#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1a n PRO 626 N 0.00 2.43 -4.32 1.20 -0.02 -1.26 -4.94 135.00 128.09 2j1a n PRO 626 Ca 0.00 0.89 -0.34 0.00 -2.02 0.00 0.00 63.50 62.03 2j1a n PRO 626 Cb 0.00 -2.77 -0.14 0.00 -0.02 0.00 0.00 33.50 30.58 2j1a n PRO 626 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2j1a s ARG 627 N 3.91 3.44 -0.16 -0.52 3.52 -1.26 -4.78 118.95 123.10 2j1a s ARG 627 Ca 0.90 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 2j1a s ARG 627 Cb -0.60 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 2j1a s ARG 627 CO 0.47 0.04 1.13 0.99 -0.81 0.00 0.00 175.30 177.12 2j1a s THR 628 N 0.84 4.50 -0.08 4.11 2.01 -1.26 -1.10 115.64 124.65 2j1a s THR 628 Ca -0.02 1.80 0.21 0.00 0.31 0.00 0.00 61.69 63.99 2j1a s THR 628 Cb -0.15 -4.16 -0.31 0.00 0.01 0.00 0.00 72.50 67.89 2j1a s THR 628 CO 0.01 -0.10 0.35 1.33 -0.69 0.00 0.00 174.62 175.52 2j1a n VAL 629 N 5.07 0.43 -3.73 3.82 0.24 0.70 -4.91 118.33 119.95 2j1a n VAL 629 Ca 0.12 -0.61 -0.13 0.00 -2.04 0.00 0.00 64.34 61.67 2j1a n VAL 629 Cb 0.46 -0.14 -0.09 0.00 -1.47 0.00 0.00 33.84 32.60 2j1a n VAL 629 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2j1a s LYS 630 N -3.20 0.56 -0.04 7.34 2.20 -0.99 -5.03 119.74 120.58 2j1a s LYS 630 Ca -0.09 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.86 2j1a s LYS 630 Cb 0.12 0.26 -0.00 0.00 -1.51 0.00 0.00 37.83 36.70 2j1a s LYS 630 CO 0.88 -0.11 -0.14 -1.50 -0.36 0.00 0.00 175.35 174.12 2j1a s ILE 631 N -0.35 1.20 0.18 5.43 2.07 -1.26 -0.24 121.20 128.23 2j1a s ILE 631 Ca -0.05 -0.59 0.07 0.00 -1.41 0.00 0.00 60.65 58.68 2j1a s ILE 631 Cb -0.03 -1.04 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 2j1a s ILE 631 CO 0.02 0.35 -0.15 0.42 -1.91 0.00 0.00 174.94 173.68 2j1a s THR 632 N 0.10 1.65 0.08 4.00 -4.23 -0.38 -4.69 115.64 112.17 2j1a s THR 632 Ca -0.04 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.35 2j1a s THR 632 Cb -0.10 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 2j1a s THR 632 CO 0.02 -0.55 0.04 0.00 -0.54 0.00 0.00 174.62 173.58 2j1a s ALA 633 N -2.78 0.45 0.32 3.99 0.00 -1.26 -0.78 121.76 121.71 2j1a s ALA 633 Ca 0.19 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.05 2j1a s ALA 633 Cb -0.02 0.47 0.73 0.00 0.00 0.00 0.00 23.12 24.31 2j1a s ALA 633 CO 0.06 -0.43 1.84 0.66 0.00 0.00 0.00 175.76 177.88 2j1a h SER 634 N 2.99 0.76 -5.22 0.00 4.64 -1.60 -3.46 113.55 111.67 2j1a h SER 634 Ca -0.34 0.05 0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2j1a h SER 634 Cb 1.17 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.09 2j1a h SER 634 CO 0.62 0.37 0.41 -0.94 -0.87 0.00 0.00 176.83 176.41 2j1a s SER 635 N -5.67 -0.21 0.09 4.97 1.04 -1.26 -5.01 113.70 107.65 2j1a s SER 635 Ca -0.11 -0.45 -0.20 0.00 0.48 0.00 0.00 55.95 55.68 2j1a s SER 635 Cb 0.23 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.95 2j1a s SER 635 CO 0.80 -1.02 0.47 -1.83 0.98 0.00 0.00 173.24 172.64 2j1a s GLU 636 N -3.47 1.06 -0.22 4.02 -1.05 -1.26 -4.41 118.70 113.37 2j1a s GLU 636 Ca 0.12 -0.44 -0.08 0.00 -0.15 0.00 0.00 54.97 54.41 2j1a s GLU 636 Cb -0.03 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.10 2j1a s GLU 636 CO 0.03 -0.40 0.10 -2.00 0.95 0.00 0.00 175.26 173.94 2j1a s GLU 637 N -3.07 3.90 0.00 -4.83 2.56 -0.26 -4.00 118.70 113.02 2j1a s GLU 637 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.97 54.59 2j1a s GLU 637 Cb 0.00 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.78 2j1a s GLU 637 CO -0.07 0.06 0.38 0.25 -0.56 0.00 0.00 175.26 175.33 2j1a n THR 638 N 4.20 0.07 -0.05 -1.70 -2.24 -1.20 -0.15 114.28 113.21 2j1a n THR 638 Ca -0.16 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 2j1a n THR 638 Cb 0.52 1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 70.00 2j1a n THR 638 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2j1a n SER 639 N -0.04 1.71 0.24 3.42 7.64 -1.26 -4.66 113.62 120.68 2j1a n SER 639 Ca 0.00 0.28 0.11 0.00 1.01 0.00 0.00 58.87 60.27 2j1a n SER 639 Cb 0.39 -0.63 0.60 0.00 -1.01 0.00 0.00 64.21 63.56 2j1a n SER 639 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2j1a h GLY 640 N -0.72 0.00 -1.98 0.23 0.00 -1.97 -3.46 103.07 95.17 2j1a h GLY 640 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 2j1a h GLY 640 CO -0.00 0.00 0.38 -1.83 0.00 0.00 0.00 176.54 175.09 2j1a s GLU 641 N -3.95 1.55 -0.76 4.80 -1.05 -1.26 -5.11 118.70 112.92 2j1a s GLU 641 Ca -0.01 -0.89 -0.17 0.00 -0.15 0.00 0.00 54.97 53.75 2j1a s GLU 641 Cb 0.12 0.50 0.16 0.00 -0.44 0.00 0.00 34.13 34.47 2j1a s GLU 641 CO 0.61 -0.71 0.81 1.21 0.95 0.00 0.00 175.26 178.13 2j1a s ASN 642 N -3.00 6.51 -0.39 0.83 2.47 -1.26 -3.24 114.94 116.86 2j1a s ASN 642 Ca 0.13 -2.09 0.12 0.00 0.42 0.00 0.00 52.86 51.45 2j1a s ASN 642 Cb -0.04 -2.28 0.41 0.00 -1.45 0.00 0.00 41.25 37.89 2j1a s ASN 642 CO 0.05 -0.88 0.92 0.00 -3.72 0.00 0.00 177.10 173.48 2j1a n ALA 643 N 5.40 3.51 -1.14 1.71 0.00 0.79 -4.87 120.51 125.91 2j1a n ALA 643 Ca 0.07 -3.61 -0.30 0.00 0.00 0.00 0.00 53.44 49.60 2j1a n ALA 643 Cb 0.45 -0.84 0.13 0.00 0.00 0.00 0.00 19.45 19.20 2j1a n ALA 643 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2j1a s PRO 644 N -3.06 1.50 0.41 0.00 0.04 -1.22 -1.55 135.00 131.10 2j1a s PRO 644 Ca 0.37 1.03 0.13 0.00 0.04 0.00 0.00 61.00 62.57 2j1a s PRO 644 Cb 0.40 -1.82 0.98 0.00 0.04 0.00 0.00 34.50 34.10 2j1a s PRO 644 CO -0.06 -2.13 1.91 0.00 0.04 0.00 0.00 177.00 176.76 2j1a h ALA 645 N -1.48 2.02 0.00 8.56 0.00 -1.89 -0.79 119.26 125.68 2j1a h ALA 645 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2j1a h ALA 645 Cb 1.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2j1a h ALA 645 CO 0.52 -0.23 -0.01 0.66 0.00 0.00 0.00 179.25 180.19 2j1a h SER 646 N 0.50 0.00 0.59 0.00 4.64 -1.91 -0.15 113.55 117.22 2j1a h SER 646 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2j1a h SER 646 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2j1a h SER 646 CO -0.14 0.01 0.00 -0.26 -0.87 0.00 0.00 176.83 175.57 2j1a h PHE 647 N 0.00 0.00 -0.00 4.77 -1.00 -1.44 -1.78 116.94 117.49 2j1a h PHE 647 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2j1a h PHE 647 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2j1a h PHE 647 CO 0.00 0.00 -0.01 0.00 -1.61 0.00 0.00 178.31 176.69 2j1a n ALA 648 N -1.85 2.59 -2.10 2.45 0.00 -0.07 -4.05 120.51 117.49 2j1a n ALA 648 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.30 2j1a n ALA 648 Cb 0.19 -1.49 0.05 0.00 0.00 0.00 0.00 19.45 18.21 2j1a n ALA 648 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2j1a n SER 649 N -1.12 0.92 -1.18 0.00 2.88 -0.68 -0.45 113.62 113.99 2j1a n SER 649 Ca 0.18 -2.36 0.09 0.00 -1.33 0.00 0.00 58.87 55.45 2j1a n SER 649 Cb 0.19 -0.31 0.28 0.00 -0.75 0.00 0.00 64.21 63.62 2j1a n SER 649 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2j1a n ASP 650 N -0.05 3.94 0.00 -3.46 3.85 -1.19 -4.96 116.55 114.68 2j1a n ASP 650 Ca 0.07 -2.26 0.00 0.00 -0.71 0.00 0.00 54.79 51.89 2j1a n ASP 650 Cb 0.91 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 40.23 2j1a n ASP 650 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2j1a n GLY 651 N 0.91 0.08 3.24 6.12 0.00 -1.26 -4.96 105.19 109.32 2j1a n GLY 651 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2j1a n GLY 651 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j1a s ASP 652 N -2.01 4.62 0.26 1.61 -1.08 -1.26 -4.99 116.67 113.82 2j1a s ASP 652 Ca 0.00 -0.87 0.22 0.00 -0.52 0.00 0.00 52.55 51.38 2j1a s ASP 652 Cb 0.00 -1.73 1.00 0.00 -1.46 0.00 0.00 42.92 40.72 2j1a s ASP 652 CO 0.00 -0.16 1.67 0.23 0.52 0.00 0.00 175.17 177.43 2j1a n MET 653 N 4.72 0.17 0.00 4.34 2.81 -1.26 -2.67 117.12 125.23 2j1a n MET 653 Ca -0.15 0.48 0.14 0.00 -1.81 0.00 0.00 57.70 56.35 2j1a n MET 653 Cb 0.47 -1.88 0.52 0.00 -0.71 0.00 0.00 33.22 31.63 2j1a n MET 653 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2j1a n ASN 654 N -2.20 0.95 -4.31 7.83 3.02 -1.26 -4.64 115.26 114.65 2j1a n ASN 654 Ca 0.01 -1.00 -0.32 0.00 -0.03 0.00 0.00 54.58 53.25 2j1a n ASN 654 Cb 0.17 0.03 -0.16 0.00 -0.61 0.00 0.00 39.78 39.21 2j1a n ASN 654 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2j1a s THR 655 N -2.31 2.24 0.05 3.41 -4.23 -1.09 -5.08 115.64 108.63 2j1a s THR 655 Ca 0.31 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 2j1a s THR 655 Cb 0.20 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 2j1a s THR 655 CO 0.44 0.57 -0.11 0.72 -0.54 0.00 0.00 174.62 175.71 2j1a s PHE 656 N -0.31 0.92 0.29 3.99 -0.12 -1.26 -4.46 117.98 117.03 2j1a s PHE 656 Ca 0.01 -0.48 -0.28 0.00 -0.05 0.00 0.00 56.93 56.13 2j1a s PHE 656 Cb -0.13 -0.53 -0.09 0.00 -0.63 0.00 0.00 43.02 41.64 2j1a s PHE 656 CO 0.02 -0.02 1.00 -0.46 -0.05 0.00 0.00 175.22 175.72 2j1a s TRP 657 N -1.33 3.71 -0.04 3.49 -0.00 -0.13 -4.40 118.94 120.24 2j1a s TRP 657 Ca -0.06 1.79 0.02 0.00 -0.00 0.00 0.00 56.10 57.84 2j1a s TRP 657 Cb -0.10 -3.08 0.01 0.00 -0.00 0.00 0.00 33.47 30.30 2j1a s TRP 657 CO 0.01 -0.04 -0.07 -1.58 -0.00 0.00 0.00 176.95 175.27 2j1a s HIS 658 N -1.34 0.90 0.66 5.86 5.65 -0.60 -2.12 115.29 124.31 2j1a s HIS 658 Ca 0.46 -0.25 -0.17 0.00 0.25 0.00 0.00 55.06 55.35 2j1a s HIS 658 Cb -0.26 -0.70 -0.08 0.00 -1.18 0.00 0.00 32.58 30.36 2j1a s HIS 658 CO 0.32 -0.15 0.29 -1.13 -0.65 0.00 0.00 174.74 173.42 2j1a n SER 659 N 3.64 -2.03 -4.65 9.88 3.41 0.17 -1.10 113.62 122.94 2j1a n SER 659 Ca -0.22 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.58 2j1a n SER 659 Cb 0.53 -1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 2j1a n SER 659 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2j1a s LYS 660 N -2.16 4.06 -0.05 4.33 2.20 -1.26 -4.20 119.74 122.66 2j1a s LYS 660 Ca 0.63 2.09 0.12 0.00 -0.36 0.00 0.00 55.97 58.45 2j1a s LYS 660 Cb -0.39 -4.02 -0.18 0.00 -1.51 0.00 0.00 37.83 31.73 2j1a s LYS 660 CO 0.61 -0.99 0.20 -2.67 -0.36 0.00 0.00 175.35 172.13 2j1a n TRP 661 N 7.59 0.00 -2.12 4.03 4.27 -1.26 -0.37 117.44 129.58 2j1a n TRP 661 Ca 0.18 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.41 2j1a n TRP 661 Cb 0.43 -0.40 -0.00 0.00 -1.36 0.00 0.00 31.31 29.98 2j1a n TRP 661 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2j1a s SER 662 N -3.83 6.12 0.21 -0.67 1.04 -1.26 -4.34 113.70 110.96 2j1a s SER 662 Ca -0.05 2.50 -0.31 0.00 0.48 0.00 0.00 55.95 58.57 2j1a s SER 662 Cb 0.07 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 2j1a s SER 662 CO 0.52 -0.97 1.54 -0.55 0.98 0.00 0.00 173.24 174.76 2j1a s SER 663 N -1.05 6.57 -0.28 7.02 0.15 -1.26 -2.17 113.70 122.68 2j1a s SER 663 Ca 0.62 2.68 -0.28 0.00 0.70 0.00 0.00 55.95 59.67 2j1a s SER 663 Cb -0.34 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.37 2j1a s SER 663 CO 0.42 -0.80 1.00 -2.16 1.20 0.00 0.00 173.24 172.90 2j1a s PRO 664 N 0.50 4.13 0.45 5.44 0.04 -1.26 -5.13 135.00 139.17 2j1a s PRO 664 Ca 0.66 1.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 2j1a s PRO 664 Cb -0.44 -3.69 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 2j1a s PRO 664 CO 0.37 -0.74 1.29 0.00 0.04 0.00 0.00 177.00 177.95 2j1a s ALA 665 N 3.32 3.08 -0.39 8.56 0.00 -0.92 -4.89 121.76 130.52 2j1a s ALA 665 Ca 0.42 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.41 2j1a s ALA 665 Cb -0.14 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.51 2j1a s ALA 665 CO 0.11 -0.92 0.38 -1.58 0.00 0.00 0.00 175.76 173.75 2j1a s HIS 666 N -1.34 3.20 -1.89 0.00 2.46 0.50 -4.95 115.29 113.27 2j1a s HIS 666 Ca 0.62 -0.29 0.21 0.00 0.47 0.00 0.00 55.06 56.07 2j1a s HIS 666 Cb -0.36 -2.75 0.63 0.00 -0.13 0.00 0.00 32.58 29.96 2j1a s HIS 666 CO 0.45 -0.58 1.52 0.39 -2.47 0.00 0.00 174.74 174.06 2j1a n GLU 667 N 5.44 2.75 0.00 2.88 1.02 -1.26 -4.48 120.64 126.98 2j1a n GLU 667 Ca -0.09 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 2j1a n GLU 667 Cb 0.48 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2j1a n GLU 667 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2j1a n GLY 668 N 1.55 1.57 3.77 0.62 0.00 -1.26 -4.53 105.19 106.90 2j1a n GLY 668 Ca 0.24 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 2j1a n GLY 668 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j1a s PRO 669 N -1.47 4.45 0.05 1.61 0.04 -1.26 -5.15 135.00 133.28 2j1a s PRO 669 Ca 0.00 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 2j1a s PRO 669 Cb 0.00 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 2j1a s PRO 669 CO 0.00 -0.04 0.51 -1.01 0.04 0.00 0.00 177.00 176.50 2j1a s HIS 670 N -1.16 3.76 0.17 0.56 3.76 -1.26 -4.82 115.29 116.30 2j1a s HIS 670 Ca 0.47 1.15 -0.18 0.00 -0.15 0.00 0.00 55.06 56.35 2j1a s HIS 670 Cb -0.36 -2.41 0.04 0.00 1.11 0.00 0.00 32.58 30.96 2j1a s HIS 670 CO 0.48 0.59 0.52 -3.38 -0.85 0.00 0.00 174.74 172.10 2j1a s HIS 671 N -1.14 -0.23 -0.04 1.40 -3.43 -1.26 -1.25 115.29 109.35 2j1a s HIS 671 Ca 0.28 -0.09 0.01 0.00 -0.80 0.00 0.00 55.06 54.47 2j1a s HIS 671 Cb -0.18 0.40 0.02 0.00 -1.43 0.00 0.00 32.58 31.39 2j1a s HIS 671 CO 0.17 -0.86 -0.05 -1.17 -2.00 0.00 0.00 174.74 170.83 2j1a s LEU 672 N -2.83 1.47 -0.14 5.38 2.96 -0.67 -1.55 118.68 123.28 2j1a s LEU 672 Ca 0.06 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2j1a s LEU 672 Cb -0.00 -0.45 0.02 0.00 0.50 0.00 0.00 46.19 46.26 2j1a s LEU 672 CO -0.07 -0.02 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.88 2j1a s THR 673 N 0.70 1.74 -0.24 3.68 2.01 0.04 -0.46 115.64 123.12 2j1a s THR 673 Ca -0.10 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 2j1a s THR 673 Cb -0.13 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2j1a s THR 673 CO 0.00 0.49 0.29 -0.76 -0.69 0.00 0.00 174.62 173.95 2j1a s LEU 674 N 1.21 4.09 -0.30 4.42 1.02 -0.11 -1.25 118.68 127.76 2j1a s LEU 674 Ca 0.00 0.26 -0.15 0.00 0.02 0.00 0.00 54.13 54.26 2j1a s LEU 674 Cb -0.14 -2.31 -0.02 0.00 0.02 0.00 0.00 46.19 43.74 2j1a s LEU 674 CO -0.08 -0.06 0.39 -0.70 0.02 0.00 0.00 176.35 175.93 2j1a s GLU 675 N 1.50 3.82 0.51 1.70 2.12 0.67 -0.94 118.70 128.09 2j1a s GLU 675 Ca 0.13 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.29 2j1a s GLU 675 Cb -0.15 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 2j1a s GLU 675 CO 0.08 -0.41 0.81 -0.51 -0.54 0.00 0.00 175.26 174.69 2j1a s LEU 676 N 2.11 3.51 0.00 2.70 1.43 0.46 -0.21 118.68 128.68 2j1a s LEU 676 Ca 0.15 0.82 0.30 0.00 -1.03 0.00 0.00 54.13 54.37 2j1a s LEU 676 Cb -0.16 -3.74 1.70 0.00 0.03 0.00 0.00 46.19 44.02 2j1a s LEU 676 CO 0.11 -0.73 2.11 -0.90 0.23 0.00 0.00 176.35 177.17 2j1a n ASP 677 N -2.34 0.00 -3.33 2.29 5.75 -0.26 -4.71 116.55 113.94 2j1a n ASP 677 Ca 0.02 -0.63 -0.06 0.00 -0.01 0.00 0.00 54.79 54.11 2j1a n ASP 677 Cb 0.56 -0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.55 2j1a n ASP 677 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2j1a s ASN 678 N -2.23 -0.06 -0.01 -1.12 3.84 -1.26 -5.11 114.94 108.99 2j1a s ASN 678 Ca 0.39 -0.80 -0.30 0.00 0.21 0.00 0.00 52.86 52.36 2j1a s ASN 678 Cb 0.21 0.66 -0.03 0.00 -0.55 0.00 0.00 41.25 41.54 2j1a s ASN 678 CO 0.39 -1.29 1.03 -0.69 -2.79 0.00 0.00 177.10 173.75 2j1a s VAL 679 N -2.64 4.68 0.07 -5.21 1.01 -1.26 -4.44 120.40 112.61 2j1a s VAL 679 Ca 0.16 1.93 0.07 0.00 0.00 0.00 0.00 61.98 64.15 2j1a s VAL 679 Cb -0.04 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2j1a s VAL 679 CO 0.07 0.12 -0.20 -0.31 0.00 0.00 0.00 175.10 174.78 2j1a s TYR 680 N 1.25 1.75 -0.21 5.22 2.02 -0.28 -4.93 117.35 122.17 2j1a s TYR 680 Ca 0.53 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.55 2j1a s TYR 680 Cb -0.22 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.34 2j1a s TYR 680 CO 0.26 0.14 1.02 -2.00 -1.57 0.00 0.00 175.55 173.40 2j1a s GLU 681 N -1.49 4.28 0.08 -0.62 2.12 -1.26 -0.68 118.70 121.13 2j1a s GLU 681 Ca 0.06 1.33 0.08 0.00 0.36 0.00 0.00 54.97 56.80 2j1a s GLU 681 Cb -0.09 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 2j1a s GLU 681 CO 0.03 -0.58 -0.21 0.96 -0.54 0.00 0.00 175.26 174.93 2j1a s ILE 682 N 3.00 1.68 0.00 -3.70 -4.36 0.39 -4.24 121.20 113.97 2j1a s ILE 682 Ca 0.44 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 2j1a s ILE 682 Cb -0.15 -1.50 0.00 0.00 1.25 0.00 0.00 42.46 42.05 2j1a s ILE 682 CO 0.08 0.03 0.42 -0.46 0.24 0.00 0.00 174.94 175.24 2j1a n ASN 683 N 1.37 0.22 -3.68 4.36 0.23 -0.21 -1.62 115.26 115.93 2j1a n ASN 683 Ca -0.19 -1.09 -0.14 0.00 -0.53 0.00 0.00 54.58 52.63 2j1a n ASN 683 Cb 0.53 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.15 2j1a n ASN 683 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2j1a s LYS 684 N -0.09 0.66 -0.08 -3.83 2.20 -1.05 -1.65 119.74 115.90 2j1a s LYS 684 Ca 0.00 0.71 0.04 0.00 -0.36 0.00 0.00 55.97 56.36 2j1a s LYS 684 Cb 0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2j1a s LYS 684 CO 0.00 -0.09 -0.20 0.08 -0.36 0.00 0.00 175.35 174.78 2j1a s VAL 685 N 0.18 2.47 -0.22 4.02 1.01 0.17 -1.33 120.40 126.70 2j1a s VAL 685 Ca -0.01 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2j1a s VAL 685 Cb -0.04 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 2j1a s VAL 685 CO 0.01 0.56 0.18 -0.75 0.00 0.00 0.00 175.10 175.10 2j1a s LYS 686 N -0.07 4.14 -0.27 2.72 2.20 0.10 -0.93 119.74 127.62 2j1a s LYS 686 Ca -0.05 -0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 2j1a s LYS 686 Cb -0.14 -3.49 0.07 0.00 -1.51 0.00 0.00 37.83 32.76 2j1a s LYS 686 CO 0.04 0.16 -0.06 -0.47 -0.36 0.00 0.00 175.35 174.66 2j1a s TYR 687 N 0.77 3.13 -0.36 4.03 6.14 0.58 -2.42 117.35 129.23 2j1a s TYR 687 Ca 0.09 -2.32 -0.14 0.00 0.64 0.00 0.00 57.07 55.35 2j1a s TYR 687 Cb -0.13 -2.04 -0.01 0.00 0.42 0.00 0.00 41.96 40.21 2j1a s TYR 687 CO 0.02 -0.87 0.28 0.00 0.64 0.00 0.00 175.55 175.62 2j1a s ALA 688 N 1.14 3.50 0.80 3.97 0.00 -0.06 -0.21 121.76 130.89 2j1a s ALA 688 Ca -0.04 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 2j1a s ALA 688 Cb -0.19 -2.76 0.08 0.00 0.00 0.00 0.00 23.12 20.24 2j1a s ALA 688 CO -0.06 -1.14 1.13 -2.14 0.00 0.00 0.00 175.76 173.55 2j1a s PRO 689 N 1.75 1.90 0.52 0.00 0.02 -1.26 -0.50 135.00 137.43 2j1a s PRO 689 Ca 0.07 1.42 -0.23 0.00 0.02 0.00 0.00 61.00 62.28 2j1a s PRO 689 Cb -0.18 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 2j1a s PRO 689 CO 0.11 -1.95 1.37 2.89 -0.33 0.00 0.00 177.00 179.08 2j1a n ARG 690 N -3.48 1.84 0.01 5.54 1.85 -1.26 -4.23 116.66 116.93 2j1a n ARG 690 Ca 0.11 0.67 0.11 0.00 -1.00 0.00 0.00 57.85 57.73 2j1a n ARG 690 Cb 0.52 -2.57 -0.07 0.00 -1.05 0.00 0.00 32.46 29.29 2j1a n ARG 690 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2j1a n GLN 691 N -0.73 0.27 -0.00 2.89 1.13 -1.26 -4.36 117.38 115.31 2j1a n GLN 691 Ca 0.09 -0.05 0.10 0.00 -1.94 0.00 0.00 57.00 55.20 2j1a n GLN 691 Cb 0.43 -1.54 -0.11 0.00 0.11 0.00 0.00 30.24 29.13 2j1a n GLN 691 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2j1a n ASP 692 N -1.86 0.94 -3.48 1.08 5.75 -1.26 -5.01 116.55 112.71 2j1a n ASP 692 Ca 0.01 -0.93 -0.14 0.00 -0.01 0.00 0.00 54.79 53.72 2j1a n ASP 692 Cb 0.43 1.03 -0.04 0.00 -1.03 0.00 0.00 41.12 41.50 2j1a n ASP 692 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2j1a s SER 693 N -3.07 -0.58 0.00 -1.12 0.15 -1.26 -5.04 113.70 102.78 2j1a s SER 693 Ca 0.07 0.35 0.28 0.00 0.70 0.00 0.00 55.95 57.36 2j1a s SER 693 Cb 0.16 0.53 1.06 0.00 -1.71 0.00 0.00 66.02 66.06 2j1a s SER 693 CO 0.87 -0.73 1.75 2.29 1.20 0.00 0.00 173.24 178.62 2j1a n LYS 694 N 0.29 1.34 -1.65 5.44 2.85 -1.26 -4.70 118.16 120.48 2j1a n LYS 694 Ca -0.17 -0.72 -0.44 0.00 -1.05 0.00 0.00 58.31 55.94 2j1a n LYS 694 Cb 0.61 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 2j1a n LYS 694 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2j1a n ASN 695 N -0.20 3.89 0.00 -5.58 5.03 -1.26 -1.30 115.26 115.84 2j1a n ASN 695 Ca 0.17 0.82 0.00 0.00 0.87 0.00 0.00 54.58 56.44 2j1a n ASN 695 Cb 0.33 -1.50 0.00 0.00 -1.02 0.00 0.00 39.78 37.59 2j1a n ASN 695 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j1a n GLY 696 N 4.72 0.84 3.69 7.41 0.00 -0.08 -4.41 105.19 117.35 2j1a n GLY 696 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2j1a n GLY 696 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2j1a n ARG 697 N -2.17 2.81 -2.61 1.61 0.63 -0.42 -1.04 116.66 115.46 2j1a n ARG 697 Ca 0.00 1.02 -0.42 0.00 -0.92 0.00 0.00 57.85 57.53 2j1a n ARG 697 Cb 0.00 -2.93 -0.03 0.00 0.45 0.00 0.00 32.46 29.96 2j1a n ARG 697 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2j1a s ILE 698 N 3.00 4.60 -0.05 5.15 1.01 -1.26 -1.71 121.20 131.94 2j1a s ILE 698 Ca 0.83 1.87 0.00 0.00 0.00 0.00 0.00 60.65 63.36 2j1a s ILE 698 Cb -0.48 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 37.79 2j1a s ILE 698 CO 0.38 0.06 0.31 0.35 0.00 0.00 0.00 174.94 176.04 2j1a n THR 699 N 4.31 0.00 -3.70 2.92 -2.24 -0.44 -4.64 114.28 110.49 2j1a n THR 699 Ca 0.09 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2j1a n THR 699 Cb 0.48 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 2j1a n THR 699 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j1a s GLY 700 N -0.46 -0.29 0.11 3.38 0.00 -1.00 -1.05 107.32 108.01 2j1a s GLY 700 Ca 0.00 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.07 2j1a s GLY 700 CO 0.01 1.64 0.19 -2.52 0.00 0.00 0.00 173.10 172.42 2j1a s TYR 701 N 1.45 0.30 -0.02 1.90 1.13 -0.60 -0.58 117.35 120.93 2j1a s TYR 701 Ca -0.09 -0.72 0.03 0.00 -1.41 0.00 0.00 57.07 54.88 2j1a s TYR 701 Cb -0.09 -0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.65 2j1a s TYR 701 CO -0.12 -0.58 -0.12 0.21 -2.51 0.00 0.00 175.55 172.43 2j1a s LYS 702 N -3.91 1.12 -0.12 -3.49 2.20 0.26 -2.34 119.74 113.46 2j1a s LYS 702 Ca 0.10 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 2j1a s LYS 702 Cb 0.05 -1.04 -0.02 0.00 -1.51 0.00 0.00 37.83 35.31 2j1a s LYS 702 CO -0.07 0.20 -0.10 0.08 -0.36 0.00 0.00 175.35 175.10 2j1a s VAL 703 N -0.04 3.38 0.04 4.02 1.01 0.43 -0.34 120.40 128.90 2j1a s VAL 703 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2j1a s VAL 703 Cb -0.07 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2j1a s VAL 703 CO 0.00 0.53 -0.08 -0.44 0.00 0.00 0.00 175.10 175.11 2j1a s SER 704 N 0.09 0.91 0.22 3.32 0.01 -0.49 -0.46 113.70 117.30 2j1a s SER 704 Ca -0.04 -0.52 0.11 0.00 1.31 0.00 0.00 55.95 56.81 2j1a s SER 704 Cb -0.14 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2j1a s SER 704 CO 0.04 -0.17 -0.20 0.68 0.41 0.00 0.00 173.24 173.99 2j1a s VAL 705 N -1.27 2.21 0.01 3.43 -7.23 -0.06 -0.50 120.40 116.99 2j1a s VAL 705 Ca -0.08 -2.15 -0.11 0.00 -1.81 0.00 0.00 61.98 57.83 2j1a s VAL 705 Cb -0.09 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2j1a s VAL 705 CO 0.01 -0.31 0.22 -0.55 -0.31 0.00 0.00 175.10 174.15 2j1a s SER 706 N -3.02 -0.04 -0.00 4.85 0.15 -0.43 -0.48 113.70 114.72 2j1a s SER 706 Ca 0.23 -0.17 0.18 0.00 0.70 0.00 0.00 55.95 56.89 2j1a s SER 706 Cb -0.06 0.27 -0.19 0.00 -1.71 0.00 0.00 66.02 64.34 2j1a s SER 706 CO 0.11 -0.47 0.62 0.18 1.20 0.00 0.00 173.24 174.88 2j1a n LEU 707 N 1.11 0.56 -0.00 3.45 4.77 -1.26 -0.98 117.00 124.65 2j1a n LEU 707 Ca -0.21 0.24 0.05 0.00 -0.03 0.00 0.00 56.01 56.06 2j1a n LEU 707 Cb 0.57 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 2j1a n LEU 707 CO 0.22 0.19 -0.21 -0.90 -1.33 0.00 0.00 177.39 175.35 2j1a n ASP 708 N -2.76 1.20 0.00 -1.43 3.85 -1.26 -4.72 116.55 111.42 2j1a n ASP 708 Ca -0.13 -0.49 0.00 0.00 -0.71 0.00 0.00 54.79 53.46 2j1a n ASP 708 Cb 0.86 1.14 0.00 0.00 -1.35 0.00 0.00 41.12 41.77 2j1a n ASP 708 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2j1a n GLY 709 N 1.46 0.81 0.39 6.12 0.00 -1.26 -4.87 105.19 107.84 2j1a n GLY 709 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2j1a n GLY 709 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2j1a n GLU 710 N -2.00 0.00 -3.30 1.61 -0.58 -1.26 -4.99 120.64 110.12 2j1a n GLU 710 Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 2j1a n GLU 710 Cb 0.00 -0.78 -0.08 0.00 -0.57 0.00 0.00 31.44 30.01 2j1a n GLU 710 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2j1a s ASN 711 N -4.34 6.18 0.13 1.62 0.01 -1.26 -5.05 114.94 112.23 2j1a s ASN 711 Ca 0.00 -0.93 0.04 0.00 -0.71 0.00 0.00 52.86 51.26 2j1a s ASN 711 Cb 0.00 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2j1a s ASN 711 CO 0.00 -0.67 0.12 -0.36 -1.51 0.00 0.00 177.10 174.67 2j1a s PHE 712 N 2.10 3.18 -0.12 2.20 0.08 -1.26 -4.36 117.98 119.81 2j1a s PHE 712 Ca 0.10 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.20 2j1a s PHE 712 Cb -0.20 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2j1a s PHE 712 CO 0.11 0.52 -0.15 0.99 -0.10 0.00 0.00 175.22 176.59 2j1a s THR 713 N -1.59 1.55 0.28 0.64 2.01 0.37 -4.92 115.64 113.98 2j1a s THR 713 Ca 0.30 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 2j1a s THR 713 Cb -0.11 -1.43 -0.10 0.00 0.01 0.00 0.00 72.50 70.87 2j1a s THR 713 CO 0.23 0.45 1.39 -0.70 -0.69 0.00 0.00 174.62 175.30 2j1a s GLU 714 N 1.13 4.29 0.00 4.92 2.12 -1.26 -0.88 118.70 129.02 2j1a s GLU 714 Ca -0.03 2.28 0.00 0.00 0.36 0.00 0.00 54.97 57.57 2j1a s GLU 714 Cb -0.14 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2j1a s GLU 714 CO -0.04 -0.34 0.00 1.33 -0.54 0.00 0.00 175.26 175.67 2j1a n VAL 715 N 1.73 0.00 -3.64 3.70 0.24 0.39 -4.91 118.33 115.84 2j1a n VAL 715 Ca 0.04 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.34 62.14 2j1a n VAL 715 Cb 0.41 0.57 -0.07 0.00 -1.47 0.00 0.00 33.84 33.28 2j1a n VAL 715 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2j1a s LYS 716 N -1.68 0.68 -0.00 7.34 2.47 -1.08 -4.87 119.74 122.59 2j1a s LYS 716 Ca 0.00 0.88 0.02 0.00 -1.56 0.00 0.00 55.97 55.31 2j1a s LYS 716 Cb 0.00 0.29 -0.01 0.00 -1.46 0.00 0.00 37.83 36.66 2j1a s LYS 716 CO 0.00 -0.09 -0.07 0.99 0.16 0.00 0.00 175.35 176.34 2j1a s THR 717 N 0.59 0.56 0.01 3.43 2.01 -1.26 -0.43 115.64 120.54 2j1a s THR 717 Ca -0.01 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 2j1a s THR 717 Cb -0.05 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 71.99 2j1a s THR 717 CO -0.06 0.14 0.07 0.61 -0.69 0.00 0.00 174.62 174.70 2j1a n GLY 718 N 2.86 0.95 3.54 4.40 0.00 -0.99 -5.03 105.19 110.93 2j1a n GLY 718 Ca -0.13 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 2j1a n GLY 718 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j1a s THR 719 N -2.35 2.63 0.02 2.61 -4.23 -1.26 -1.56 115.64 111.50 2j1a s THR 719 Ca 0.02 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.34 2j1a s THR 719 Cb -0.00 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 2j1a s THR 719 CO 0.00 -0.33 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.86 2j1a s LEU 720 N -3.59 2.13 0.49 4.79 1.43 -0.22 -4.92 118.68 118.79 2j1a s LEU 720 Ca 0.31 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2j1a s LEU 720 Cb -0.03 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.55 2j1a s LEU 720 CO 0.17 0.05 1.36 -1.61 0.23 0.00 0.00 176.35 176.55 2j1a s GLU 721 N -0.89 3.49 -1.34 1.70 2.02 -1.26 -4.56 118.70 117.85 2j1a s GLU 721 Ca 0.02 2.24 -0.15 0.00 0.02 0.00 0.00 54.97 57.10 2j1a s GLU 721 Cb -0.07 -2.47 0.08 0.00 0.10 0.00 0.00 34.13 31.77 2j1a s GLU 721 CO 0.01 -0.91 1.88 -3.47 0.02 0.00 0.00 175.26 172.79 2j1a n ASP 722 N -0.55 4.63 -3.80 -0.19 2.03 -1.26 -4.87 116.55 112.53 2j1a n ASP 722 Ca 0.07 -2.92 -0.11 0.00 0.52 0.00 0.00 54.79 52.35 2j1a n ASP 722 Cb 0.44 -1.67 -0.06 0.00 -0.72 0.00 0.00 41.12 39.11 2j1a n ASP 722 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2j1a s ASN 723 N 3.36 0.26 0.00 1.67 2.20 -1.26 -5.06 114.94 116.11 2j1a s ASN 723 Ca 0.49 -1.19 0.20 0.00 -0.94 0.00 0.00 52.86 51.42 2j1a s ASN 723 Cb 0.07 0.57 1.03 0.00 -2.00 0.00 0.00 41.25 40.93 2j1a s ASN 723 CO 0.00 -1.14 1.69 0.00 -2.94 0.00 0.00 177.10 174.72 2j1a n ALA 724 N -0.42 2.59 -1.77 3.54 0.00 -1.26 -4.93 120.51 118.26 2j1a n ALA 724 Ca -0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.82 2j1a n ALA 724 Cb 0.63 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 2j1a n ALA 724 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j1a s ALA 725 N -1.94 2.99 0.22 0.00 0.00 -1.26 -4.49 121.76 117.28 2j1a s ALA 725 Ca 0.30 0.99 -0.32 0.00 0.00 0.00 0.00 51.96 52.93 2j1a s ALA 725 Cb 0.15 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 2j1a s ALA 725 CO 0.24 -0.72 1.60 -0.89 0.00 0.00 0.00 175.76 175.99 2j1a n ILE 726 N -0.44 0.41 -4.14 0.00 5.41 -1.26 -4.48 119.36 114.87 2j1a n ILE 726 Ca 0.07 -0.10 -0.34 0.00 1.00 0.00 0.00 62.75 63.38 2j1a n ILE 726 Cb 0.47 -1.77 -0.07 0.00 -0.71 0.00 0.00 39.64 37.56 2j1a n ILE 726 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2j1a s LYS 727 N 0.42 3.09 -0.24 0.38 -0.14 0.70 -4.98 119.74 118.97 2j1a s LYS 727 Ca 0.72 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.92 2j1a s LYS 727 Cb -0.58 -2.88 0.06 0.00 -1.68 0.00 0.00 37.83 32.75 2j1a s LYS 727 CO 0.41 0.68 -0.07 -0.06 -0.76 0.00 0.00 175.35 175.54 2j1a s PHE 728 N -1.10 2.70 -0.31 3.18 0.08 -1.26 -0.30 117.98 120.96 2j1a s PHE 728 Ca 0.20 -1.96 -0.17 0.00 0.12 0.00 0.00 56.93 55.12 2j1a s PHE 728 Cb -0.12 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2j1a s PHE 728 CO 0.10 -0.81 0.44 0.42 -0.10 0.00 0.00 175.22 175.27 2j1a s ILE 729 N 1.29 5.10 -0.03 0.64 1.01 -0.11 -4.95 121.20 124.16 2j1a s ILE 729 Ca -0.07 0.45 0.06 0.00 0.00 0.00 0.00 60.65 61.09 2j1a s ILE 729 Cb -0.19 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2j1a s ILE 729 CO -0.06 -0.03 -0.19 -1.61 0.00 0.00 0.00 174.94 173.06 2j1a s GLU 730 N 2.21 2.31 0.19 2.79 2.02 -1.26 -0.66 118.70 126.30 2j1a s GLU 730 Ca 0.17 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.20 2j1a s GLU 730 Cb -0.16 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2j1a s GLU 730 CO 0.11 0.59 0.44 -0.59 0.02 0.00 0.00 175.26 175.84 2j1a s PHE 731 N -0.72 0.09 0.33 1.61 -0.12 -0.66 -5.00 117.98 113.51 2j1a s PHE 731 Ca 0.11 -0.44 -0.28 0.00 -0.05 0.00 0.00 56.93 56.27 2j1a s PHE 731 Cb -0.10 0.23 -0.13 0.00 -0.63 0.00 0.00 43.02 42.39 2j1a s PHE 731 CO 0.01 -0.86 1.22 -0.25 -0.05 0.00 0.00 175.22 175.29 2j1a n ASP 732 N -0.30 2.40 -4.56 1.98 10.43 -1.26 -4.56 116.55 120.69 2j1a n ASP 732 Ca -0.08 1.20 -0.48 0.00 2.57 0.00 0.00 54.79 57.99 2j1a n ASP 732 Cb 0.62 -1.44 -0.04 0.00 1.84 0.00 0.00 41.12 42.11 2j1a n ASP 732 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2j1a n SER 733 N 0.85 0.97 -3.67 -2.24 7.64 -1.26 -4.74 113.62 111.17 2j1a n SER 733 Ca 0.06 1.15 -0.14 0.00 1.01 0.00 0.00 58.87 60.95 2j1a n SER 733 Cb 0.35 -1.19 -0.08 0.00 -1.01 0.00 0.00 64.21 62.28 2j1a n SER 733 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2j1a s VAL 734 N -0.46 0.00 0.31 0.44 0.11 -0.64 -4.93 120.40 115.23 2j1a s VAL 734 Ca 0.70 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.44 2j1a s VAL 734 Cb -0.85 -0.82 -0.10 0.00 -1.53 0.00 0.00 36.38 33.09 2j1a s VAL 734 CO 0.55 -0.01 1.13 -1.81 -3.33 0.00 0.00 175.10 171.62 2j1a s ASP 735 N 0.09 7.10 -0.16 3.54 1.01 -1.26 -0.46 116.67 126.54 2j1a s ASP 735 Ca -0.02 2.31 -0.17 0.00 0.71 0.00 0.00 52.55 55.39 2j1a s ASP 735 Cb -0.04 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.31 2j1a s ASP 735 CO 0.02 -0.26 0.47 0.00 0.21 0.00 0.00 175.17 175.61 2j1a s ALA 736 N -1.22 -1.17 -0.22 5.23 0.00 0.15 -4.75 121.76 119.77 2j1a s ALA 736 Ca 0.47 1.24 0.10 0.00 0.00 0.00 0.00 51.96 53.78 2j1a s ALA 736 Cb -0.32 -0.65 -0.21 0.00 0.00 0.00 0.00 23.12 21.93 2j1a s ALA 736 CO 0.41 -0.24 -0.05 1.17 0.00 0.00 0.00 175.76 177.06 2j1a n LYS 737 N 2.56 0.67 -5.28 0.00 4.81 -0.15 -1.12 118.16 119.65 2j1a n LYS 737 Ca -0.14 0.07 -0.31 0.00 -0.87 0.00 0.00 58.31 57.06 2j1a n LYS 737 Cb 0.57 -1.53 -0.16 0.00 0.02 0.00 0.00 35.03 33.93 2j1a n LYS 737 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2j1a s TYR 738 N -2.51 2.29 -0.14 5.64 2.02 -0.16 -0.40 117.35 124.10 2j1a s TYR 738 Ca -0.21 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.02 2j1a s TYR 738 Cb 0.07 -1.48 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 2j1a s TYR 738 CO 0.73 -0.06 -0.08 0.08 -1.57 0.00 0.00 175.55 174.65 2j1a s VAL 739 N -0.55 1.17 -0.16 0.71 1.01 -0.11 -1.31 120.40 121.16 2j1a s VAL 739 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2j1a s VAL 739 Cb -0.10 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2j1a s VAL 739 CO -0.00 0.30 -0.04 -0.60 0.00 0.00 0.00 175.10 174.76 2j1a s ARG 740 N 1.63 3.64 -0.44 2.72 3.52 0.35 -0.94 118.95 129.44 2j1a s ARG 740 Ca 0.03 -0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 54.99 2j1a s ARG 740 Cb -0.14 -2.93 0.08 0.00 -1.56 0.00 0.00 34.95 30.40 2j1a s ARG 740 CO -0.08 0.19 0.31 -1.17 -0.81 0.00 0.00 175.30 173.73 2j1a s LEU 741 N 0.51 5.35 -0.03 -0.88 2.96 0.40 -1.39 118.68 125.60 2j1a s LEU 741 Ca -0.03 -1.51 -0.18 0.00 -0.22 0.00 0.00 54.13 52.18 2j1a s LEU 741 Cb -0.14 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 2j1a s LEU 741 CO 0.03 -0.59 0.51 -1.81 -1.32 0.00 0.00 176.35 173.17 2j1a s ASP 742 N 2.33 6.86 -0.18 3.68 1.01 0.53 -1.68 116.67 129.23 2j1a s ASP 742 Ca 0.04 1.02 -0.20 0.00 0.71 0.00 0.00 52.55 54.12 2j1a s ASP 742 Cb -0.24 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2j1a s ASP 742 CO 0.03 0.14 0.59 -0.69 0.21 0.00 0.00 175.17 175.45 2j1a s VAL 743 N -0.26 5.06 -0.52 -1.27 1.01 -0.38 -0.58 120.40 123.46 2j1a s VAL 743 Ca 0.28 1.12 0.18 0.00 0.00 0.00 0.00 61.98 63.55 2j1a s VAL 743 Cb -0.17 -3.91 -0.22 0.00 0.00 0.00 0.00 36.38 32.08 2j1a s VAL 743 CO 0.14 0.15 0.61 0.35 0.00 0.00 0.00 175.10 176.36 2j1a n THR 744 N 4.52 0.00 -3.55 3.92 -2.24 0.26 -4.46 114.28 112.73 2j1a n THR 744 Ca -0.03 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 2j1a n THR 744 Cb 0.50 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 2j1a n THR 744 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2j1a s ASP 745 N -3.18 -0.58 0.18 3.42 2.15 -0.99 -4.88 116.67 112.78 2j1a s ASP 745 Ca 0.02 0.70 -0.18 0.00 0.43 0.00 0.00 52.55 53.51 2j1a s ASP 745 Cb 0.13 0.56 0.04 0.00 -0.30 0.00 0.00 42.92 43.35 2j1a s ASP 745 CO 0.73 -0.49 0.53 -0.94 -0.17 0.00 0.00 175.17 174.82 2j1a s SER 746 N -0.99 -0.31 0.48 -0.34 1.04 -1.26 -1.33 113.70 110.99 2j1a s SER 746 Ca -0.07 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.03 2j1a s SER 746 Cb -0.01 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 2j1a s SER 746 CO 0.06 -1.02 0.16 0.68 0.98 0.00 0.00 173.24 174.10 2j1a s VAL 747 N -3.84 1.71 0.18 5.02 -7.23 -0.69 -0.50 120.40 115.04 2j1a s VAL 747 Ca 0.07 -1.78 -0.14 0.00 -1.81 0.00 0.00 61.98 58.32 2j1a s VAL 747 Cb -0.01 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2j1a s VAL 747 CO -0.06 0.00 0.43 -0.94 -0.31 0.00 0.00 175.10 174.22 2j1a s SER 748 N -3.97 -0.14 0.36 4.85 1.04 -1.25 -0.91 113.70 113.67 2j1a s SER 748 Ca 0.26 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 56.12 2j1a s SER 748 Cb 0.02 0.52 0.69 0.00 0.10 0.00 0.00 66.02 67.35 2j1a s SER 748 CO 0.15 -0.98 1.96 0.44 0.98 0.00 0.00 173.24 175.78 2j1a h ASP 749 N 2.34 0.54 0.00 7.02 3.32 -1.95 -3.45 116.42 124.23 2j1a h ASP 749 Ca -0.30 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2j1a h ASP 749 Cb 1.25 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2j1a h ASP 749 CO 0.42 0.49 0.00 0.00 -1.72 0.00 0.00 179.24 178.43 2j1a n GLN 750 N -4.37 0.00 0.00 3.56 10.64 -1.26 -5.10 117.38 120.85 2j1a n GLN 750 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 2j1a n GLN 750 Cb 0.15 -0.09 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 2j1a n GLN 750 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2j1a n GLY 753 N 2.62 4.18 3.60 2.61 0.00 -1.26 -5.17 105.19 111.77 2j1a n GLY 753 Ca 0.00 -0.75 -0.48 0.00 0.00 0.00 0.00 46.02 44.79 2j1a n GLY 753 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j1a n ARG 754 N 0.00 1.37 0.00 1.61 1.74 -1.26 -2.46 116.66 117.66 2j1a n ARG 754 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2j1a n ARG 754 Cb 0.00 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2j1a n ARG 754 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j1a n GLY 755 N 2.14 2.00 0.24 -0.13 0.00 0.35 -4.82 105.19 104.96 2j1a n GLY 755 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2j1a n GLY 755 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j1a h LYS 756 N 0.95 0.44 -6.14 1.61 1.79 -1.72 -3.44 116.57 110.07 2j1a h LYS 756 Ca 0.00 -0.16 -0.61 0.00 -2.18 0.00 0.00 60.65 57.70 2j1a h LYS 756 Cb 0.00 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 30.48 2j1a h LYS 756 CO 0.00 0.65 -0.73 -0.06 -1.08 0.00 0.00 179.45 178.22 2j1a s PHE 757 N -4.53 2.33 -0.07 -1.35 2.99 -1.26 -4.45 117.98 111.65 2j1a s PHE 757 Ca -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 56.93 56.46 2j1a s PHE 757 Cb 0.14 -1.10 0.03 0.00 0.00 0.00 0.00 43.02 42.09 2j1a s PHE 757 CO 0.78 0.68 0.16 0.00 -0.00 0.00 0.00 175.22 176.84 2j1a s ALA 758 N -2.53 -0.32 0.08 5.36 0.00 -1.26 -4.28 121.76 118.81 2j1a s ALA 758 Ca 0.31 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.95 2j1a s ALA 758 Cb -0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2j1a s ALA 758 CO 0.16 -0.14 -0.08 0.95 0.00 0.00 0.00 175.76 176.64 2j1a s THR 759 N 0.94 0.75 -0.17 0.00 -4.23 -0.21 -0.66 115.64 112.07 2j1a s THR 759 Ca -0.07 -1.58 -0.08 0.00 -1.18 0.00 0.00 61.69 58.78 2j1a s THR 759 Cb -0.09 -1.25 0.06 0.00 1.34 0.00 0.00 72.50 72.56 2j1a s THR 759 CO -0.05 -0.61 0.39 0.00 -0.54 0.00 0.00 174.62 173.82 2j1a s ALA 760 N -2.51 -1.01 0.01 3.99 0.00 -0.90 -4.55 121.76 116.79 2j1a s ALA 760 Ca 0.03 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 2j1a s ALA 760 Cb -0.02 -0.97 -0.18 0.00 0.00 0.00 0.00 23.12 21.94 2j1a s ALA 760 CO -0.01 -0.34 1.21 0.00 0.00 0.00 0.00 175.76 176.62 2j1a h ALA 761 N 7.32 0.15 -2.69 0.00 0.00 -0.97 -0.32 119.26 122.76 2j1a h ALA 761 Ca -0.33 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.02 2j1a h ALA 761 Cb 1.17 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.73 2j1a h ALA 761 CO 0.27 0.19 -0.33 -1.21 0.00 0.00 0.00 179.25 178.17 2j1a s GLU 762 N -3.75 0.55 -0.07 0.00 0.41 -1.08 -4.28 118.70 110.48 2j1a s GLU 762 Ca -0.14 -0.04 -0.04 0.00 -0.41 0.00 0.00 54.97 54.34 2j1a s GLU 762 Cb 0.04 0.25 0.04 0.00 -1.78 0.00 0.00 34.13 32.68 2j1a s GLU 762 CO 0.77 -0.13 0.17 0.08 -0.49 0.00 0.00 175.26 175.66 2j1a s VAL 763 N -0.90 -0.04 0.33 2.63 1.01 0.40 -0.88 120.40 122.94 2j1a s VAL 763 Ca -0.10 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2j1a s VAL 763 Cb -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.08 2j1a s VAL 763 CO 0.03 0.07 0.63 0.54 0.00 0.00 0.00 175.10 176.37 2j1a s ASN 764 N 1.14 0.16 0.13 3.32 4.22 -1.01 -4.62 114.94 118.28 2j1a s ASN 764 Ca -0.09 -1.09 0.07 0.00 -2.14 0.00 0.00 52.86 49.62 2j1a s ASN 764 Cb -0.11 0.73 -0.04 0.00 1.28 0.00 0.00 41.25 43.11 2j1a s ASN 764 CO -0.06 -1.41 -0.17 0.68 -2.04 0.00 0.00 177.10 174.10 2j1a s VAL 765 N -3.15 1.55 0.06 3.54 -7.23 -1.26 -0.72 120.40 113.19 2j1a s VAL 765 Ca 0.20 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2j1a s VAL 765 Cb -0.03 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2j1a s VAL 765 CO 0.12 -0.31 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.55 2j1a s HIS 766 N -1.89 0.66 -0.27 2.82 3.76 -0.44 -4.51 115.29 115.42 2j1a s HIS 766 Ca 0.10 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.19 2j1a s HIS 766 Cb -0.06 -0.42 0.02 0.00 1.11 0.00 0.00 32.58 33.23 2j1a s HIS 766 CO 0.04 -0.21 0.57 0.41 -0.85 0.00 0.00 174.74 174.70