#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvw s MET 567 N 0.00 0.27 -0.21 3.69 -2.45 -1.26 -5.15 119.30 114.20 1nvw s MET 567 Ca 0.00 0.59 -0.24 0.00 -1.25 0.00 0.00 55.69 54.78 1nvw s MET 567 Cb 0.00 0.25 -0.01 0.00 1.25 0.00 0.00 34.83 36.32 1nvw s MET 567 CO 0.00 -0.08 0.80 1.03 1.05 0.00 0.00 175.02 177.82 1nvw s ARG 568 N 1.93 4.23 0.68 4.11 0.52 -1.26 -5.06 118.95 124.10 1nvw s ARG 568 Ca -0.05 0.92 -0.10 0.00 -0.52 0.00 0.00 55.73 55.99 1nvw s ARG 568 Cb -0.04 -3.61 0.02 0.00 0.52 0.00 0.00 34.95 31.84 1nvw s ARG 568 CO -0.16 -0.40 1.05 -0.51 0.02 0.00 0.00 175.30 175.29 1nvw s LEU 569 N 2.44 2.95 1.09 2.53 2.01 -1.26 -5.04 118.68 123.40 1nvw s LEU 569 Ca 0.35 0.95 -0.12 0.00 0.01 0.00 0.00 54.13 55.32 1nvw s LEU 569 Cb -0.16 -3.72 0.24 0.00 0.01 0.00 0.00 46.19 42.57 1nvw s LEU 569 CO 0.10 -1.33 1.06 -2.84 1.01 0.00 0.00 176.35 174.34 1nvw s PRO 570 N -5.27 -0.33 0.19 1.29 0.02 -1.26 -4.92 135.00 124.71 1nvw s PRO 570 Ca 0.57 0.78 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 1nvw s PRO 570 Cb -0.11 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.70 1nvw s PRO 570 CO 0.49 -3.31 1.33 0.45 -0.33 0.00 0.00 177.00 175.63 1nvw s SER 571 N -2.85 6.87 0.00 2.53 0.15 -1.26 -4.87 113.70 114.27 1nvw s SER 571 Ca 0.67 2.41 0.06 0.00 0.70 0.00 0.00 55.95 59.79 1nvw s SER 571 Cb -0.23 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 61.78 1nvw s SER 571 CO 0.62 -0.56 1.08 0.00 1.20 0.00 0.00 173.24 175.57 1nvw n ALA 572 N 2.84 1.44 0.57 5.45 0.00 -1.26 -1.43 120.51 128.12 1nvw n ALA 572 Ca 0.07 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1nvw n ALA 572 Cb 0.42 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 18.86 1nvw n ALA 572 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nvw n ASP 573 N -1.32 0.65 0.00 0.00 8.00 -1.26 -4.13 116.55 118.48 1nvw n ASP 573 Ca 0.03 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1nvw n ASP 573 Cb 0.05 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1nvw n ASP 573 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1nvw n VAL 574 N -2.02 0.00 -3.34 2.53 0.24 -0.55 -4.91 118.33 110.27 1nvw n VAL 574 Ca 0.02 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.73 1nvw n VAL 574 Cb 0.44 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 1nvw n VAL 574 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1nvw s TYR 575 N -0.50 -0.63 0.34 6.34 5.04 -0.51 -4.95 117.35 122.48 1nvw s TYR 575 Ca 0.00 -0.33 0.08 0.00 -2.44 0.00 0.00 57.07 54.38 1nvw s TYR 575 Cb 0.00 -0.29 0.78 0.00 0.35 0.00 0.00 41.96 42.80 1nvw s TYR 575 CO 0.00 -0.98 1.84 0.07 -1.34 0.00 0.00 175.55 175.14 1nvw h ARG 576 N 7.56 0.71 -0.14 4.97 0.11 -1.83 -2.09 114.38 123.66 1nvw h ARG 576 Ca -0.02 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1nvw h ARG 576 Cb 1.09 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1nvw h ARG 576 CO 0.23 0.47 0.00 1.19 0.10 0.00 0.00 179.97 181.97 1nvw n PHE 577 N -4.61 0.00 0.07 4.08 3.01 -1.26 -1.49 117.46 117.26 1nvw n PHE 577 Ca 0.19 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.71 1nvw n PHE 577 Cb 0.50 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.87 1nvw n PHE 577 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nvw n ALA 578 N -0.08 2.59 -1.60 4.37 0.00 -0.79 -4.99 120.51 120.02 1nvw n ALA 578 Ca 0.00 -0.28 -0.53 0.00 0.00 0.00 0.00 53.44 52.63 1nvw n ALA 578 Cb 0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 1nvw n ALA 578 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nvw n GLU 579 N -1.81 1.12 -1.60 0.00 -0.58 -0.56 -4.87 120.64 112.34 1nvw n GLU 579 Ca -0.02 0.40 -0.35 0.00 -0.42 0.00 0.00 57.16 56.78 1nvw n GLU 579 Cb 0.29 -2.05 0.07 0.00 -0.57 0.00 0.00 31.44 29.18 1nvw n GLU 579 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1nvw s PRO 580 N 0.77 2.40 0.29 3.49 0.04 -1.26 -4.96 135.00 135.78 1nvw s PRO 580 Ca 0.86 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.36 1nvw s PRO 580 Cb -0.97 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 31.60 1nvw s PRO 580 CO 0.49 -1.63 1.43 -0.51 0.04 0.00 0.00 177.00 176.81 1nvw s ASP 581 N -1.97 6.61 0.05 6.66 1.01 -1.26 -5.00 116.67 122.77 1nvw s ASP 581 Ca 0.75 2.76 -0.09 0.00 0.71 0.00 0.00 52.55 56.67 1nvw s ASP 581 Cb -0.29 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.01 1nvw s ASP 581 CO 0.42 -0.70 0.20 -0.94 0.21 0.00 0.00 175.17 174.36 1nvw s SER 582 N 0.07 0.04 0.00 0.27 1.04 -1.26 -5.01 113.70 108.85 1nvw s SER 582 Ca 0.56 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1nvw s SER 582 Cb -0.43 0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1nvw s SER 582 CO 0.49 -0.59 0.74 -0.62 0.98 0.00 0.00 173.24 174.25 1nvw n GLU 583 N 0.56 0.00 -0.04 4.02 -0.58 -1.26 -1.17 120.64 122.17 1nvw n GLU 583 Ca -0.18 0.27 0.08 0.00 -0.42 0.00 0.00 57.16 56.91 1nvw n GLU 583 Cb 0.59 -1.57 0.09 0.00 -0.57 0.00 0.00 31.44 29.98 1nvw n GLU 583 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nvw n GLU 584 N -1.24 1.40 0.00 3.49 1.02 -1.26 -4.59 120.64 119.45 1nvw n GLU 584 Ca 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 1nvw n GLU 584 Cb 0.07 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1nvw n GLU 584 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1nvw n ASN 585 N 0.88 0.00 -3.64 1.62 0.23 -0.32 -4.91 115.26 109.11 1nvw n ASN 585 Ca 0.10 -0.11 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 1nvw n ASN 585 Cb 0.40 0.20 -0.05 0.00 -2.08 0.00 0.00 39.78 38.25 1nvw n ASN 585 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1nvw s ILE 586 N -0.20 -0.71 -0.13 1.53 2.07 -0.90 -1.27 121.20 121.58 1nvw s ILE 586 Ca 0.00 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1nvw s ILE 586 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 1nvw s ILE 586 CO 0.00 0.00 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.28 1nvw s ILE 587 N 2.54 3.10 0.22 2.00 1.01 0.12 -4.45 121.20 125.74 1nvw s ILE 587 Ca -0.07 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1nvw s ILE 587 Cb -0.10 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1nvw s ILE 587 CO -0.19 0.52 0.37 -0.36 0.00 0.00 0.00 174.94 175.27 1nvw s PHE 588 N 0.38 3.47 0.16 3.97 0.08 -1.26 -0.18 117.98 124.60 1nvw s PHE 588 Ca -0.10 0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.79 1nvw s PHE 588 Cb -0.16 -1.69 -0.07 0.00 -0.57 0.00 0.00 43.02 40.53 1nvw s PHE 588 CO 0.05 0.41 0.96 -2.00 -0.10 0.00 0.00 175.22 174.55 1nvw s GLU 589 N -3.67 4.75 0.00 0.44 2.56 0.15 -4.58 118.70 118.35 1nvw s GLU 589 Ca 0.36 1.48 0.00 0.00 0.00 0.00 0.00 54.97 56.81 1nvw s GLU 589 Cb -0.10 -3.34 0.00 0.00 2.00 0.00 0.00 34.13 32.69 1nvw s GLU 589 CO 0.30 0.31 0.83 0.39 -0.56 0.00 0.00 175.26 176.53 1nvw n GLU 590 N 2.30 0.00 0.00 4.30 4.71 -1.26 -4.72 120.64 125.96 1nvw n GLU 590 Ca 0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 57.16 56.77 1nvw n GLU 590 Cb 0.48 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1nvw n GLU 590 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nvw n GLY 597 N 3.70 -0.83 3.72 0.62 0.00 -1.26 -5.13 105.19 106.02 1nvw n GLY 597 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1nvw n GLY 597 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nvw s ILE 598 N 0.00 2.37 0.62 -0.61 -4.36 -1.26 -4.97 121.20 112.99 1nvw s ILE 598 Ca 0.00 0.18 -0.17 0.00 -0.26 0.00 0.00 60.65 60.40 1nvw s ILE 598 Cb 0.00 -2.73 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 1nvw s ILE 598 CO 0.00 -0.10 1.16 -2.84 0.24 0.00 0.00 174.94 173.40 1nvw s PRO 599 N -3.96 2.88 -0.18 0.37 0.02 -1.26 -5.03 135.00 127.85 1nvw s PRO 599 Ca 0.73 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1nvw s PRO 599 Cb -0.28 -1.94 0.01 0.00 0.02 0.00 0.00 34.50 32.31 1nvw s PRO 599 CO 0.46 -1.24 -0.17 0.42 -0.33 0.00 0.00 177.00 176.14 1nvw s ILE 600 N -1.89 2.35 -0.11 2.83 1.01 -1.26 -5.05 121.20 119.07 1nvw s ILE 600 Ca 0.73 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 1nvw s ILE 600 Cb -0.26 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1nvw s ILE 600 CO 0.36 0.52 1.05 -0.63 0.00 0.00 0.00 174.94 176.24 1nvw s ILE 601 N 1.17 4.67 -0.10 2.92 1.09 -1.26 0.34 121.20 130.03 1nvw s ILE 601 Ca 0.02 1.95 -0.12 0.00 -1.10 0.00 0.00 60.65 61.40 1nvw s ILE 601 Cb -0.14 -4.26 -0.27 0.00 -1.06 0.00 0.00 42.46 36.73 1nvw s ILE 601 CO -0.08 -0.02 0.50 0.50 -0.10 0.00 0.00 174.94 175.74 1nvw h LYS 602 N 7.22 0.27 -2.68 2.79 3.64 -0.81 -3.38 116.57 123.61 1nvw h LYS 602 Ca -0.30 -0.46 0.08 0.00 -1.27 0.00 0.00 60.65 58.70 1nvw h LYS 602 Cb 1.14 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 33.04 1nvw h LYS 602 CO 0.88 1.22 0.35 0.00 -2.27 0.00 0.00 179.45 179.62 1nvw s ALA 603 N -2.52 -1.55 0.00 5.00 0.00 -0.69 -1.94 121.76 120.07 1nvw s ALA 603 Ca -0.20 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1nvw s ALA 603 Cb 0.05 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1nvw s ALA 603 CO 0.78 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1nvw n GLY 604 N -0.40 -0.59 3.88 0.00 0.00 -0.92 0.16 105.19 107.32 1nvw n GLY 604 Ca -0.09 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1nvw n GLY 604 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nvw s THR 605 N -2.00 4.50 0.21 2.61 -4.23 -0.40 0.27 115.64 116.61 1nvw s THR 605 Ca 0.00 0.66 -0.09 0.00 -1.18 0.00 0.00 61.69 61.08 1nvw s THR 605 Cb 0.00 -3.79 0.15 0.00 1.34 0.00 0.00 72.50 70.20 1nvw s THR 605 CO 0.00 -0.99 1.78 0.58 -0.54 0.00 0.00 174.62 175.46 1nvw h VAL 606 N -0.27 0.88 -0.02 2.29 2.07 -1.93 0.21 116.25 119.48 1nvw h VAL 606 Ca -0.45 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1nvw h VAL 606 Cb 1.21 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1nvw h VAL 606 CO 0.62 0.11 -0.13 0.40 0.02 0.00 0.00 177.57 178.59 1nvw h ILE 607 N 0.58 0.68 -0.62 4.57 1.08 -1.96 -0.32 117.51 121.51 1nvw h ILE 607 Ca 0.31 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.75 1nvw h ILE 607 Cb 0.29 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1nvw h ILE 607 CO -0.23 0.00 0.27 0.11 -0.69 0.00 0.00 178.15 177.61 1nvw h LYS 608 N -0.21 0.89 -0.61 2.37 6.56 -1.64 -1.38 116.57 122.56 1nvw h LYS 608 Ca 0.05 -0.13 -0.05 0.00 -1.06 0.00 0.00 60.65 59.47 1nvw h LYS 608 Cb 0.27 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 1nvw h LYS 608 CO -0.14 0.71 0.19 -0.07 -2.06 0.00 0.00 179.45 178.08 1nvw h LEU 609 N 0.88 0.88 -0.93 2.94 4.07 -0.19 -1.80 115.31 121.17 1nvw h LEU 609 Ca 0.21 -0.20 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 1nvw h LEU 609 Cb 0.13 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1nvw h LEU 609 CO -0.02 0.85 -0.51 0.40 -1.08 0.00 0.00 178.44 178.08 1nvw h ILE 610 N 0.86 1.28 -0.40 1.22 2.04 -0.65 0.18 117.51 122.04 1nvw h ILE 610 Ca 0.20 -1.78 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 1nvw h ILE 610 Cb 0.28 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1nvw h ILE 610 CO -0.01 0.50 -0.00 -0.08 0.00 0.00 0.00 178.15 178.56 1nvw h GLU 611 N 0.00 0.71 -0.14 2.37 4.81 -0.83 -2.57 114.58 118.93 1nvw h GLU 611 Ca -0.01 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 58.85 1nvw h GLU 611 Cb 0.94 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1nvw h GLU 611 CO 0.07 0.80 -0.56 0.00 -0.73 0.00 0.00 179.01 178.59 1nvw h ARG 612 N 0.54 0.42 -0.07 1.92 2.47 -1.11 -0.27 114.38 118.28 1nvw h ARG 612 Ca 0.11 -0.27 0.02 0.00 -1.26 0.00 0.00 59.98 58.58 1nvw h ARG 612 Cb 0.48 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1nvw h ARG 612 CO 0.02 0.87 0.08 1.25 0.56 0.00 0.00 179.97 182.75 1nvw h LEU 613 N 0.32 0.00 -4.11 3.04 5.85 -0.72 -2.63 115.31 117.06 1nvw h LEU 613 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.47 1nvw h LEU 613 Cb 1.08 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.76 1nvw h LEU 613 CO 0.10 0.00 -0.95 0.35 -0.34 0.00 0.00 178.44 177.60 1nvw n THR 614 N -3.74 1.33 -0.83 1.05 -2.24 -0.99 -4.83 114.28 104.04 1nvw n THR 614 Ca -0.01 -2.74 -0.32 0.00 -2.27 0.00 0.00 64.05 58.70 1nvw n THR 614 Cb 0.18 0.50 0.14 0.00 -2.10 0.00 0.00 70.33 69.05 1nvw n THR 614 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nvw n TYR 615 N -0.41 0.24 0.63 4.78 9.36 -0.14 -4.59 117.16 127.02 1nvw n TYR 615 Ca 0.16 0.35 0.09 0.00 3.32 0.00 0.00 57.90 61.83 1nvw n TYR 615 Cb 0.91 -1.96 -0.12 0.00 -0.63 0.00 0.00 39.34 37.54 1nvw n TYR 615 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1nvw n HIS 616 N -3.78 0.00 -0.04 2.98 1.44 -1.26 -4.65 115.22 109.91 1nvw n HIS 616 Ca 0.11 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1nvw n HIS 616 Cb 0.52 -0.14 -0.00 0.00 0.12 0.00 0.00 29.99 30.49 1nvw n HIS 616 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1nvw h MET 617 N 0.00 0.00 0.00 -1.40 2.86 -1.93 -3.47 114.93 110.99 1nvw h MET 617 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nvw h MET 617 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1nvw h MET 617 CO 0.00 0.00 0.00 2.48 1.06 0.00 0.00 176.91 180.45 1nvw n TYR 618 N -4.16 -0.43 -4.14 -0.22 0.18 -1.26 -5.16 117.16 101.96 1nvw n TYR 618 Ca -0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1nvw n TYR 618 Cb 0.01 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 1nvw n TYR 618 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1nvw s ALA 619 N -2.00 0.87 -0.50 -3.48 0.00 -1.26 -4.73 121.76 110.66 1nvw s ALA 619 Ca 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.78 1nvw s ALA 619 Cb 0.00 0.15 0.19 0.00 0.00 0.00 0.00 23.12 23.46 1nvw s ALA 619 CO 0.00 -0.21 0.75 0.34 0.00 0.00 0.00 175.76 176.64 1nvw s ASP 620 N -2.80 -1.37 0.54 0.00 2.15 -1.26 -4.98 116.67 108.96 1nvw s ASP 620 Ca 0.08 -1.54 0.28 0.00 0.43 0.00 0.00 52.55 51.80 1nvw s ASP 620 Cb 0.03 1.79 1.45 0.00 -0.30 0.00 0.00 42.92 45.89 1nvw s ASP 620 CO -0.04 -0.06 1.94 -0.65 -0.17 0.00 0.00 175.17 176.19 1nvw h PRO 621 N 5.14 0.00 -0.50 4.34 0.11 -1.99 0.24 132.00 139.34 1nvw h PRO 621 Ca 0.05 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1nvw h PRO 621 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1nvw h PRO 621 CO 0.01 0.00 0.20 -0.97 -0.21 0.00 0.00 178.00 177.03 1nvw h ASN 622 N 0.00 0.64 -0.17 -2.05 -1.24 -2.00 -2.51 115.58 108.25 1nvw h ASN 622 Ca 0.33 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.19 1nvw h ASN 622 Cb 1.34 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 40.22 1nvw h ASN 622 CO -0.00 0.58 -0.18 0.15 -1.29 0.00 0.00 177.43 176.69 1nvw h PHE 623 N 0.71 0.51 -0.68 0.67 3.57 -0.93 -2.43 116.94 118.35 1nvw h PHE 623 Ca 0.17 -0.15 0.11 0.00 3.53 0.00 0.00 57.97 61.62 1nvw h PHE 623 Cb 0.13 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 1nvw h PHE 623 CO 0.01 0.80 0.29 0.28 -2.23 0.00 0.00 178.31 177.46 1nvw h VAL 624 N 0.07 0.76 -0.06 1.41 2.07 -1.26 0.16 116.25 119.40 1nvw h VAL 624 Ca 0.03 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1nvw h VAL 624 Cb 0.72 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1nvw h VAL 624 CO 0.04 0.09 -0.04 -0.09 0.02 0.00 0.00 177.57 177.59 1nvw h ARG 625 N 0.48 0.14 -0.38 1.57 2.43 -1.47 -0.18 114.38 116.97 1nvw h ARG 625 Ca 0.35 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.53 1nvw h ARG 625 Cb 0.45 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.92 1nvw h ARG 625 CO -0.32 0.55 -0.12 1.15 -1.51 0.00 0.00 179.97 179.72 1nvw h THR 626 N -0.27 0.57 0.49 0.20 2.02 -0.91 -0.49 112.91 114.52 1nvw h THR 626 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1nvw h THR 626 Cb 0.52 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1nvw h THR 626 CO 0.01 0.00 -0.24 0.15 0.37 0.00 0.00 175.52 175.81 1nvw h PHE 627 N -0.03 -0.61 0.00 3.16 3.04 -0.67 -2.14 116.94 119.69 1nvw h PHE 627 Ca 0.19 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1nvw h PHE 627 Cb 0.31 0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 1nvw h PHE 627 CO -0.36 -0.31 -0.00 -0.07 -2.02 0.00 0.00 178.31 175.55 1nvw h LEU 628 N -0.83 0.00 0.00 0.59 3.38 -0.86 -0.58 115.31 117.01 1nvw h LEU 628 Ca -0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1nvw h LEU 628 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1nvw h LEU 628 CO 0.11 0.00 -1.22 0.74 0.09 0.00 0.00 178.44 178.16 1nvw h THR 629 N 0.00 1.12 0.00 0.22 2.02 -0.89 -3.41 112.91 111.97 1nvw h THR 629 Ca -0.00 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1nvw h THR 629 Cb 0.01 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1nvw h THR 629 CO 0.00 0.64 0.00 0.35 0.37 0.00 0.00 175.52 176.88 1nvw n THR 630 N -3.16 0.00 0.29 3.16 -2.24 -0.80 -4.82 114.28 106.72 1nvw n THR 630 Ca -0.07 -0.43 0.16 0.00 -2.27 0.00 0.00 64.05 61.45 1nvw n THR 630 Cb 0.93 1.09 0.93 0.00 -2.10 0.00 0.00 70.33 71.18 1nvw n THR 630 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1nvw h TYR 631 N 0.00 0.00 0.00 4.78 -0.00 -1.37 -3.16 116.97 117.22 1nvw h TYR 631 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1nvw h TYR 631 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.77 1nvw h TYR 631 CO 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 178.16 178.29 1nvw h ARG 632 N 0.00 0.00 0.00 0.10 3.08 -1.86 0.07 114.38 115.78 1nvw h ARG 632 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1nvw h ARG 632 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1nvw h ARG 632 CO -0.00 0.00 -0.49 0.66 -1.07 0.00 0.00 179.97 179.07 1nvw h SER 633 N 0.00 0.00 0.00 7.04 4.64 -1.96 -3.36 113.55 119.91 1nvw h SER 633 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nvw h SER 633 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1nvw h SER 633 CO 0.00 0.37 0.00 2.22 -0.87 0.00 0.00 176.83 178.55 1nvw n PHE 634 N -3.15 0.00 -3.64 4.77 1.16 -0.43 -5.02 117.46 111.15 1nvw n PHE 634 Ca 0.01 -0.22 -0.06 0.00 -1.87 0.00 0.00 57.45 55.32 1nvw n PHE 634 Cb 0.69 -0.02 -0.07 0.00 -1.61 0.00 0.00 39.48 38.47 1nvw n PHE 634 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nvw s LYS 636 N 1.04 3.61 0.10 0.00 1.02 -1.26 -3.72 119.74 120.52 1nvw s LYS 636 Ca -0.05 0.89 -0.28 0.00 0.02 0.00 0.00 55.97 56.55 1nvw s LYS 636 Cb -0.04 -2.08 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 1nvw s LYS 636 CO -0.13 -0.56 1.66 -1.35 -0.92 0.00 0.00 175.35 174.05 1nvw h PRO 637 N 0.13 -0.47 -0.85 -1.68 0.11 -1.95 0.46 132.00 127.76 1nvw h PRO 637 Ca -0.45 0.03 0.19 0.00 0.11 0.00 0.00 66.00 65.88 1nvw h PRO 637 Cb 1.19 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 1nvw h PRO 637 CO 0.61 -0.32 0.57 1.96 -0.21 0.00 0.00 178.00 180.61 1nvw h GLN 638 N -0.49 0.39 0.07 1.05 1.08 -1.99 -0.33 115.11 114.90 1nvw h GLN 638 Ca -0.01 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 56.90 1nvw h GLN 638 Cb 0.45 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1nvw h GLN 638 CO -0.04 0.26 -1.13 1.49 -0.95 0.00 0.00 178.83 178.46 1nvw h GLU 639 N 0.41 0.49 -0.66 1.46 4.57 -1.82 -2.52 114.58 116.50 1nvw h GLU 639 Ca 0.44 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1nvw h GLU 639 Cb 1.07 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 1nvw h GLU 639 CO -0.15 1.25 0.42 1.25 -1.18 0.00 0.00 179.01 180.59 1nvw h LEU 640 N 0.23 0.78 -0.36 1.64 6.46 0.72 -1.32 115.31 123.46 1nvw h LEU 640 Ca -0.14 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 1nvw h LEU 640 Cb 1.80 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.52 1nvw h LEU 640 CO 0.20 0.59 0.04 0.25 -0.62 0.00 0.00 178.44 178.90 1nvw h LEU 641 N 0.90 0.60 -0.48 2.25 5.85 -1.27 -1.60 115.31 121.54 1nvw h LEU 641 Ca 0.24 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1nvw h LEU 641 Cb -0.06 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1nvw h LEU 641 CO -0.05 0.72 0.26 0.28 -0.34 0.00 0.00 178.44 179.31 1nvw h SER 642 N 0.44 0.38 -0.51 1.25 0.02 -1.19 -1.19 113.55 112.76 1nvw h SER 642 Ca 0.11 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1nvw h SER 642 Cb 0.40 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1nvw h SER 642 CO 0.01 0.27 0.30 -0.07 -1.14 0.00 0.00 176.83 176.19 1nvw h LEU 643 N 0.51 0.62 -0.81 5.07 3.38 -1.05 -1.01 115.31 122.00 1nvw h LEU 643 Ca 0.21 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1nvw h LEU 643 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1nvw h LEU 643 CO -0.13 0.51 -0.31 0.16 0.09 0.00 0.00 178.44 178.76 1nvw h ILE 644 N 0.68 0.67 -0.35 1.22 3.07 -1.04 -0.18 117.51 121.59 1nvw h ILE 644 Ca 0.18 -1.43 -0.13 0.00 1.55 0.00 0.00 64.86 65.04 1nvw h ILE 644 Cb 0.01 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 1nvw h ILE 644 CO -0.03 0.30 -0.27 0.40 -1.05 0.00 0.00 178.15 177.50 1nvw h ILE 645 N 0.00 1.29 -0.76 0.16 2.04 -0.86 0.74 117.51 120.12 1nvw h ILE 645 Ca -0.00 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1nvw h ILE 645 Cb 0.92 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 1nvw h ILE 645 CO 0.04 0.47 0.28 -0.33 0.00 0.00 0.00 178.15 178.61 1nvw h GLU 646 N 0.58 1.15 -0.88 2.37 5.08 -0.83 -1.62 114.58 120.43 1nvw h GLU 646 Ca 0.06 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1nvw h GLU 646 Cb 0.84 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1nvw h GLU 646 CO 0.07 0.95 0.53 -0.09 -1.00 0.00 0.00 179.01 179.47 1nvw h ARG 647 N 1.11 1.19 -0.13 2.33 9.65 -0.70 -2.50 114.38 125.33 1nvw h ARG 647 Ca 0.25 -0.11 -0.10 0.00 -1.10 0.00 0.00 59.98 58.92 1nvw h ARG 647 Cb 0.25 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1nvw h ARG 647 CO -0.02 0.83 -0.36 0.35 2.80 0.00 0.00 179.97 183.58 1nvw h PHE 648 N 1.21 0.31 0.00 2.20 3.57 -0.29 -3.36 116.94 120.58 1nvw h PHE 648 Ca 0.31 -0.08 -0.65 0.00 3.53 0.00 0.00 57.97 61.09 1nvw h PHE 648 Cb -0.05 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1nvw h PHE 648 CO -0.00 0.60 3.15 0.39 -2.23 0.00 0.00 178.31 180.22 1nvw n GLU 649 N -4.07 2.79 -2.89 1.11 4.71 -0.66 -4.86 120.64 116.77 1nvw n GLU 649 Ca -0.01 -2.23 -0.41 0.00 -0.01 0.00 0.00 57.16 54.50 1nvw n GLU 649 Cb 0.45 -2.99 -0.04 0.00 -1.01 0.00 0.00 31.44 27.84 1nvw n GLU 649 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1nvw s ILE 650 N 3.22 4.93 0.15 -3.67 1.01 -1.26 -4.99 121.20 120.58 1nvw s ILE 650 Ca 0.54 1.74 -0.30 0.00 0.00 0.00 0.00 60.65 62.63 1nvw s ILE 650 Cb 0.15 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 1nvw s ILE 650 CO -0.04 0.23 0.97 -2.16 0.00 0.00 0.00 174.94 173.94 1nvw s PRO 651 N 0.79 4.73 0.38 2.79 0.04 -1.26 -5.03 135.00 137.43 1nvw s PRO 651 Ca 0.44 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.73 1nvw s PRO 651 Cb -0.20 -3.34 -0.10 0.00 0.04 0.00 0.00 34.50 30.91 1nvw s PRO 651 CO 0.23 0.27 0.99 -1.21 0.04 0.00 0.00 177.00 177.33 1nvw s GLU 652 N -0.33 4.31 0.90 4.56 2.02 -1.26 -4.88 118.70 124.02 1nvw s GLU 652 Ca 0.46 1.37 -0.11 0.00 0.02 0.00 0.00 54.97 56.70 1nvw s GLU 652 Cb -0.25 -2.54 0.13 0.00 0.10 0.00 0.00 34.13 31.57 1nvw s GLU 652 CO 0.31 0.02 1.09 -1.25 0.02 0.00 0.00 175.26 175.45 1nvw s PRO 653 N -2.50 1.20 0.28 0.39 0.04 -1.26 -5.03 135.00 128.12 1nvw s PRO 653 Ca 0.56 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1nvw s PRO 653 Cb -0.18 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1nvw s PRO 653 CO 0.23 -2.33 0.79 -1.21 0.04 0.00 0.00 177.00 174.52 1nvw s GLU 654 N -4.84 4.25 0.33 4.56 0.41 -1.26 -5.00 118.70 117.15 1nvw s GLU 654 Ca 0.64 0.92 -0.27 0.00 -0.41 0.00 0.00 54.97 55.86 1nvw s GLU 654 Cb -0.19 -2.69 -0.13 0.00 -1.78 0.00 0.00 34.13 29.33 1nvw s GLU 654 CO 0.58 0.28 0.97 -2.30 -0.49 0.00 0.00 175.26 174.30 1nvw n PRO 655 N 0.31 1.29 -1.70 0.39 -0.02 -1.26 -4.96 135.00 129.06 1nvw n PRO 655 Ca 0.01 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1nvw n PRO 655 Cb 0.52 -1.87 0.21 0.00 -0.02 0.00 0.00 33.50 32.34 1nvw n PRO 655 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nvw s THR 656 N -1.15 1.88 0.19 3.45 -4.23 -1.26 -4.77 115.64 109.75 1nvw s THR 656 Ca 0.60 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.01 1nvw s THR 656 Cb -0.65 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 70.44 1nvw s THR 656 CO 0.59 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.33 1nvw h GLU 657 N -1.97 1.05 -0.37 3.99 4.57 -1.99 -1.41 114.58 118.44 1nvw h GLU 657 Ca -0.44 -0.21 0.05 0.00 -1.18 0.00 0.00 59.36 57.58 1nvw h GLU 657 Cb 1.24 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 1nvw h GLU 657 CO 0.34 0.89 0.10 0.00 -1.18 0.00 0.00 179.01 179.15 1nvw h ALA 658 N 1.11 0.41 -0.11 2.92 0.00 -2.00 -1.16 119.26 120.43 1nvw h ALA 658 Ca 0.23 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1nvw h ALA 658 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nvw h ALA 658 CO -0.01 -0.30 0.07 -0.44 0.00 0.00 0.00 179.25 178.56 1nvw h ASP 659 N 0.23 0.14 -0.93 0.00 3.32 -1.83 -1.85 116.42 115.49 1nvw h ASP 659 Ca 0.17 -0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.29 1nvw h ASP 659 Cb 0.18 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 1nvw h ASP 659 CO -0.21 0.14 0.56 0.03 -1.72 0.00 0.00 179.24 178.05 1nvw h ARG 660 N 0.12 0.86 -0.11 3.56 3.08 -0.93 0.97 114.38 121.93 1nvw h ARG 660 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1nvw h ARG 660 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1nvw h ARG 660 CO -0.01 0.57 0.07 0.82 -1.07 0.00 0.00 179.97 180.35 1nvw h ILE 661 N 0.89 1.02 0.05 2.04 1.08 -0.71 0.01 117.51 121.88 1nvw h ILE 661 Ca 0.47 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.89 1nvw h ILE 661 Cb 0.48 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1nvw h ILE 661 CO -0.27 0.03 -0.02 0.00 -0.69 0.00 0.00 178.15 177.19 1nvw h ALA 662 N 1.05 -0.06 -0.77 1.87 0.00 -0.42 -2.74 119.26 118.18 1nvw h ALA 662 Ca 0.04 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1nvw h ALA 662 Cb -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1nvw h ALA 662 CO -0.02 -0.47 0.44 0.82 0.00 0.00 0.00 179.25 180.02 1nvw h ILE 663 N -0.19 0.94 0.00 0.00 2.04 -0.75 0.12 117.51 119.66 1nvw h ILE 663 Ca -0.01 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1nvw h ILE 663 Cb 0.17 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1nvw h ILE 663 CO 0.01 0.14 0.00 -0.62 0.00 0.00 0.00 178.15 177.68 1nvw n GLU 664 N -4.75 0.14 -0.09 2.37 1.02 -0.02 -1.85 120.64 117.45 1nvw n GLU 664 Ca 0.12 0.19 0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1nvw n GLU 664 Cb 0.23 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.24 1nvw n GLU 664 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nvw n ASN 665 N -1.35 2.36 0.00 1.62 3.02 0.33 -4.98 115.26 116.27 1nvw n ASN 665 Ca 0.05 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 1nvw n ASN 665 Cb 0.12 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1nvw n ASN 665 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nvw n GLY 666 N 0.40 0.91 3.95 7.41 0.00 -0.77 -5.03 105.19 112.06 1nvw n GLY 666 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1nvw n GLY 666 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvw s ASP 667 N -2.93 6.14 0.06 1.61 1.01 -0.75 -4.99 116.67 116.82 1nvw s ASP 667 Ca 0.00 0.30 -0.30 0.00 0.71 0.00 0.00 52.55 53.26 1nvw s ASP 667 Cb 0.00 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 1nvw s ASP 667 CO 0.00 -0.39 1.01 -1.58 0.21 0.00 0.00 175.17 174.42 1nvw s GLN 668 N -4.33 4.60 0.46 8.23 2.00 -1.26 -3.63 119.66 125.73 1nvw s GLN 668 Ca 0.42 1.50 -0.23 0.00 -2.00 0.00 0.00 55.36 55.05 1nvw s GLN 668 Cb -0.10 -3.40 -0.08 0.00 0.80 0.00 0.00 33.01 30.24 1nvw s GLN 668 CO 0.35 0.03 1.13 -2.14 -0.50 0.00 0.00 175.29 174.16 1nvw s PRO 669 N 0.52 3.81 0.15 1.67 0.02 -1.26 -4.91 135.00 135.00 1nvw s PRO 669 Ca 0.51 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1nvw s PRO 669 Cb -0.24 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 1nvw s PRO 669 CO 0.29 -0.49 1.35 -0.07 -0.33 0.00 0.00 177.00 177.76 1nvw h LEU 670 N 2.01 0.33 -1.46 -5.54 3.38 -1.93 -3.48 115.31 108.63 1nvw h LEU 670 Ca -0.49 -0.27 -0.46 0.00 0.09 0.00 0.00 57.88 56.74 1nvw h LEU 670 Cb 1.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1nvw h LEU 670 CO 0.60 1.08 -0.81 -1.20 0.09 0.00 0.00 178.44 178.20 1nvw n SER 671 N -3.68 -2.50 0.17 -0.43 7.64 -1.26 -4.87 113.62 108.69 1nvw n SER 671 Ca -0.05 -0.85 0.05 0.00 1.01 0.00 0.00 58.87 59.04 1nvw n SER 671 Cb 0.82 -3.75 0.49 0.00 -1.01 0.00 0.00 64.21 60.77 1nvw n SER 671 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nvw h ALA 672 N 0.90 1.72 0.04 -0.43 0.00 -1.99 -1.91 119.26 117.60 1nvw h ALA 672 Ca -0.60 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 1nvw h ALA 672 Cb 1.37 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1nvw h ALA 672 CO 0.63 0.21 -0.68 0.93 0.00 0.00 0.00 179.25 180.34 1nvw h GLU 673 N 0.15 0.38 -0.80 0.00 4.39 -1.99 -2.20 114.58 114.51 1nvw h GLU 673 Ca 0.03 -0.47 0.02 0.00 0.34 0.00 0.00 59.36 59.28 1nvw h GLU 673 Cb 0.20 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1nvw h GLU 673 CO 0.01 1.15 0.52 1.25 -1.16 0.00 0.00 179.01 180.78 1nvw h LEU 674 N -0.17 0.89 -0.66 1.33 5.85 -1.90 0.10 115.31 120.76 1nvw h LEU 674 Ca -0.10 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.48 1nvw h LEU 674 Cb 1.42 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1nvw h LEU 674 CO 0.13 0.63 -0.32 0.11 -0.34 0.00 0.00 178.44 178.65 1nvw h LYS 675 N 1.05 0.69 -0.33 1.25 1.57 -1.41 -1.06 116.57 118.33 1nvw h LYS 675 Ca 0.31 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1nvw h LYS 675 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1nvw h LYS 675 CO -0.09 0.92 -0.37 -0.09 -0.57 0.00 0.00 179.45 179.25 1nvw h ARG 676 N 0.59 0.76 -0.28 3.15 2.43 -0.84 -1.55 114.38 118.63 1nvw h ARG 676 Ca 0.07 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 1nvw h ARG 676 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1nvw h ARG 676 CO 0.07 1.01 -0.19 0.35 -1.51 0.00 0.00 179.97 179.70 1nvw h PHE 677 N 0.63 0.56 -0.21 2.20 3.57 -0.55 0.60 116.94 123.74 1nvw h PHE 677 Ca 0.06 -0.10 -0.21 0.00 3.53 0.00 0.00 57.97 61.24 1nvw h PHE 677 Cb 0.92 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.52 1nvw h PHE 677 CO 0.05 0.67 -0.69 0.00 -2.23 0.00 0.00 178.31 176.11 1nvw h ARG 678 N 0.46 0.82 -0.01 1.11 3.08 -1.05 -1.42 114.38 117.37 1nvw h ARG 678 Ca 0.08 -0.61 -0.18 0.00 0.07 0.00 0.00 59.98 59.34 1nvw h ARG 678 Cb 0.59 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1nvw h ARG 678 CO 0.04 1.23 -0.81 -0.22 -1.07 0.00 0.00 179.97 179.14 1nvw h LYS 679 N 0.59 0.14 -0.00 0.04 3.64 -1.07 0.15 116.57 120.06 1nvw h LYS 679 Ca -0.03 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1nvw h LYS 679 Cb 1.31 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1nvw h LYS 679 CO 0.15 0.87 -0.49 0.39 -2.27 0.00 0.00 179.45 178.09 1nvw n GLU 680 N -3.68 2.27 0.08 1.90 1.02 0.19 -4.55 120.64 117.88 1nvw n GLU 680 Ca -0.03 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1nvw n GLU 680 Cb 0.76 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1nvw n GLU 680 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1nvw n TYR 681 N -0.85 -0.98 0.07 -0.32 4.19 -0.59 -4.79 117.16 113.89 1nvw n TYR 681 Ca 0.04 0.17 -0.13 0.00 3.31 0.00 0.00 57.90 61.29 1nvw n TYR 681 Cb 0.24 0.26 -0.08 0.00 0.49 0.00 0.00 39.34 40.26 1nvw n TYR 681 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1nvw h ILE 682 N 0.00 1.01 0.54 2.97 2.04 -1.45 -1.49 117.51 121.14 1nvw h ILE 682 Ca 0.00 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1nvw h ILE 682 Cb 0.10 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1nvw h ILE 682 CO 0.00 0.09 -0.51 -0.61 0.00 0.00 0.00 178.15 177.12 1nvw h GLN 683 N -0.29 -1.00 -0.68 2.37 5.75 -0.95 0.22 115.11 120.53 1nvw h GLN 683 Ca -0.01 0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1nvw h GLN 683 Cb 0.25 0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 1nvw h GLN 683 CO 0.02 -0.67 0.45 -1.00 -2.65 0.00 0.00 178.83 174.98 1nvw h PRO 684 N -1.04 0.81 -0.03 -2.39 0.13 -1.80 -1.03 132.00 126.65 1nvw h PRO 684 Ca -0.07 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1nvw h PRO 684 Cb 0.89 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1nvw h PRO 684 CO -0.04 0.53 -0.05 0.28 -0.23 0.00 0.00 178.00 178.49 1nvw h VAL 685 N 0.83 1.42 -0.63 1.56 2.07 -1.00 -1.43 116.25 119.07 1nvw h VAL 685 Ca 0.27 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1nvw h VAL 685 Cb 0.03 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1nvw h VAL 685 CO -0.07 0.36 0.30 1.56 0.02 0.00 0.00 177.57 179.74 1nvw h GLN 686 N -0.42 0.90 -0.31 1.57 4.20 -0.85 0.01 115.11 120.20 1nvw h GLN 686 Ca 0.00 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1nvw h GLN 686 Cb 0.60 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1nvw h GLN 686 CO 0.01 0.69 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.62 1nvw h LEU 687 N 0.89 0.69 -1.24 1.46 3.38 -1.20 -1.57 115.31 117.73 1nvw h LEU 687 Ca 0.22 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1nvw h LEU 687 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1nvw h LEU 687 CO -0.03 0.96 -0.36 0.03 0.09 0.00 0.00 178.44 179.13 1nvw h ARG 688 N 0.43 0.00 -0.30 1.13 3.08 -0.82 0.36 114.38 118.25 1nvw h ARG 688 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1nvw h ARG 688 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1nvw h ARG 688 CO 0.05 0.36 -0.05 0.28 -1.07 0.00 0.00 179.97 179.54 1nvw h VAL 689 N 0.00 1.27 -0.57 2.04 2.07 -0.76 -1.04 116.25 119.26 1nvw h VAL 689 Ca -0.00 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1nvw h VAL 689 Cb 0.70 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1nvw h VAL 689 CO 0.05 0.34 0.29 -0.07 0.02 0.00 0.00 177.57 178.20 1nvw h LEU 690 N 0.34 0.70 -0.40 2.57 3.38 -0.78 -1.46 115.31 119.65 1nvw h LEU 690 Ca 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1nvw h LEU 690 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1nvw h LEU 690 CO 0.03 0.58 0.17 -1.13 0.09 0.00 0.00 178.44 178.18 1nvw h ASN 691 N 0.79 0.55 -0.38 -0.43 -1.24 -0.61 0.94 115.58 115.20 1nvw h ASN 691 Ca 0.20 -0.16 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1nvw h ASN 691 Cb 0.05 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1nvw h ASN 691 CO -0.03 0.56 0.19 0.58 -1.29 0.00 0.00 177.43 177.45 1nvw h VAL 692 N 0.51 1.15 -0.39 2.57 2.07 -0.57 -1.44 116.25 120.15 1nvw h VAL 692 Ca 0.14 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 1nvw h VAL 692 Cb 0.18 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1nvw h VAL 692 CO -0.01 0.17 -0.34 0.00 0.02 0.00 0.00 177.57 177.41 1nvw h ARG 694 N 0.73 0.18 -0.45 0.00 2.43 -0.27 -1.69 114.38 115.30 1nvw h ARG 694 Ca 0.07 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1nvw h ARG 694 Cb 0.93 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1nvw h ARG 694 CO 0.09 0.26 -0.08 0.45 -1.51 0.00 0.00 179.97 179.17 1nvw h HIS 695 N 0.06 0.95 0.03 2.20 3.86 -1.29 0.42 115.15 121.39 1nvw h HIS 695 Ca 0.04 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1nvw h HIS 695 Cb 0.14 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 1nvw h HIS 695 CO -0.02 0.94 -0.29 2.35 0.86 0.00 0.00 177.93 181.77 1nvw h TRP 696 N 0.69 -0.79 -0.43 2.45 2.91 -0.71 0.54 115.95 120.62 1nvw h TRP 696 Ca 0.12 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.05 1nvw h TRP 696 Cb 0.62 0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 29.60 1nvw h TRP 696 CO 0.05 -0.39 -0.19 0.28 -1.03 0.00 0.00 178.44 177.16 1nvw h VAL 697 N -0.45 1.27 -0.18 2.65 2.07 -1.30 -1.68 116.25 118.63 1nvw h VAL 697 Ca 0.05 -1.31 -0.18 0.00 0.82 0.00 0.00 66.70 66.08 1nvw h VAL 697 Cb 0.53 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1nvw h VAL 697 CO -0.23 0.45 -0.63 -0.08 0.02 0.00 0.00 177.57 177.10 1nvw h GLU 698 N 0.75 0.65 0.00 1.57 4.81 -0.55 -3.31 114.58 118.50 1nvw h GLU 698 Ca 0.11 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1nvw h GLU 698 Cb 0.72 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1nvw h GLU 698 CO 0.06 1.07 -0.05 0.72 -0.73 0.00 0.00 179.01 180.08 1nvw n HIS 699 N -3.94 0.00 -2.37 0.92 8.25 0.15 -4.71 115.22 113.51 1nvw n HIS 699 Ca -0.05 -0.40 -0.01 0.00 -0.26 0.00 0.00 57.72 57.01 1nvw n HIS 699 Cb 0.66 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.72 1nvw n HIS 699 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nvw n HIS 700 N -0.48 -0.03 0.13 4.41 8.25 -0.64 -4.93 115.22 121.94 1nvw n HIS 700 Ca 0.03 -0.77 0.07 0.00 -0.26 0.00 0.00 57.72 56.79 1nvw n HIS 700 Cb 0.43 0.20 0.37 0.00 1.12 0.00 0.00 29.99 32.12 1nvw n HIS 700 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nvw n PHE 701 N 0.05 0.46 0.22 4.41 7.35 -1.19 -2.13 117.46 126.63 1nvw n PHE 701 Ca -0.08 0.24 0.05 0.00 -0.76 0.00 0.00 57.45 56.90 1nvw n PHE 701 Cb 0.94 -0.77 0.48 0.00 0.35 0.00 0.00 39.48 40.48 1nvw n PHE 701 CO 0.00 0.00 0.00 0.10 -0.76 0.00 0.00 176.76 176.10 1nvw h TYR 702 N 0.00 0.00 -0.41 -5.13 -0.00 -1.91 -0.75 116.97 108.76 1nvw h TYR 702 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.76 1nvw h TYR 702 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.03 1nvw h TYR 702 CO 0.00 0.21 0.28 -0.44 -0.00 0.00 0.00 178.16 178.21 1nvw h ASP 703 N 0.00 0.37 0.95 0.10 3.32 -1.81 -1.92 116.42 117.43 1nvw h ASP 703 Ca -0.00 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 1nvw h ASP 703 Cb 0.38 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1nvw h ASP 703 CO 0.03 0.26 -1.10 -0.26 -1.72 0.00 0.00 179.24 176.45 1nvw h PHE 704 N 0.43 0.00 0.00 4.55 0.04 -1.37 -2.98 116.94 117.62 1nvw h PHE 704 Ca 0.17 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.80 1nvw h PHE 704 Cb 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1nvw h PHE 704 CO -0.00 0.90 -0.67 0.93 -0.60 0.00 0.00 178.31 178.87 1nvw h GLU 705 N 0.00 0.00 0.00 1.51 5.08 -0.76 -3.10 114.58 117.30 1nvw h GLU 705 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1nvw h GLU 705 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1nvw h GLU 705 CO 0.11 0.67 -0.57 0.54 -1.00 0.00 0.00 179.01 178.76 1nvw n ARG 706 N -3.66 0.26 -3.60 2.33 1.74 -0.78 -4.63 116.66 108.31 1nvw n ARG 706 Ca -0.01 0.08 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 1nvw n ARG 706 Cb 0.68 -1.67 -0.14 0.00 -1.02 0.00 0.00 32.46 30.30 1nvw n ARG 706 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nvw s ASP 707 N -4.10 3.59 0.21 0.55 -1.08 -1.13 -5.01 116.67 109.71 1nvw s ASP 707 Ca 0.07 -1.71 -0.09 0.00 -0.52 0.00 0.00 52.55 50.30 1nvw s ASP 707 Cb 0.14 -0.59 0.15 0.00 -1.46 0.00 0.00 42.92 41.16 1nvw s ASP 707 CO 0.71 -0.39 1.82 0.00 0.52 0.00 0.00 175.17 177.82 1nvw h ALA 708 N 7.87 0.99 -0.62 3.66 0.00 -1.82 -2.59 119.26 126.75 1nvw h ALA 708 Ca -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1nvw h ALA 708 Cb 1.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1nvw h ALA 708 CO 0.42 0.52 0.30 -0.92 0.00 0.00 0.00 179.25 179.56 1nvw h TYR 709 N 1.07 0.86 -0.97 0.00 3.20 -1.95 -1.51 116.97 117.67 1nvw h TYR 709 Ca 0.27 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.15 1nvw h TYR 709 Cb 0.06 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.00 1nvw h TYR 709 CO 0.00 0.63 0.63 1.25 -1.64 0.00 0.00 178.16 179.04 1nvw h LEU 710 N 0.87 1.05 -0.57 2.82 5.85 -1.81 -0.99 115.31 122.51 1nvw h LEU 710 Ca 0.21 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 1nvw h LEU 710 Cb 0.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1nvw h LEU 710 CO -0.03 0.71 -0.36 0.25 -0.34 0.00 0.00 178.44 178.67 1nvw h LEU 711 N 1.21 0.78 -0.48 2.25 5.85 -1.19 -1.85 115.31 121.89 1nvw h LEU 711 Ca 0.39 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1nvw h LEU 711 Cb 0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1nvw h LEU 711 CO -0.13 1.06 0.24 1.56 -0.34 0.00 0.00 178.44 180.83 1nvw h GLN 712 N 0.61 0.68 -0.51 1.25 4.20 -0.57 -1.03 115.11 119.75 1nvw h GLN 712 Ca 0.06 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1nvw h GLN 712 Cb 0.90 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1nvw h GLN 712 CO 0.08 0.56 0.33 0.00 -0.67 0.00 0.00 178.83 179.14 1nvw h ARG 713 N 0.63 0.68 -0.37 1.46 3.08 -1.09 0.14 114.38 118.92 1nvw h ARG 713 Ca 0.17 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1nvw h ARG 713 Cb 0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1nvw h ARG 713 CO -0.02 0.46 0.18 1.98 -1.07 0.00 0.00 179.97 181.50 1nvw h MET 714 N 0.69 0.37 -0.47 0.04 4.05 -1.02 0.53 114.93 119.12 1nvw h MET 714 Ca 0.19 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1nvw h MET 714 Cb -0.07 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 1nvw h MET 714 CO -0.04 0.24 0.20 0.93 0.23 0.00 0.00 176.91 178.48 1nvw h GLU 715 N 0.38 0.69 0.20 0.39 5.08 -0.68 0.66 114.58 121.31 1nvw h GLU 715 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1nvw h GLU 715 Cb 0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1nvw h GLU 715 CO -0.10 0.61 -0.19 0.93 -1.00 0.00 0.00 179.01 179.26 1nvw h GLU 716 N 0.62 -0.40 0.19 2.33 4.39 -0.39 0.10 114.58 121.42 1nvw h GLU 716 Ca 0.16 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1nvw h GLU 716 Cb 0.17 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1nvw h GLU 716 CO -0.02 -0.27 -0.47 0.35 -1.16 0.00 0.00 179.01 177.45 1nvw h PHE 717 N -0.42 -1.35 -0.76 4.33 3.57 -0.65 0.03 116.94 121.69 1nvw h PHE 717 Ca -0.00 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.73 1nvw h PHE 717 Cb 0.39 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1nvw h PHE 717 CO -0.14 -0.55 0.54 0.82 -2.23 0.00 0.00 178.31 176.75 1nvw h ILE 718 N -0.73 0.65 0.00 1.41 1.08 -0.80 0.97 117.51 120.09 1nvw h ILE 718 Ca -0.02 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1nvw h ILE 718 Cb 0.71 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1nvw h ILE 718 CO -0.21 0.02 -0.10 0.61 -0.69 0.00 0.00 178.15 177.78 1nvw n GLY 719 N -1.65 -1.57 0.00 5.37 0.00 0.02 -3.23 105.19 104.12 1nvw n GLY 719 Ca 0.15 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1nvw n GLY 719 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nvw n THR 720 N -1.92 0.00 -1.99 2.61 -2.24 0.32 -4.86 114.28 106.21 1nvw n THR 720 Ca 0.06 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1nvw n THR 720 Cb 0.39 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1nvw n THR 720 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nvw s VAL 721 N -3.00 3.45 0.21 2.28 1.01 -1.14 -4.97 120.40 118.24 1nvw s VAL 721 Ca 0.10 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1nvw s VAL 721 Cb 0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1nvw s VAL 721 CO 0.74 -0.44 0.39 -0.13 0.00 0.00 0.00 175.10 175.66 1nvw s ARG 722 N 5.81 3.50 0.00 2.72 0.52 -1.26 -4.89 118.95 125.35 1nvw s ARG 722 Ca 0.79 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 1nvw s ARG 722 Cb -0.22 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1nvw s ARG 722 CO 0.33 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.45 1nvw n GLY 723 N -0.82 4.54 0.19 -3.53 0.00 -1.26 -4.78 105.19 99.52 1nvw n GLY 723 Ca -0.05 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 1nvw n GLY 723 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvw h LYS 724 N 0.00 0.67 0.61 1.61 1.79 -2.01 -3.03 116.57 116.21 1nvw h LYS 724 Ca 0.00 -0.77 -0.03 0.00 -2.18 0.00 0.00 60.65 57.67 1nvw h LYS 724 Cb 0.00 0.23 0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1nvw h LYS 724 CO 0.00 1.34 -0.29 0.00 -1.08 0.00 0.00 179.45 179.41 1nvw h ALA 725 N 0.36 -0.82 -0.23 3.86 0.00 -2.02 -3.15 119.26 117.26 1nvw h ALA 725 Ca -0.15 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1nvw h ALA 725 Cb 1.75 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1nvw h ALA 725 CO 0.21 -0.86 0.17 0.52 0.00 0.00 0.00 179.25 179.30 1nvw h MET 726 N -1.03 0.00 -0.99 0.00 2.86 -1.87 -3.16 114.93 110.75 1nvw h MET 726 Ca -0.08 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.76 1nvw h MET 726 Cb 0.68 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.15 1nvw h MET 726 CO 0.14 0.00 -0.22 1.17 1.06 0.00 0.00 176.91 179.06 1nvw n LYS 727 N -4.37 -0.09 -0.18 1.72 4.81 -1.15 -1.41 118.16 117.50 1nvw n LYS 727 Ca 0.02 1.53 -0.13 0.00 -0.87 0.00 0.00 58.31 58.86 1nvw n LYS 727 Cb 0.32 -2.30 -0.10 0.00 0.02 0.00 0.00 35.03 32.97 1nvw n LYS 727 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1nvw h LYS 728 N 0.00 -0.33 -0.20 1.64 1.79 -1.74 -1.68 116.57 116.05 1nvw h LYS 728 Ca 0.49 0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.83 1nvw h LYS 728 Cb 0.77 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1nvw h LYS 728 CO -1.01 -0.22 -0.49 -1.49 -1.08 0.00 0.00 179.45 175.16 1nvw h TRP 729 N -0.34 0.66 0.19 -1.35 4.06 -1.48 -2.77 115.95 114.92 1nvw h TRP 729 Ca 0.08 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.82 1nvw h TRP 729 Cb 0.57 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 1nvw h TRP 729 CO -0.77 0.92 -0.19 0.28 -3.56 0.00 0.00 178.44 175.12 1nvw h VAL 730 N 0.43 0.58 -0.34 1.49 2.07 -0.87 0.25 116.25 119.86 1nvw h VAL 730 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1nvw h VAL 730 Cb 1.01 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 1nvw h VAL 730 CO 0.09 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 177.27 1nvw h GLU 731 N -0.42 0.00 -0.27 1.57 5.08 -1.33 -0.92 114.58 118.29 1nvw h GLU 731 Ca 0.00 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1nvw h GLU 731 Cb 0.39 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1nvw h GLU 731 CO -0.05 0.00 -0.13 1.03 -1.00 0.00 0.00 179.01 178.87 1nvw h SER 732 N 0.00 -0.43 -0.20 1.42 0.87 -1.14 -1.53 113.55 112.54 1nvw h SER 732 Ca 0.16 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1nvw h SER 732 Cb 0.25 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1nvw h SER 732 CO -0.35 -0.16 -0.09 0.40 -0.53 0.00 0.00 176.83 176.10 1nvw h ILE 733 N -0.09 1.23 -0.56 2.23 2.04 -0.47 -2.19 117.51 119.71 1nvw h ILE 733 Ca 0.14 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 1nvw h ILE 733 Cb 0.30 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1nvw h ILE 733 CO -0.33 0.33 0.12 0.74 0.00 0.00 0.00 178.15 179.01 1nvw h THR 734 N 0.52 1.25 -0.38 -0.27 2.02 -0.59 -1.15 112.91 114.30 1nvw h THR 734 Ca 0.10 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1nvw h THR 734 Cb 0.47 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1nvw h THR 734 CO 0.03 0.33 0.09 0.11 0.37 0.00 0.00 175.52 176.45 1nvw h LYS 735 N 0.80 0.60 -0.65 6.66 1.57 -1.01 -1.68 116.57 122.86 1nvw h LYS 735 Ca 0.17 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1nvw h LYS 735 Cb 0.36 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1nvw h LYS 735 CO 0.00 0.64 0.38 0.82 -0.57 0.00 0.00 179.45 180.73 1nvw h ILE 736 N 0.46 1.19 -0.58 1.86 2.04 -1.26 0.13 117.51 121.34 1nvw h ILE 736 Ca 0.12 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 1nvw h ILE 736 Cb 0.31 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1nvw h ILE 736 CO 0.00 0.20 -0.03 0.40 0.00 0.00 0.00 178.15 178.72 1nvw h ILE 737 N 0.89 1.27 -0.08 -0.67 2.04 -0.82 -2.47 117.51 117.67 1nvw h ILE 737 Ca 0.23 -1.18 -0.20 0.00 1.00 0.00 0.00 64.86 64.71 1nvw h ILE 737 Cb -0.02 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1nvw h ILE 737 CO -0.04 0.43 -0.77 1.56 0.00 0.00 0.00 178.15 179.33 1nvw h GLN 738 N 0.94 0.47 0.00 2.37 1.08 -0.72 -2.96 115.11 116.30 1nvw h GLN 738 Ca 0.16 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1nvw h GLN 738 Cb 0.59 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1nvw h GLN 738 CO 0.04 1.04 -0.06 -0.09 -0.95 0.00 0.00 178.83 178.80 1nvw h ARG 739 N 0.31 0.00 0.00 1.46 2.43 -0.61 -1.98 114.38 115.99 1nvw h ARG 739 Ca -0.04 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1nvw h ARG 739 Cb 1.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1nvw h ARG 739 CO 0.14 0.06 -0.60 0.87 -1.51 0.00 0.00 179.97 178.93 1nvw h LYS 740 N 0.00 0.00 0.21 0.20 1.79 -1.32 -3.32 116.57 114.13 1nvw h LYS 740 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1nvw h LYS 740 Cb 0.13 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1nvw h LYS 740 CO 0.01 0.20 -1.58 0.87 -1.08 0.00 0.00 179.45 177.86 1nvw h LYS 741 N 0.00 0.44 0.83 3.15 1.57 -1.21 -3.39 116.57 117.95 1nvw h LYS 741 Ca -0.03 -0.75 -0.04 0.00 -1.87 0.00 0.00 60.65 57.96 1nvw h LYS 741 Cb 1.21 0.28 0.01 0.00 0.08 0.00 0.00 32.23 33.81 1nvw h LYS 741 CO 0.03 1.36 -0.40 -0.84 -0.57 0.00 0.00 179.45 179.03 1nvw h ILE 742 N 0.07 0.00 0.00 1.86 3.07 -1.58 -3.52 117.51 117.41 1nvw h ILE 742 Ca -0.30 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1nvw h ILE 742 Cb 2.08 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1nvw h ILE 742 CO 0.21 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.31 1nvw n ALA 743 N -2.61 0.00 0.00 0.16 0.00 -1.25 -5.15 120.51 111.66 1nvw n ALA 743 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1nvw n ALA 743 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1nvw n ALA 743 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1nvw n HIS 750 N 0.00 0.00 -3.53 0.00 -0.00 -1.26 -5.01 115.22 105.43 1nvw n HIS 750 Ca 0.00 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.86 1nvw n HIS 750 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 1nvw n HIS 750 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1nvw s ASN 751 N 0.00 6.57 -0.08 0.26 -0.87 -1.26 -5.10 114.94 114.47 1nvw s ASN 751 Ca 0.00 0.78 0.04 0.00 -1.57 0.00 0.00 52.86 52.11 1nvw s ASN 751 Cb 0.00 -2.17 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 1nvw s ASN 751 CO 0.00 -0.01 -0.21 -0.63 -2.57 0.00 0.00 177.10 173.68 1nvw s ILE 752 N -1.72 2.38 -0.11 0.60 -1.09 -1.26 -5.12 121.20 114.88 1nvw s ILE 752 Ca 0.44 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1nvw s ILE 752 Cb -0.12 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1nvw s ILE 752 CO 0.22 0.56 -0.05 0.42 -1.23 0.00 0.00 174.94 174.86 1nvw s THR 753 N -0.07 3.78 0.16 2.92 -4.23 -1.26 -5.12 115.64 111.83 1nvw s THR 753 Ca -0.05 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1nvw s THR 753 Cb -0.14 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1nvw s THR 753 CO 0.04 0.55 0.02 -0.36 -0.54 0.00 0.00 174.62 174.34 1nvw s PHE 754 N -0.25 2.92 0.02 3.99 0.08 -1.26 -5.04 117.98 118.44 1nvw s PHE 754 Ca 0.04 -0.10 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1nvw s PHE 754 Cb -0.13 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.85 1nvw s PHE 754 CO 0.02 0.51 1.16 1.96 -0.10 0.00 0.00 175.22 178.78 1nvw h GLN 755 N 2.75 -0.30 0.00 0.44 1.08 -2.02 -3.46 115.11 113.60 1nvw h GLN 755 Ca -0.47 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1nvw h GLN 755 Cb 1.20 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1nvw h GLN 755 CO 0.59 -0.20 0.00 -1.13 -0.95 0.00 0.00 178.83 177.14 1nvw n SER 756 N -3.20 0.96 -4.70 1.46 3.41 -1.26 -5.14 113.62 105.16 1nvw n SER 756 Ca -0.04 -0.55 -0.33 0.00 -0.26 0.00 0.00 58.87 57.70 1nvw n SER 756 Cb 0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1nvw n SER 756 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nvw s SER 757 N -0.56 5.23 0.34 4.04 0.15 -1.26 -5.09 113.70 116.55 1nvw s SER 757 Ca 0.00 0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.39 1nvw s SER 757 Cb 0.00 -1.40 -0.11 0.00 -1.71 0.00 0.00 66.02 62.81 1nvw s SER 757 CO 0.00 0.28 1.49 -2.16 1.20 0.00 0.00 173.24 174.05 1nvw s PRO 758 N -1.56 4.15 0.81 5.44 0.04 -1.26 -4.97 135.00 137.64 1nvw s PRO 758 Ca 0.20 2.52 -0.13 0.00 0.04 0.00 0.00 61.00 63.62 1nvw s PRO 758 Cb -0.12 -3.00 0.08 0.00 0.04 0.00 0.00 34.50 31.51 1nvw s PRO 758 CO 0.11 -0.51 1.21 -0.35 0.04 0.00 0.00 177.00 177.49 1nvw n PRO 759 N 1.03 0.19 -2.01 0.56 -0.04 -1.26 -4.90 135.00 128.57 1nvw n PRO 759 Ca 0.03 0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 1nvw n PRO 759 Cb 0.39 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 1nvw n PRO 759 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1nvw s THR 760 N -2.12 2.67 0.17 0.52 2.01 -1.26 -4.61 115.64 113.03 1nvw s THR 760 Ca 0.74 0.55 -0.32 0.00 0.31 0.00 0.00 61.69 62.97 1nvw s THR 760 Cb -0.29 -3.35 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 1nvw s THR 760 CO 0.51 0.08 1.61 -0.69 -0.69 0.00 0.00 174.62 175.44 1nvw s VAL 761 N 0.10 2.49 -0.13 3.82 1.01 -1.26 -4.98 120.40 121.45 1nvw s VAL 761 Ca 0.60 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 1nvw s VAL 761 Cb -0.42 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1nvw s VAL 761 CO 0.42 0.03 0.30 -1.61 0.00 0.00 0.00 175.10 174.24 1nvw s GLU 762 N 1.17 4.12 0.15 2.72 0.41 -1.26 -5.10 118.70 120.91 1nvw s GLU 762 Ca 0.71 0.13 0.10 0.00 -0.41 0.00 0.00 54.97 55.50 1nvw s GLU 762 Cb -0.45 -3.37 -0.04 0.00 -1.78 0.00 0.00 34.13 28.49 1nvw s GLU 762 CO 0.31 0.36 -0.19 -1.58 -0.49 0.00 0.00 175.26 173.68 1nvw s TRP 763 N 0.08 2.48 0.00 1.61 0.52 -1.26 -4.45 118.94 117.91 1nvw s TRP 763 Ca 0.18 -0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.01 1nvw s TRP 763 Cb -0.13 -1.28 0.00 0.00 -1.15 0.00 0.00 33.47 30.91 1nvw s TRP 763 CO 0.05 0.43 0.00 1.58 0.02 0.00 0.00 176.95 179.04 1nvw n HIS 764 N 0.54 0.00 -0.04 -1.98 -0.00 -1.26 -4.82 115.22 107.66 1nvw n HIS 764 Ca -0.14 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.89 1nvw n HIS 764 Cb 0.54 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.33 1nvw n HIS 764 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1nvw h ILE 765 N 0.00 1.38 -3.91 3.57 2.04 -1.63 -3.44 117.51 115.52 1nvw h ILE 765 Ca 0.00 -1.65 -0.50 0.00 1.00 0.00 0.00 64.86 63.71 1nvw h ILE 765 Cb 0.00 2.12 0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1nvw h ILE 765 CO 0.00 0.49 0.46 -0.44 0.00 0.00 0.00 178.15 178.66 1nvw s SER 766 N -6.45 6.86 0.26 1.72 0.01 -0.35 -5.05 113.70 110.71 1nvw s SER 766 Ca -0.14 2.20 0.10 0.00 1.31 0.00 0.00 55.95 59.43 1nvw s SER 766 Cb 0.05 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1nvw s SER 766 CO 0.79 -0.43 -0.07 -0.13 0.41 0.00 0.00 173.24 173.81 1nvw s ARG 767 N -2.09 2.08 0.23 12.44 1.81 -1.26 -4.91 118.95 127.24 1nvw s ARG 767 Ca 0.53 -1.52 -0.31 0.00 -1.72 0.00 0.00 55.73 52.71 1nvw s ARG 767 Cb -0.28 -2.04 -0.14 0.00 -0.45 0.00 0.00 34.95 32.04 1nvw s ARG 767 CO 0.35 0.36 1.20 -2.30 -0.68 0.00 0.00 175.30 174.23 1nvw n PRO 768 N -0.74 1.49 0.00 3.54 -0.02 -1.26 -1.67 135.00 136.34 1nvw n PRO 768 Ca -0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1nvw n PRO 768 Cb 0.59 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1nvw n PRO 768 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvw n GLY 769 N 1.81 2.57 2.56 -1.23 0.00 -1.26 -4.91 105.19 104.74 1nvw n GLY 769 Ca 0.12 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1nvw n GLY 769 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nvw n HIS 770 N 0.00 2.75 0.22 1.61 8.25 -0.67 -4.70 115.22 122.68 1nvw n HIS 770 Ca 0.00 -2.90 0.03 0.00 -0.26 0.00 0.00 57.72 54.58 1nvw n HIS 770 Cb 0.00 -2.12 0.12 0.00 1.12 0.00 0.00 29.99 29.12 1nvw n HIS 770 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1nvw n ILE 771 N 2.99 1.29 0.18 1.59 -5.35 -1.26 -1.90 119.36 116.89 1nvw n ILE 771 Ca 0.60 0.32 0.07 0.00 -0.27 0.00 0.00 62.75 63.47 1nvw n ILE 771 Cb 0.29 -1.23 0.20 0.00 -1.74 0.00 0.00 39.64 37.16 1nvw n ILE 771 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1nvw h GLU 772 N 0.00 0.00 0.00 6.28 3.07 -1.96 -3.25 114.58 118.71 1nvw h GLU 772 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 1nvw h GLU 772 Cb 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1nvw h GLU 772 CO 0.00 0.31 -1.15 1.79 -1.40 0.00 0.00 179.01 178.55 1nvw h THR 773 N 0.00 0.41 -1.11 1.13 1.35 -1.79 -3.48 112.91 109.42 1nvw h THR 773 Ca -0.00 -1.75 -0.76 0.00 -0.55 0.00 0.00 66.41 63.34 1nvw h THR 773 Cb 1.09 1.95 0.06 0.00 -1.73 0.00 0.00 68.15 69.52 1nvw h THR 773 CO 0.04 0.23 0.07 0.49 -0.25 0.00 0.00 175.52 176.10 1nvw n PHE 774 N -2.89 0.67 -3.71 4.73 3.01 -1.23 -4.81 117.46 113.24 1nvw n PHE 774 Ca -0.05 0.99 -0.02 0.00 1.01 0.00 0.00 57.45 59.37 1nvw n PHE 774 Cb 0.75 -2.11 -0.01 0.00 -0.01 0.00 0.00 39.48 38.09 1nvw n PHE 774 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nvw s ASP 775 N -0.02 -0.16 0.37 4.37 -1.08 -1.26 -5.00 116.67 113.90 1nvw s ASP 775 Ca 0.88 -0.32 0.12 0.00 -0.52 0.00 0.00 52.55 52.70 1nvw s ASP 775 Cb -1.19 0.41 0.91 0.00 -1.46 0.00 0.00 42.92 41.58 1nvw s ASP 775 CO 0.56 -0.75 1.86 0.25 0.52 0.00 0.00 175.17 177.61 1nvw h LEU 776 N 2.00 0.57 0.00 -1.34 5.85 -1.93 -2.47 115.31 117.99 1nvw h LEU 776 Ca -0.25 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1nvw h LEU 776 Cb 1.22 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1nvw h LEU 776 CO 0.26 0.27 -1.87 0.18 -0.34 0.00 0.00 178.44 176.94 1nvw n LEU 777 N -4.56 0.16 0.14 2.25 4.77 -1.26 -4.39 117.00 114.11 1nvw n LEU 777 Ca 0.18 0.06 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 1nvw n LEU 777 Cb 0.55 0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.72 1nvw n LEU 777 CO 0.29 0.02 0.32 0.71 -1.33 0.00 0.00 177.39 177.41 1nvw h THR 778 N 0.00 0.27 -3.45 -5.08 1.35 -1.82 -3.45 112.91 100.73 1nvw h THR 778 Ca -0.05 -1.43 -0.50 0.00 -0.55 0.00 0.00 66.41 63.88 1nvw h THR 778 Cb 1.13 1.95 0.01 0.00 -1.73 0.00 0.00 68.15 69.51 1nvw h THR 778 CO 0.00 0.15 0.02 -0.76 -0.25 0.00 0.00 175.52 174.69 1nvw s LEU 779 N -5.95 3.86 0.03 3.87 1.43 -0.95 -1.21 118.68 119.76 1nvw s LEU 779 Ca 0.03 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 1nvw s LEU 779 Cb 0.07 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1nvw s LEU 779 CO 0.75 -0.38 1.25 -2.28 0.23 0.00 0.00 176.35 175.92 1nvw s HIS 780 N -2.38 3.26 0.46 0.29 5.65 -1.26 -4.81 115.29 116.50 1nvw s HIS 780 Ca 0.47 1.16 0.15 0.00 0.25 0.00 0.00 55.06 57.10 1nvw s HIS 780 Cb -0.10 -3.49 1.10 0.00 -1.18 0.00 0.00 32.58 28.91 1nvw s HIS 780 CO 0.35 -1.60 2.00 -1.00 -0.65 0.00 0.00 174.74 173.84 1nvw h PRO 781 N 7.13 0.31 -0.24 2.88 0.13 -1.88 -0.68 132.00 139.64 1nvw h PRO 781 Ca -0.39 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1nvw h PRO 781 Cb 1.20 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1nvw h PRO 781 CO 0.85 0.20 0.14 0.82 -0.23 0.00 0.00 178.00 179.78 1nvw h ILE 782 N 0.32 1.11 -0.35 -3.56 2.04 -1.91 -1.99 117.51 113.16 1nvw h ILE 782 Ca 0.24 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 1nvw h ILE 782 Cb 0.53 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1nvw h ILE 782 CO -0.06 0.10 -0.18 -0.08 0.00 0.00 0.00 178.15 177.94 1nvw h GLU 783 N 0.28 0.64 -0.60 2.37 4.57 -1.49 -1.60 114.58 118.77 1nvw h GLU 783 Ca 0.08 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1nvw h GLU 783 Cb 0.05 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1nvw h GLU 783 CO -0.01 0.79 0.39 0.82 -1.18 0.00 0.00 179.01 179.82 1nvw h ILE 784 N 0.58 1.16 -0.52 2.32 2.04 -0.86 0.65 117.51 122.87 1nvw h ILE 784 Ca 0.09 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1nvw h ILE 784 Cb 0.63 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1nvw h ILE 784 CO 0.04 0.15 0.04 0.00 0.00 0.00 0.00 178.15 178.39 1nvw h ALA 785 N 1.22 0.70 -0.09 1.87 0.00 -1.12 -1.83 119.26 120.01 1nvw h ALA 785 Ca 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nvw h ALA 785 Cb -0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1nvw h ALA 785 CO -0.05 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.71 1nvw h ARG 786 N 0.77 0.14 -0.52 0.00 3.08 -0.81 -0.49 114.38 116.55 1nvw h ARG 786 Ca 0.15 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1nvw h ARG 786 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1nvw h ARG 786 CO 0.02 0.31 -0.16 1.96 -1.07 0.00 0.00 179.97 181.03 1nvw h GLN 787 N -0.07 1.02 -0.26 0.04 1.08 -0.89 -1.29 115.11 114.74 1nvw h GLN 787 Ca 0.03 -0.41 -0.09 0.00 -1.45 0.00 0.00 58.65 56.73 1nvw h GLN 787 Cb 0.24 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1nvw h GLN 787 CO -0.00 1.09 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.68 1nvw h LEU 788 N 0.89 0.47 -1.02 1.46 3.38 -1.34 -0.41 115.31 118.74 1nvw h LEU 788 Ca 0.13 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1nvw h LEU 788 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1nvw h LEU 788 CO 0.06 0.70 -0.21 0.74 0.09 0.00 0.00 178.44 179.82 1nvw h THR 789 N 0.43 1.25 -0.14 0.22 2.02 -0.69 0.20 112.91 116.20 1nvw h THR 789 Ca 0.07 -1.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.00 1nvw h THR 789 Cb 0.62 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1nvw h THR 789 CO 0.04 0.37 -0.26 -0.07 0.37 0.00 0.00 175.52 175.97 1nvw h LEU 790 N 0.41 0.48 0.56 2.58 3.38 -0.65 -0.53 115.31 121.54 1nvw h LEU 790 Ca 0.07 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1nvw h LEU 790 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1nvw h LEU 790 CO 0.04 0.94 -0.37 -0.07 0.09 0.00 0.00 178.44 179.07 1nvw h LEU 791 N 0.04 -0.95 -1.98 1.67 3.38 -0.83 -1.42 115.31 115.22 1nvw h LEU 791 Ca 0.01 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1nvw h LEU 791 Cb 0.85 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1nvw h LEU 791 CO 0.06 -0.57 0.13 -0.33 0.09 0.00 0.00 178.44 177.83 1nvw h GLU 792 N -0.89 0.02 -0.06 1.13 5.08 -0.63 -1.25 114.58 117.98 1nvw h GLU 792 Ca -0.06 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1nvw h GLU 792 Cb 0.73 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 1nvw h GLU 792 CO 0.05 0.01 -0.46 1.03 -1.00 0.00 0.00 179.01 178.64 1nvw h SER 793 N 0.02 0.51 -0.54 1.42 0.87 -0.73 -1.36 113.55 113.75 1nvw h SER 793 Ca 0.09 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1nvw h SER 793 Cb 0.32 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1nvw h SER 793 CO -0.00 1.12 0.34 0.44 -0.53 0.00 0.00 176.83 178.20 1nvw h ASP 794 N -0.05 0.63 -0.89 6.23 3.32 -0.77 0.10 116.42 125.00 1nvw h ASP 794 Ca -0.04 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1nvw h ASP 794 Cb 1.13 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 1nvw h ASP 794 CO 0.09 0.47 0.57 -0.07 -1.72 0.00 0.00 179.24 178.59 1nvw h LEU 795 N 0.72 0.94 -0.06 1.55 3.38 -1.22 -1.81 115.31 118.81 1nvw h LEU 795 Ca 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1nvw h LEU 795 Cb -0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1nvw h LEU 795 CO -0.04 0.63 0.01 0.22 0.09 0.00 0.00 178.44 179.35 1nvw h TYR 796 N 1.09 0.11 0.00 1.13 3.20 -0.46 -2.93 116.97 119.11 1nvw h TYR 796 Ca 0.36 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1nvw h TYR 796 Cb 0.05 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1nvw h TYR 796 CO -0.02 0.33 0.00 0.54 -1.64 0.00 0.00 178.16 177.37 1nvw n ARG 797 N -4.90 0.03 0.05 1.82 1.74 0.29 -2.61 116.66 113.09 1nvw n ARG 797 Ca -0.07 0.28 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1nvw n ARG 797 Cb 0.16 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.22 1nvw n ARG 797 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nvw h ALA 798 N 2.43 0.50 -2.25 7.54 0.00 -1.14 -3.46 119.26 122.88 1nvw h ALA 798 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1nvw h ALA 798 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1nvw h ALA 798 CO 0.00 0.00 0.82 0.08 0.00 0.00 0.00 179.25 180.15 1nvw s VAL 799 N -3.19 4.17 0.23 0.00 1.01 -1.07 -4.89 120.40 116.67 1nvw s VAL 799 Ca 0.05 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 1nvw s VAL 799 Cb 0.13 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1nvw s VAL 799 CO 0.75 -0.06 0.44 -1.10 0.00 0.00 0.00 175.10 175.12 1nvw s GLN 800 N 2.87 3.54 0.47 2.72 -1.52 -1.26 -5.00 119.66 121.48 1nvw s GLN 800 Ca 0.57 -0.27 0.14 0.00 -1.95 0.00 0.00 55.36 53.85 1nvw s GLN 800 Cb -0.25 -2.78 1.11 0.00 -0.22 0.00 0.00 33.01 30.87 1nvw s GLN 800 CO 0.20 0.34 2.05 -1.35 -0.25 0.00 0.00 175.29 176.27 1nvw h PRO 801 N 1.80 0.27 0.00 2.91 0.11 -1.95 -1.81 132.00 133.33 1nvw h PRO 801 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nvw h PRO 801 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nvw h PRO 801 CO 0.67 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 179.29 1nvw h SER 802 N 0.27 0.00 0.44 -2.05 4.64 -1.94 0.12 113.55 115.04 1nvw h SER 802 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1nvw h SER 802 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1nvw h SER 802 CO -0.03 0.00 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.13 1nvw n GLU 803 N -2.85 0.52 -0.05 4.77 1.02 -0.68 -4.27 120.64 119.11 1nvw n GLU 803 Ca -0.03 -0.21 -0.07 0.00 -0.02 0.00 0.00 57.16 56.83 1nvw n GLU 803 Cb 0.06 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 1nvw n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvw n LEU 804 N -1.05 2.68 -4.70 -4.62 4.77 -0.02 -4.00 117.00 110.07 1nvw n LEU 804 Ca 0.12 -0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 1nvw n LEU 804 Cb 0.30 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1nvw n LEU 804 CO 0.26 0.60 0.86 0.52 -1.33 0.00 0.00 177.39 178.30 1nvw n VAL 805 N -2.87 2.85 -1.19 4.08 0.31 -0.91 -2.07 118.33 118.54 1nvw n VAL 805 Ca -0.17 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.60 1nvw n VAL 805 Cb 0.67 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 1nvw n VAL 805 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nvw n GLY 806 N 0.86 0.80 3.19 2.92 0.00 -1.26 -3.19 105.19 108.51 1nvw n GLY 806 Ca 0.08 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1nvw n GLY 806 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nvw n SER 807 N -0.20 -3.59 0.31 1.61 7.64 -0.88 -4.83 113.62 113.68 1nvw n SER 807 Ca -0.06 -0.27 0.19 0.00 1.01 0.00 0.00 58.87 59.74 1nvw n SER 807 Cb 0.34 -3.00 1.00 0.00 -1.01 0.00 0.00 64.21 61.54 1nvw n SER 807 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1nvw h VAL 808 N -0.77 0.14 0.00 0.44 -1.51 -1.70 -2.07 116.25 110.79 1nvw h VAL 808 Ca -0.39 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1nvw h VAL 808 Cb 1.26 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1nvw h VAL 808 CO 0.48 0.02 0.00 -2.67 -1.23 0.00 0.00 177.57 174.17 1nvw n TRP 809 N -3.25 0.00 0.51 5.19 2.14 -1.26 -2.48 117.44 118.30 1nvw n TRP 809 Ca -0.02 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.60 1nvw n TRP 809 Cb 0.15 -0.22 -0.04 0.00 -0.81 0.00 0.00 31.31 30.38 1nvw n TRP 809 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1nvw n THR 810 N -1.22 0.00 -1.97 -1.67 -2.24 -0.78 -4.80 114.28 101.60 1nvw n THR 810 Ca 0.11 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1nvw n THR 810 Cb 0.14 1.04 0.11 0.00 -2.10 0.00 0.00 70.33 69.52 1nvw n THR 810 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nvw s LYS 811 N -1.87 1.73 0.30 -0.78 -0.14 -1.04 -4.97 119.74 112.98 1nvw s LYS 811 Ca 0.06 -0.07 0.25 0.00 -1.36 0.00 0.00 55.97 54.85 1nvw s LYS 811 Cb 0.09 -1.97 1.00 0.00 -1.68 0.00 0.00 37.83 35.26 1nvw s LYS 811 CO 0.40 -1.70 1.76 1.05 -0.76 0.00 0.00 175.35 176.10 1nvw h GLU 812 N -1.09 0.00 -0.84 1.68 4.11 -1.95 -2.65 114.58 113.83 1nvw h GLU 812 Ca -0.45 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.71 1nvw h GLU 812 Cb 1.31 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.40 1nvw h GLU 812 CO 0.59 0.00 0.34 -0.25 0.07 0.00 0.00 179.01 179.76 1nvw n ASP 813 N -2.39 4.37 -0.08 3.06 9.92 -1.26 -4.57 116.55 125.60 1nvw n ASP 813 Ca 0.02 -3.19 0.03 0.00 -0.53 0.00 0.00 54.79 51.12 1nvw n ASP 813 Cb 0.28 -0.75 0.36 0.00 -0.64 0.00 0.00 41.12 40.37 1nvw n ASP 813 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1nvw h LYS 814 N 2.05 0.70 0.00 -1.24 2.10 -1.60 -1.30 116.57 117.29 1nvw h LYS 814 Ca 0.33 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.91 1nvw h LYS 814 Cb 2.34 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 33.50 1nvw h LYS 814 CO 0.77 0.46 -0.15 0.93 -2.00 0.00 0.00 179.45 179.46 1nvw h GLU 815 N 0.72 0.00 0.14 0.07 4.39 -1.87 0.42 114.58 118.46 1nvw h GLU 815 Ca 0.20 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.53 1nvw h GLU 815 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1nvw h GLU 815 CO -0.04 0.15 -1.93 0.82 -1.16 0.00 0.00 179.01 176.85 1nvw h ILE 816 N 0.00 0.71 0.00 3.13 2.04 -1.67 -3.34 117.51 118.38 1nvw h ILE 816 Ca -0.00 -2.39 -0.09 0.00 1.00 0.00 0.00 64.86 63.38 1nvw h ILE 816 Cb 0.34 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 1nvw h ILE 816 CO 0.02 0.89 -1.37 0.59 0.00 0.00 0.00 178.15 178.29 1nvw n ASN 817 N -3.52 0.72 -2.41 1.72 3.02 -0.59 -4.49 115.26 109.71 1nvw n ASN 817 Ca -0.30 0.30 -0.17 0.00 -0.03 0.00 0.00 54.58 54.37 1nvw n ASN 817 Cb 1.06 0.53 0.02 0.00 -0.61 0.00 0.00 39.78 40.77 1nvw n ASN 817 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1nvw n SER 818 N -2.73 3.63 -0.17 6.41 7.64 0.15 -4.18 113.62 124.37 1nvw n SER 818 Ca -0.06 -3.21 -0.05 0.00 1.01 0.00 0.00 58.87 56.55 1nvw n SER 818 Cb 0.71 -0.43 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 1nvw n SER 818 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1nvw h PRO 819 N 2.49 0.59 -0.56 1.43 0.13 -1.69 -1.19 132.00 133.20 1nvw h PRO 819 Ca 0.17 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 1nvw h PRO 819 Cb 1.27 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1nvw h PRO 819 CO 0.62 0.39 0.18 -0.91 -0.23 0.00 0.00 178.00 178.05 1nvw h ASN 820 N 0.61 0.81 0.39 1.44 2.35 -1.90 -1.25 115.58 118.02 1nvw h ASN 820 Ca 0.21 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1nvw h ASN 820 Cb 0.03 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1nvw h ASN 820 CO -0.10 0.80 -0.19 0.25 -1.65 0.00 0.00 177.43 176.54 1nvw h LEU 821 N 0.78 -0.44 -2.07 1.61 5.85 -1.85 -2.17 115.31 117.02 1nvw h LEU 821 Ca 0.18 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1nvw h LEU 821 Cb 0.27 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1nvw h LEU 821 CO -0.01 -0.25 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.75 1nvw h LEU 822 N -0.60 0.00 -0.24 2.25 3.38 -1.18 -0.45 115.31 118.48 1nvw h LEU 822 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1nvw h LEU 822 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nvw h LEU 822 CO 0.09 0.02 -0.24 0.50 0.09 0.00 0.00 178.44 178.89 1nvw h LYS 823 N 0.00 0.58 -0.43 1.13 3.64 -1.00 -1.44 116.57 119.05 1nvw h LYS 823 Ca -0.00 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 58.99 1nvw h LYS 823 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1nvw h LYS 823 CO 0.00 0.91 -0.04 1.98 -2.27 0.00 0.00 179.45 180.03 1nvw h MET 824 N 0.29 0.79 -0.49 1.90 4.05 -0.68 -2.01 114.93 118.77 1nvw h MET 824 Ca 0.04 -0.27 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 1nvw h MET 824 Cb 0.80 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1nvw h MET 824 CO 0.06 0.88 0.01 0.82 0.23 0.00 0.00 176.91 178.91 1nvw h ILE 825 N 0.63 1.24 -0.50 1.77 2.04 -1.10 -2.65 117.51 118.93 1nvw h ILE 825 Ca 0.12 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 1nvw h ILE 825 Cb 0.55 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1nvw h ILE 825 CO 0.03 0.35 -0.01 0.03 0.00 0.00 0.00 178.15 178.55 1nvw h ARG 826 N 0.76 0.85 -0.29 2.37 3.08 -1.05 -2.06 114.38 118.04 1nvw h ARG 826 Ca 0.15 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1nvw h ARG 826 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1nvw h ARG 826 CO 0.02 0.86 0.17 1.25 -1.07 0.00 0.00 179.97 181.19 1nvw h HIS 827 N 0.79 0.39 -0.68 3.04 2.76 -1.13 0.19 115.15 120.50 1nvw h HIS 827 Ca 0.15 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1nvw h HIS 827 Cb 0.48 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.25 1nvw h HIS 827 CO 0.03 0.30 0.34 1.15 -1.30 0.00 0.00 177.93 178.45 1nvw h THR 828 N 0.36 0.88 -0.11 6.26 2.02 -1.20 -1.04 112.91 120.08 1nvw h THR 828 Ca 0.10 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1nvw h THR 828 Cb 0.03 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1nvw h THR 828 CO -0.02 0.11 0.02 0.74 0.37 0.00 0.00 175.52 176.74 1nvw h THR 829 N 0.61 1.21 -0.30 3.16 2.02 -0.86 -1.77 112.91 116.98 1nvw h THR 829 Ca 0.33 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1nvw h THR 829 Cb 0.30 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1nvw h THR 829 CO -0.24 0.19 0.13 0.78 0.37 0.00 0.00 175.52 176.75 1nvw h ASN 830 N -0.03 0.37 -0.03 4.18 2.35 -0.65 -0.38 115.58 121.37 1nvw h ASN 830 Ca 0.04 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 1nvw h ASN 830 Cb 0.27 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.56 1nvw h ASN 830 CO 0.00 0.33 -0.82 0.25 -1.65 0.00 0.00 177.43 175.54 1nvw h LEU 831 N 0.41 0.84 -0.48 1.61 5.85 -1.07 -0.02 115.31 122.46 1nvw h LEU 831 Ca 0.11 -0.58 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1nvw h LEU 831 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1nvw h LEU 831 CO -0.01 1.37 0.05 0.74 -0.34 0.00 0.00 178.44 180.25 1nvw h THR 832 N 0.46 1.25 -0.66 1.05 2.02 -0.86 -1.51 112.91 114.67 1nvw h THR 832 Ca -0.06 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 1nvw h THR 832 Cb 1.44 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1nvw h THR 832 CO 0.16 0.34 0.12 -0.07 0.37 0.00 0.00 175.52 176.44 1nvw h LEU 833 N 0.67 1.03 -0.60 2.58 3.38 -1.05 -1.80 115.31 119.52 1nvw h LEU 833 Ca 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1nvw h LEU 833 Cb 0.43 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1nvw h LEU 833 CO 0.01 1.02 0.32 -0.25 0.09 0.00 0.00 178.44 179.63 1nvw h TRP 834 N 0.99 0.83 -0.66 1.13 7.01 -0.78 0.70 115.95 125.17 1nvw h TRP 834 Ca 0.20 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1nvw h TRP 834 Cb 0.42 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 1nvw h TRP 834 CO 0.03 0.61 0.41 0.74 -2.79 0.00 0.00 178.44 177.44 1nvw h PHE 835 N 0.81 0.77 -0.65 2.65 0.04 -1.02 -0.08 116.94 119.46 1nvw h PHE 835 Ca 0.21 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 1nvw h PHE 835 Cb 0.06 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 1nvw h PHE 835 CO -0.01 0.43 0.25 0.93 -0.60 0.00 0.00 178.31 179.31 1nvw h GLU 836 N 0.80 0.98 -0.34 1.51 5.08 -0.83 -2.42 114.58 119.36 1nvw h GLU 836 Ca 0.27 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1nvw h GLU 836 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1nvw h GLU 836 CO -0.11 0.83 0.09 -0.22 -1.00 0.00 0.00 179.01 178.61 1nvw h LYS 837 N 0.92 0.53 -0.66 2.33 3.64 -0.31 -1.64 116.57 121.38 1nvw h LYS 837 Ca 0.21 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1nvw h LYS 837 Cb 0.23 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1nvw h LYS 837 CO -0.02 0.57 0.43 0.00 -2.27 0.00 0.00 179.45 178.17 1nvw h ILE 839 N 0.73 0.00 0.00 0.00 2.04 -1.09 -3.29 117.51 115.90 1nvw h ILE 839 Ca 0.27 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nvw h ILE 839 Cb 0.17 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1nvw h ILE 839 CO -0.08 0.00 -0.04 -0.37 0.00 0.00 0.00 178.15 177.66 1nvw h VAL 840 N -0.82 0.22 -0.04 1.67 -1.51 -1.31 -1.90 116.25 112.55 1nvw h VAL 840 Ca -0.03 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1nvw h VAL 840 Cb 0.25 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1nvw h VAL 840 CO 0.05 0.04 0.00 -0.62 -1.23 0.00 0.00 177.57 175.81 1nvw n GLU 841 N -3.33 1.53 -3.37 5.19 1.02 -0.40 -4.41 120.64 116.87 1nvw n GLU 841 Ca -0.02 -0.78 -0.45 0.00 -0.02 0.00 0.00 57.16 55.90 1nvw n GLU 841 Cb 0.17 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 1nvw n GLU 841 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1nvw s THR 842 N -1.96 5.67 0.25 2.62 2.01 -0.72 -4.91 115.64 118.60 1nvw s THR 842 Ca 0.38 -3.09 -0.04 0.00 0.31 0.00 0.00 61.69 59.24 1nvw s THR 842 Cb 0.20 -4.45 0.25 0.00 0.01 0.00 0.00 72.50 68.51 1nvw s THR 842 CO 0.32 -1.11 1.88 -0.33 -0.69 0.00 0.00 174.62 174.69 1nvw h GLU 843 N 7.04 1.11 -6.39 4.92 5.08 -1.82 -3.38 114.58 121.14 1nvw h GLU 843 Ca 0.14 -0.07 -0.54 0.00 -1.00 0.00 0.00 59.36 57.90 1nvw h GLU 843 Cb 0.93 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1nvw h GLU 843 CO 0.89 0.74 0.99 1.21 -1.00 0.00 0.00 179.01 181.84 1nvw s ASN 844 N -5.90 6.66 0.14 1.42 3.84 -1.26 -4.70 114.94 115.14 1nvw s ASN 844 Ca -0.13 2.36 -0.20 0.00 0.21 0.00 0.00 52.86 55.10 1nvw s ASN 844 Cb 0.19 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 38.35 1nvw s ASN 844 CO 0.81 -0.87 1.67 0.25 -2.79 0.00 0.00 177.10 176.17 1nvw h LEU 845 N 8.94 -0.45 -0.80 3.21 5.85 -1.87 -0.13 115.31 130.06 1nvw h LEU 845 Ca -0.41 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1nvw h LEU 845 Cb 1.19 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 1nvw h LEU 845 CO 0.93 -0.17 0.48 -0.08 -0.34 0.00 0.00 178.44 179.26 1nvw h GLU 846 N -0.12 0.87 -0.23 1.25 4.81 -1.95 -0.86 114.58 118.35 1nvw h GLU 846 Ca 0.13 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 1nvw h GLU 846 Cb 0.31 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1nvw h GLU 846 CO -0.31 0.57 -0.51 0.93 -0.73 0.00 0.00 179.01 178.96 1nvw h GLU 847 N 0.89 0.64 -0.35 1.92 5.08 -1.81 -2.63 114.58 118.32 1nvw h GLU 847 Ca 0.35 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1nvw h GLU 847 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1nvw h GLU 847 CO -0.17 1.00 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.74 1nvw h ARG 848 N 0.50 0.55 -0.66 2.33 2.43 -0.53 -0.30 114.38 118.71 1nvw h ARG 848 Ca 0.02 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1nvw h ARG 848 Cb 1.06 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1nvw h ARG 848 CO 0.10 0.59 0.10 0.28 -1.51 0.00 0.00 179.97 179.53 1nvw h VAL 849 N 0.53 1.26 -0.47 0.20 2.07 -1.00 0.80 116.25 119.65 1nvw h VAL 849 Ca 0.11 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1nvw h VAL 849 Cb 0.36 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1nvw h VAL 849 CO 0.01 0.39 0.20 0.00 0.02 0.00 0.00 177.57 178.20 1nvw h ALA 850 N 1.04 0.61 -0.01 1.67 0.00 -0.98 -0.63 119.26 120.96 1nvw h ALA 850 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nvw h ALA 850 Cb 0.46 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nvw h ALA 850 CO 0.02 0.20 -0.01 0.28 0.00 0.00 0.00 179.25 179.74 1nvw h VAL 851 N 0.61 0.98 -0.87 0.00 2.07 -0.66 -1.06 116.25 117.33 1nvw h VAL 851 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1nvw h VAL 851 Cb 0.17 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1nvw h VAL 851 CO -0.02 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.68 1nvw h VAL 852 N -0.01 1.24 -0.65 2.57 2.07 -0.69 -2.21 116.25 118.56 1nvw h VAL 852 Ca 0.01 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1nvw h VAL 852 Cb 0.02 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1nvw h VAL 852 CO -0.02 0.25 0.41 0.28 0.02 0.00 0.00 177.57 178.51 1nvw h SER 853 N 1.19 0.78 -0.89 0.57 0.02 -0.73 -1.38 113.55 113.10 1nvw h SER 853 Ca 0.31 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1nvw h SER 853 Cb -0.06 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 1nvw h SER 853 CO -0.06 0.60 0.52 -0.09 -1.14 0.00 0.00 176.83 176.66 1nvw h ARG 854 N 0.89 1.22 -0.47 3.45 9.65 -0.86 -0.22 114.38 128.04 1nvw h ARG 854 Ca 0.24 -0.12 -0.10 0.00 -1.10 0.00 0.00 59.98 58.90 1nvw h ARG 854 Cb -0.05 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.26 1nvw h ARG 854 CO -0.05 0.86 -0.09 0.82 2.80 0.00 0.00 179.97 184.31 1nvw h ILE 855 N 1.23 1.26 -0.02 1.20 2.04 -0.88 -0.72 117.51 121.62 1nvw h ILE 855 Ca 0.32 -1.17 -0.09 0.00 1.00 0.00 0.00 64.86 64.91 1nvw h ILE 855 Cb -0.03 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1nvw h ILE 855 CO -0.06 0.41 -0.41 0.40 0.00 0.00 0.00 178.15 178.49 1nvw h ILE 856 N 0.76 1.30 -0.31 -0.67 2.04 -0.70 -1.34 117.51 118.59 1nvw h ILE 856 Ca 0.13 -1.44 -0.15 0.00 1.00 0.00 0.00 64.86 64.40 1nvw h ILE 856 Cb 0.59 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1nvw h ILE 856 CO 0.04 0.42 -0.40 -0.33 0.00 0.00 0.00 178.15 177.88 1nvw h GLU 857 N 0.04 0.75 -0.86 2.37 5.08 -0.08 -1.80 114.58 120.08 1nvw h GLU 857 Ca 0.00 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1nvw h GLU 857 Cb 0.75 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1nvw h GLU 857 CO 0.06 1.01 0.43 0.82 -1.00 0.00 0.00 179.01 180.33 1nvw h ILE 858 N 0.62 1.26 -0.62 3.13 2.04 -0.70 -1.89 117.51 121.34 1nvw h ILE 858 Ca 0.05 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.29 1nvw h ILE 858 Cb 0.94 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1nvw h ILE 858 CO 0.09 0.30 0.31 0.25 0.00 0.00 0.00 178.15 179.10 1nvw h LEU 859 N 1.22 0.42 -0.47 1.44 5.85 -0.79 -0.87 115.31 122.10 1nvw h LEU 859 Ca 0.30 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1nvw h LEU 859 Cb 0.08 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1nvw h LEU 859 CO -0.04 0.27 0.23 -0.61 -0.34 0.00 0.00 178.44 177.95 1nvw h GLN 860 N 0.57 0.45 -0.20 1.25 4.15 -0.55 -1.02 115.11 119.75 1nvw h GLN 860 Ca 0.29 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.57 1nvw h GLN 860 Cb 0.24 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1nvw h GLN 860 CO -0.22 0.30 -0.37 0.28 -1.93 0.00 0.00 178.83 176.89 1nvw h VAL 861 N 0.46 1.30 -0.54 2.39 2.07 -0.98 -2.16 116.25 118.79 1nvw h VAL 861 Ca 0.21 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1nvw h VAL 861 Cb 0.12 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1nvw h VAL 861 CO -0.15 0.46 0.33 -0.26 0.02 0.00 0.00 177.57 177.97 1nvw h PHE 862 N 0.37 0.71 -0.75 1.57 0.04 -0.41 0.14 116.94 118.61 1nvw h PHE 862 Ca 0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1nvw h PHE 862 Cb 0.82 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 1nvw h PHE 862 CO 0.03 0.48 0.35 1.96 -0.60 0.00 0.00 178.31 180.53 1nvw h GLN 863 N 0.73 1.08 -0.50 1.51 4.20 -1.00 0.11 115.11 121.24 1nvw h GLN 863 Ca 0.20 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1nvw h GLN 863 Cb -0.03 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 1nvw h GLN 863 CO -0.04 0.85 0.32 0.93 -0.67 0.00 0.00 178.83 180.23 1nvw h GLU 864 N 1.05 0.64 0.00 1.46 5.08 -0.72 -1.63 114.58 120.46 1nvw h GLU 864 Ca 0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nvw h GLU 864 Cb 0.14 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nvw h GLU 864 CO -0.03 0.42 0.00 1.28 -1.00 0.00 0.00 179.01 179.68 1nvw n LEU 865 N -4.75 0.00 -2.48 1.33 4.77 0.41 -4.88 117.00 111.39 1nvw n LEU 865 Ca 0.03 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 1nvw n LEU 865 Cb 0.03 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1nvw n LEU 865 CO 0.34 0.00 -0.14 0.59 -1.33 0.00 0.00 177.39 176.85 1nvw n ASN 866 N -0.97 -5.70 -4.41 -1.43 3.02 -0.16 -4.60 115.26 101.01 1nvw n ASN 866 Ca 0.22 -0.13 -0.45 0.00 -0.03 0.00 0.00 54.58 54.19 1nvw n ASN 866 Cb 0.10 -4.64 -0.01 0.00 -0.61 0.00 0.00 39.78 34.62 1nvw n ASN 866 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nvw s ASN 867 N -2.39 7.05 0.41 6.41 3.84 0.19 -1.76 114.94 128.69 1nvw s ASN 867 Ca 0.12 -2.99 0.12 0.00 0.21 0.00 0.00 52.86 50.33 1nvw s ASN 867 Cb -0.06 -2.33 0.86 0.00 -0.55 0.00 0.00 41.25 39.18 1nvw s ASN 867 CO 0.15 -0.64 1.92 -0.26 -2.79 0.00 0.00 177.10 175.48 1nvw h PHE 868 N 7.34 0.07 -0.61 0.43 0.04 -1.59 -1.40 116.94 121.22 1nvw h PHE 868 Ca 0.23 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1nvw h PHE 868 Cb 0.91 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 1nvw h PHE 868 CO 1.01 0.29 0.28 -0.97 -0.60 0.00 0.00 178.31 178.32 1nvw h ASN 869 N 0.07 0.81 -0.46 2.17 -1.24 -1.52 -0.91 115.58 114.50 1nvw h ASN 869 Ca 0.01 -0.14 -0.04 0.00 0.71 0.00 0.00 56.30 56.84 1nvw h ASN 869 Cb 0.44 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 1nvw h ASN 869 CO 0.03 0.73 0.14 1.23 -1.29 0.00 0.00 177.43 178.27 1nvw h GLY 870 N 0.84 0.77 0.88 1.57 0.00 -1.63 -1.99 103.07 103.51 1nvw h GLY 870 Ca 0.21 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1nvw h GLY 870 CO -0.02 0.43 0.36 -2.08 0.00 0.00 0.00 176.54 175.23 1nvw h VAL 871 N 0.61 1.07 -0.13 4.60 2.07 -0.93 -2.45 116.25 121.09 1nvw h VAL 871 Ca 0.15 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1nvw h VAL 871 Cb 0.28 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1nvw h VAL 871 CO -0.00 0.13 -0.32 -0.07 0.02 0.00 0.00 177.57 177.33 1nvw h LEU 872 N 0.71 0.26 -1.08 2.57 3.38 -0.97 -1.13 115.31 119.05 1nvw h LEU 872 Ca 0.24 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1nvw h LEU 872 Cb 0.02 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1nvw h LEU 872 CO -0.10 0.57 0.49 -0.33 0.09 0.00 0.00 178.44 179.17 1nvw h GLU 873 N 0.23 1.12 -0.18 1.13 5.08 -0.90 0.39 114.58 121.45 1nvw h GLU 873 Ca 0.03 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1nvw h GLU 873 Cb 0.68 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nvw h GLU 873 CO 0.05 0.79 -0.52 0.28 -1.00 0.00 0.00 179.01 178.61 1nvw h VAL 874 N 1.14 1.32 -0.79 3.13 2.07 -1.19 -2.20 116.25 119.73 1nvw h VAL 874 Ca 0.30 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1nvw h VAL 874 Cb -0.04 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1nvw h VAL 874 CO -0.06 0.55 0.38 0.58 0.02 0.00 0.00 177.57 179.05 1nvw h VAL 875 N 0.35 1.25 -0.60 2.57 2.07 -0.68 -1.22 116.25 119.99 1nvw h VAL 875 Ca -0.01 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1nvw h VAL 875 Cb 1.14 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1nvw h VAL 875 CO 0.11 0.29 0.29 0.28 0.02 0.00 0.00 177.57 178.56 1nvw h SER 876 N 1.12 0.79 -0.32 0.57 0.02 -0.20 -1.78 113.55 113.75 1nvw h SER 876 Ca 0.27 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1nvw h SER 876 Cb 0.11 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1nvw h SER 876 CO -0.04 0.70 0.08 0.00 -1.14 0.00 0.00 176.83 176.44 1nvw h ALA 877 N 1.12 0.42 0.00 3.77 0.00 -0.98 -1.50 119.26 122.08 1nvw h ALA 877 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nvw h ALA 877 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nvw h ALA 877 CO -0.03 0.07 -0.11 0.52 0.00 0.00 0.00 179.25 179.71 1nvw h MET 878 N 0.35 0.00 -0.03 0.00 2.86 -1.06 -2.65 114.93 114.41 1nvw h MET 878 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1nvw h MET 878 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1nvw h MET 878 CO -0.00 0.11 -0.06 0.09 1.06 0.00 0.00 176.91 178.11 1nvw n ASN 879 N -3.68 2.62 -4.78 1.22 3.02 -0.68 -2.91 115.26 110.07 1nvw n ASN 879 Ca -0.02 -1.85 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 1nvw n ASN 879 Cb 0.22 0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.52 1nvw n ASN 879 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1nvw s SER 880 N -2.07 4.84 0.26 6.41 1.04 -0.60 -4.66 113.70 118.93 1nvw s SER 880 Ca 0.28 1.84 -0.02 0.00 0.48 0.00 0.00 55.95 58.53 1nvw s SER 880 Cb 0.20 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 64.31 1nvw s SER 880 CO 0.34 -1.81 1.74 0.28 0.98 0.00 0.00 173.24 174.78 1nvw h SER 881 N -0.70 0.40 -0.47 7.02 0.02 -1.91 0.34 113.55 118.25 1nvw h SER 881 Ca -0.45 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 1nvw h SER 881 Cb 1.23 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1nvw h SER 881 CO 0.53 0.15 -0.10 -0.65 -1.14 0.00 0.00 176.83 175.62 1nvw h PRO 882 N 0.52 0.94 0.12 3.45 0.11 -1.92 -3.33 132.00 131.90 1nvw h PRO 882 Ca 0.45 -0.33 -0.32 0.00 0.11 0.00 0.00 66.00 65.91 1nvw h PRO 882 Cb 0.67 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1nvw h PRO 882 CO -0.39 0.99 -1.69 0.28 -0.21 0.00 0.00 178.00 176.98 1nvw h VAL 883 N 0.85 0.84 -0.92 3.15 2.07 -1.71 -3.39 116.25 117.13 1nvw h VAL 883 Ca 0.14 -2.37 0.23 0.00 0.82 0.00 0.00 66.70 65.51 1nvw h VAL 883 Cb 0.64 2.59 -0.13 0.00 -1.52 0.00 0.00 31.29 32.87 1nvw h VAL 883 CO 0.04 0.77 0.44 0.22 0.02 0.00 0.00 177.57 179.07 1nvw h TYR 884 N -0.16 0.74 0.00 1.57 3.20 -0.80 -2.21 116.97 119.31 1nvw h TYR 884 Ca -0.36 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1nvw h TYR 884 Cb 1.88 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.97 1nvw h TYR 884 CO 0.10 -0.03 0.00 2.89 -1.64 0.00 0.00 178.16 179.48 1nvw n ARG 885 N -5.01 0.67 -1.61 1.82 1.85 -1.25 -4.58 116.66 108.54 1nvw n ARG 885 Ca 0.23 0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.69 1nvw n ARG 885 Cb 0.69 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.59 1nvw n ARG 885 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1nvw n LEU 886 N -1.13 7.50 -0.31 2.89 4.77 -0.83 -4.76 117.00 125.13 1nvw n LEU 886 Ca 0.18 -4.24 0.06 0.00 -0.03 0.00 0.00 56.01 51.98 1nvw n LEU 886 Cb 0.15 -1.62 0.22 0.00 -2.33 0.00 0.00 43.42 39.84 1nvw n LEU 886 CO 0.18 1.44 1.14 0.44 -1.33 0.00 0.00 177.39 179.26 1nvw h ASP 887 N 5.65 0.65 0.05 -1.43 3.32 -1.88 -1.30 116.42 121.49 1nvw h ASP 887 Ca 0.67 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.78 1nvw h ASP 887 Cb 0.52 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1nvw h ASP 887 CO 1.85 0.31 -0.05 0.45 -1.72 0.00 0.00 179.24 180.08 1nvw h HIS 888 N 0.74 0.02 0.05 4.55 3.86 -2.00 -0.96 115.15 121.41 1nvw h HIS 888 Ca 0.46 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1nvw h HIS 888 Cb 0.56 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1nvw h HIS 888 CO -0.06 0.07 -0.02 1.15 0.86 0.00 0.00 177.93 179.92 1nvw h THR 889 N 0.02 1.23 0.00 2.45 2.02 -1.64 -3.32 112.91 113.66 1nvw h THR 889 Ca 0.00 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 1nvw h THR 889 Cb 0.10 2.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1nvw h THR 889 CO 0.01 0.36 -0.08 -0.26 0.37 0.00 0.00 175.52 175.92 1nvw h PHE 890 N -0.87 0.00 -0.25 3.16 0.04 -1.34 -2.03 116.94 115.66 1nvw h PHE 890 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1nvw h PHE 890 Cb 0.65 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1nvw h PHE 890 CO 0.16 0.08 -0.07 1.49 -0.60 0.00 0.00 178.31 179.37 1nvw h GLU 891 N 0.00 0.39 -0.49 1.51 4.57 -1.27 -2.41 114.58 116.87 1nvw h GLU 891 Ca -0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1nvw h GLU 891 Cb 0.39 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1nvw h GLU 891 CO 0.01 0.47 0.00 1.04 -1.18 0.00 0.00 179.01 179.35 1nvw n GLN 892 N -4.28 2.09 -3.42 1.92 6.02 -0.76 -4.87 117.38 114.08 1nvw n GLN 892 Ca 0.00 -1.27 -0.37 0.00 -0.01 0.00 0.00 57.00 55.35 1nvw n GLN 892 Cb 0.26 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 1nvw n GLN 892 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1nvw s ILE 893 N -1.63 5.21 0.63 5.09 -1.09 -0.91 -5.05 121.20 123.44 1nvw s ILE 893 Ca 0.23 0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 59.26 1nvw s ILE 893 Cb 0.14 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 1nvw s ILE 893 CO 0.13 0.39 1.28 -0.81 -1.23 0.00 0.00 174.94 174.69 1nvw n PRO 894 N 3.36 1.18 -0.19 2.79 -0.04 -1.26 -4.76 135.00 136.08 1nvw n PRO 894 Ca -0.10 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.81 1nvw n PRO 894 Cb 0.52 -2.52 0.10 0.00 -0.04 0.00 0.00 33.50 31.56 1nvw n PRO 894 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1nvw h SER 895 N 0.65 0.12 -0.90 3.54 0.02 -1.98 -1.98 113.55 113.02 1nvw h SER 895 Ca -0.51 0.09 0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1nvw h SER 895 Cb 1.34 0.09 -0.12 0.00 0.14 0.00 0.00 62.40 63.85 1nvw h SER 895 CO 0.53 0.08 0.41 0.08 -1.14 0.00 0.00 176.83 176.79 1nvw h ARG 896 N 0.33 0.42 0.06 3.45 0.11 -2.00 -0.60 114.38 116.16 1nvw h ARG 896 Ca 0.29 -0.03 -0.27 0.00 0.10 0.00 0.00 59.98 60.08 1nvw h ARG 896 Cb 0.38 -0.10 0.02 0.00 1.11 0.00 0.00 29.97 31.39 1nvw h ARG 896 CO -0.33 0.28 -1.12 1.96 0.10 0.00 0.00 179.97 180.86 1nvw h GLN 897 N 0.44 0.56 -0.72 0.08 4.20 -1.75 -2.57 115.11 115.35 1nvw h GLN 897 Ca 0.55 -0.68 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1nvw h GLN 897 Cb 1.02 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1nvw h GLN 897 CO -0.50 1.28 0.42 0.87 -0.67 0.00 0.00 178.83 180.23 1nvw h LYS 898 N 0.28 0.97 -0.34 1.46 1.57 -0.73 -0.86 116.57 118.92 1nvw h LYS 898 Ca -0.14 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1nvw h LYS 898 Cb 1.79 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 1nvw h LYS 898 CO 0.21 0.69 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.51 1nvw h LYS 899 N 0.99 0.64 -0.20 3.15 3.64 -1.15 -0.00 116.57 123.64 1nvw h LYS 899 Ca 0.26 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1nvw h LYS 899 Cb -0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1nvw h LYS 899 CO -0.05 0.80 0.07 0.82 -2.27 0.00 0.00 179.45 178.82 1nvw h ILE 900 N 0.44 0.95 -0.61 2.00 2.04 -1.01 -0.72 117.51 120.60 1nvw h ILE 900 Ca 0.09 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1nvw h ILE 900 Cb 0.54 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1nvw h ILE 900 CO 0.03 0.03 0.18 0.25 0.00 0.00 0.00 178.15 178.63 1nvw h LEU 901 N 0.17 0.87 0.03 1.44 5.85 -1.07 -2.01 115.31 120.59 1nvw h LEU 901 Ca 0.09 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1nvw h LEU 901 Cb 0.05 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1nvw h LEU 901 CO -0.09 0.83 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.75 1nvw h GLU 902 N 0.90 -0.04 -0.82 1.25 4.57 -0.55 0.16 114.58 120.05 1nvw h GLU 902 Ca 0.20 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1nvw h GLU 902 Cb 0.28 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1nvw h GLU 902 CO -0.01 0.22 0.54 0.93 -1.18 0.00 0.00 179.01 179.52 1nvw h GLU 903 N -0.30 1.08 -0.27 1.92 5.08 -1.07 0.97 114.58 122.00 1nvw h GLU 903 Ca -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nvw h GLU 903 Cb 0.28 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1nvw h GLU 903 CO 0.01 0.72 0.12 0.00 -1.00 0.00 0.00 179.01 178.85 1nvw h ALA 904 N 1.48 0.35 -0.57 3.43 0.00 -1.20 -2.42 119.26 120.32 1nvw h ALA 904 Ca 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1nvw h ALA 904 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1nvw h ALA 904 CO -0.06 -0.07 0.33 1.25 0.00 0.00 0.00 179.25 180.69 1nvw h HIS 905 N 0.29 0.76 0.00 0.00 -0.00 -0.08 -2.35 115.15 113.77 1nvw h HIS 905 Ca 0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1nvw h HIS 905 Cb 0.15 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1nvw h HIS 905 CO -0.01 0.52 -0.02 0.93 -0.00 0.00 0.00 177.93 179.34 1nvw h GLU 906 N 0.79 0.00 -0.65 5.26 5.08 -0.33 -2.85 114.58 121.88 1nvw h GLU 906 Ca 0.21 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1nvw h GLU 906 Cb -0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1nvw h GLU 906 CO -0.04 0.02 0.43 -0.07 -1.00 0.00 0.00 179.01 178.36 1nvw h LEU 907 N 0.00 0.69 0.00 1.33 3.38 -1.29 -2.68 115.31 116.73 1nvw h LEU 907 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nvw h LEU 907 Cb 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1nvw h LEU 907 CO 0.00 0.48 -0.52 -1.54 0.09 0.00 0.00 178.44 176.95 1nvw n SER 908 N -4.46 0.53 -4.74 -0.43 3.41 -1.07 -2.39 113.62 104.47 1nvw n SER 908 Ca 0.08 -0.10 -0.32 0.00 -0.26 0.00 0.00 58.87 58.27 1nvw n SER 908 Cb 0.11 0.20 0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1nvw n SER 908 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nvw s GLU 909 N -3.05 1.97 -1.40 4.33 2.02 -1.01 -1.98 118.70 119.58 1nvw s GLU 909 Ca 0.10 1.38 -0.02 0.00 0.02 0.00 0.00 54.97 56.45 1nvw s GLU 909 Cb 0.16 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.54 1nvw s GLU 909 CO 0.70 -1.89 0.41 -3.47 0.02 0.00 0.00 175.26 171.03 1nvw n ASP 910 N -3.46 -0.60 -3.51 -0.19 2.03 -1.26 -2.24 116.55 107.31 1nvw n ASP 910 Ca 0.11 -1.04 -0.19 0.00 0.52 0.00 0.00 54.79 54.19 1nvw n ASP 910 Cb 0.52 -2.92 0.08 0.00 -0.72 0.00 0.00 41.12 38.08 1nvw n ASP 910 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1nvw n HIS 911 N -4.42 -2.26 -2.24 -0.67 8.25 -1.24 -2.87 115.22 109.78 1nvw n HIS 911 Ca -0.30 0.94 -0.19 0.00 -0.26 0.00 0.00 57.72 57.91 1nvw n HIS 911 Cb 0.68 -4.95 -0.02 0.00 1.12 0.00 0.00 29.99 26.81 1nvw n HIS 911 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nvw n TYR 912 N -4.30 -0.87 0.02 4.41 4.01 -0.84 -4.90 117.16 114.68 1nvw n TYR 912 Ca -0.24 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.40 1nvw n TYR 912 Cb 0.65 -3.68 -0.04 0.00 -0.31 0.00 0.00 39.34 35.95 1nvw n TYR 912 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1nvw h LYS 913 N 0.00 -0.10 -0.10 -0.72 3.64 -1.42 -0.58 116.57 117.30 1nvw h LYS 913 Ca -0.45 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1nvw h LYS 913 Cb 1.33 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1nvw h LYS 913 CO 0.55 -0.07 0.06 0.87 -2.27 0.00 0.00 179.45 178.59 1nvw h LYS 914 N -0.11 0.13 -0.41 1.90 1.79 -1.79 -2.44 116.57 115.64 1nvw h LYS 914 Ca 0.06 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.59 1nvw h LYS 914 Cb 0.19 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 1nvw h LYS 914 CO -0.14 0.14 0.04 -0.92 -1.08 0.00 0.00 179.45 177.49 1nvw h TYR 915 N 0.09 0.05 -0.82 -1.35 3.20 -1.25 0.29 116.97 117.18 1nvw h TYR 915 Ca 0.04 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1nvw h TYR 915 Cb 0.04 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1nvw h TYR 915 CO -0.06 -0.04 0.55 -0.07 -1.64 0.00 0.00 178.16 176.90 1nvw h LEU 916 N 0.15 0.94 -0.19 2.82 3.38 -0.98 0.27 115.31 121.70 1nvw h LEU 916 Ca 0.20 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1nvw h LEU 916 Cb 0.28 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1nvw h LEU 916 CO -0.31 0.68 -0.16 0.00 0.09 0.00 0.00 178.44 178.74 1nvw h ALA 917 N 1.49 0.28 0.09 1.53 0.00 -0.82 -2.44 119.26 119.39 1nvw h ALA 917 Ca 0.31 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nvw h ALA 917 Cb -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1nvw h ALA 917 CO -0.07 0.18 -0.13 -0.22 0.00 0.00 0.00 179.25 179.00 1nvw h LYS 918 N 0.12 -0.26 -0.87 0.00 1.63 0.26 -2.47 116.57 114.97 1nvw h LYS 918 Ca 0.03 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.93 1nvw h LYS 918 Cb 0.69 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.32 1nvw h LYS 918 CO 0.04 -0.17 0.57 1.25 -3.45 0.00 0.00 179.45 177.69 1nvw h LEU 919 N -0.27 0.83 -1.31 5.20 5.85 -0.50 -0.96 115.31 124.15 1nvw h LEU 919 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1nvw h LEU 919 Cb 0.28 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1nvw h LEU 919 CO -0.07 0.52 0.00 0.03 -0.34 0.00 0.00 178.44 178.58 1nvw h ARG 920 N 0.94 0.00 0.00 1.25 3.08 -1.03 -3.29 114.38 115.33 1nvw h ARG 920 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1nvw h ARG 920 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1nvw h ARG 920 CO -0.15 0.00 -1.78 -1.13 -1.07 0.00 0.00 179.97 175.84 1nvw n SER 921 N -3.04 0.65 -4.75 7.04 3.41 -0.42 -5.02 113.62 111.49 1nvw n SER 921 Ca 0.01 -0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.23 1nvw n SER 921 Cb 0.32 1.79 0.12 0.00 -0.26 0.00 0.00 64.21 66.18 1nvw n SER 921 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1nvw s ILE 922 N -3.28 2.87 -0.37 -1.33 -5.25 -0.83 -5.01 121.20 108.00 1nvw s ILE 922 Ca -0.06 0.28 -0.11 0.00 -0.99 0.00 0.00 60.65 59.77 1nvw s ILE 922 Cb 0.12 -2.84 0.02 0.00 2.95 0.00 0.00 42.46 42.71 1nvw s ILE 922 CO 0.79 -0.37 0.21 0.21 -1.79 0.00 0.00 174.94 174.00 1nvw s ASN 923 N -3.56 5.78 1.21 4.36 2.47 -1.26 -5.06 114.94 118.88 1nvw s ASN 923 Ca 0.62 -0.85 -0.16 0.00 0.42 0.00 0.00 52.86 52.89 1nvw s ASN 923 Cb -0.17 -2.05 0.29 0.00 -1.45 0.00 0.00 41.25 37.88 1nvw s ASN 923 CO 0.56 -0.35 1.03 -2.16 -3.72 0.00 0.00 177.10 172.46 1nvw s PRO 924 N 1.60 -1.31 0.80 0.43 0.04 -1.26 -4.81 135.00 130.49 1nvw s PRO 924 Ca 0.03 0.42 -0.14 0.00 0.04 0.00 0.00 61.00 61.35 1nvw s PRO 924 Cb -0.19 -1.54 0.03 0.00 0.04 0.00 0.00 34.50 32.84 1nvw s PRO 924 CO 0.07 -3.87 0.85 -0.35 0.04 0.00 0.00 177.00 173.74 1nvw n PRO 925 N -4.96 0.18 -3.81 0.56 -0.04 -1.26 -5.09 135.00 120.57 1nvw n PRO 925 Ca 0.07 0.12 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1nvw n PRO 925 Cb 0.57 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1nvw n PRO 925 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nvw s VAL 927 N -3.91 1.19 1.04 0.00 1.01 -0.72 -4.96 120.40 114.05 1nvw s VAL 927 Ca 0.11 -2.05 -0.12 0.00 0.00 0.00 0.00 61.98 59.92 1nvw s VAL 927 Cb -0.04 -1.86 0.21 0.00 0.00 0.00 0.00 36.38 34.69 1nvw s VAL 927 CO 0.04 -0.80 1.07 -2.16 0.00 0.00 0.00 175.10 173.25 1nvw s PRO 928 N 0.91 0.10 -0.35 2.72 0.04 -1.26 -1.70 135.00 135.46 1nvw s PRO 928 Ca 0.14 0.75 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 1nvw s PRO 928 Cb -0.21 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1nvw s PRO 928 CO -0.10 -3.01 0.64 0.12 0.04 0.00 0.00 177.00 174.68 1nvw s PHE 929 N -2.76 3.16 0.35 0.56 5.36 -1.26 -4.19 117.98 119.20 1nvw s PHE 929 Ca 0.66 0.39 0.21 0.00 -0.96 0.00 0.00 56.93 57.24 1nvw s PHE 929 Cb -0.21 -3.11 1.09 0.00 -0.34 0.00 0.00 43.02 40.44 1nvw s PHE 929 CO 0.60 -0.60 1.94 0.35 -1.46 0.00 0.00 175.22 176.05 1nvw h PHE 930 N 8.41 0.00 -0.82 10.12 3.04 -1.99 -3.27 116.94 132.43 1nvw h PHE 930 Ca -0.26 0.00 0.20 0.00 3.98 0.00 0.00 57.97 61.89 1nvw h PHE 930 Cb 1.11 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 39.48 1nvw h PHE 930 CO 0.75 0.23 0.07 0.78 -2.02 0.00 0.00 178.31 178.12 1nvw h GLY 931 N 1.16 1.04 0.66 2.40 0.00 -2.00 -1.16 103.07 105.17 1nvw h GLY 931 Ca -0.00 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1nvw h GLY 931 CO 0.03 -0.34 0.38 -2.22 0.00 0.00 0.00 176.54 174.39 1nvw h ILE 932 N 0.12 0.96 -0.54 2.60 1.08 -2.01 -2.29 117.51 117.43 1nvw h ILE 932 Ca 0.48 -0.24 -0.09 0.00 -0.39 0.00 0.00 64.86 64.62 1nvw h ILE 932 Cb 0.90 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1nvw h ILE 932 CO -0.70 0.13 -0.02 1.88 -0.69 0.00 0.00 178.15 178.75 1nvw h TYR 933 N 0.69 1.07 -0.19 1.37 0.05 -1.44 -2.36 116.97 116.16 1nvw h TYR 933 Ca 0.31 -0.19 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1nvw h TYR 933 Cb 0.21 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1nvw h TYR 933 CO -0.08 0.98 0.11 -0.07 -1.05 0.00 0.00 178.16 178.05 1nvw h LEU 934 N 0.85 0.24 -0.83 3.88 3.38 -1.17 -0.12 115.31 121.54 1nvw h LEU 934 Ca 0.15 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1nvw h LEU 934 Cb 0.57 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1nvw h LEU 934 CO 0.03 0.23 0.54 0.74 0.09 0.00 0.00 178.44 180.07 1nvw h THR 935 N 0.23 1.16 -0.26 0.22 2.02 -1.34 -1.52 112.91 113.42 1nvw h THR 935 Ca 0.07 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 1nvw h THR 935 Cb 0.03 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1nvw h THR 935 CO -0.01 0.19 -0.34 0.78 0.37 0.00 0.00 175.52 176.51 1nvw h ASN 936 N 1.06 0.74 -0.58 4.18 2.35 -1.11 -1.57 115.58 120.65 1nvw h ASN 936 Ca 0.32 -0.50 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1nvw h ASN 936 Cb -0.04 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1nvw h ASN 936 CO -0.10 1.10 0.38 0.40 -1.65 0.00 0.00 177.43 177.57 1nvw h ILE 937 N 0.41 1.15 -0.11 2.81 2.04 -0.89 -0.56 117.51 122.36 1nvw h ILE 937 Ca 0.03 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1nvw h ILE 937 Cb 0.92 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1nvw h ILE 937 CO 0.08 0.14 0.03 0.25 0.00 0.00 0.00 178.15 178.66 1nvw h LEU 938 N 0.78 0.15 -1.41 1.44 5.85 -1.21 -1.06 115.31 119.86 1nvw h LEU 938 Ca 0.21 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1nvw h LEU 938 Cb -0.09 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1nvw h LEU 938 CO -0.05 0.32 0.39 0.11 -0.34 0.00 0.00 178.44 178.87 1nvw h LYS 939 N -0.02 0.79 -0.19 1.25 1.57 -1.12 0.01 116.57 118.86 1nvw h LYS 939 Ca 0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1nvw h LYS 939 Cb 0.22 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1nvw h LYS 939 CO -0.00 0.52 -0.32 1.15 -0.57 0.00 0.00 179.45 180.24 1nvw h THR 940 N 0.81 1.28 0.06 -0.16 2.02 -0.70 0.26 112.91 116.49 1nvw h THR 940 Ca 0.22 -1.35 -0.24 0.00 0.77 0.00 0.00 66.41 65.80 1nvw h THR 940 Cb -0.09 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1nvw h THR 940 CO -0.05 0.42 -1.08 -0.33 0.37 0.00 0.00 175.52 174.85 1nvw h GLU 941 N 0.33 0.21 -0.01 6.66 4.39 -0.26 -3.24 114.58 122.66 1nvw h GLU 941 Ca 0.04 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1nvw h GLU 941 Cb 0.72 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1nvw h GLU 941 CO 0.06 1.10 -0.30 0.39 -1.16 0.00 0.00 179.01 179.10 1nvw n GLU 942 N -3.54 0.82 -0.08 2.33 1.02 -0.10 -4.16 120.64 116.93 1nvw n GLU 942 Ca -0.05 -0.51 0.03 0.00 -0.02 0.00 0.00 57.16 56.61 1nvw n GLU 942 Cb 0.94 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.94 1nvw n GLU 942 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nvw n GLY 943 N 1.36 3.03 2.84 0.62 0.00 0.07 -4.97 105.19 108.13 1nvw n GLY 943 Ca 0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1nvw n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nvw s ASN 944 N -1.11 0.39 0.56 1.61 0.01 -1.22 -5.02 114.94 110.15 1nvw s ASN 944 Ca 0.11 -0.03 -0.20 0.00 -0.71 0.00 0.00 52.86 52.04 1nvw s ASN 944 Cb 0.07 -0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.49 1nvw s ASN 944 CO 0.06 -0.07 1.17 -2.16 -1.51 0.00 0.00 177.10 174.59 1nvw s PRO 945 N 0.79 3.23 0.26 -0.60 0.04 -1.26 -4.88 135.00 132.59 1nvw s PRO 945 Ca -0.08 1.73 0.11 0.00 0.04 0.00 0.00 61.00 62.80 1nvw s PRO 945 Cb -0.11 -2.01 0.29 0.00 0.04 0.00 0.00 34.50 32.70 1nvw s PRO 945 CO -0.01 -0.97 1.56 0.93 0.04 0.00 0.00 177.00 178.54 1nvw h GLU 946 N 1.15 0.00 -4.95 4.56 4.39 -1.93 -3.44 114.58 114.37 1nvw h GLU 946 Ca -0.50 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 58.89 1nvw h GLU 946 Cb 1.28 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.75 1nvw h GLU 946 CO 0.56 0.64 -0.73 0.14 -1.16 0.00 0.00 179.01 178.47 1nvw s VAL 947 N -3.40 0.94 -0.12 3.13 -7.23 -1.26 -1.48 120.40 110.97 1nvw s VAL 947 Ca -0.00 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1nvw s VAL 947 Cb 0.12 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.63 1nvw s VAL 947 CO 0.76 -0.61 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.98 1nvw s LEU 948 N -2.57 2.01 -0.03 1.32 1.43 -0.38 -4.81 118.68 115.64 1nvw s LEU 948 Ca 0.07 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 1nvw s LEU 948 Cb -0.02 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1nvw s LEU 948 CO -0.00 0.08 0.48 -0.54 0.23 0.00 0.00 176.35 176.59 1nvw s LYS 949 N 0.77 4.16 -0.14 1.70 1.02 -1.26 -1.09 119.74 124.91 1nvw s LYS 949 Ca -0.09 0.51 -0.04 0.00 0.02 0.00 0.00 55.97 56.37 1nvw s LYS 949 Cb -0.16 -3.32 0.06 0.00 -0.52 0.00 0.00 37.83 33.90 1nvw s LYS 949 CO 0.00 0.45 0.15 1.03 -0.92 0.00 0.00 175.35 176.07 1nvw s ARG 950 N -0.36 0.08 -1.48 1.68 1.81 -0.51 -4.85 118.95 115.31 1nvw s ARG 950 Ca 0.26 0.29 -0.07 0.00 -1.72 0.00 0.00 55.73 54.49 1nvw s ARG 950 Cb -0.17 -0.93 0.02 0.00 -0.45 0.00 0.00 34.95 33.42 1nvw s ARG 950 CO 0.13 -0.50 0.82 0.72 -0.68 0.00 0.00 175.30 175.80 1nvw n HIS 951 N 5.31 -2.29 0.00 -0.53 8.25 -1.26 -2.05 115.22 122.65 1nvw n HIS 951 Ca -0.05 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1nvw n HIS 951 Cb 0.50 -4.52 0.00 0.00 1.12 0.00 0.00 29.99 27.08 1nvw n HIS 951 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nvw n GLY 952 N -1.67 2.10 3.67 -1.41 0.00 -1.26 -5.00 105.19 101.62 1nvw n GLY 952 Ca -0.05 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1nvw n GLY 952 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nvw n LYS 953 N 0.00 1.76 -3.66 1.61 4.76 -0.87 -4.97 118.16 116.79 1nvw n LYS 953 Ca 0.00 0.63 -0.39 0.00 -2.87 0.00 0.00 58.31 55.67 1nvw n LYS 953 Cb 0.00 -2.27 -0.11 0.00 -1.84 0.00 0.00 35.03 30.81 1nvw n LYS 953 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1nvw s GLU 954 N -2.12 2.69 0.25 1.97 2.02 -1.26 -1.43 118.70 120.81 1nvw s GLU 954 Ca 0.61 -1.21 -0.05 0.00 0.02 0.00 0.00 54.97 54.35 1nvw s GLU 954 Cb -0.53 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.01 1nvw s GLU 954 CO 0.58 -0.75 0.51 -0.51 0.02 0.00 0.00 175.26 175.11 1nvw s LEU 955 N 1.46 4.12 -0.06 1.80 1.43 -0.25 -4.87 118.68 122.32 1nvw s LEU 955 Ca 0.01 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1nvw s LEU 955 Cb -0.20 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1nvw s LEU 955 CO 0.04 -0.13 1.13 -0.63 0.23 0.00 0.00 176.35 176.99 1nvw s ILE 956 N -1.97 4.44 -1.02 -0.59 -1.09 0.14 -1.25 121.20 119.86 1nvw s ILE 956 Ca 0.43 1.75 -0.23 0.00 -2.23 0.00 0.00 60.65 60.37 1nvw s ILE 956 Cb -0.11 -4.12 0.03 0.00 -1.58 0.00 0.00 42.46 36.68 1nvw s ILE 956 CO 0.28 0.01 1.56 0.21 -1.23 0.00 0.00 174.94 175.77 1nvw s ASN 957 N 1.31 6.26 0.46 3.58 2.47 -0.55 -2.16 114.94 126.31 1nvw s ASN 957 Ca 0.53 -1.38 0.26 0.00 0.42 0.00 0.00 52.86 52.70 1nvw s ASN 957 Cb -0.23 -2.57 0.76 0.00 -1.45 0.00 0.00 41.25 37.77 1nvw s ASN 957 CO 0.21 -1.73 1.76 0.15 -3.72 0.00 0.00 177.10 173.77 1nvw h PHE 958 N 9.93 0.00 0.00 0.43 3.57 -1.71 -3.07 116.94 126.09 1nvw h PHE 958 Ca 0.20 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1nvw h PHE 958 Cb 1.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1nvw h PHE 958 CO 1.28 0.10 -0.33 0.66 -2.23 0.00 0.00 178.31 177.79 1nvw h SER 959 N 0.00 0.00 -0.28 0.41 4.64 -1.57 0.57 113.55 117.31 1nvw h SER 959 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1nvw h SER 959 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1nvw h SER 959 CO 0.01 0.33 -0.20 0.50 -0.87 0.00 0.00 176.83 176.61 1nvw h LYS 960 N 0.00 0.75 -0.14 4.77 3.64 -1.83 -2.30 116.57 121.46 1nvw h LYS 960 Ca -0.00 -0.29 -0.18 0.00 -1.27 0.00 0.00 60.65 58.91 1nvw h LYS 960 Cb 0.67 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1nvw h LYS 960 CO 0.04 0.89 -0.67 0.00 -2.27 0.00 0.00 179.45 177.44 1nvw h ARG 961 N 0.66 0.55 0.00 1.90 -0.00 -1.28 -2.63 114.38 113.58 1nvw h ARG 961 Ca 0.10 -0.41 -0.05 0.00 -0.50 0.00 0.00 59.98 59.12 1nvw h ARG 961 Cb 0.69 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.73 1nvw h ARG 961 CO 0.05 1.03 -0.23 -0.09 0.00 0.00 0.00 179.97 180.74 1nvw h ARG 962 N 0.40 0.00 -0.09 0.04 2.43 -0.76 -1.35 114.38 115.05 1nvw h ARG 962 Ca -0.02 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1nvw h ARG 962 Cb 1.25 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1nvw h ARG 962 CO 0.12 0.23 -0.83 0.87 -1.51 0.00 0.00 179.97 178.86 1nvw h LYS 963 N 0.00 0.62 -0.17 0.20 1.57 -1.20 -1.20 116.57 116.40 1nvw h LYS 963 Ca -0.00 -0.55 -0.21 0.00 -1.87 0.00 0.00 60.65 58.01 1nvw h LYS 963 Cb 0.46 0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1nvw h LYS 963 CO 0.03 1.17 -0.72 0.28 -0.57 0.00 0.00 179.45 179.64 1nvw h VAL 964 N 0.41 1.28 0.00 0.50 2.07 -1.17 -3.06 116.25 116.27 1nvw h VAL 964 Ca -0.06 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.48 1nvw h VAL 964 Cb 1.45 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1nvw h VAL 964 CO 0.16 0.61 -0.26 0.00 0.02 0.00 0.00 177.57 178.09 1nvw h ALA 965 N 0.56 1.18 -0.29 1.67 0.00 -1.27 -0.79 119.26 120.31 1nvw h ALA 965 Ca -0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1nvw h ALA 965 Cb 1.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1nvw h ALA 965 CO 0.15 0.33 -0.24 1.49 0.00 0.00 0.00 179.25 180.98 1nvw h GLU 966 N 0.00 0.55 0.03 0.00 4.81 -1.12 0.24 114.58 119.08 1nvw h GLU 966 Ca -0.00 -0.21 -0.20 0.00 -0.13 0.00 0.00 59.36 58.82 1nvw h GLU 966 Cb 0.64 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.00 1nvw h GLU 966 CO 0.03 0.75 -0.80 0.82 -0.73 0.00 0.00 179.01 179.08 1nvw h ILE 967 N 0.48 1.38 0.00 2.32 2.04 -1.26 -2.45 117.51 120.03 1nvw h ILE 967 Ca 0.07 -2.20 -0.07 0.00 1.00 0.00 0.00 64.86 63.66 1nvw h ILE 967 Cb 0.68 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1nvw h ILE 967 CO 0.05 0.65 -0.33 0.71 0.00 0.00 0.00 178.15 179.23 1nvw h THR 968 N 0.03 1.15 -0.35 -0.27 1.35 -1.08 -1.97 112.91 111.77 1nvw h THR 968 Ca -0.11 -1.18 -0.10 0.00 -0.55 0.00 0.00 66.41 64.47 1nvw h THR 968 Cb 1.50 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 1nvw h THR 968 CO 0.16 0.33 -0.18 1.23 -0.25 0.00 0.00 175.52 176.81 1nvw h GLY 969 N 1.14 0.81 0.98 5.82 0.00 -0.94 -1.27 103.07 109.61 1nvw h GLY 969 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1nvw h GLY 969 CO 0.04 0.67 0.28 -2.09 0.00 0.00 0.00 176.54 175.44 1nvw h GLU 970 N 0.53 0.72 -0.49 4.80 4.81 -1.11 0.61 114.58 124.45 1nvw h GLU 970 Ca 0.08 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1nvw h GLU 970 Cb 0.72 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1nvw h GLU 970 CO 0.05 0.56 0.29 0.82 -0.73 0.00 0.00 179.01 180.00 1nvw h ILE 971 N 0.69 1.04 -0.26 2.32 2.04 -1.26 -2.37 117.51 119.71 1nvw h ILE 971 Ca 0.18 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1nvw h ILE 971 Cb 0.05 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1nvw h ILE 971 CO -0.03 0.10 -0.17 1.56 0.00 0.00 0.00 178.15 179.61 1nvw h GLN 972 N 0.57 0.46 -0.80 2.37 4.20 -0.70 -2.83 115.11 118.38 1nvw h GLN 972 Ca 0.20 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1nvw h GLN 972 Cb 0.04 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1nvw h GLN 972 CO -0.10 0.62 0.52 0.37 -0.67 0.00 0.00 178.83 179.58 1nvw h GLN 973 N 0.42 0.96 -0.04 1.46 -0.00 -0.35 -0.68 115.11 116.89 1nvw h GLN 973 Ca 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1nvw h GLN 973 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.81 1nvw h GLN 973 CO 0.04 0.64 0.00 0.66 0.00 0.00 0.00 178.83 180.16 1nvw n TYR 974 N -4.45 0.04 0.86 3.99 4.01 -1.07 -3.56 117.16 116.99 1nvw n TYR 974 Ca 0.10 -0.02 0.11 0.00 -0.16 0.00 0.00 57.90 57.93 1nvw n TYR 974 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 1nvw n TYR 974 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1nvw n GLN 975 N -0.47 0.09 -0.04 -0.72 6.02 -0.26 -4.50 117.38 117.50 1nvw n GLN 975 Ca 0.18 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 57.02 1nvw n GLN 975 Cb 0.17 -1.52 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 1nvw n GLN 975 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1nvw h ASN 976 N 0.00 0.10 -2.84 1.08 2.35 -1.60 -3.45 115.58 111.21 1nvw h ASN 976 Ca 0.00 -0.75 -0.57 0.00 -0.55 0.00 0.00 56.30 54.43 1nvw h ASN 976 Cb 0.57 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1nvw h ASN 976 CO 0.00 0.84 1.14 -1.10 -1.65 0.00 0.00 177.43 176.65 1nvw s GLN 977 N -3.22 3.69 0.32 0.81 1.11 -1.26 -5.01 119.66 116.09 1nvw s GLN 977 Ca -0.17 1.49 -0.13 0.00 0.01 0.00 0.00 55.36 56.57 1nvw s GLN 977 Cb 0.00 -4.05 -0.08 0.00 -1.01 0.00 0.00 33.01 27.87 1nvw s GLN 977 CO 0.71 -1.42 0.69 -1.25 0.01 0.00 0.00 175.29 174.03 1nvw s PRO 978 N 4.85 3.91 0.06 2.91 0.04 -1.26 -4.60 135.00 140.90 1nvw s PRO 978 Ca 0.70 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 1nvw s PRO 978 Cb -0.22 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1nvw s PRO 978 CO 0.30 0.16 0.95 0.71 0.04 0.00 0.00 177.00 179.16 1nvw s TYR 979 N -2.02 3.74 -1.25 0.56 2.02 -1.26 -4.73 117.35 114.40 1nvw s TYR 979 Ca 0.52 1.72 -0.10 0.00 -0.37 0.00 0.00 57.07 58.84 1nvw s TYR 979 Cb -0.10 -3.06 0.18 0.00 -0.40 0.00 0.00 41.96 38.57 1nvw s TYR 979 CO 0.21 0.12 1.75 0.00 -1.57 0.00 0.00 175.55 176.06 1nvw s LEU 981 N 0.11 2.03 0.01 0.00 1.43 -1.26 -4.42 118.68 116.57 1nvw s LEU 981 Ca 0.40 -0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 53.07 1nvw s LEU 981 Cb 0.06 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 1nvw s LEU 981 CO 0.01 0.10 0.75 -0.60 0.23 0.00 0.00 176.35 176.85 1nvw s ARG 982 N -0.26 4.47 0.29 1.70 3.52 -1.26 -5.03 118.95 122.38 1nvw s ARG 982 Ca 0.03 1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 56.36 1nvw s ARG 982 Cb -0.04 -3.39 -0.10 0.00 -1.56 0.00 0.00 34.95 29.87 1nvw s ARG 982 CO -0.00 0.21 1.10 0.08 -0.81 0.00 0.00 175.30 175.87 1nvw s VAL 983 N 0.24 3.50 -0.44 7.11 1.01 -1.26 -4.96 120.40 125.60 1nvw s VAL 983 Ca 0.39 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.87 1nvw s VAL 983 Cb -0.20 -3.94 0.12 0.00 0.00 0.00 0.00 36.38 32.37 1nvw s VAL 983 CO 0.22 0.34 0.20 -0.70 0.00 0.00 0.00 175.10 175.15 1nvw s GLU 984 N -1.51 1.90 0.27 2.72 -6.30 -1.26 -5.01 118.70 109.51 1nvw s GLU 984 Ca 0.45 -2.15 -0.02 0.00 -2.50 0.00 0.00 54.97 50.76 1nvw s GLU 984 Cb -0.31 -3.41 0.58 0.00 0.00 0.00 0.00 34.13 30.99 1nvw s GLU 984 CO 0.40 -1.05 1.43 0.43 0.02 0.00 0.00 175.26 176.49 1nvw n SER 985 N 3.94 -0.20 -0.09 -1.70 7.64 -1.26 -1.18 113.62 120.77 1nvw n SER 985 Ca 0.03 1.56 -0.14 0.00 1.01 0.00 0.00 58.87 61.33 1nvw n SER 985 Cb 0.39 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1nvw n SER 985 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1nvw h ASP 986 N 0.00 0.98 -0.35 6.43 3.32 -1.98 -0.38 116.42 124.43 1nvw h ASP 986 Ca 0.50 -0.49 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1nvw h ASP 986 Cb 0.94 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1nvw h ASP 986 CO -0.89 1.29 -0.14 0.40 -1.72 0.00 0.00 179.24 178.18 1nvw h ILE 987 N 0.71 1.28 -0.48 0.35 2.04 -1.71 0.92 117.51 120.62 1nvw h ILE 987 Ca 0.03 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.71 1nvw h ILE 987 Cb 1.08 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 1nvw h ILE 987 CO 0.11 0.41 0.20 0.50 0.00 0.00 0.00 178.15 179.36 1nvw h LYS 988 N 0.50 0.38 -0.47 2.37 3.64 -1.11 -1.49 116.57 120.39 1nvw h LYS 988 Ca 0.08 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1nvw h LYS 988 Cb 0.67 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1nvw h LYS 988 CO 0.05 0.25 0.20 -0.09 -2.27 0.00 0.00 179.45 177.58 1nvw h ARG 989 N 0.39 0.70 -0.71 1.90 2.43 -0.81 -1.20 114.38 117.09 1nvw h ARG 989 Ca 0.23 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1nvw h ARG 989 Cb 0.20 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1nvw h ARG 989 CO -0.21 0.63 0.37 0.35 -1.51 0.00 0.00 179.97 179.60 1nvw h PHE 990 N 0.62 0.67 0.00 2.20 3.57 -0.17 -1.82 116.94 122.01 1nvw h PHE 990 Ca 0.16 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1nvw h PHE 990 Cb 0.18 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1nvw h PHE 990 CO 0.00 0.27 -0.29 0.74 -2.23 0.00 0.00 178.31 176.81 1nvw h PHE 991 N 0.65 0.00 -0.01 0.41 0.04 -1.04 -3.12 116.94 113.86 1nvw h PHE 991 Ca 0.34 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.94 1nvw h PHE 991 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1nvw h PHE 991 CO -0.09 0.29 -0.76 0.93 -0.60 0.00 0.00 178.31 178.07 1nvw h GLU 992 N 0.00 0.12 -0.32 1.51 5.08 -0.44 -3.15 114.58 117.38 1nvw h GLU 992 Ca -0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1nvw h GLU 992 Cb 1.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1nvw h GLU 992 CO 0.04 0.82 0.00 0.09 -1.00 0.00 0.00 179.01 178.96 1nvw n ASN 993 N -3.70 2.13 -4.72 1.42 3.02 -0.78 -4.93 115.26 107.70 1nvw n ASN 993 Ca -0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1nvw n ASN 993 Cb 0.73 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 1nvw n ASN 993 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nvw s LEU 994 N -1.26 4.37 -0.44 3.41 1.43 -1.19 -4.94 118.68 120.07 1nvw s LEU 994 Ca 0.31 2.83 0.05 0.00 -1.03 0.00 0.00 54.13 56.29 1nvw s LEU 994 Cb 0.16 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.97 1nvw s LEU 994 CO 0.23 -0.96 0.47 -3.20 0.23 0.00 0.00 176.35 173.12 1nvw n ASN 995 N 4.13 -1.38 -0.18 2.29 5.15 -1.26 -5.00 115.26 119.00 1nvw n ASN 995 Ca 0.16 -2.56 -0.04 0.00 -0.60 0.00 0.00 54.58 51.54 1nvw n ASN 995 Cb 0.36 0.17 0.06 0.00 -0.53 0.00 0.00 39.78 39.84 1nvw n ASN 995 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1nvw h PRO 996 N 5.34 0.53 -0.03 1.20 0.11 -1.92 -2.91 132.00 134.31 1nvw h PRO 996 Ca 0.19 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 1nvw h PRO 996 Cb 0.97 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1nvw h PRO 996 CO 0.27 0.35 -0.32 0.52 -0.21 0.00 0.00 178.00 178.61 1nvw h MET 997 N 0.54 0.06 0.00 1.05 2.86 -1.94 -3.49 114.93 114.02 1nvw h MET 997 Ca 0.24 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1nvw h MET 997 Cb 0.15 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1nvw h MET 997 CO -0.16 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.59 1nvw n GLY 998 N -0.56 2.18 0.23 8.32 0.00 -1.10 -2.50 105.19 111.76 1nvw n GLY 998 Ca -0.02 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.63 1nvw n GLY 998 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nvw n ASN 999 N 2.51 0.77 -4.83 1.61 5.03 -1.26 -4.91 115.26 114.17 1nvw n ASN 999 Ca 0.00 -1.09 -0.30 0.00 0.87 0.00 0.00 54.58 54.05 1nvw n ASN 999 Cb 0.00 -0.01 0.06 0.00 -1.02 0.00 0.00 39.78 38.81 1nvw n ASN 999 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1nvw s SER 1000N -2.14 5.21 0.36 6.41 0.01 -1.04 -5.07 113.70 117.43 1nvw s SER 1000Ca 0.38 1.40 0.02 0.00 1.31 0.00 0.00 55.95 59.06 1nvw s SER 1000Cb 0.21 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 1nvw s SER 1000CO 0.39 -1.52 0.55 -0.04 0.41 0.00 0.00 173.24 173.02 1nvw s MET 1001N -5.15 3.34 0.11 12.44 -1.94 -1.26 -4.90 119.30 121.93 1nvw s MET 1001Ca 0.59 -0.50 -0.24 0.00 -1.71 0.00 0.00 55.69 53.83 1nvw s MET 1001Cb -0.13 -2.68 -0.07 0.00 2.01 0.00 0.00 34.83 33.96 1nvw s MET 1001CO 0.54 0.08 1.40 1.49 -0.01 0.00 0.00 175.02 178.52 1nvw h GLU 1002N 0.74 -0.15 -0.12 2.03 4.81 -1.97 -0.35 114.58 119.55 1nvw h GLU 1002Ca -0.49 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1nvw h GLU 1002Cb 1.23 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1nvw h GLU 1002CO 0.59 -0.10 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.37 1nvw h LYS 1003N -0.16 -0.22 -0.96 1.92 3.64 -1.98 0.37 116.57 119.18 1nvw h LYS 1003Ca 0.08 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1nvw h LYS 1003Cb 0.38 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1nvw h LYS 1003CO -0.56 -0.15 0.61 1.49 -2.27 0.00 0.00 179.45 178.57 1nvw h GLU 1004N -0.23 1.04 -0.07 1.90 4.81 -1.87 0.83 114.58 120.98 1nvw h GLU 1004Ca 0.09 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 1nvw h GLU 1004Cb 0.37 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1nvw h GLU 1004CO -0.26 0.68 -0.48 0.35 -0.73 0.00 0.00 179.01 178.58 1nvw h PHE 1005N 1.07 0.63 -0.74 0.92 3.57 -0.49 -1.83 116.94 120.06 1nvw h PHE 1005Ca 0.43 -0.29 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1nvw h PHE 1005Cb 0.24 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1nvw h PHE 1005CO -0.01 1.06 0.45 1.15 -2.23 0.00 0.00 178.31 178.73 1nvw h THR 1006N 0.01 1.05 -0.60 4.41 2.02 0.06 -1.21 112.91 118.65 1nvw h THR 1006Ca -0.04 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1nvw h THR 1006Cb 1.14 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1nvw h THR 1006CO 0.10 0.16 0.04 0.44 0.37 0.00 0.00 175.52 176.63 1nvw h ASP 1007N 0.86 0.99 -0.20 4.18 3.32 -0.83 -2.24 116.42 122.50 1nvw h ASP 1007Ca 0.31 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1nvw h ASP 1007Cb 0.10 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1nvw h ASP 1007CO -0.14 1.02 0.01 0.22 -1.72 0.00 0.00 179.24 178.62 1nvw h TYR 1008N 0.95 0.01 -0.86 4.55 3.20 -0.47 0.40 116.97 124.76 1nvw h TYR 1008Ca 0.18 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1nvw h TYR 1008Cb 0.49 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1nvw h TYR 1008CO 0.03 -0.01 0.53 -0.07 -1.64 0.00 0.00 178.16 177.00 1nvw h LEU 1009N 0.08 1.02 -0.35 2.82 3.38 -1.08 -1.30 115.31 119.88 1nvw h LEU 1009Ca 0.09 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1nvw h LEU 1009Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1nvw h LEU 1009CO -0.15 0.77 -0.06 0.15 0.09 0.00 0.00 178.44 179.25 1nvw h PHE 1010N 1.17 0.74 -0.87 1.13 3.57 -0.87 -1.54 116.94 120.27 1nvw h PHE 1010Ca 0.31 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1nvw h PHE 1010Cb -0.07 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 1nvw h PHE 1010CO -0.00 0.81 0.56 -0.91 -2.23 0.00 0.00 178.31 176.53 1nvw h ASN 1011N 0.46 1.01 -0.74 0.41 2.35 -0.64 -1.07 115.58 117.35 1nvw h ASN 1011Ca 0.09 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1nvw h ASN 1011Cb 0.55 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 1nvw h ASN 1011CO 0.03 0.74 0.43 0.11 -1.65 0.00 0.00 177.43 177.09 1nvw h LYS 1012N 1.18 0.74 -0.78 0.81 1.79 -0.97 0.62 116.57 119.97 1nvw h LYS 1012Ca 0.32 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.77 1nvw h LYS 1012Cb -0.12 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.33 1nvw h LYS 1012CO -0.07 0.49 0.51 1.03 -1.08 0.00 0.00 179.45 180.34 1nvw h SER 1013N 0.76 0.85 0.67 0.86 0.87 -0.20 -0.26 113.55 117.10 1nvw h SER 1013Ca 0.34 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.77 1nvw h SER 1013Cb 0.23 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1nvw h SER 1013CO -0.20 0.59 -0.56 -0.07 -0.53 0.00 0.00 176.83 176.07 1nvw h LEU 1014N 0.99 0.00 0.07 2.23 3.38 0.05 -2.55 115.31 119.49 1nvw h LEU 1014Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1nvw h LEU 1014Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nvw h LEU 1014CO -0.08 0.56 -0.04 -0.08 0.09 0.00 0.00 178.44 178.89 1nvw h GLU 1015N 0.00 -0.10 0.00 1.13 4.81 0.49 -2.40 114.58 118.51 1nvw h GLU 1015Ca -0.01 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1nvw h GLU 1015Cb 1.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1nvw h GLU 1015CO 0.07 0.42 -0.22 -0.84 -0.73 0.00 0.00 179.01 177.71 1nvw h ILE 1016N -0.69 0.56 -1.66 2.32 3.07 -1.16 -3.38 117.51 116.58 1nvw h ILE 1016Ca -0.01 -1.07 -0.34 0.00 1.55 0.00 0.00 64.86 64.98 1nvw h ILE 1016Cb 0.56 1.73 -0.27 0.00 -0.27 0.00 0.00 36.82 38.57 1nvw h ILE 1016CO 0.02 0.22 -0.70 -1.61 -1.05 0.00 0.00 178.15 175.02 1nvw s GLU 1017N -3.70 0.93 0.82 0.16 2.02 -0.96 -4.74 118.70 113.23 1nvw s GLU 1017Ca 0.00 -1.39 -0.14 0.00 0.02 0.00 0.00 54.97 53.46 1nvw s GLU 1017Cb 0.11 -0.66 0.01 0.00 0.10 0.00 0.00 34.13 33.69 1nvw s GLU 1017CO 0.63 -1.33 0.63 -2.30 0.02 0.00 0.00 175.26 172.92 1nvw n PRO 1018N 3.17 0.08 -2.40 0.39 -0.02 -0.90 -4.52 135.00 130.79 1nvw n PRO 1018Ca 0.21 0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 1nvw n PRO 1018Cb 0.51 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1nvw n PRO 1018CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nvw s ARG 1019N -3.35 4.07 0.57 -0.52 0.52 -1.26 -4.80 118.95 114.18 1nvw s ARG 1019Ca 0.64 1.69 -0.20 0.00 -0.52 0.00 0.00 55.73 57.34 1nvw s ARG 1019Cb -0.29 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1nvw s ARG 1019CO 0.60 -0.26 1.29 -0.80 0.02 0.00 0.00 175.30 176.14 1nvw s ASN 1020N -1.35 5.18 -0.08 0.23 0.01 -1.26 -0.88 114.94 116.79 1nvw s ASN 1020Ca 0.58 2.60 0.10 0.00 -0.71 0.00 0.00 52.86 55.42 1nvw s ASN 1020Cb -0.27 -2.62 0.41 0.00 0.41 0.00 0.00 41.25 39.18 1nvw s ASN 1020CO 0.33 -1.62 1.23 -0.81 -1.51 0.00 0.00 177.10 174.72 1nvw n PRO 1021N -1.32 2.62 -1.71 -0.60 -0.04 -1.26 -5.10 135.00 127.60 1nvw n PRO 1021Ca 0.12 -1.60 -0.43 0.00 -0.04 0.00 0.00 63.50 61.55 1nvw n PRO 1021Cb 0.47 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1nvw n PRO 1021CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nvw n LYS 1022N 0.48 2.50 -1.67 0.54 5.02 -0.06 -4.92 118.16 120.05 1nvw n LYS 1022Ca 0.14 0.89 -0.36 0.00 -2.02 0.00 0.00 58.31 56.97 1nvw n LYS 1022Cb 0.59 -2.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.00 1nvw n LYS 1022CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1nvw s PRO 1023N 0.27 2.44 -0.45 1.97 0.02 -1.26 -4.69 135.00 133.30 1nvw s PRO 1023Ca 0.71 1.99 -0.24 0.00 0.02 0.00 0.00 61.00 63.47 1nvw s PRO 1023Cb -0.56 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.14 1nvw s PRO 1023CO 0.42 -1.66 0.87 -1.17 -0.33 0.00 0.00 177.00 175.12 1nvw s LEU 1024N -4.56 4.10 1.13 -5.54 2.96 -1.26 -4.68 118.68 110.83 1nvw s LEU 1024Ca 0.81 0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 54.61 1nvw s LEU 1024Cb -0.35 -3.11 0.27 0.00 0.50 0.00 0.00 46.19 43.49 1nvw s LEU 1024CO 0.41 -0.97 1.21 -2.16 -1.32 0.00 0.00 176.35 173.52 1nvw s PRO 1025N 3.54 -0.66 0.22 0.98 0.04 -1.26 -5.09 135.00 132.76 1nvw s PRO 1025Ca 0.34 -0.30 0.11 0.00 0.04 0.00 0.00 61.00 61.20 1nvw s PRO 1025Cb -0.11 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 1nvw s PRO 1025CO 0.24 -3.30 -0.21 1.03 0.04 0.00 0.00 177.00 174.80 1nvw s ARG 1026N -5.67 1.53 0.02 4.56 0.52 -1.26 -4.99 118.95 113.65 1nvw s ARG 1026Ca 0.73 -1.60 -0.05 0.00 -0.52 0.00 0.00 55.73 54.29 1nvw s ARG 1026Cb -0.06 -1.68 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 1nvw s ARG 1026CO 0.55 0.34 0.08 -0.06 0.02 0.00 0.00 175.30 176.22 1nvw s PHE 1027N -2.15 0.18 0.55 -0.53 0.40 -1.26 -5.05 117.98 110.12 1nvw s PHE 1027Ca 0.24 -0.42 -0.19 0.00 -0.60 0.00 0.00 56.93 55.96 1nvw s PHE 1027Cb -0.06 -0.13 -0.06 0.00 0.51 0.00 0.00 43.02 43.28 1nvw s PHE 1027CO 0.11 -0.31 1.09 -1.25 0.70 0.00 0.00 175.22 175.57 1nvw s PRO 1028N -2.06 3.40 0.86 0.24 0.04 -1.26 -4.52 135.00 131.69 1nvw s PRO 1028Ca -0.10 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1nvw s PRO 1028Cb -0.05 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.58 1nvw s PRO 1028CO -0.02 -0.78 1.10 0.15 0.04 0.00 0.00 177.00 177.49 1nvw s LYS 1029N -3.47 1.55 0.00 4.56 1.02 -1.26 -4.38 119.74 117.76 1nvw s LYS 1029Ca 0.69 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.89 1nvw s LYS 1029Cb -0.20 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1nvw s LYS 1029CO 0.28 -2.15 0.00 0.36 -0.92 0.00 0.00 175.35 172.92 1nvw n LYS 1030N -3.87 3.39 -3.57 1.68 2.85 -1.26 -5.04 118.16 112.34 1nvw n LYS 1030Ca 0.09 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.98 1nvw n LYS 1030Cb 0.53 -0.46 -0.07 0.00 -0.65 0.00 0.00 35.03 34.39 1nvw n LYS 1030CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1nvw s TYR 1031N -0.74 3.53 -2.18 5.58 2.02 -1.26 -4.96 117.35 119.33 1nvw s TYR 1031Ca 0.00 0.66 0.25 0.00 -0.37 0.00 0.00 57.07 57.61 1nvw s TYR 1031Cb 0.00 -2.28 0.39 0.00 -0.40 0.00 0.00 41.96 39.66 1nvw s TYR 1031CO 0.00 0.37 1.34 -1.13 -1.57 0.00 0.00 175.55 174.57 1nvw n SER 1032N 3.06 1.84 -4.64 2.29 3.41 -1.26 -4.96 113.62 113.35 1nvw n SER 1032Ca -0.13 -1.41 -0.23 0.00 -0.26 0.00 0.00 58.87 56.83 1nvw n SER 1032Cb 0.52 0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.64 1nvw n SER 1032CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1nvw s TYR 1033N -2.34 2.67 0.24 7.33 -0.85 -1.26 -5.08 117.35 118.05 1nvw s TYR 1033Ca 0.24 -0.25 -0.31 0.00 -0.52 0.00 0.00 57.07 56.23 1nvw s TYR 1033Cb 0.19 -1.22 -0.13 0.00 0.38 0.00 0.00 41.96 41.18 1nvw s TYR 1033CO 0.48 0.60 1.50 -0.35 -1.52 0.00 0.00 175.55 176.27 1nvw n PRO 1034N -0.90 2.27 0.00 -3.49 -0.04 -1.26 -4.88 135.00 126.70 1nvw n PRO 1034Ca -0.06 0.81 0.13 0.00 -0.04 0.00 0.00 63.50 64.34 1nvw n PRO 1034Cb 0.59 -2.53 0.37 0.00 -0.04 0.00 0.00 33.50 31.89 1nvw n PRO 1034CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1nvw n LEU 1035N 2.49 0.64 -4.71 1.53 4.77 -1.26 -4.90 117.00 115.55 1nvw n LEU 1035Ca 0.12 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1nvw n LEU 1035Cb 0.33 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1nvw n LEU 1035CO 0.63 0.13 1.28 -0.75 -1.33 0.00 0.00 177.39 177.35 1nvw s LYS 1036N -2.75 4.20 0.39 3.23 2.20 -1.26 -4.96 119.74 120.78 1nvw s LYS 1036Ca 0.18 2.40 -0.24 0.00 -0.36 0.00 0.00 55.97 57.96 1nvw s LYS 1036Cb 0.19 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 1nvw s LYS 1036CO 0.59 -0.66 1.03 0.45 -0.36 0.00 0.00 175.35 176.41 1nvw s SER 1037N 1.42 6.83 0.00 1.43 0.15 -1.26 -4.93 113.70 117.34 1nvw s SER 1037Ca 0.72 1.99 0.31 0.00 0.70 0.00 0.00 55.95 59.66 1nvw s SER 1037Cb -0.44 -2.58 1.63 0.00 -1.71 0.00 0.00 66.02 62.92 1nvw s SER 1037CO 0.32 -0.44 2.10 -0.81 1.20 0.00 0.00 173.24 175.61 1nvw n PRO 1038N -0.05 0.68 0.00 5.44 -0.04 -1.26 -5.02 135.00 134.75 1nvw n PRO 1038Ca 0.05 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1nvw n PRO 1038Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1nvw n PRO 1038CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvw n GLY 1039N 1.18 -1.04 1.77 0.55 0.00 -1.26 -4.74 105.19 101.65 1nvw n GLY 1039Ca 0.18 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 1nvw n GLY 1039CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nvw n VAL 1040N -0.95 2.88 -3.81 1.61 0.24 -1.26 -4.70 118.33 112.33 1nvw n VAL 1040Ca 0.00 -2.03 -0.36 0.00 -2.04 0.00 0.00 64.34 59.91 1nvw n VAL 1040Cb 0.00 -0.38 -0.10 0.00 -1.47 0.00 0.00 33.84 31.89 1nvw n VAL 1040CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1nvw s ARG 1041N -3.15 3.97 0.51 7.34 1.81 -1.26 -4.98 118.95 123.19 1nvw s ARG 1041Ca 0.52 -0.33 -0.20 0.00 -1.72 0.00 0.00 55.73 54.00 1nvw s ARG 1041Cb 0.44 -3.38 -0.07 0.00 -0.45 0.00 0.00 34.95 31.49 1nvw s ARG 1041CO 0.09 0.10 1.11 -1.25 -0.68 0.00 0.00 175.30 174.66 1nvw s PRO 1042N 0.89 3.56 0.16 3.54 0.04 -1.26 -5.06 135.00 136.87 1nvw s PRO 1042Ca 0.06 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1nvw s PRO 1042Cb -0.13 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1nvw s PRO 1042CO 0.03 -0.67 0.35 -1.12 0.04 0.00 0.00 177.00 175.63 1nvw s SER 1043N -1.77 6.39 -0.15 6.66 0.01 -1.26 -5.07 113.70 118.51 1nvw s SER 1043Ca 0.70 0.38 -0.26 0.00 1.31 0.00 0.00 55.95 58.08 1nvw s SER 1043Cb -0.22 -2.00 -0.23 0.00 0.21 0.00 0.00 66.02 63.78 1nvw s SER 1043CO 0.26 0.02 0.61 -1.13 0.41 0.00 0.00 173.24 173.41 1nvw h ASN 1044N 2.30 0.00 -1.96 2.44 -0.00 -2.00 -3.46 115.58 112.90 1nvw h ASN 1044Ca -0.47 -0.84 -0.56 0.00 -0.00 0.00 0.00 56.30 54.43 1nvw h ASN 1044Cb 1.18 0.00 0.22 0.00 -0.00 0.00 0.00 38.32 39.72 1nvw h ASN 1044CO 0.70 1.06 -1.62 -0.81 -0.00 0.00 0.00 177.43 176.76 1nvw n PRO 1045N -4.59 0.00 0.00 6.67 -0.04 -1.26 -4.94 135.00 130.84 1nvw n PRO 1045Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1nvw n PRO 1045Cb 0.49 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1nvw n PRO 1045CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35