 0.00 56.93 55.29 3gqi s PHE 583 Cb -0.42 0.16 0.05 0.00 -1.21 0.00 0.00 43.02 41.60 3gqi s PHE 583 CO 0.42 -1.13 0.53 -0.48 -1.34 0.00 0.00 175.22 173.22 3gqi s LEU 584 N -3.11 -0.09 -0.20 -1.99 0.05 -0.88 -1.93 118.68 110.53 3gqi s LEU 584 Ca 0.25 0.26 -0.02 0.00 0.05 0.00 0.00 54.13 54.66 3gqi s LEU 584 Cb -0.01 2.12 -0.00 0.00 -2.05 0.00 0.00 46.19 46.24 3gqi s LEU 584 CO 0.14 -0.67 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.49 3gqi s VAL 585 N -2.12 3.09 0.38 1.48 1.01 0.24 -1.63 120.40 122.85 3gqi s VAL 585 Ca -0.07 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3gqi s VAL 585 Cb -0.01 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 3gqi s VAL 585 CO 0.01 0.46 0.03 0.00 0.00 0.00 0.00 175.10 175.60 3gqi s ARG 586 N 1.28 1.85 0.48 2.72 1.70 -0.42 -1.41 118.95 125.15 3gqi s ARG 586 Ca 0.03 -2.04 -0.20 0.00 -0.47 0.00 0.00 55.73 53.05 3gqi s ARG 586 Cb -0.14 -1.36 -0.09 0.00 -0.57 0.00 0.00 34.95 32.79 3gqi s ARG 586 CO -0.04 -0.10 1.03 -1.21 -1.08 0.00 0.00 175.30 173.89 3gqi s GLU 587 N -3.78 3.84 0.12 3.89 2.02 -1.01 -1.54 118.70 122.24 3gqi s GLU 587 Ca 0.35 1.31 -0.24 0.00 0.02 0.00 0.00 54.97 56.41 3gqi s GLU 587 Cb 0.09 -2.10 -0.07 0.00 0.10 0.00 0.00 34.13 32.15 3gqi s GLU 587 CO 0.17 -0.39 0.74 0.45 0.02 0.00 0.00 175.26 176.24 3gqi s SER 588 N -2.07 7.29 -0.12 -0.19 0.15 -1.03 -4.66 113.70 113.07 3gqi s SER 588 Ca 0.66 1.53 -0.10 0.00 0.70 0.00 0.00 55.95 58.74 3gqi s SER 588 Cb -0.15 -2.47 -0.26 0.00 -1.71 0.00 0.00 66.02 61.43 3gqi s SER 588 CO 0.20 0.18 0.40 -0.33 1.20 0.00 0.00 173.24 174.89 3gqi h GLU 589 N 4.68 0.25 -0.03 5.44 4.39 -1.94 -3.38 114.58 123.99 3gqi h GLU 589 Ca -0.47 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 58.71 3gqi h GLU 589 Cb 1.21 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 30.02 3gqi h GLU 589 CO 0.67 1.20 -0.36 1.15 -1.16 0.00 0.00 179.01 180.51 3gqi h THR 590 N -0.09 1.47 -3.38 1.13 2.02 -2.00 -3.39 112.91 108.67 3gqi h THR 590 Ca -0.40 -1.88 -0.72 0.00 0.77 0.00 0.00 66.41 64.19 3gqi h THR 590 Cb 1.93 2.54 -0.34 0.00 -1.74 0.00 0.00 68.15 70.53 3gqi h THR 590 CO 0.06 0.53 -0.06 -0.36 0.37 0.00 0.00 175.52 176.06 3gqi s PHE 591 N -3.37 3.88 -0.03 3.16 0.40 -1.26 -5.05 117.98 115.71 3gqi s PHE 591 Ca -0.15 -2.93 -0.37 0.00 -0.60 0.00 0.00 56.93 52.88 3gqi s PHE 591 Cb 0.03 -3.32 -0.16 0.00 0.51 0.00 0.00 43.02 40.08 3gqi s PHE 591 CO 0.77 -0.78 1.52 0.28 0.70 0.00 0.00 175.22 177.72 3gqi n VAL 592 N 2.54 0.13 0.00 -0.44 0.31 -1.26 -1.36 118.33 118.25 3gqi n VAL 592 Ca 0.20 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3gqi n VAL 592 Cb 0.38 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 3gqi n VAL 592 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqi n GLY 593 N 3.23 2.43 1.64 2.92 0.00 -1.26 -5.06 105.19 109.10 3gqi n GLY 593 Ca 0.21 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3gqi n GLY 593 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqi n ASP 594 N 0.12 0.42 -4.62 1.61 8.00 -0.47 -4.93 116.55 116.68 3gqi n ASP 594 Ca 0.00 -1.40 -0.31 0.00 0.71 0.00 0.00 54.79 53.80 3gqi n ASP 594 Cb 0.00 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 40.70 3gqi n ASP 594 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3gqi s TYR 595 N -1.48 1.96 -0.07 1.24 1.51 -1.09 -2.46 117.35 116.95 3gqi s TYR 595 Ca 0.29 -0.96 -0.05 0.00 -1.01 0.00 0.00 57.07 55.34 3gqi s TYR 595 Cb -0.01 -1.55 0.03 0.00 -0.11 0.00 0.00 41.96 40.31 3gqi s TYR 595 CO 0.20 0.17 0.18 0.99 -1.11 0.00 0.00 175.55 175.98 3gqi s THR 596 N -2.92 -0.02 -0.34 -0.71 2.01 -0.59 -1.72 115.64 111.35 3gqi s THR 596 Ca 0.15 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 3gqi s THR 596 Cb 0.03 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.30 3gqi s THR 596 CO 0.08 0.03 0.15 -0.22 -0.69 0.00 0.00 174.62 173.96 3gqi s LEU 597 N 0.52 4.36 -0.11 4.42 2.96 0.12 -1.30 118.68 129.66 3gqi s LEU 597 Ca -0.04 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 52.93 3gqi s LEU 597 Cb -0.05 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3gqi s LEU 597 CO -0.03 -0.31 0.03 -0.44 -1.32 0.00 0.00 176.35 174.29 3gqi s SER 598 N 1.51 5.43 0.21 3.68 0.01 -0.65 0.02 113.70 123.91 3gqi s SER 598 Ca 0.02 0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.35 3gqi s SER 598 Cb -0.19 -1.65 -0.01 0.00 0.21 0.00 0.00 66.02 64.38 3gqi s SER 598 CO 0.05 0.34 0.33 0.72 0.41 0.00 0.00 173.24 175.08 3gqi s PHE 599 N -0.63 0.56 -0.23 2.43 -0.12 -0.30 -2.06 117.98 117.63 3gqi s PHE 599 Ca 0.11 -0.89 -0.10 0.00 -0.05 0.00 0.00 56.93 56.00 3gqi s PHE 599 Cb -0.12 -0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 3gqi s PHE 599 CO 0.02 -0.81 0.14 -0.46 -0.05 0.00 0.00 175.22 174.06 3gqi s TRP 600 N -4.03 3.32 -0.27 3.49 -0.11 0.32 -1.02 118.94 120.64 3gqi s TRP 600 Ca 0.24 0.21 -0.00 0.00 1.22 0.00 0.00 56.10 57.77 3gqi s TRP 600 Cb 0.03 -2.23 0.14 0.00 -1.50 0.00 0.00 33.47 29.91 3gqi s TRP 600 CO 0.06 0.11 0.37 0.50 -4.62 0.00 0.00 176.95 173.37 3gqi s ARG 601 N 0.87 0.36 -1.01 5.86 3.52 0.98 -0.81 118.95 128.72 3gqi s ARG 601 Ca 0.07 0.22 -0.06 0.00 -0.13 0.00 0.00 55.73 55.83 3gqi s ARG 601 Cb -0.13 -0.48 -0.06 0.00 -1.56 0.00 0.00 34.95 32.72 3gqi s ARG 601 CO 0.03 -0.88 0.88 0.09 -0.81 0.00 0.00 175.30 174.61 3gqi n ASN 602 N 5.35 -6.73 -0.21 -2.12 3.02 -1.26 -2.73 115.26 110.58 3gqi n ASN 602 Ca -0.02 -0.64 -0.03 0.00 -0.03 0.00 0.00 54.58 53.87 3gqi n ASN 602 Cb 0.49 -5.09 -0.01 0.00 -0.61 0.00 0.00 39.78 34.56 3gqi n ASN 602 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gqi n GLY 603 N -1.34 0.36 2.97 7.41 0.00 -1.26 -4.96 105.19 108.37 3gqi n GLY 603 Ca -0.06 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3gqi n GLY 603 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqi s LYS 604 N -1.90 0.45 -0.24 1.61 2.20 -1.10 -5.11 119.74 115.65 3gqi s LYS 604 Ca 0.00 -0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.28 3gqi s LYS 604 Cb 0.00 -0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 35.84 3gqi s LYS 604 CO 0.00 0.12 0.18 0.54 -0.36 0.00 0.00 175.35 175.83 3gqi s VAL 605 N -0.17 5.34 0.08 4.02 0.11 -1.26 -0.02 120.40 128.51 3gqi s VAL 605 Ca 0.02 0.23 0.10 0.00 -2.93 0.00 0.00 61.98 59.39 3gqi s VAL 605 Cb -0.02 -3.52 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 3gqi s VAL 605 CO -0.00 0.33 -0.26 -1.10 -3.33 0.00 0.00 175.10 170.74 3gqi s GLN 606 N 1.12 1.66 -0.03 1.54 -0.21 -0.19 -4.93 119.66 118.62 3gqi s GLN 606 Ca 0.08 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.29 3gqi s GLN 606 Cb -0.14 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 3gqi s GLN 606 CO 0.05 0.49 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.64 3gqi s HIS 607 N -0.92 2.93 -0.06 0.91 3.76 -1.26 -1.15 115.29 119.48 3gqi s HIS 607 Ca 0.13 0.00 0.03 0.00 -0.15 0.00 0.00 55.06 55.07 3gqi s HIS 607 Cb -0.10 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 31.93 3gqi s HIS 607 CO 0.04 0.36 -0.14 0.00 -0.85 0.00 0.00 174.74 174.15 3gqi s ARG 609 N 0.56 4.41 -0.48 0.00 3.52 -1.26 0.12 118.95 125.82 3gqi s ARG 609 Ca -0.14 1.71 -0.09 0.00 -0.13 0.00 0.00 55.73 57.08 3gqi s ARG 609 Cb -0.15 -3.43 0.12 0.00 -1.56 0.00 0.00 34.95 29.92 3gqi s ARG 609 CO 0.04 -0.31 0.36 0.42 -0.81 0.00 0.00 175.30 175.00 3gqi s ILE 610 N 1.47 4.24 0.49 4.11 1.01 -0.70 -4.62 121.20 127.21 3gqi s ILE 610 Ca 0.57 -1.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.19 3gqi s ILE 610 Cb -0.27 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 3gqi s ILE 610 CO 0.27 -0.78 1.23 -1.00 0.00 0.00 0.00 174.94 174.65 3gqi s HIS 611 N 1.34 2.68 0.03 3.97 3.76 -0.22 -2.69 115.29 124.16 3gqi s HIS 611 Ca 0.06 1.48 0.05 0.00 -0.15 0.00 0.00 55.06 56.50 3gqi s HIS 611 Cb -0.26 -3.52 -0.02 0.00 1.11 0.00 0.00 32.58 29.89 3gqi s HIS 611 CO -0.01 -1.96 -0.14 0.45 -0.85 0.00 0.00 174.74 172.23 3gqi s SER 612 N -1.23 1.67 -0.14 1.40 0.15 -1.25 -1.98 113.70 112.31 3gqi s SER 612 Ca 0.66 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 3gqi s SER 612 Cb -0.32 -0.12 0.07 0.00 -1.71 0.00 0.00 66.02 63.93 3gqi s SER 612 CO 0.39 0.07 0.29 -0.60 1.20 0.00 0.00 173.24 174.58 3gqi s ARG 613 N -0.96 0.18 -0.51 5.44 3.52 -0.19 -4.93 118.95 121.50 3gqi s ARG 613 Ca 0.02 0.76 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 3gqi s ARG 613 Cb -0.07 -0.04 0.46 0.00 -1.56 0.00 0.00 34.95 33.74 3gqi s ARG 613 CO 0.01 -0.30 1.69 0.00 -0.81 0.00 0.00 175.30 175.88 3gqi n GLN 614 N 5.36 3.04 -0.07 5.12 0.00 -1.26 -0.79 117.38 128.77 3gqi n GLN 614 Ca -0.06 -3.64 -0.22 0.00 0.00 0.00 0.00 57.00 53.09 3gqi n GLN 614 Cb 0.50 -2.27 -0.12 0.00 0.00 0.00 0.00 30.24 28.34 3gqi n GLN 614 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3gqi n ASP 615 N -0.84 2.02 -0.90 2.61 8.00 -1.26 -4.23 116.55 121.94 3gqi n ASP 615 Ca 0.55 0.16 0.00 0.00 0.71 0.00 0.00 54.79 56.20 3gqi n ASP 615 Cb 0.80 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3gqi n ASP 615 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gqi n ALA 616 N -3.31 2.03 0.00 2.24 0.00 -1.26 -4.74 120.51 115.48 3gqi n ALA 616 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3gqi n ALA 616 Cb 0.95 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3gqi n ALA 616 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqi n GLY 617 N 0.62 0.90 3.85 0.00 0.00 -1.26 -4.88 105.19 104.42 3gqi n GLY 617 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3gqi n GLY 617 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gqi s THR 618 N 0.00 5.18 0.57 2.61 2.01 -1.26 -5.02 115.64 119.73 3gqi s THR 618 Ca 0.00 0.60 -0.19 0.00 0.31 0.00 0.00 61.69 62.42 3gqi s THR 618 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 3gqi s THR 618 CO 0.00 0.56 1.14 -2.16 -0.69 0.00 0.00 174.62 173.47 3gqi s PRO 619 N -1.16 3.19 -0.00 4.92 0.04 -1.26 -4.45 135.00 136.28 3gqi s PRO 619 Ca 0.22 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.92 3gqi s PRO 619 Cb -0.15 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3gqi s PRO 619 CO 0.11 -0.98 -0.10 0.15 0.04 0.00 0.00 177.00 176.22 3gqi s LYS 620 N -3.40 0.81 -0.01 4.56 3.01 0.03 -4.59 119.74 120.14 3gqi s LYS 620 Ca 0.73 -0.38 0.03 0.00 -1.01 0.00 0.00 55.97 55.34 3gqi s LYS 620 Cb -0.25 -0.78 -0.01 0.00 -1.01 0.00 0.00 37.83 35.79 3gqi s LYS 620 CO 0.30 0.21 -0.12 -0.06 0.51 0.00 0.00 175.35 176.20 3gqi s PHE 621 N -0.28 1.07 0.06 3.18 0.40 -0.48 -1.02 117.98 120.91 3gqi s PHE 621 Ca 0.03 -0.22 -0.26 0.00 -0.60 0.00 0.00 56.93 55.88 3gqi s PHE 621 Cb -0.04 -0.70 0.08 0.00 0.51 0.00 0.00 43.02 42.87 3gqi s PHE 621 CO -0.00 -0.04 0.73 -0.59 0.70 0.00 0.00 175.22 176.02 3gqi s PHE 622 N -0.19 -0.48 -0.02 0.36 -0.71 -0.84 -1.18 117.98 114.93 3gqi s PHE 622 Ca 0.03 0.39 0.05 0.00 -1.04 0.00 0.00 56.93 56.36 3gqi s PHE 622 Cb -0.05 0.53 -0.08 0.00 -1.21 0.00 0.00 43.02 42.20 3gqi s PHE 622 CO -0.00 -0.69 0.10 1.28 -1.34 0.00 0.00 175.22 174.57 3gqi n LEU 623 N -0.14 0.00 -4.25 -1.99 7.99 -1.26 -1.06 117.00 116.30 3gqi n LEU 623 Ca -0.14 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.72 3gqi n LEU 623 Cb 0.63 0.02 -0.10 0.00 -0.11 0.00 0.00 43.42 43.86 3gqi n LEU 623 CO 0.13 0.02 -0.34 0.42 -1.51 0.00 0.00 177.39 176.11 3gqi s THR 624 N -2.34 0.76 -1.12 -5.08 -4.23 -1.26 -4.97 115.64 97.41 3gqi s THR 624 Ca -0.02 -1.99 0.26 0.00 -1.18 0.00 0.00 61.69 58.76 3gqi s THR 624 Cb 0.03 -2.09 0.28 0.00 1.34 0.00 0.00 72.50 72.07 3gqi s THR 624 CO 0.23 -0.51 1.85 -0.90 -0.54 0.00 0.00 174.62 174.75 3gqi n ASP 625 N -0.24 0.00 -0.72 3.99 5.68 -1.26 -3.51 116.55 120.49 3gqi n ASP 625 Ca -0.07 0.34 0.09 0.00 -0.50 0.00 0.00 54.79 54.65 3gqi n ASP 625 Cb 0.63 -0.44 0.07 0.00 -1.14 0.00 0.00 41.12 40.24 3gqi n ASP 625 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3gqi n ASN 626 N -1.44 2.50 -3.69 -1.12 0.23 -1.26 -4.93 115.26 105.55 3gqi n ASN 626 Ca 0.08 -1.75 -0.16 0.00 -0.53 0.00 0.00 54.58 52.22 3gqi n ASN 626 Cb 0.28 0.03 -0.15 0.00 -2.08 0.00 0.00 39.78 37.85 3gqi n ASN 626 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gqi s LEU 627 N -1.58 0.21 0.05 -4.53 2.96 -1.23 -5.15 118.68 109.40 3gqi s LEU 627 Ca 0.21 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 3gqi s LEU 627 Cb 0.15 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 47.07 3gqi s LEU 627 CO 0.24 -0.21 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.27 3gqi s VAL 628 N 1.92 0.78 0.12 1.68 1.01 -1.26 -4.33 120.40 120.33 3gqi s VAL 628 Ca -0.01 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3gqi s VAL 628 Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3gqi s VAL 628 CO -0.05 -0.23 -0.10 -0.36 0.00 0.00 0.00 175.10 174.35 3gqi s PHE 629 N -1.15 1.19 -1.87 5.22 0.40 -0.33 -4.97 117.98 116.48 3gqi s PHE 629 Ca -0.05 -0.70 0.30 0.00 -0.60 0.00 0.00 56.93 55.88 3gqi s PHE 629 Cb -0.09 -0.62 1.54 0.00 0.51 0.00 0.00 43.02 44.36 3gqi s PHE 629 CO 0.01 0.05 2.03 -0.25 0.70 0.00 0.00 175.22 177.76 3gqi n ASP 630 N 0.18 0.33 -3.49 1.36 8.00 -1.26 -1.38 116.55 120.28 3gqi n ASP 630 Ca -0.13 -0.80 -0.11 0.00 0.71 0.00 0.00 54.79 54.46 3gqi n ASP 630 Cb 0.59 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 3gqi n ASP 630 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gqi s SER 631 N -2.23 -0.46 0.42 -2.24 1.04 -1.26 -4.76 113.70 104.20 3gqi s SER 631 Ca 0.38 0.16 0.09 0.00 0.48 0.00 0.00 55.95 57.06 3gqi s SER 631 Cb 0.21 0.45 0.91 0.00 0.10 0.00 0.00 66.02 67.69 3gqi s SER 631 CO 0.41 -0.67 2.05 -0.07 0.98 0.00 0.00 173.24 175.94 3gqi h LEU 632 N 2.23 0.44 0.75 2.42 3.38 -1.95 -1.48 115.31 121.09 3gqi h LEU 632 Ca -0.25 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3gqi h LEU 632 Cb 1.23 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.89 3gqi h LEU 632 CO 0.34 0.31 -0.36 0.22 0.09 0.00 0.00 178.44 179.03 3gqi h TYR 633 N 0.51 -0.94 0.00 1.13 3.20 -1.95 0.42 116.97 119.34 3gqi h TYR 633 Ca 0.17 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3gqi h TYR 633 Cb 0.05 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3gqi h TYR 633 CO -0.00 -0.57 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.51 3gqi h ASP 634 N -1.08 0.00 0.05 -2.11 3.32 -1.89 0.44 116.42 115.15 3gqi h ASP 634 Ca -0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3gqi h ASP 634 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3gqi h ASP 634 CO 0.17 0.00 -0.03 0.25 -1.72 0.00 0.00 179.24 177.91 3gqi h LEU 635 N 0.00 -0.06 -0.23 1.55 6.46 -0.90 -2.02 115.31 120.11 3gqi h LEU 635 Ca -0.00 -0.59 -0.00 0.00 -0.12 0.00 0.00 57.88 57.16 3gqi h LEU 635 Cb 0.00 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 3gqi h LEU 635 CO 0.00 0.65 0.13 0.40 -0.62 0.00 0.00 178.44 179.00 3gqi h ILE 636 N -0.86 1.11 -0.27 4.05 5.03 0.15 -1.92 117.51 124.79 3gqi h ILE 636 Ca -0.01 -0.29 0.05 0.00 -0.12 0.00 0.00 64.86 64.49 3gqi h ILE 636 Cb 0.65 0.88 -0.08 0.00 -3.03 0.00 0.00 36.82 35.24 3gqi h ILE 636 CO 0.01 0.11 -0.47 0.74 -0.68 0.00 0.00 178.15 177.86 3gqi h THR 637 N 0.27 0.08 -0.40 -0.27 2.02 -0.22 -2.46 112.91 111.92 3gqi h THR 637 Ca 0.08 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.35 3gqi h THR 637 Cb 0.06 0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 66.47 3gqi h THR 637 CO -0.01 0.00 -0.15 -0.74 0.37 0.00 0.00 175.52 174.99 3gqi h HIS 638 N -0.44 -0.36 0.00 3.16 -0.00 -1.05 -0.44 115.15 116.03 3gqi h HIS 638 Ca 0.09 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3gqi h HIS 638 Cb 0.62 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 3gqi h HIS 638 CO -0.59 -0.23 0.00 0.66 -0.00 0.00 0.00 177.93 177.77 3gqi n TYR 639 N -5.35 0.00 0.01 5.26 4.02 -0.75 -0.67 117.16 119.69 3gqi n TYR 639 Ca 0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.70 3gqi n TYR 639 Cb 0.26 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.44 3gqi n TYR 639 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3gqi h GLN 640 N 0.00 0.28 0.00 -0.72 4.20 -0.69 -2.15 115.11 116.03 3gqi h GLN 640 Ca 0.00 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 3gqi h GLN 640 Cb 0.00 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3gqi h GLN 640 CO 0.00 1.23 -0.08 1.96 -0.67 0.00 0.00 178.83 181.27 3gqi h GLN 641 N 0.02 0.00 -5.61 1.46 7.50 -1.35 -3.40 115.11 113.73 3gqi h GLN 641 Ca -0.41 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.15 3gqi h GLN 641 Cb 2.00 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 29.45 3gqi h GLN 641 CO 0.09 0.78 -0.29 0.08 -1.50 0.00 0.00 178.83 177.99 3gqi s VAL 642 N -2.09 5.26 1.17 -0.54 1.01 0.15 -4.98 120.40 120.39 3gqi s VAL 642 Ca -0.16 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 3gqi s VAL 642 Cb -0.02 -3.66 0.28 0.00 0.00 0.00 0.00 36.38 32.98 3gqi s VAL 642 CO 0.53 0.41 0.63 -2.65 0.00 0.00 0.00 175.10 174.03 3gqi n PRO 643 N 3.28 -3.26 -4.00 2.72 -0.02 -1.26 -4.10 135.00 128.36 3gqi n PRO 643 Ca -0.12 -1.06 -0.31 0.00 -2.02 0.00 0.00 63.50 60.00 3gqi n PRO 643 Cb 0.52 -1.57 -0.15 0.00 -0.02 0.00 0.00 33.50 32.28 3gqi n PRO 643 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gqi s LEU 644 N 0.00 3.54 -0.34 2.45 1.43 0.17 -4.80 118.68 121.13 3gqi s LEU 644 Ca 0.48 -1.59 -0.22 0.00 -1.03 0.00 0.00 54.13 51.78 3gqi s LEU 644 Cb -0.09 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3gqi s LEU 644 CO 0.41 -0.27 0.70 -0.13 0.23 0.00 0.00 176.35 177.28 3gqi s ARG 645 N 1.15 3.79 0.00 1.70 0.52 -1.26 -2.57 118.95 122.28 3gqi s ARG 645 Ca -0.01 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 3gqi s ARG 645 Cb -0.19 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.50 3gqi s ARG 645 CO -0.08 -0.72 0.00 0.00 0.02 0.00 0.00 175.30 174.52 3gqi h ASN 647 N 0.00 -0.19 0.00 0.00 4.21 -2.03 -3.39 115.58 114.17 3gqi h ASN 647 Ca 0.00 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.16 3gqi h ASN 647 Cb 0.00 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3gqi h ASN 647 CO 0.00 0.34 0.00 -0.62 -1.29 0.00 0.00 177.43 175.86 3gqi n GLU 648 N -4.94 0.00 0.00 0.81 -0.58 -1.26 -5.03 120.64 109.64 3gqi n GLU 648 Ca -0.08 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3gqi n GLU 648 Cb 0.26 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 3gqi n GLU 648 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 3gqi n PHE 649 N -0.21 0.00 -3.38 -0.32 -1.74 -1.26 -5.18 117.46 105.36 3gqi n PHE 649 Ca 0.00 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.67 3gqi n PHE 649 Cb 0.00 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.03 3gqi n PHE 649 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 3gqi s GLU 650 N 1.37 2.31 -0.30 3.97 -1.05 -1.25 -2.41 118.70 121.34 3gqi s GLU 650 Ca 0.00 -1.78 -0.17 0.00 -0.15 0.00 0.00 54.97 52.88 3gqi s GLU 650 Cb 0.00 -2.43 0.21 0.00 -0.44 0.00 0.00 34.13 31.47 3gqi s GLU 650 CO 0.00 -0.73 1.29 1.41 0.95 0.00 0.00 175.26 178.18 3gqi s MET 651 N -4.49 0.02 -0.14 -4.83 1.75 -1.06 -4.80 119.30 105.74 3gqi s MET 651 Ca 0.50 0.04 -0.13 0.00 -1.25 0.00 0.00 55.69 54.86 3gqi s MET 651 Cb -0.04 0.01 -0.05 0.00 2.84 0.00 0.00 34.83 37.59 3gqi s MET 651 CO 0.32 -0.01 0.27 1.03 -0.65 0.00 0.00 175.02 175.98 3gqi s ARG 652 N 1.25 4.09 0.22 4.11 0.52 -1.26 0.43 118.95 128.32 3gqi s ARG 652 Ca -0.06 0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 3gqi s ARG 652 Cb -0.02 -3.37 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 3gqi s ARG 652 CO -0.11 0.38 1.46 -0.51 0.02 0.00 0.00 175.30 176.54 3gqi s LEU 653 N 0.05 4.38 0.00 2.53 1.43 -0.81 -4.51 118.68 121.76 3gqi s LEU 653 Ca 0.16 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 3gqi s LEU 653 Cb -0.13 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3gqi s LEU 653 CO 0.05 -0.72 0.00 -1.54 0.23 0.00 0.00 176.35 174.36 3gqi n SER 654 N 2.76 0.00 -4.44 2.29 3.41 0.31 -4.53 113.62 113.41 3gqi n SER 654 Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.40 3gqi n SER 654 Cb 0.40 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.23 3gqi n SER 654 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3gqi s GLU 655 N 0.20 1.72 1.12 4.33 -1.05 -1.24 -4.89 118.70 118.89 3gqi s GLU 655 Ca 0.00 -1.19 -0.16 0.00 -0.15 0.00 0.00 54.97 53.47 3gqi s GLU 655 Cb 0.00 -2.05 0.24 0.00 -0.44 0.00 0.00 34.13 31.87 3gqi s GLU 655 CO 0.00 0.48 0.52 -2.30 0.95 0.00 0.00 175.26 174.92 3gqi n PRO 656 N 1.03 -3.03 -3.72 -4.83 -0.02 -1.26 -1.58 135.00 121.60 3gqi n PRO 656 Ca -0.16 -0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 60.28 3gqi n PRO 656 Cb 0.53 -1.58 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 3gqi n PRO 656 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gqi s VAL 657 N -2.07 -0.12 1.00 -1.45 1.01 -0.81 -4.40 120.40 113.56 3gqi s VAL 657 Ca 0.43 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 3gqi s VAL 657 Cb -0.08 -0.34 0.19 0.00 0.00 0.00 0.00 36.38 36.15 3gqi s VAL 657 CO 0.36 0.08 1.08 -2.84 0.00 0.00 0.00 175.10 173.79 3gqi s PRO 658 N 1.51 0.37 -1.24 2.72 0.02 -1.26 -4.66 135.00 132.45 3gqi s PRO 658 Ca -0.07 0.67 -0.11 0.00 0.02 0.00 0.00 61.00 61.52 3gqi s PRO 658 Cb -0.11 -1.72 0.18 0.00 0.02 0.00 0.00 34.50 32.87 3gqi s PRO 658 CO -0.08 -2.81 1.67 1.04 -0.33 0.00 0.00 177.00 176.50 3gqi n GLN 659 N -4.25 3.59 0.13 5.54 6.02 -1.26 -4.80 117.38 122.35 3gqi n GLN 659 Ca 0.05 -3.74 0.12 0.00 -0.01 0.00 0.00 57.00 53.43 3gqi n GLN 659 Cb 0.56 -2.93 0.48 0.00 1.02 0.00 0.00 30.24 29.38 3gqi n GLN 659 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3gqi n THR 660 N 3.63 0.78 0.23 5.09 -2.24 -1.26 -3.23 114.28 117.28 3gqi n THR 660 Ca 0.37 0.14 0.03 0.00 -2.27 0.00 0.00 64.05 62.32 3gqi n THR 660 Cb 0.38 -1.07 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 3gqi n THR 660 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gqi n ASN 661 N -2.27 1.16 -0.32 3.42 3.02 -1.26 -4.72 115.26 114.28 3gqi n ASN 661 Ca 0.03 -1.08 0.30 0.00 -0.03 0.00 0.00 54.58 53.79 3gqi n ASN 661 Cb 0.26 0.24 0.65 0.00 -0.61 0.00 0.00 39.78 40.32 3gqi n ASN 661 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqi h ALA 662 N 0.98 2.72 0.00 5.41 0.00 -1.95 -0.35 119.26 126.08 3gqi h ALA 662 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3gqi h ALA 662 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gqi h ALA 662 CO 0.00 -1.10 -0.37 1.12 0.00 0.00 0.00 179.25 178.90 3gqi h HIS 663 N 0.17 0.00 0.00 0.00 2.07 -1.84 -3.28 115.15 112.26 3gqi h HIS 663 Ca 0.58 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.10 3gqi h HIS 663 Cb 1.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.91 3gqi h HIS 663 CO -0.00 0.37 0.00 0.39 -3.07 0.00 0.00 177.93 175.62 3gqi n GLU 664 N -3.34 0.14 0.00 5.12 1.02 -0.14 -2.03 120.64 121.42 3gqi n GLU 664 Ca 0.01 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3gqi n GLU 664 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3gqi n GLU 664 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3gqi n SER 665 N -1.17 0.40 -4.76 1.62 7.64 -1.24 -5.05 113.62 111.06 3gqi n SER 665 Ca 0.04 -0.43 -0.35 0.00 1.01 0.00 0.00 58.87 59.14 3gqi n SER 665 Cb 0.04 0.93 0.03 0.00 -1.01 0.00 0.00 64.21 64.20 3gqi n SER 665 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3gqi s LYS 666 N -1.01 3.00 0.15 1.43 -0.14 -0.86 -4.88 119.74 117.43 3gqi s LYS 666 Ca 0.00 1.66 -0.14 0.00 -1.36 0.00 0.00 55.97 56.13 3gqi s LYS 666 Cb 0.00 -1.95 0.02 0.00 -1.68 0.00 0.00 37.83 34.22 3gqi s LYS 666 CO 0.00 -1.14 1.67 0.93 -0.76 0.00 0.00 175.35 176.05 3gqi h GLU 667 N 0.73 0.73 0.00 1.68 5.08 -1.96 -3.09 114.58 117.75 3gqi h GLU 667 Ca -0.49 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 3gqi h GLU 667 Cb 1.27 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gqi h GLU 667 CO 0.55 0.69 0.00 0.11 -1.00 0.00 0.00 179.01 179.36 3gqi h TRP 668 N 0.63 0.00 -3.39 4.33 5.08 -1.91 -3.43 115.95 117.26 3gqi h TRP 668 Ca 0.15 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.57 3gqi h TRP 668 Cb 0.26 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.38 3gqi h TRP 668 CO 0.01 0.00 0.19 -0.47 -1.28 0.00 0.00 178.44 176.89 3gqi s TYR 669 N -3.51 3.63 -0.02 0.12 5.04 -1.17 -0.17 117.35 121.26 3gqi s TYR 669 Ca 0.03 1.42 0.06 0.00 -2.44 0.00 0.00 57.07 56.14 3gqi s TYR 669 Cb 0.08 -2.90 -0.01 0.00 0.35 0.00 0.00 41.96 39.48 3gqi s TYR 669 CO 0.55 0.09 -0.20 -1.01 -1.34 0.00 0.00 175.55 173.64 3gqi s HIS 670 N 0.72 1.82 -0.10 4.97 3.76 0.67 -4.87 115.29 122.27 3gqi s HIS 670 Ca 0.42 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 55.04 3gqi s HIS 670 Cb -0.19 -1.18 -0.24 0.00 1.11 0.00 0.00 32.58 32.08 3gqi s HIS 670 CO 0.22 -0.05 0.46 0.00 -0.85 0.00 0.00 174.74 174.52 3gqi n ALA 671 N 2.64 1.33 -3.55 -1.40 0.00 -1.26 -1.90 120.51 116.38 3gqi n ALA 671 Ca -0.15 -0.81 -0.29 0.00 0.00 0.00 0.00 53.44 52.18 3gqi n ALA 671 Cb 0.53 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 19.18 3gqi n ALA 671 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gqi s SER 672 N -6.28 2.96 -0.05 0.00 0.15 -1.26 -4.19 113.70 105.02 3gqi s SER 672 Ca -0.12 -2.62 -0.01 0.00 0.70 0.00 0.00 55.95 53.90 3gqi s SER 672 Cb 0.07 -0.68 0.03 0.00 -1.71 0.00 0.00 66.02 63.73 3gqi s SER 672 CO 0.80 -0.25 0.03 -0.76 1.20 0.00 0.00 173.24 174.26 3gqi s LEU 673 N 0.47 0.46 0.67 3.45 1.43 -1.26 -5.07 118.68 118.83 3gqi s LEU 673 Ca 0.22 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 3gqi s LEU 673 Cb -0.16 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.80 3gqi s LEU 673 CO -0.05 -0.21 1.07 -0.89 0.23 0.00 0.00 176.35 176.51 3gqi s THR 674 N 1.92 3.67 0.16 5.49 2.01 -1.26 -4.79 115.64 122.85 3gqi s THR 674 Ca 0.03 0.67 -0.15 0.00 0.31 0.00 0.00 61.69 62.54 3gqi s THR 674 Cb -0.12 -3.25 0.05 0.00 0.01 0.00 0.00 72.50 69.19 3gqi s THR 674 CO -0.04 -0.59 1.76 0.08 -0.69 0.00 0.00 174.62 175.14 3gqi h ARG 675 N -0.27 0.32 -0.57 4.92 0.11 -1.99 0.35 114.38 117.25 3gqi h ARG 675 Ca -0.45 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 3gqi h ARG 675 Cb 1.22 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 32.21 3gqi h ARG 675 CO 0.55 0.21 0.25 0.00 0.10 0.00 0.00 179.97 181.09 3gqi h ALA 676 N 1.26 0.74 -0.47 0.08 0.00 -1.97 0.89 119.26 119.78 3gqi h ALA 676 Ca 0.19 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3gqi h ALA 676 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gqi h ALA 676 CO -0.18 0.33 0.32 0.37 0.00 0.00 0.00 179.25 180.09 3gqi h GLN 677 N 0.78 0.27 0.11 0.00 4.15 -1.68 0.25 115.11 119.00 3gqi h GLN 677 Ca 0.19 -0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.34 3gqi h GLN 677 Cb 0.16 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 3gqi h GLN 677 CO -0.02 0.18 -1.30 0.00 -1.93 0.00 0.00 178.83 175.76 3gqi h ALA 678 N 1.76 0.14 -0.80 3.38 0.00 0.80 -3.29 119.26 121.24 3gqi h ALA 678 Ca 0.22 -1.02 0.04 0.00 0.00 0.00 0.00 54.91 54.14 3gqi h ALA 678 Cb 0.49 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3gqi h ALA 678 CO -0.05 0.74 0.53 0.93 0.00 0.00 0.00 179.25 181.40 3gqi h GLU 679 N -0.34 0.94 -0.60 0.00 5.08 0.13 -1.39 114.58 118.39 3gqi h GLU 679 Ca -0.28 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3gqi h GLU 679 Cb 1.72 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 3gqi h GLU 679 CO 0.06 0.62 0.29 1.25 -1.00 0.00 0.00 179.01 180.24 3gqi h HIS 680 N 0.96 0.83 -0.24 4.33 2.76 -0.64 0.13 115.15 123.27 3gqi h HIS 680 Ca 0.32 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.37 3gqi h HIS 680 Cb 0.08 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 3gqi h HIS 680 CO -0.00 0.60 -0.24 0.52 -1.30 0.00 0.00 177.93 177.52 3gqi h MET 681 N 0.84 0.59 0.00 5.26 2.86 -1.35 -2.85 114.93 120.28 3gqi h MET 681 Ca 0.21 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3gqi h MET 681 Cb 0.08 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3gqi h MET 681 CO -0.03 0.90 0.00 1.28 1.06 0.00 0.00 176.91 180.12 3gqi n LEU 682 N -4.36 0.40 0.09 1.22 4.77 -0.81 -2.40 117.00 115.91 3gqi n LEU 682 Ca -0.05 0.56 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 3gqi n LEU 682 Cb 0.43 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3gqi n LEU 682 CO 0.43 -0.25 0.29 0.24 -1.33 0.00 0.00 177.39 176.77 3gqi h MET 683 N 0.00 0.00 -0.09 3.23 2.86 -0.52 -3.08 114.93 117.33 3gqi h MET 683 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gqi h MET 683 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3gqi h MET 683 CO 0.00 0.82 0.00 0.54 1.06 0.00 0.00 176.91 179.33 3gqi n ARG 684 N -3.45 1.33 -3.82 1.72 1.74 -1.01 -4.05 116.66 109.12 3gqi n ARG 684 Ca -0.00 -0.50 -0.30 0.00 -0.77 0.00 0.00 57.85 56.29 3gqi n ARG 684 Cb 0.82 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.83 3gqi n ARG 684 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gqi s VAL 685 N -1.89 2.03 -0.62 1.55 1.01 -1.16 -2.82 120.40 118.49 3gqi s VAL 685 Ca 0.26 -3.05 -0.22 0.00 0.00 0.00 0.00 61.98 58.97 3gqi s VAL 685 Cb 0.13 -2.40 -0.19 0.00 0.00 0.00 0.00 36.38 33.92 3gqi s VAL 685 CO 0.20 -0.87 1.86 -2.65 0.00 0.00 0.00 175.10 173.64 3gqi n PRO 686 N 3.19 1.24 -4.00 2.72 -0.02 -1.26 -4.81 135.00 132.06 3gqi n PRO 686 Ca 0.09 -1.63 -0.11 0.00 -2.02 0.00 0.00 63.50 59.83 3gqi n PRO 686 Cb 0.34 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.00 3gqi n PRO 686 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gqi s ARG 687 N 5.24 1.78 -0.18 -0.52 0.52 -1.26 -5.14 118.95 119.39 3gqi s ARG 687 Ca 0.57 -1.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3gqi s ARG 687 Cb 0.14 0.48 0.03 0.00 0.52 0.00 0.00 34.95 36.12 3gqi s ARG 687 CO 0.15 -0.76 -0.16 -0.51 0.02 0.00 0.00 175.30 174.03 3gqi s ASP 688 N -3.10 3.08 0.00 0.23 1.11 -1.26 -4.59 116.67 112.14 3gqi s ASP 688 Ca 0.24 -0.66 0.00 0.00 0.18 0.00 0.00 52.55 52.31 3gqi s ASP 688 Cb -0.01 -1.35 0.00 0.00 1.07 0.00 0.00 42.92 42.62 3gqi s ASP 688 CO 0.13 -0.05 0.00 0.61 1.18 0.00 0.00 175.17 177.05 3gqi n GLY 689 N 4.67 1.78 3.76 0.21 0.00 -1.11 -4.97 105.19 109.53 3gqi n GLY 689 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3gqi n GLY 689 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqi s ALA 690 N -1.49 3.04 0.14 4.61 0.00 -1.26 -1.98 121.76 124.81 3gqi s ALA 690 Ca 0.00 1.29 -0.07 0.00 0.00 0.00 0.00 51.96 53.18 3gqi s ALA 690 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.62 3gqi s ALA 690 CO 0.00 -1.10 0.37 1.97 0.00 0.00 0.00 175.76 176.99 3gqi n PHE 691 N -0.49 -1.35 -3.64 0.00 -1.74 -0.48 -2.62 117.46 107.14 3gqi n PHE 691 Ca 0.07 -0.69 0.01 0.00 -0.56 0.00 0.00 57.45 56.27 3gqi n PHE 691 Cb 0.44 0.35 -0.01 0.00 1.52 0.00 0.00 39.48 41.78 3gqi n PHE 691 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 3gqi s LEU 692 N 0.00 -0.08 -0.20 5.98 0.05 -0.79 -0.00 118.68 123.64 3gqi s LEU 692 Ca 0.08 -0.19 -0.03 0.00 0.05 0.00 0.00 54.13 54.04 3gqi s LEU 692 Cb -0.02 1.53 0.06 0.00 -2.05 0.00 0.00 46.19 45.72 3gqi s LEU 692 CO 0.04 -0.42 0.06 -0.69 -0.55 0.00 0.00 176.35 174.79 3gqi s VAL 693 N -2.59 0.35 0.12 1.48 1.01 0.76 -1.91 120.40 119.61 3gqi s VAL 693 Ca 0.14 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3gqi s VAL 693 Cb 0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3gqi s VAL 693 CO -0.03 -0.28 0.19 0.00 0.00 0.00 0.00 175.10 174.99 3gqi s ARG 694 N 1.93 3.21 -0.09 2.72 1.70 -0.93 -0.24 118.95 127.25 3gqi s ARG 694 Ca 0.01 -0.64 -0.13 0.00 -0.47 0.00 0.00 55.73 54.50 3gqi s ARG 694 Cb -0.17 -2.87 -0.05 0.00 -0.57 0.00 0.00 34.95 31.30 3gqi s ARG 694 CO -0.11 0.54 0.30 0.21 -1.08 0.00 0.00 175.30 175.17 3gqi s LYS 695 N -2.88 3.94 0.17 3.89 2.20 -0.80 -1.42 119.74 124.85 3gqi s LYS 695 Ca 0.33 0.17 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 3gqi s LYS 695 Cb -0.11 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3gqi s LYS 695 CO 0.26 0.53 0.22 -0.98 -0.36 0.00 0.00 175.35 175.02 3gqi s ARG 696 N -0.45 3.16 0.30 4.03 1.70 -1.06 -4.47 118.95 122.17 3gqi s ARG 696 Ca 0.19 -0.77 0.05 0.00 -0.47 0.00 0.00 55.73 54.73 3gqi s ARG 696 Cb -0.14 -2.79 0.71 0.00 -0.57 0.00 0.00 34.95 32.16 3gqi s ARG 696 CO 0.08 0.49 1.79 -0.91 -1.08 0.00 0.00 175.30 175.66 3gqi h ASN 697 N 2.13 0.81 -2.39 -2.89 4.21 -1.95 -3.41 115.58 112.09 3gqi h ASN 697 Ca -0.48 0.09 -0.57 0.00 1.21 0.00 0.00 56.30 56.54 3gqi h ASN 697 Cb 1.20 -0.06 0.06 0.00 -1.12 0.00 0.00 38.32 38.40 3gqi h ASN 697 CO 0.65 0.32 0.82 -0.62 -1.29 0.00 0.00 177.43 177.30 3gqi n GLU 698 N -4.73 2.25 -1.73 0.81 1.02 -1.26 -4.87 120.64 112.12 3gqi n GLU 698 Ca 0.22 0.81 -0.42 0.00 -0.02 0.00 0.00 57.16 57.75 3gqi n GLU 698 Cb 0.53 -2.58 -0.01 0.00 -0.02 0.00 0.00 31.44 29.36 3gqi n GLU 698 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3gqi n PRO 699 N 3.34 2.49 -3.50 3.49 -0.02 -1.26 -3.64 135.00 135.90 3gqi n PRO 699 Ca 0.16 0.88 -0.23 0.00 -2.02 0.00 0.00 63.50 62.29 3gqi n PRO 699 Cb 0.30 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 31.22 3gqi n PRO 699 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gqi n ASN 700 N 1.60 -5.96 -3.64 2.55 4.13 -1.26 -4.91 115.26 107.76 3gqi n ASN 700 Ca 0.07 -0.82 -0.09 0.00 1.68 0.00 0.00 54.58 55.42 3gqi n ASN 700 Cb 0.36 -3.97 -0.07 0.00 -1.54 0.00 0.00 39.78 34.56 3gqi n ASN 700 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3gqi s SER 701 N -3.35 -0.58 0.08 6.41 1.04 -1.24 -1.41 113.70 114.65 3gqi s SER 701 Ca 0.38 1.06 0.03 0.00 0.48 0.00 0.00 55.95 57.90 3gqi s SER 701 Cb -0.11 1.12 -0.03 0.00 0.10 0.00 0.00 66.02 67.10 3gqi s SER 701 CO 0.82 -0.18 -0.09 -0.31 0.98 0.00 0.00 173.24 174.46 3gqi s TYR 702 N 0.57 0.93 0.13 5.02 1.51 0.13 -2.55 117.35 123.09 3gqi s TYR 702 Ca -0.01 -0.67 0.08 0.00 -1.01 0.00 0.00 57.07 55.47 3gqi s TYR 702 Cb -0.05 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 3gqi s TYR 702 CO -0.07 -0.05 -0.12 0.00 -1.11 0.00 0.00 175.55 174.20 3gqi s ALA 703 N -2.39 2.89 -0.25 3.71 0.00 -0.51 -0.07 121.76 125.14 3gqi s ALA 703 Ca 0.03 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 3gqi s ALA 703 Cb -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.33 3gqi s ALA 703 CO -0.01 0.57 -0.06 0.42 0.00 0.00 0.00 175.76 176.68 3gqi s ILE 704 N -1.37 2.84 -0.17 0.00 1.01 0.19 -2.19 121.20 121.50 3gqi s ILE 704 Ca 0.22 -1.08 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 3gqi s ILE 704 Cb -0.10 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3gqi s ILE 704 CO 0.13 0.16 0.06 -0.44 0.00 0.00 0.00 174.94 174.86 3gqi s SER 705 N 1.31 5.63 0.15 3.58 0.01 -0.80 -0.31 113.70 123.27 3gqi s SER 705 Ca -0.01 0.10 -0.08 0.00 1.31 0.00 0.00 55.95 57.27 3gqi s SER 705 Cb -0.17 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 3gqi s SER 705 CO -0.04 0.19 0.26 0.72 0.41 0.00 0.00 173.24 174.78 3gqi s PHE 706 N 0.25 0.40 -0.52 2.43 -0.12 -0.44 -1.89 117.98 118.08 3gqi s PHE 706 Ca 0.04 -0.77 -0.10 0.00 -0.05 0.00 0.00 56.93 56.04 3gqi s PHE 706 Cb -0.12 -0.09 0.13 0.00 -0.63 0.00 0.00 43.02 42.31 3gqi s PHE 706 CO 0.00 -0.68 0.41 -0.98 -0.05 0.00 0.00 175.22 173.92 3gqi s ARG 707 N -3.96 2.65 -0.18 1.99 1.04 -1.08 -0.96 118.95 118.46 3gqi s ARG 707 Ca 0.16 -1.86 -0.06 0.00 -1.04 0.00 0.00 55.73 52.93 3gqi s ARG 707 Cb 0.04 -4.01 -0.03 0.00 -2.04 0.00 0.00 34.95 28.90 3gqi s ARG 707 CO -0.01 -1.22 0.02 0.00 -0.04 0.00 0.00 175.30 174.04 3gqi s ALA 708 N 1.21 3.19 -1.42 7.88 0.00 -0.26 -2.76 121.76 129.60 3gqi s ALA 708 Ca 0.07 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 3gqi s ALA 708 Cb -0.25 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.12 3gqi s ALA 708 CO -0.01 0.07 1.07 0.39 0.00 0.00 0.00 175.76 177.27 3gqi n GLU 709 N 3.79 -6.71 -1.57 0.00 -0.58 -1.26 -1.70 120.64 112.61 3gqi n GLU 709 Ca -0.17 0.72 -0.14 0.00 -0.42 0.00 0.00 57.16 57.15 3gqi n GLU 709 Cb 0.52 -5.68 -0.05 0.00 -0.57 0.00 0.00 31.44 25.66 3gqi n GLU 709 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gqi n GLY 710 N -1.81 1.13 2.99 0.62 0.00 -1.26 -5.00 105.19 101.86 3gqi n GLY 710 Ca -0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3gqi n GLY 710 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqi s LYS 711 N -3.48 0.17 0.22 1.61 2.20 -0.69 -5.08 119.74 114.70 3gqi s LYS 711 Ca 0.00 0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 3gqi s LYS 711 Cb 0.00 0.08 -0.10 0.00 -1.51 0.00 0.00 37.83 36.30 3gqi s LYS 711 CO 0.00 -0.03 1.47 -1.50 -0.36 0.00 0.00 175.35 174.93 3gqi s ILE 712 N -0.25 2.69 -0.06 5.43 1.10 -1.26 -1.10 121.20 127.74 3gqi s ILE 712 Ca -0.03 0.55 -0.06 0.00 -0.51 0.00 0.00 60.65 60.60 3gqi s ILE 712 Cb -0.02 -3.35 0.02 0.00 0.15 0.00 0.00 42.46 39.25 3gqi s ILE 712 CO 0.00 0.07 0.17 -0.54 -2.11 0.00 0.00 174.94 172.53 3gqi s LYS 713 N 0.11 0.19 0.31 3.50 3.01 -0.13 -4.90 119.74 121.84 3gqi s LYS 713 Ca 0.62 0.24 0.09 0.00 -1.01 0.00 0.00 55.97 55.92 3gqi s LYS 713 Cb -0.42 0.08 -0.05 0.00 -1.01 0.00 0.00 37.83 36.43 3gqi s LYS 713 CO 0.39 -0.03 0.02 -1.01 0.51 0.00 0.00 175.35 175.23 3gqi s HIS 714 N 0.15 2.61 0.00 3.18 0.09 -1.26 -1.33 115.29 118.73 3gqi s HIS 714 Ca -0.01 -0.34 0.00 0.00 -0.00 0.00 0.00 55.06 54.71 3gqi s HIS 714 Cb -0.02 -1.39 -0.00 0.00 -0.00 0.00 0.00 32.58 31.17 3gqi s HIS 714 CO -0.00 0.51 -0.01 0.00 -0.00 0.00 0.00 174.74 175.24 3gqi s ARG 716 N -0.23 4.30 -0.05 0.00 3.52 -1.26 0.55 118.95 125.78 3gqi s ARG 716 Ca -0.02 0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.90 3gqi s ARG 716 Cb -0.02 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3gqi s ARG 716 CO -0.00 0.20 -0.18 0.08 -0.81 0.00 0.00 175.30 174.59 3gqi s VAL 717 N 0.55 1.51 -0.08 7.11 1.01 0.90 -4.10 120.40 127.29 3gqi s VAL 717 Ca 0.21 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3gqi s VAL 717 Cb -0.14 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3gqi s VAL 717 CO 0.07 0.43 -0.16 -1.58 0.00 0.00 0.00 175.10 173.86 3gqi s GLN 718 N 0.10 2.14 -0.28 2.72 2.00 0.04 -0.70 119.66 125.68 3gqi s GLN 718 Ca -0.06 -0.56 -0.27 0.00 -2.00 0.00 0.00 55.36 52.47 3gqi s GLN 718 Cb -0.13 -1.73 0.01 0.00 0.80 0.00 0.00 33.01 31.97 3gqi s GLN 718 CO 0.03 0.05 0.98 -1.14 -0.50 0.00 0.00 175.29 174.71 3gqi s GLN 719 N 0.65 4.12 -0.83 1.67 2.00 -0.50 -0.84 119.66 125.93 3gqi s GLN 719 Ca -0.14 1.06 0.01 0.00 -2.00 0.00 0.00 55.36 54.29 3gqi s GLN 719 Cb -0.16 -3.69 0.21 0.00 0.80 0.00 0.00 33.01 30.17 3gqi s GLN 719 CO 0.04 -0.73 0.72 0.39 -0.50 0.00 0.00 175.29 175.21 3gqi n GLU 720 N 6.47 2.46 0.00 1.67 -0.58 0.90 -4.81 120.64 126.75 3gqi n GLU 720 Ca 0.10 -4.51 0.00 0.00 -0.42 0.00 0.00 57.16 52.33 3gqi n GLU 720 Cb 0.47 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 28.98 3gqi n GLU 720 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gqi n GLY 721 N 2.01 2.01 0.13 0.62 0.00 -1.26 -2.98 105.19 105.72 3gqi n GLY 721 Ca 0.22 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3gqi n GLY 721 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gqi n GLN 722 N 0.00 1.21 -4.05 1.61 3.00 -1.26 -5.02 117.38 112.86 3gqi n GLN 722 Ca 0.00 -2.51 -0.13 0.00 -0.01 0.00 0.00 57.00 54.35 3gqi n GLN 722 Cb 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 30.24 28.68 3gqi n GLN 722 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3gqi s THR 723 N -2.70 0.37 -0.14 5.09 -4.23 -1.16 -4.79 115.64 108.08 3gqi s THR 723 Ca 0.30 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 60.04 3gqi s THR 723 Cb 0.27 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.66 3gqi s THR 723 CO 0.02 -0.24 0.06 0.68 -0.54 0.00 0.00 174.62 174.60 3gqi s VAL 724 N -0.93 4.78 -0.10 2.29 -7.23 -0.24 -0.07 120.40 118.90 3gqi s VAL 724 Ca -0.07 -0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 3gqi s VAL 724 Cb -0.07 -3.09 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 3gqi s VAL 724 CO -0.00 0.54 -0.17 -0.04 -0.31 0.00 0.00 175.10 175.12 3gqi s MET 725 N -0.35 3.03 -0.85 4.82 -1.94 -0.02 0.69 119.30 124.68 3gqi s MET 725 Ca 0.09 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 3gqi s MET 725 Cb -0.12 -2.46 0.22 0.00 2.01 0.00 0.00 34.83 34.48 3gqi s MET 725 CO 0.02 0.32 0.78 -0.11 -0.01 0.00 0.00 175.02 176.01 3gqi n LEU 726 N 3.20 4.10 0.00 -0.03 7.94 0.50 -0.78 117.00 131.92 3gqi n LEU 726 Ca -0.18 -5.19 0.00 0.00 -1.11 0.00 0.00 56.01 49.53 3gqi n LEU 726 Cb 0.53 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.47 3gqi n LEU 726 CO 0.28 1.66 0.00 0.61 -1.11 0.00 0.00 177.39 178.84 3gqi n GLY 727 N 2.01 2.48 0.08 -3.96 0.00 -1.26 -2.66 105.19 101.89 3gqi n GLY 727 Ca 0.23 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3gqi n GLY 727 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3gqi h ASN 728 N 0.00 0.19 -4.07 1.61 7.08 -1.98 -3.46 115.58 114.94 3gqi h ASN 728 Ca 0.00 -0.21 -0.54 0.00 -3.08 0.00 0.00 56.30 52.46 3gqi h ASN 728 Cb 0.00 -0.06 0.13 0.00 -2.08 0.00 0.00 38.32 36.31 3gqi h ASN 728 CO 0.00 1.17 0.54 -0.44 -2.08 0.00 0.00 177.43 176.61 3gqi s SER 729 N -6.85 5.13 -0.02 6.14 0.01 -1.09 -5.05 113.70 111.99 3gqi s SER 729 Ca -0.02 2.59 0.03 0.00 1.31 0.00 0.00 55.95 59.85 3gqi s SER 729 Cb 0.09 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 3gqi s SER 729 CO 0.85 -1.65 -0.10 -0.70 0.41 0.00 0.00 173.24 172.06 3gqi s GLU 730 N -3.14 0.87 0.24 12.44 2.12 -1.26 -0.37 118.70 129.61 3gqi s GLU 730 Ca 0.76 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.76 3gqi s GLU 730 Cb -0.36 -0.83 -0.04 0.00 0.26 0.00 0.00 34.13 33.16 3gqi s GLU 730 CO 0.40 0.17 0.13 -0.06 -0.54 0.00 0.00 175.26 175.36 3gqi s PHE 731 N -0.04 1.37 -0.17 5.30 0.40 0.22 -4.98 117.98 120.07 3gqi s PHE 731 Ca 0.01 -1.33 0.16 0.00 -0.60 0.00 0.00 56.93 55.16 3gqi s PHE 731 Cb -0.06 -0.72 0.07 0.00 0.51 0.00 0.00 43.02 42.82 3gqi s PHE 731 CO -0.00 -0.54 1.42 -0.44 0.70 0.00 0.00 175.22 176.36 3gqi h ASP 732 N 2.46 0.00 -5.18 1.36 5.19 -1.89 -0.61 116.42 117.76 3gqi h ASP 732 Ca -0.36 0.00 0.26 0.00 -0.62 0.00 0.00 57.03 56.31 3gqi h ASP 732 Cb 1.25 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.62 3gqi h ASP 732 CO 0.54 0.47 0.73 -0.94 -3.12 0.00 0.00 179.24 176.93 3gqi s SER 733 N -6.40 -0.13 0.17 6.45 1.04 -1.26 -4.60 113.70 108.97 3gqi s SER 733 Ca 0.04 -0.13 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 3gqi s SER 733 Cb 0.07 0.24 0.13 0.00 0.10 0.00 0.00 66.02 66.56 3gqi s SER 733 CO 0.75 -0.42 1.68 -0.07 0.98 0.00 0.00 173.24 176.16 3gqi h LEU 734 N 2.00 -0.26 -1.90 2.42 3.38 -1.93 -0.96 115.31 118.07 3gqi h LEU 734 Ca -0.23 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3gqi h LEU 734 Cb 1.20 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 3gqi h LEU 734 CO 0.27 -0.09 -0.06 0.58 0.09 0.00 0.00 178.44 179.23 3gqi h VAL 735 N 0.07 1.03 0.00 1.22 2.07 -1.93 0.17 116.25 118.88 3gqi h VAL 735 Ca 0.21 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.38 3gqi h VAL 735 Cb 0.32 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3gqi h VAL 735 CO -0.39 0.06 -0.76 0.44 0.02 0.00 0.00 177.57 176.94 3gqi h ASP 736 N 0.00 0.00 -0.00 0.57 3.32 -1.65 -1.58 116.42 117.08 3gqi h ASP 736 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3gqi h ASP 736 Cb 0.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.66 3gqi h ASP 736 CO 0.01 0.76 -0.28 0.25 -1.72 0.00 0.00 179.24 178.26 3gqi h LEU 737 N 0.00 0.25 -0.46 1.55 6.46 0.19 -2.46 115.31 120.84 3gqi h LEU 737 Ca -0.01 -0.77 -0.05 0.00 -0.12 0.00 0.00 57.88 56.93 3gqi h LEU 737 Cb 1.39 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 3gqi h LEU 737 CO 0.10 0.99 0.09 0.40 -0.62 0.00 0.00 178.44 179.40 3gqi h ILE 738 N -0.47 1.24 -0.71 4.05 1.08 -0.81 -2.53 117.51 119.36 3gqi h ILE 738 Ca -0.03 -0.87 0.13 0.00 -0.39 0.00 0.00 64.86 63.70 3gqi h ILE 738 Cb 1.03 0.93 -0.09 0.00 -3.07 0.00 0.00 36.82 35.62 3gqi h ILE 738 CO 0.05 0.31 0.26 -1.28 -0.69 0.00 0.00 178.15 176.80 3gqi h SER 739 N 0.61 0.22 0.59 1.72 0.87 -1.35 -0.80 113.55 115.42 3gqi h SER 739 Ca 0.14 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 3gqi h SER 739 Cb 0.36 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3gqi h SER 739 CO 0.01 0.09 -0.33 0.22 -0.53 0.00 0.00 176.83 176.29 3gqi h TYR 740 N 0.41 -0.86 0.00 2.24 3.20 -1.04 -2.84 116.97 118.07 3gqi h TYR 740 Ca 0.39 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3gqi h TYR 740 Cb 0.57 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.14 3gqi h TYR 740 CO -0.18 -0.50 0.00 0.66 -1.64 0.00 0.00 178.16 176.49 3gqi n TYR 741 N -4.42 0.00 0.98 -3.82 4.02 -0.99 -1.08 117.16 111.86 3gqi n TYR 741 Ca -0.10 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.92 3gqi n TYR 741 Cb 0.34 0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.17 3gqi n TYR 741 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3gqi n GLU 742 N -0.82 0.01 0.01 -0.72 1.02 -0.34 -2.22 120.64 117.58 3gqi n GLU 742 Ca 0.06 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.18 3gqi n GLU 742 Cb 0.03 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 29.93 3gqi n GLU 742 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gqi n LYS 743 N -1.53 0.10 -1.86 3.49 5.02 -0.24 -4.75 118.16 118.39 3gqi n LYS 743 Ca 0.07 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 3gqi n LYS 743 Cb 0.34 -0.68 0.02 0.00 -0.02 0.00 0.00 35.03 34.69 3gqi n LYS 743 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3gqi s HIS 744 N -2.15 3.44 0.35 2.13 -0.00 -0.77 -4.99 115.29 113.31 3gqi s HIS 744 Ca -0.06 1.36 -0.27 0.00 -0.00 0.00 0.00 55.06 56.09 3gqi s HIS 744 Cb 0.01 -2.79 -0.09 0.00 -0.00 0.00 0.00 32.58 29.72 3gqi s HIS 744 CO 0.09 -0.82 1.15 -2.14 -0.00 0.00 0.00 174.74 173.02 3gqi s PRO 745 N -4.95 4.30 -0.13 -0.38 0.02 -1.26 -4.47 135.00 128.13 3gqi s PRO 745 Ca 0.57 1.83 0.13 0.00 0.02 0.00 0.00 61.00 63.55 3gqi s PRO 745 Cb -0.12 -2.87 -0.19 0.00 0.02 0.00 0.00 34.50 31.34 3gqi s PRO 745 CO 0.51 -0.11 0.10 -0.11 -0.33 0.00 0.00 177.00 177.06 3gqi n LEU 746 N 0.51 0.00 -3.15 -5.54 -0.00 0.46 -4.90 117.00 104.37 3gqi n LEU 746 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.08 3gqi n LEU 746 Cb 0.46 0.31 -0.01 0.00 -0.00 0.00 0.00 43.42 44.17 3gqi n LEU 746 CO 0.52 0.31 0.42 -0.47 -0.00 0.00 0.00 177.39 178.17 3gqi s TYR 747 N -2.47 -0.92 -1.11 1.96 5.04 -1.09 -4.94 117.35 113.81 3gqi s TYR 747 Ca -0.07 0.88 -0.06 0.00 -2.44 0.00 0.00 57.07 55.38 3gqi s TYR 747 Cb 0.05 0.29 0.01 0.00 0.35 0.00 0.00 41.96 42.66 3gqi s TYR 747 CO 0.61 -0.51 0.83 0.54 -1.34 0.00 0.00 175.55 175.67 3gqi n ARG 748 N 5.41 -5.73 -1.31 4.97 5.12 -1.26 -1.54 116.66 122.32 3gqi n ARG 748 Ca -0.02 0.67 -0.11 0.00 -1.93 0.00 0.00 57.85 56.47 3gqi n ARG 748 Cb 0.54 -5.18 -0.05 0.00 -1.16 0.00 0.00 32.46 26.61 3gqi n ARG 748 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3gqi n LYS 749 N -3.89 -0.90 -3.21 5.56 2.85 -1.26 -4.97 118.16 112.34 3gqi n LYS 749 Ca -0.02 0.84 -0.40 0.00 -1.05 0.00 0.00 58.31 57.68 3gqi n LYS 749 Cb 0.56 -4.84 -0.07 0.00 -0.65 0.00 0.00 35.03 30.03 3gqi n LYS 749 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3gqi s MET 750 N -2.77 4.01 0.07 -1.58 0.00 -0.59 -4.83 119.30 113.61 3gqi s MET 750 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 55.69 56.03 3gqi s MET 750 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 34.83 31.11 3gqi s MET 750 CO 0.00 -0.42 -0.04 0.21 0.00 0.00 0.00 175.02 174.77 3gqi s LYS 751 N 2.38 2.43 -0.68 4.11 2.47 -1.26 -0.41 119.74 128.77 3gqi s LYS 751 Ca 0.22 -0.87 -0.26 0.00 -1.56 0.00 0.00 55.97 53.50 3gqi s LYS 751 Cb -0.15 -2.47 -0.02 0.00 -1.46 0.00 0.00 37.83 33.73 3gqi s LYS 751 CO 0.10 0.54 1.83 -0.51 0.16 0.00 0.00 175.35 177.47 3gqi s LEU 752 N -2.08 3.26 -0.08 5.43 1.02 -0.94 -4.55 118.68 120.73 3gqi s LEU 752 Ca 0.23 0.06 0.05 0.00 0.02 0.00 0.00 54.13 54.49 3gqi s LEU 752 Cb -0.11 -2.54 -0.09 0.00 0.02 0.00 0.00 46.19 43.47 3gqi s LEU 752 CO 0.15 -2.39 -0.00 0.54 0.02 0.00 0.00 176.35 174.66 3gqi n ARG 753 N 9.14 2.08 -3.84 1.70 1.74 -0.84 -4.38 116.66 122.26 3gqi n ARG 753 Ca 0.23 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 57.01 3gqi n ARG 753 Cb 0.51 -1.20 -0.11 0.00 -1.02 0.00 0.00 32.46 30.63 3gqi n ARG 753 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3gqi s TYR 754 N -2.19 3.48 0.52 -1.55 1.51 -0.95 -4.98 117.35 113.20 3gqi s TYR 754 Ca -0.06 -3.15 -0.20 0.00 -1.01 0.00 0.00 57.07 52.65 3gqi s TYR 754 Cb 0.03 -2.90 -0.09 0.00 -0.11 0.00 0.00 41.96 38.88 3gqi s TYR 754 CO 0.30 -0.68 0.62 -0.35 -1.11 0.00 0.00 175.55 174.34 3gqi n PRO 755 N 2.59 0.65 -5.02 -1.71 -0.06 -1.26 -1.38 135.00 128.81 3gqi n PRO 755 Ca 0.14 0.25 -0.27 0.00 -0.06 0.00 0.00 63.50 63.55 3gqi n PRO 755 Cb 0.35 -1.74 -0.16 0.00 -0.06 0.00 0.00 33.50 31.89 3gqi n PRO 755 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 175.50 175.86 3gqi s ILE 756 N -1.60 1.65 0.17 0.52 1.09 1.00 -4.73 121.20 119.30 3gqi s ILE 756 Ca 0.68 -0.89 -0.10 0.00 -1.10 0.00 0.00 60.65 59.25 3gqi s ILE 756 Cb -0.49 -1.38 0.04 0.00 -1.06 0.00 0.00 42.46 39.57 3gqi s ILE 756 CO 0.55 0.47 0.48 -0.46 -0.10 0.00 0.00 174.94 175.88 3gqi n ASN 757 N 2.66 -1.13 0.03 3.58 0.23 -1.26 -4.55 115.26 114.82 3gqi n ASN 757 Ca -0.16 -1.72 -0.10 0.00 -0.53 0.00 0.00 54.58 52.07 3gqi n ASN 757 Cb 0.53 1.87 -0.04 0.00 -2.08 0.00 0.00 39.78 40.06 3gqi n ASN 757 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3gqi h GLU 758 N 0.00 -0.19 -0.09 -3.83 4.81 -2.00 -1.29 114.58 111.99 3gqi h GLU 758 Ca -0.17 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 3gqi h GLU 758 Cb 0.67 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3gqi h GLU 758 CO 0.22 -0.13 -0.40 0.93 -0.73 0.00 0.00 179.01 178.90 3gqi h GLU 759 N -0.20 0.19 -0.09 1.92 5.08 -1.98 -2.17 114.58 117.34 3gqi h GLU 759 Ca 0.06 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3gqi h GLU 759 Cb 0.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3gqi h GLU 759 CO -0.17 0.57 -0.08 0.00 -1.00 0.00 0.00 179.01 178.33 3gqi h ALA 760 N 1.43 1.71 -0.07 3.43 0.00 -1.78 -1.16 119.26 122.83 3gqi h ALA 760 Ca 0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 3gqi h ALA 760 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3gqi h ALA 760 CO 0.06 0.22 -0.81 -0.07 0.00 0.00 0.00 179.25 178.65 3gqi h LEU 761 N 0.12 0.60 0.00 0.00 3.38 -0.63 -2.36 115.31 116.42 3gqi h LEU 761 Ca 0.03 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3gqi h LEU 761 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gqi h LEU 761 CO 0.01 1.19 0.00 -0.62 0.09 0.00 0.00 178.44 179.11 3gqi n GLU 762 N -3.83 0.04 -0.02 1.13 -0.58 -0.46 0.64 120.64 117.56 3gqi n GLU 762 Ca -0.06 0.32 0.02 0.00 -0.42 0.00 0.00 57.16 57.02 3gqi n GLU 762 Cb 0.76 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 30.03 3gqi n GLU 762 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3gqi n LYS 763 N -1.40 0.98 0.04 3.49 0.00 -1.03 -4.87 118.16 115.37 3gqi n LYS 763 Ca 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 3gqi n LYS 763 Cb 0.06 -1.29 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 3gqi n LYS 763 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3gqi n ILE 764 N -2.10 0.26 -1.65 0.58 2.08 -0.83 -5.11 119.36 112.59 3gqi n ILE 764 Ca -0.08 0.09 -0.58 0.00 0.56 0.00 0.00 62.75 62.74 3gqi n ILE 764 Cb 0.51 -1.07 -0.07 0.00 -0.75 0.00 0.00 39.64 38.26 3gqi n ILE 764 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gqi n GLY 765 N 2.44 0.44 0.00 7.39 0.00 0.21 -4.95 105.19 110.71 3gqi n GLY 765 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.87 3gqi n GLY 765 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gqi n THR 766 N 3.37 0.00 -4.49 2.61 -2.24 -1.13 -4.72 114.28 107.69 3gqi n THR 766 Ca 0.24 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.73 3gqi n THR 766 Cb 0.10 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 3gqi n THR 766 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqi s ALA 767 N -2.63 2.36 0.08 6.98 0.00 -1.26 -4.97 121.76 122.32 3gqi s ALA 767 Ca 0.00 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.25 3gqi s ALA 767 Cb 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 3gqi s ALA 767 CO 0.00 0.54 0.89 -1.83 0.00 0.00 0.00 175.76 175.36 3gqi s GLU 768 N -1.90 4.62 0.00 0.00 1.03 -1.26 -4.79 118.70 116.40 3gqi s GLU 768 Ca 0.14 1.30 0.00 0.00 0.03 0.00 0.00 54.97 56.44 3gqi s GLU 768 Cb -0.10 -3.37 0.00 0.00 -0.80 0.00 0.00 34.13 29.86 3gqi s GLU 768 CO 0.05 0.23 0.00 -2.30 -1.33 0.00 0.00 175.26 171.92 3gqi n PRO 769 N 2.82 0.81 0.00 -4.83 -0.02 -1.26 -5.02 135.00 127.50 3gqi n PRO 769 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3gqi n PRO 769 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3gqi n PRO 769 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23