#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1p n VAL 713 N 0.00 0.97 -2.43 -1.45 0.24 -1.26 -3.98 118.33 110.42 3n1p n VAL 713 Ca 0.00 0.23 -0.41 0.00 -2.04 0.00 0.00 64.34 62.11 3n1p n VAL 713 Cb 0.00 -1.68 -0.04 0.00 -1.47 0.00 0.00 33.84 30.66 3n1p n VAL 713 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n1p s ALA 714 N -2.14 3.41 0.69 2.33 0.00 -1.26 -1.17 121.76 123.61 3n1p s ALA 714 Ca -0.06 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.82 3n1p s ALA 714 Cb 0.01 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.87 3n1p s ALA 714 CO 0.08 -0.30 0.95 0.20 0.00 0.00 0.00 175.76 176.69 3n1p s GLY 715 N -0.00 1.75 1.14 0.00 0.00 -1.26 -4.64 107.32 104.31 3n1p s GLY 715 Ca 0.51 -1.90 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 3n1p s GLY 715 CO 0.36 -1.33 0.98 -1.05 0.00 0.00 0.00 173.10 172.06 3n1p n PRO 716 N -2.70 -3.10 -3.70 2.90 -0.02 -1.26 -4.92 135.00 122.20 3n1p n PRO 716 Ca 0.16 -1.58 -0.27 0.00 -2.02 0.00 0.00 63.50 59.79 3n1p n PRO 716 Cb 0.61 -1.51 -0.17 0.00 -0.02 0.00 0.00 33.50 32.41 3n1p n PRO 716 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3n1p s TYR 717 N -2.75 0.84 0.03 6.00 5.04 -0.58 -4.37 117.35 121.57 3n1p s TYR 717 Ca 0.65 -0.76 -0.30 0.00 -2.44 0.00 0.00 57.07 54.21 3n1p s TYR 717 Cb -0.07 -0.97 -0.08 0.00 0.35 0.00 0.00 41.96 41.20 3n1p s TYR 717 CO 0.50 -0.60 1.68 0.42 -1.34 0.00 0.00 175.55 176.21 3n1p s ILE 718 N 1.92 3.20 -0.25 3.14 1.01 -1.26 -1.50 121.20 127.46 3n1p s ILE 718 Ca 0.00 0.52 0.05 0.00 0.00 0.00 0.00 60.65 61.22 3n1p s ILE 718 Cb -0.17 -3.33 -0.18 0.00 0.01 0.00 0.00 42.46 38.79 3n1p s ILE 718 CO -0.09 -0.02 -0.18 0.41 0.00 0.00 0.00 174.94 175.07 3n1p n THR 719 N 5.01 1.47 -3.82 2.92 -1.04 0.23 -4.94 114.28 114.11 3n1p n THR 719 Ca 0.17 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.05 61.43 3n1p n THR 719 Cb 0.41 -1.24 -0.12 0.00 -1.82 0.00 0.00 70.33 67.56 3n1p n THR 719 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3n1p s PHE 720 N -2.51 -0.16 0.00 -1.42 0.08 -1.18 -4.99 117.98 107.80 3n1p s PHE 720 Ca -0.30 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.13 3n1p s PHE 720 Cb 0.08 0.05 -0.00 0.00 -0.57 0.00 0.00 43.02 42.58 3n1p s PHE 720 CO 0.64 -0.12 -0.02 0.95 -0.10 0.00 0.00 175.22 176.58 3n1p s THR 721 N -0.10 0.14 0.03 0.64 -4.23 -1.26 -0.67 115.64 110.19 3n1p s THR 721 Ca -0.02 -0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.04 3n1p s THR 721 Cb -0.02 -0.15 0.08 0.00 1.34 0.00 0.00 72.50 73.76 3n1p s THR 721 CO 0.00 -0.03 0.72 -0.62 -0.54 0.00 0.00 174.62 174.15 3n1p s ASP 722 N -0.23 -0.54 -0.02 3.99 2.15 -0.00 -5.00 116.67 117.02 3n1p s ASP 722 Ca -0.01 0.26 -0.30 0.00 0.43 0.00 0.00 52.55 52.93 3n1p s ASP 722 Cb -0.02 0.51 -0.03 0.00 -0.30 0.00 0.00 42.92 43.08 3n1p s ASP 722 CO -0.00 -0.73 1.04 0.00 -0.17 0.00 0.00 175.17 175.31 3n1p s ALA 723 N -2.59 3.29 0.01 3.66 0.00 -1.26 0.07 121.76 124.93 3n1p s ALA 723 Ca -0.02 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.56 3n1p s ALA 723 Cb -0.01 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 3n1p s ALA 723 CO -0.04 -0.40 0.85 0.28 0.00 0.00 0.00 175.76 176.45 3n1p h VAL 724 N 4.85 1.13 0.00 0.00 2.07 -1.59 -3.46 116.25 119.24 3n1p h VAL 724 Ca -0.38 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.25 3n1p h VAL 724 Cb 1.20 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 3n1p h VAL 724 CO 0.80 0.71 0.00 -0.46 0.02 0.00 0.00 177.57 178.63 3n1p n ASN 725 N -3.23 1.59 0.11 0.57 0.23 -1.17 -5.00 115.26 108.36 3n1p n ASN 725 Ca -0.13 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.04 3n1p n ASN 725 Cb 1.02 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.96 3n1p n ASN 725 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3n1p h GLU 726 N 0.00 0.00 0.00 -3.83 3.07 -1.92 -1.21 114.58 110.69 3n1p h GLU 726 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3n1p h GLU 726 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3n1p h GLU 726 CO 0.00 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.86 3n1p n THR 727 N -2.41 0.13 -3.89 1.13 -2.24 -1.26 -2.64 114.28 103.10 3n1p n THR 727 Ca 0.04 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 3n1p n THR 727 Cb 0.46 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 3n1p n THR 727 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3n1p s THR 728 N -0.13 0.10 -0.02 4.28 -1.32 -1.26 -0.88 115.64 116.40 3n1p s THR 728 Ca 0.00 -0.79 0.04 0.00 -1.21 0.00 0.00 61.69 59.72 3n1p s THR 728 Cb 0.00 -0.52 -0.00 0.00 -1.51 0.00 0.00 72.50 70.47 3n1p s THR 728 CO 0.00 -0.44 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.21 3n1p s ILE 729 N -1.66 1.08 -0.12 5.08 1.01 -0.33 -1.44 121.20 124.82 3n1p s ILE 729 Ca -0.13 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 3n1p s ILE 729 Cb -0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3n1p s ILE 729 CO 0.00 0.32 0.14 -0.32 0.00 0.00 0.00 174.94 175.08 3n1p s MET 730 N -0.06 3.44 0.01 2.79 -2.45 0.11 -0.13 119.30 123.01 3n1p s MET 730 Ca 0.00 -0.14 -0.04 0.00 -1.25 0.00 0.00 55.69 54.27 3n1p s MET 730 Cb -0.08 -3.19 -0.01 0.00 1.25 0.00 0.00 34.83 32.81 3n1p s MET 730 CO 0.00 0.78 0.06 -0.48 1.05 0.00 0.00 175.02 176.43 3n1p s LEU 731 N -1.05 1.87 0.21 4.11 2.34 -0.52 -0.82 118.68 124.81 3n1p s LEU 731 Ca 0.15 -0.29 0.05 0.00 0.06 0.00 0.00 54.13 54.10 3n1p s LEU 731 Cb -0.12 0.38 -0.05 0.00 -0.56 0.00 0.00 46.19 45.84 3n1p s LEU 731 CO 0.04 -0.30 -0.06 -0.54 -1.06 0.00 0.00 176.35 174.43 3n1p s LYS 732 N -1.24 1.29 0.12 1.48 1.02 0.16 -1.26 119.74 121.29 3n1p s LYS 732 Ca -0.13 -1.61 -0.25 0.00 0.02 0.00 0.00 55.97 53.99 3n1p s LYS 732 Cb -0.08 -0.77 0.08 0.00 -0.52 0.00 0.00 37.83 36.54 3n1p s LYS 732 CO 0.00 0.01 0.72 1.67 -0.92 0.00 0.00 175.35 176.84 3n1p s TRP 733 N -3.27 -0.42 0.32 3.18 -2.14 -0.56 -0.60 118.94 115.45 3n1p s TRP 733 Ca 0.24 0.21 0.10 0.00 2.66 0.00 0.00 56.10 59.31 3n1p s TRP 733 Cb 0.04 0.57 -0.05 0.00 -3.10 0.00 0.00 33.47 30.92 3n1p s TRP 733 CO 0.07 -0.78 -0.04 0.00 -2.66 0.00 0.00 176.95 173.53 3n1p s MET 734 N -3.53 2.01 -0.28 3.25 0.23 -0.57 -4.79 119.30 115.63 3n1p s MET 734 Ca 0.04 -1.73 -0.20 0.00 -1.03 0.00 0.00 55.69 52.76 3n1p s MET 734 Cb -0.01 -1.91 0.08 0.00 -1.53 0.00 0.00 34.83 31.46 3n1p s MET 734 CO -0.09 0.20 0.71 -0.47 -2.03 0.00 0.00 175.02 173.34 3n1p s TYR 735 N -2.50 -0.93 -0.10 3.16 5.04 -1.26 -1.52 117.35 119.24 3n1p s TYR 735 Ca 0.33 2.02 -0.00 0.00 -2.44 0.00 0.00 57.07 56.99 3n1p s TYR 735 Cb -0.01 0.46 0.02 0.00 0.35 0.00 0.00 41.96 42.77 3n1p s TYR 735 CO 0.18 -0.45 -0.08 0.96 -1.34 0.00 0.00 175.55 174.82 3n1p s ILE 736 N 1.01 0.99 0.00 3.14 -0.00 -1.26 -5.11 121.20 119.97 3n1p s ILE 736 Ca -0.05 -0.28 0.00 0.00 -0.00 0.00 0.00 60.65 60.31 3n1p s ILE 736 Cb -0.05 -1.00 0.00 0.00 -0.00 0.00 0.00 42.46 41.41 3n1p s ILE 736 CO -0.10 0.35 0.00 -2.65 -0.00 0.00 0.00 174.94 172.55 3n1p n PRO 737 N 4.76 2.29 0.00 0.37 -0.02 -1.26 -4.06 135.00 137.08 3n1p n PRO 737 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3n1p n PRO 737 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3n1p n PRO 737 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n1p n ALA 738 N -3.00 0.00 0.28 3.55 0.00 -1.26 -4.03 120.51 116.05 3n1p n ALA 738 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3n1p n ALA 738 Cb 0.00 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.25 3n1p n ALA 738 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3n1p h SER 739 N 0.00 0.00 -0.21 0.00 4.64 -2.02 -2.13 113.55 113.82 3n1p h SER 739 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3n1p h SER 739 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 3n1p h SER 739 CO 0.00 0.08 -0.42 0.59 -0.87 0.00 0.00 176.83 176.21 3n1p n ASN 740 N -3.62 2.46 -1.56 4.97 3.02 -1.26 -4.64 115.26 114.63 3n1p n ASN 740 Ca -0.02 -3.86 -0.17 0.00 -0.03 0.00 0.00 54.58 50.50 3n1p n ASN 740 Cb 0.20 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 3n1p n ASN 740 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3n1p n ASN 741 N -1.06 -4.49 -1.02 6.41 3.02 -0.80 -1.59 115.26 115.72 3n1p n ASN 741 Ca 0.27 0.39 -0.13 0.00 -0.03 0.00 0.00 54.58 55.08 3n1p n ASN 741 Cb 0.82 -4.04 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 3n1p n ASN 741 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3n1p n ASN 742 N -1.00 -4.70 -4.60 6.41 4.13 -1.26 -4.70 115.26 109.54 3n1p n ASN 742 Ca -0.17 0.33 -0.35 0.00 1.68 0.00 0.00 54.58 56.07 3n1p n ASN 742 Cb 0.56 -3.38 0.10 0.00 -1.54 0.00 0.00 39.78 35.52 3n1p n ASN 742 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3n1p n THR 743 N -2.58 2.35 -2.45 3.41 -2.24 -0.62 -4.92 114.28 107.24 3n1p n THR 743 Ca -0.13 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 3n1p n THR 743 Cb 0.45 -1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 3n1p n THR 743 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3n1p s PRO 744 N -3.48 3.76 -0.12 -0.78 0.04 -1.26 -5.02 135.00 128.15 3n1p s PRO 744 Ca 0.71 1.49 0.02 0.00 0.04 0.00 0.00 61.00 63.27 3n1p s PRO 744 Cb -0.32 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.03 3n1p s PRO 744 CO 0.52 -0.48 -0.19 0.42 0.04 0.00 0.00 177.00 177.31 3n1p s ILE 745 N -1.82 1.78 -0.93 0.56 1.01 -1.26 -4.61 121.20 115.92 3n1p s ILE 745 Ca 0.66 -0.81 0.17 0.00 0.00 0.00 0.00 60.65 60.68 3n1p s ILE 745 Cb -0.20 -1.59 0.69 0.00 0.01 0.00 0.00 42.46 41.36 3n1p s ILE 745 CO 0.25 0.49 1.60 1.41 0.00 0.00 0.00 174.94 178.69 3n1p n HIS 746 N 4.15 1.44 -0.15 3.97 8.25 -0.36 -4.47 115.22 128.05 3n1p n HIS 746 Ca -0.19 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 3n1p n HIS 746 Cb 0.51 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3n1p n HIS 746 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n1p n GLY 747 N 0.89 0.87 3.10 -1.41 0.00 -1.24 -4.25 105.19 103.15 3n1p n GLY 747 Ca 0.25 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 3n1p n GLY 747 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1p s PHE 748 N -1.81 0.81 -0.21 1.61 0.40 -0.44 -2.40 117.98 115.94 3n1p s PHE 748 Ca 0.00 -0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 55.72 3n1p s PHE 748 Cb 0.00 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 43.03 3n1p s PHE 748 CO 0.00 -0.06 0.05 0.71 0.70 0.00 0.00 175.22 176.62 3n1p s TYR 749 N -1.67 3.13 -0.35 0.36 1.51 0.64 -2.07 117.35 118.91 3n1p s TYR 749 Ca -0.05 -0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 55.69 3n1p s TYR 749 Cb -0.08 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3n1p s TYR 749 CO 0.00 -0.11 0.18 0.42 -1.11 0.00 0.00 175.55 174.93 3n1p s ILE 750 N 0.93 4.57 -0.06 2.71 1.09 -0.02 -1.72 121.20 128.70 3n1p s ILE 750 Ca 0.03 -0.68 -0.10 0.00 -1.10 0.00 0.00 60.65 58.81 3n1p s ILE 750 Cb -0.14 -3.46 -0.05 0.00 -1.06 0.00 0.00 42.46 37.75 3n1p s ILE 750 CO 0.02 -0.11 0.25 -0.31 -0.10 0.00 0.00 174.94 174.70 3n1p s TYR 751 N 1.58 3.64 -0.02 3.97 2.02 0.15 -1.23 117.35 127.47 3n1p s TYR 751 Ca 0.03 0.70 -0.14 0.00 -0.37 0.00 0.00 57.07 57.29 3n1p s TYR 751 Cb -0.18 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.33 3n1p s TYR 751 CO 0.06 0.69 0.29 1.52 -1.57 0.00 0.00 175.55 176.54 3n1p s TYR 752 N -1.08 -0.16 -0.18 2.71 -0.85 -0.75 -1.50 117.35 115.54 3n1p s TYR 752 Ca 0.20 0.24 -0.23 0.00 -0.52 0.00 0.00 57.07 56.76 3n1p s TYR 752 Cb -0.14 0.08 0.06 0.00 0.38 0.00 0.00 41.96 42.34 3n1p s TYR 752 CO 0.09 -0.37 0.61 0.50 -1.52 0.00 0.00 175.55 174.86 3n1p s ARG 753 N -1.26 0.78 -0.02 -3.49 3.52 -0.48 -0.37 118.95 117.64 3n1p s ARG 753 Ca -0.13 0.67 -0.34 0.00 -0.13 0.00 0.00 55.73 55.80 3n1p s ARG 753 Cb -0.05 0.38 -0.12 0.00 -1.56 0.00 0.00 34.95 33.59 3n1p s ARG 753 CO 0.04 -0.14 1.81 -2.30 -0.81 0.00 0.00 175.30 173.90 3n1p n PRO 754 N 2.30 2.23 -0.19 5.12 -0.02 -1.26 0.10 135.00 143.28 3n1p n PRO 754 Ca -0.15 0.81 0.23 0.00 -2.02 0.00 0.00 63.50 62.37 3n1p n PRO 754 Cb 0.56 -2.65 0.62 0.00 -0.02 0.00 0.00 33.50 32.01 3n1p n PRO 754 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3n1p h THR 755 N 5.00 0.63 0.00 3.45 2.02 -1.26 0.19 112.91 122.94 3n1p h THR 755 Ca -0.48 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3n1p h THR 755 Cb 1.26 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3n1p h THR 755 CO 0.93 0.03 0.00 0.47 0.37 0.00 0.00 175.52 177.33 3n1p n ASP 756 N -4.40 0.00 -4.51 4.18 8.00 -1.26 -4.57 116.55 113.99 3n1p n ASP 756 Ca 0.18 -0.42 -0.31 0.00 0.71 0.00 0.00 54.79 54.95 3n1p n ASP 756 Cb 0.80 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.78 3n1p n ASP 756 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n1p s SER 757 N -1.87 4.13 0.00 -2.24 0.15 0.67 -5.01 113.70 109.52 3n1p s SER 757 Ca 0.08 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.40 3n1p s SER 757 Cb 0.04 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 3n1p s SER 757 CO 0.06 0.26 0.59 0.47 1.20 0.00 0.00 173.24 175.82 3n1p n ASP 758 N 1.50 1.15 -4.64 5.45 10.43 -1.26 -4.93 116.55 124.25 3n1p n ASP 758 Ca -0.16 -1.25 -0.39 0.00 2.57 0.00 0.00 54.79 55.56 3n1p n ASP 758 Cb 0.52 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.40 3n1p n ASP 758 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3n1p s ASN 759 N -0.25 6.39 0.00 -2.24 3.84 -1.26 -4.95 114.94 116.46 3n1p s ASN 759 Ca 0.00 0.46 0.11 0.00 0.21 0.00 0.00 52.86 53.63 3n1p s ASN 759 Cb 0.00 -2.24 0.64 0.00 -0.55 0.00 0.00 41.25 39.10 3n1p s ASN 759 CO 0.00 -0.16 1.06 0.47 -2.79 0.00 0.00 177.10 175.68 3n1p n ASP 760 N 5.00 0.00 -0.61 -4.21 8.00 -1.26 -1.38 116.55 122.09 3n1p n ASP 760 Ca -0.07 -0.43 0.13 0.00 0.71 0.00 0.00 54.79 55.13 3n1p n ASP 760 Cb 0.51 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.95 3n1p n ASP 760 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3n1p n SER 761 N -0.94 1.96 -0.72 -2.24 7.64 -1.26 -4.06 113.62 114.00 3n1p n SER 761 Ca 0.08 -1.59 0.12 0.00 1.01 0.00 0.00 58.87 58.48 3n1p n SER 761 Cb 0.04 0.05 0.05 0.00 -1.01 0.00 0.00 64.21 63.33 3n1p n SER 761 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3n1p n ASP 762 N 0.45 2.50 -4.72 6.43 8.00 -0.48 -4.93 116.55 123.79 3n1p n ASP 762 Ca 0.16 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.49 3n1p n ASP 762 Cb 0.44 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 3n1p n ASP 762 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n1p s TYR 763 N -2.25 3.27 0.43 1.24 2.02 -1.26 -4.70 117.35 116.11 3n1p s TYR 763 Ca 0.23 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 58.02 3n1p s TYR 763 Cb 0.19 -3.62 -0.01 0.00 -0.40 0.00 0.00 41.96 38.12 3n1p s TYR 763 CO 0.44 -2.08 0.65 0.21 -1.57 0.00 0.00 175.55 173.20 3n1p s LYS 764 N 0.67 3.17 -0.01 -0.62 2.20 0.50 -4.88 119.74 120.77 3n1p s LYS 764 Ca 0.61 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.82 3n1p s LYS 764 Cb -0.36 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 3n1p s LYS 764 CO 0.33 -0.18 -0.12 0.21 -0.36 0.00 0.00 175.35 175.23 3n1p s LYS 765 N -4.51 0.94 0.05 4.03 2.20 -1.26 -1.80 119.74 119.39 3n1p s LYS 765 Ca 0.47 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.71 3n1p s LYS 765 Cb -0.10 -0.91 -0.03 0.00 -1.51 0.00 0.00 37.83 35.29 3n1p s LYS 765 CO 0.38 0.25 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.94 3n1p s ASP 766 N -0.30 2.02 -0.15 1.43 1.11 -0.36 -4.96 116.67 115.45 3n1p s ASP 766 Ca 0.04 -0.53 -0.03 0.00 0.18 0.00 0.00 52.55 52.21 3n1p s ASP 766 Cb -0.05 -0.13 -0.03 0.00 1.07 0.00 0.00 42.92 43.79 3n1p s ASP 766 CO -0.00 0.06 -0.05 -0.04 1.18 0.00 0.00 175.17 176.32 3n1p s MET 767 N -1.33 3.64 0.22 8.23 -1.94 -1.26 -0.84 119.30 126.02 3n1p s MET 767 Ca 0.03 -0.54 0.07 0.00 -1.71 0.00 0.00 55.69 53.54 3n1p s MET 767 Cb -0.09 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 3n1p s MET 767 CO 0.02 0.24 -0.10 0.14 -0.01 0.00 0.00 175.02 175.31 3n1p s VAL 768 N 0.36 1.57 0.44 -6.03 -7.23 -0.88 -5.00 120.40 103.63 3n1p s VAL 768 Ca -0.05 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 57.84 3n1p s VAL 768 Cb -0.14 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 34.57 3n1p s VAL 768 CO 0.03 -0.51 0.84 -1.83 -0.31 0.00 0.00 175.10 173.32 3n1p s GLU 769 N -3.70 3.85 0.00 4.82 -1.05 -1.26 -1.32 118.70 120.03 3n1p s GLU 769 Ca 0.24 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.71 3n1p s GLU 769 Cb 0.01 -2.31 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 3n1p s GLU 769 CO 0.08 -0.11 0.39 0.41 0.95 0.00 0.00 175.26 176.98 3n1p n GLY 770 N -1.34 0.25 0.40 -3.83 0.00 -1.26 -2.55 105.19 96.86 3n1p n GLY 770 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 3n1p n GLY 770 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n1p n ASP 771 N -0.08 2.73 -4.15 1.61 8.00 -1.26 -4.89 116.55 118.51 3n1p n ASP 771 Ca 0.00 -2.34 -0.22 0.00 0.71 0.00 0.00 54.79 52.93 3n1p n ASP 771 Cb 0.08 -0.25 -0.14 0.00 -0.02 0.00 0.00 41.12 40.79 3n1p n ASP 771 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3n1p s LYS 772 N -1.61 1.13 0.00 -1.24 -2.85 -1.06 -5.02 119.74 109.10 3n1p s LYS 772 Ca 0.21 -0.69 0.15 0.00 -1.00 0.00 0.00 55.97 54.64 3n1p s LYS 772 Cb 0.15 -1.14 0.29 0.00 -2.06 0.00 0.00 37.83 35.07 3n1p s LYS 772 CO 0.08 0.30 1.19 2.48 0.10 0.00 0.00 175.35 179.49 3n1p n TYR 773 N 2.26 0.35 -3.85 1.78 4.11 -1.26 -4.96 117.16 115.59 3n1p n TYR 773 Ca -0.16 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.90 57.38 3n1p n TYR 773 Cb 0.55 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.82 3n1p n TYR 773 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 3n1p s TRP 774 N -1.14 0.15 0.12 -3.48 1.48 -1.26 -1.49 118.94 113.31 3n1p s TRP 774 Ca 0.26 -0.51 -0.25 0.00 -1.06 0.00 0.00 56.10 54.54 3n1p s TRP 774 Cb 0.15 0.13 0.07 0.00 -1.16 0.00 0.00 33.47 32.67 3n1p s TRP 774 CO 0.21 -0.78 0.78 -1.58 -4.06 0.00 0.00 176.95 171.52 3n1p s HIS 775 N -3.91 -0.35 -0.13 1.66 2.46 -0.39 -5.00 115.29 109.62 3n1p s HIS 775 Ca 0.12 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.78 3n1p s HIS 775 Cb 0.02 0.59 0.02 0.00 -0.13 0.00 0.00 32.58 33.08 3n1p s HIS 775 CO -0.03 -0.79 -0.11 -1.12 -2.47 0.00 0.00 174.74 170.23 3n1p s SER 776 N -2.71 2.37 -0.37 9.88 0.01 -1.26 -1.44 113.70 120.19 3n1p s SER 776 Ca 0.06 -0.38 -0.21 0.00 1.31 0.00 0.00 55.95 56.72 3n1p s SER 776 Cb -0.02 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.24 3n1p s SER 776 CO -0.06 -0.08 0.69 -0.63 0.41 0.00 0.00 173.24 173.56 3n1p s ILE 777 N 1.55 4.82 0.49 1.44 1.01 0.82 -4.91 121.20 126.43 3n1p s ILE 777 Ca 0.04 0.65 0.08 0.00 0.00 0.00 0.00 60.65 61.41 3n1p s ILE 777 Cb -0.13 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.23 3n1p s ILE 777 CO -0.09 -0.39 0.51 -0.94 0.00 0.00 0.00 174.94 174.03 3n1p s SER 778 N 1.84 5.00 -1.16 3.58 1.04 -1.26 -1.19 113.70 121.55 3n1p s SER 778 Ca 0.27 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 3n1p s SER 778 Cb -0.14 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.91 3n1p s SER 778 CO 0.16 -0.97 0.76 1.41 0.98 0.00 0.00 173.24 175.59 3n1p n HIS 779 N -1.81 -2.02 -2.82 5.02 8.25 -0.93 -4.94 115.22 115.97 3n1p n HIS 779 Ca 0.05 0.65 -0.22 0.00 -0.26 0.00 0.00 57.72 57.95 3n1p n HIS 779 Cb 0.62 -4.07 0.10 0.00 1.12 0.00 0.00 29.99 27.76 3n1p n HIS 779 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n1p s LEU 780 N -5.81 2.96 -0.10 2.41 1.43 -0.06 -5.06 118.68 114.45 3n1p s LEU 780 Ca 0.38 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 3n1p s LEU 780 Cb -0.17 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3n1p s LEU 780 CO 0.47 -1.73 0.18 -1.58 0.23 0.00 0.00 176.35 173.92 3n1p s GLN 781 N -4.96 3.55 0.35 1.70 2.00 -1.26 -4.61 119.66 116.43 3n1p s GLN 781 Ca 0.66 -0.05 -0.29 0.00 -2.00 0.00 0.00 55.36 53.69 3n1p s GLN 781 Cb -0.04 -3.21 -0.11 0.00 0.80 0.00 0.00 33.01 30.45 3n1p s GLN 781 CO 0.43 0.74 1.47 -2.14 -0.50 0.00 0.00 175.29 175.28 3n1p s PRO 782 N -0.96 4.16 -1.36 1.67 0.02 -1.08 -3.26 135.00 134.19 3n1p s PRO 782 Ca 0.16 2.50 -0.05 0.00 0.02 0.00 0.00 61.00 63.63 3n1p s PRO 782 Cb -0.13 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 31.42 3n1p s PRO 782 CO 0.05 -0.48 0.88 -1.91 -0.33 0.00 0.00 177.00 175.22 3n1p n GLU 783 N 0.84 -5.72 -4.52 5.54 2.13 0.70 -4.97 120.64 114.65 3n1p n GLU 783 Ca 0.02 0.67 -0.21 0.00 0.66 0.00 0.00 57.16 58.30 3n1p n GLU 783 Cb 0.39 -5.45 -0.14 0.00 0.27 0.00 0.00 31.44 26.51 3n1p n GLU 783 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3n1p s THR 784 N -3.48 1.12 0.09 6.31 2.01 -1.20 -4.91 115.64 115.58 3n1p s THR 784 Ca 0.26 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 3n1p s THR 784 Cb -0.12 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.35 3n1p s THR 784 CO 0.80 0.18 0.51 -0.55 -0.69 0.00 0.00 174.62 174.86 3n1p s SER 785 N -0.70 6.87 -0.02 3.53 0.15 -1.26 -1.83 113.70 120.44 3n1p s SER 785 Ca 0.04 1.08 0.02 0.00 0.70 0.00 0.00 55.95 57.79 3n1p s SER 785 Cb -0.07 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 3n1p s SER 785 CO 0.00 0.21 -0.08 -0.31 1.20 0.00 0.00 173.24 174.26 3n1p s TYR 786 N -1.28 0.82 0.01 3.44 1.51 0.59 -0.77 117.35 121.68 3n1p s TYR 786 Ca 0.32 -0.19 -0.27 0.00 -1.01 0.00 0.00 57.07 55.92 3n1p s TYR 786 Cb -0.16 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 3n1p s TYR 786 CO 0.18 -0.08 0.83 -0.51 -1.11 0.00 0.00 175.55 174.86 3n1p s ASP 787 N 0.14 7.23 -0.08 2.29 1.01 0.12 -1.50 116.67 125.87 3n1p s ASP 787 Ca -0.02 1.48 -0.00 0.00 0.71 0.00 0.00 52.55 54.72 3n1p s ASP 787 Cb -0.07 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.39 3n1p s ASP 787 CO 0.00 -0.10 -0.05 -0.63 0.21 0.00 0.00 175.17 174.59 3n1p s ILE 788 N 0.46 0.76 0.15 0.77 1.01 0.13 -1.38 121.20 123.10 3n1p s ILE 788 Ca 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 3n1p s ILE 788 Cb -0.20 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3n1p s ILE 788 CO 0.24 0.31 0.10 -1.59 0.00 0.00 0.00 174.94 174.00 3n1p s LYS 789 N 1.53 1.01 0.30 2.79 -2.85 -0.56 0.06 119.74 122.02 3n1p s LYS 789 Ca -0.00 -1.45 -0.06 0.00 -1.00 0.00 0.00 55.97 53.45 3n1p s LYS 789 Cb -0.13 0.26 -0.00 0.00 -2.06 0.00 0.00 37.83 35.90 3n1p s LYS 789 CO -0.05 -0.30 0.45 0.00 0.10 0.00 0.00 175.35 175.55 3n1p s MET 790 N -4.06 1.73 -0.10 1.78 0.23 -1.26 0.35 119.30 117.96 3n1p s MET 790 Ca 0.26 -1.56 -0.27 0.00 -1.03 0.00 0.00 55.69 53.09 3n1p s MET 790 Cb 0.07 0.44 0.06 0.00 -1.53 0.00 0.00 34.83 33.88 3n1p s MET 790 CO 0.04 -0.71 0.64 1.14 -2.03 0.00 0.00 175.02 174.10 3n1p s GLN 791 N -3.47 0.95 0.50 3.16 -2.07 -0.70 0.93 119.66 118.96 3n1p s GLN 791 Ca 0.28 0.40 0.01 0.00 -1.82 0.00 0.00 55.36 54.23 3n1p s GLN 791 Cb 0.00 0.45 0.02 0.00 -1.09 0.00 0.00 33.01 32.39 3n1p s GLN 791 CO 0.15 -0.25 0.71 0.00 -1.32 0.00 0.00 175.29 174.58 3n1p s PHE 793 N -2.64 -0.46 0.00 0.00 -0.12 -1.01 0.08 117.98 113.83 3n1p s PHE 793 Ca 0.53 0.24 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 3n1p s PHE 793 Cb -0.10 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 3n1p s PHE 793 CO 0.38 -0.84 0.00 0.27 -0.05 0.00 0.00 175.22 174.98 3n1p n ASN 794 N -0.37 0.00 0.00 1.98 0.23 -0.90 -1.22 115.26 114.98 3n1p n ASN 794 Ca -0.14 -0.40 0.02 0.00 -0.53 0.00 0.00 54.58 53.54 3n1p n ASN 794 Cb 0.64 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.45 3n1p n ASN 794 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3n1p n GLU 795 N 0.00 0.00 0.00 -3.83 1.02 -1.26 -1.76 120.64 114.81 3n1p n GLU 795 Ca 0.00 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 57.67 3n1p n GLU 795 Cb 0.00 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.12 3n1p n GLU 795 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1p n GLY 796 N -0.96 0.12 0.00 0.62 0.00 -1.26 -5.07 105.19 98.64 3n1p n GLY 796 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3n1p n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n1p n GLY 797 N 1.34 0.47 3.94 -0.02 0.00 -0.72 -4.85 105.19 105.35 3n1p n GLY 797 Ca 0.13 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 3n1p n GLY 797 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n1p s GLU 798 N -0.47 3.48 0.83 1.61 8.01 -1.26 -2.11 118.70 128.79 3n1p s GLU 798 Ca 0.00 -0.49 -0.07 0.00 0.01 0.00 0.00 54.97 54.42 3n1p s GLU 798 Cb 0.00 -2.86 0.16 0.00 -4.31 0.00 0.00 34.13 27.12 3n1p s GLU 798 CO 0.00 0.41 1.14 -1.54 0.01 0.00 0.00 175.26 175.28 3n1p s SER 799 N -3.44 3.78 0.92 -0.19 1.04 0.11 -4.70 113.70 111.21 3n1p s SER 799 Ca 0.37 -0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.55 3n1p s SER 799 Cb -0.10 -0.07 0.15 0.00 0.10 0.00 0.00 66.02 66.10 3n1p s SER 799 CO 0.30 -2.26 1.12 -1.61 0.98 0.00 0.00 173.24 171.77 3n1p s GLU 800 N -5.47 0.99 0.39 4.02 2.02 -0.32 -4.73 118.70 115.61 3n1p s GLU 800 Ca 0.70 1.40 -0.25 0.00 0.02 0.00 0.00 54.97 56.84 3n1p s GLU 800 Cb -0.04 -1.74 -0.09 0.00 0.10 0.00 0.00 34.13 32.36 3n1p s GLU 800 CO 0.48 -2.60 1.07 -0.06 0.02 0.00 0.00 175.26 174.17 3n1p s PHE 801 N -2.68 3.25 1.09 1.61 0.40 -1.26 -3.98 117.98 116.41 3n1p s PHE 801 Ca 0.66 1.63 -0.17 0.00 -0.60 0.00 0.00 56.93 58.45 3n1p s PHE 801 Cb -0.22 -3.19 0.24 0.00 0.51 0.00 0.00 43.02 40.36 3n1p s PHE 801 CO 0.58 -0.75 1.16 -1.54 0.70 0.00 0.00 175.22 175.37 3n1p s SER 802 N -1.45 1.88 0.76 1.36 1.04 0.27 -4.75 113.70 112.81 3n1p s SER 802 Ca 0.57 0.63 -0.16 0.00 0.48 0.00 0.00 55.95 57.47 3n1p s SER 802 Cb -0.24 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 3n1p s SER 802 CO 0.30 -3.53 0.40 -0.46 0.98 0.00 0.00 173.24 170.93 3n1p n ASN 803 N -4.36 -1.74 -4.49 7.02 6.94 -1.26 -4.58 115.26 112.80 3n1p n ASN 803 Ca 0.12 0.53 -0.37 0.00 -0.02 0.00 0.00 54.58 54.84 3n1p n ASN 803 Cb 0.59 -1.17 -0.12 0.00 -2.36 0.00 0.00 39.78 36.73 3n1p n ASN 803 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3n1p s VAL 804 N -1.99 4.65 -0.11 3.53 1.01 -1.26 -4.51 120.40 121.72 3n1p s VAL 804 Ca 0.62 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 3n1p s VAL 804 Cb -0.33 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3n1p s VAL 804 CO 0.61 0.26 0.09 -0.04 0.00 0.00 0.00 175.10 176.03 3n1p s MET 805 N 1.66 3.30 -0.32 2.72 -1.94 0.11 -4.89 119.30 119.94 3n1p s MET 805 Ca 0.06 -0.23 -0.08 0.00 -1.71 0.00 0.00 55.69 53.73 3n1p s MET 805 Cb -0.16 -3.06 0.01 0.00 2.01 0.00 0.00 34.83 33.64 3n1p s MET 805 CO 0.06 0.74 0.12 0.42 -0.01 0.00 0.00 175.02 176.36 3n1p s ILE 806 N -0.95 4.18 0.06 2.53 1.01 -1.26 0.19 121.20 126.96 3n1p s ILE 806 Ca 0.14 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.10 3n1p s ILE 806 Cb -0.12 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3n1p s ILE 806 CO 0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 174.94 174.82 3n1p s GLU 808 N -1.60 1.92 0.20 0.00 2.12 -1.26 -0.30 118.70 119.78 3n1p s GLU 808 Ca -0.02 -1.41 -0.00 0.00 0.36 0.00 0.00 54.97 53.89 3n1p s GLU 808 Cb -0.10 -2.04 0.04 0.00 0.26 0.00 0.00 34.13 32.29 3n1p s GLU 808 CO 0.02 0.40 0.27 0.25 -0.54 0.00 0.00 175.26 175.67 3n1p n THR 809 N -0.11 0.00 -2.94 -1.70 -2.24 -0.76 -4.11 114.28 102.41 3n1p n THR 809 Ca -0.10 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 3n1p n THR 809 Cb 0.57 -1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.48 3n1p n THR 809 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3n1p s LYS 810 N -3.14 3.81 0.00 -0.78 1.02 -0.46 -4.41 119.74 115.79 3n1p s LYS 810 Ca 0.18 0.48 0.14 0.00 0.02 0.00 0.00 55.97 56.79 3n1p s LYS 810 Cb -0.01 -2.42 0.86 0.00 -0.52 0.00 0.00 37.83 35.74 3n1p s LYS 810 CO 0.12 0.02 1.27 0.00 -0.92 0.00 0.00 175.35 175.84