#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uyn n ALA 787 N 0.00 6.95 0.39 0.00 0.00 -1.26 -4.65 120.51 121.94 1uyn n ALA 787 Ca 0.00 -3.71 0.12 0.00 0.00 0.00 0.00 53.44 49.86 1uyn n ALA 787 Cb 0.00 -2.83 0.51 0.00 0.00 0.00 0.00 19.45 17.12 1uyn n ALA 787 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1uyn n THR 788 N 2.15 0.82 0.01 0.00 -2.24 -1.26 -3.14 114.28 110.61 1uyn n THR 788 Ca 0.64 0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 62.64 1uyn n THR 788 Cb 0.31 -1.18 0.25 0.00 -2.10 0.00 0.00 70.33 67.61 1uyn n THR 788 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1uyn h VAL 789 N 0.00 1.23 -0.25 2.28 3.04 -1.99 -0.91 116.25 119.66 1uyn h VAL 789 Ca 0.00 -1.03 -0.07 0.00 -1.01 0.00 0.00 66.70 64.59 1uyn h VAL 789 Cb 0.37 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1uyn h VAL 789 CO 0.00 0.34 -0.11 1.88 -1.01 0.00 0.00 177.57 178.67 1uyn h TYR 790 N 0.46 0.59 -0.57 3.17 0.05 -1.94 -2.04 116.97 116.69 1uyn h TYR 790 Ca 0.08 -0.14 0.04 0.00 0.05 0.00 0.00 58.73 58.76 1uyn h TYR 790 Cb 0.50 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 1uyn h TYR 790 CO 0.02 0.77 0.33 0.00 -1.05 0.00 0.00 178.16 178.23 1uyn h ALA 791 N 0.73 0.75 -0.37 3.88 0.00 -1.62 -2.42 119.26 120.20 1uyn h ALA 791 Ca 0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1uyn h ALA 791 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1uyn h ALA 791 CO 0.03 0.03 -0.22 -0.44 0.00 0.00 0.00 179.25 178.66 1uyn h ASP 792 N 0.65 0.83 -0.19 0.00 3.32 -1.18 -0.63 116.42 119.21 1uyn h ASP 792 Ca 0.24 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1uyn h ASP 792 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1uyn h ASP 792 CO -0.13 1.07 -0.02 0.77 -1.72 0.00 0.00 179.24 179.22 1uyn h SER 793 N 0.59 0.35 -0.29 6.45 4.64 -1.35 0.24 113.55 124.18 1uyn h SER 793 Ca 0.08 -0.33 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1uyn h SER 793 Cb 0.78 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 1uyn h SER 793 CO 0.06 0.60 -0.03 0.74 -0.87 0.00 0.00 176.83 177.33 1uyn h THR 794 N 0.09 0.75 -0.72 2.95 2.02 -1.40 -0.65 112.91 115.95 1uyn h THR 794 Ca 0.05 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.33 1uyn h THR 794 Cb 0.43 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 1uyn h THR 794 CO 0.01 0.01 0.32 0.00 0.37 0.00 0.00 175.52 176.24 1uyn h ALA 795 N 1.27 1.00 -0.52 6.16 0.00 -1.01 -1.61 119.26 124.55 1uyn h ALA 795 Ca 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1uyn h ALA 795 Cb 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1uyn h ALA 795 CO -0.26 -0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.10 1uyn h ALA 796 N 1.48 1.44 0.12 0.00 0.00 0.02 -2.08 119.26 120.24 1uyn h ALA 796 Ca 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1uyn h ALA 796 Cb 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uyn h ALA 796 CO -0.33 0.44 -0.06 1.25 0.00 0.00 0.00 179.25 180.55 1uyn h HIS 797 N 0.74 -0.15 -1.00 0.00 -0.00 -0.45 -2.38 115.15 111.90 1uyn h HIS 797 Ca 0.18 -0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.78 1uyn h HIS 797 Cb 0.10 0.05 -0.10 0.00 -0.00 0.00 0.00 27.41 27.46 1uyn h HIS 797 CO 0.01 0.27 0.63 0.00 -0.00 0.00 0.00 177.93 178.84 1uyn h ALA 798 N 0.14 1.98 -0.12 5.26 0.00 -1.25 0.86 119.26 126.13 1uyn h ALA 798 Ca -0.02 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1uyn h ALA 798 Cb 0.49 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1uyn h ALA 798 CO 0.03 -0.38 -0.45 0.22 0.00 0.00 0.00 179.25 178.67 1uyn h ASP 799 N 0.54 0.60 -0.80 0.00 3.58 -1.35 -2.27 116.42 116.72 1uyn h ASP 799 Ca 0.58 -0.62 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 1uyn h ASP 799 Cb 1.23 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 1uyn h ASP 799 CO -0.34 1.12 0.44 0.24 -2.88 0.00 0.00 179.24 177.82 1uyn h MET 800 N 0.11 1.11 -0.30 0.28 2.86 -0.86 -2.73 114.93 115.40 1uyn h MET 800 Ca -0.02 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1uyn h MET 800 Cb 1.08 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1uyn h MET 800 CO 0.09 0.82 0.20 0.37 1.06 0.00 0.00 176.91 179.45 1uyn h GLN 801 N 1.11 0.35 -0.24 1.72 5.75 -0.71 -2.00 115.11 121.09 1uyn h GLN 801 Ca 0.28 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.68 1uyn h GLN 801 Cb 0.03 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1uyn h GLN 801 CO -0.05 0.23 -0.19 0.78 -2.65 0.00 0.00 178.83 176.95 1uyn h GLY 802 N 0.36 0.47 1.59 2.39 0.00 -1.08 -1.97 103.07 104.83 1uyn h GLY 802 Ca 0.12 -0.35 -0.23 0.00 0.00 0.00 0.00 47.33 46.87 1uyn h GLY 802 CO -0.03 0.32 -0.99 3.21 0.00 0.00 0.00 176.54 179.06 1uyn h ARG 803 N 0.40 0.36 -0.85 4.80 3.08 -1.42 -2.29 114.38 118.45 1uyn h ARG 803 Ca 0.07 -0.42 0.06 0.00 0.07 0.00 0.00 59.98 59.75 1uyn h ARG 803 Cb 0.57 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 1uyn h ARG 803 CO 0.04 1.11 0.53 0.00 -1.07 0.00 0.00 179.97 180.58 1uyn h ARG 804 N 0.19 0.95 -0.53 0.04 3.08 -1.05 -0.92 114.38 116.15 1uyn h ARG 804 Ca -0.09 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1uyn h ARG 804 Cb 1.64 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 1uyn h ARG 804 CO 0.17 0.63 -0.03 1.25 -1.07 0.00 0.00 179.97 180.92 1uyn h LEU 805 N 0.98 0.89 -0.81 3.04 5.85 -1.35 -2.81 115.31 121.11 1uyn h LEU 805 Ca 0.37 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1uyn h LEU 805 Cb 0.14 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 1uyn h LEU 805 CO -0.16 0.97 0.46 0.11 -0.34 0.00 0.00 178.44 179.48 1uyn h LYS 806 N 0.84 0.76 -0.60 1.25 1.57 -0.61 -1.47 116.57 118.32 1uyn h LYS 806 Ca 0.15 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1uyn h LYS 806 Cb 0.54 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1uyn h LYS 806 CO 0.03 0.50 0.02 0.00 -0.57 0.00 0.00 179.45 179.43 1uyn h ALA 807 N 1.44 0.90 -0.27 3.86 0.00 -1.03 0.18 119.26 124.34 1uyn h ALA 807 Ca 0.38 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1uyn h ALA 807 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1uyn h ALA 807 CO -0.24 0.66 -0.41 0.28 0.00 0.00 0.00 179.25 179.54 1uyn h VAL 808 N 0.95 1.29 -0.05 0.00 2.07 -1.38 -2.46 116.25 116.67 1uyn h VAL 808 Ca 0.17 -1.58 -0.13 0.00 0.82 0.00 0.00 66.70 65.98 1uyn h VAL 808 Cb 0.53 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1uyn h VAL 808 CO 0.03 0.51 -0.56 -1.28 0.02 0.00 0.00 177.57 176.29 1uyn h SER 809 N 0.53 0.17 -0.14 0.57 0.87 -0.65 -2.77 113.55 112.13 1uyn h SER 809 Ca 0.04 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 1uyn h SER 809 Cb 0.93 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1uyn h SER 809 CO 0.08 0.69 -0.23 0.44 -0.53 0.00 0.00 176.83 177.29 1uyn h ASP 810 N 0.11 0.59 0.18 6.23 3.32 -0.55 -2.91 116.42 123.39 1uyn h ASP 810 Ca -0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1uyn h ASP 810 Cb 1.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1uyn h ASP 810 CO 0.08 0.81 0.00 1.23 -1.72 0.00 0.00 179.24 179.64 1uyn h GLY 811 N 1.00 0.00 2.00 2.75 0.00 -1.14 -0.70 103.07 106.97 1uyn h GLY 811 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 1uyn h GLY 811 CO 0.05 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 177.60 1uyn h LEU 812 N 0.00 0.00 0.24 3.11 3.38 -1.48 -3.37 115.31 117.18 1uyn h LEU 812 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1uyn h LEU 812 Cb 0.09 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.88 1uyn h LEU 812 CO 0.00 0.40 -1.40 0.44 0.09 0.00 0.00 178.44 177.97 1uyn h ASP 813 N 0.00 0.78 -0.51 -0.43 3.32 -1.27 -3.36 116.42 114.95 1uyn h ASP 813 Ca -0.00 -0.93 0.03 0.00 0.02 0.00 0.00 57.03 56.15 1uyn h ASP 813 Cb 1.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 1uyn h ASP 813 CO 0.05 1.67 0.34 0.45 -1.72 0.00 0.00 179.24 180.03 1uyn h HIS 814 N 0.06 0.57 -2.45 4.55 3.86 -1.72 -3.45 115.15 116.57 1uyn h HIS 814 Ca -0.25 0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.42 1uyn h HIS 814 Cb 2.09 -0.19 0.06 0.00 1.06 0.00 0.00 27.41 30.42 1uyn h HIS 814 CO 0.14 0.33 0.91 0.09 0.86 0.00 0.00 177.93 180.26 1uyn n ASN 815 N -4.47 3.54 0.00 2.45 3.02 -1.26 -4.99 115.26 113.54 1uyn n ASN 815 Ca 0.06 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1uyn n ASN 815 Cb 0.14 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 1uyn n ASN 815 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uyn n GLY 816 N 3.70 1.02 0.00 7.41 0.00 -1.26 -5.08 105.19 110.97 1uyn n GLY 816 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1uyn n GLY 816 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uyn n THR 817 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.80 114.28 109.79 1uyn n THR 817 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1uyn n THR 817 Cb 0.00 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1uyn n THR 817 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uyn n GLY 818 N 0.00 0.48 2.76 3.41 0.00 -1.26 -4.49 105.19 106.09 1uyn n GLY 818 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1uyn n GLY 818 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uyn s LEU 819 N 0.00 0.72 -0.03 0.99 0.20 -1.25 -3.02 118.68 116.29 1uyn s LEU 819 Ca 0.00 0.00 -0.04 0.00 0.69 0.00 0.00 54.13 54.79 1uyn s LEU 819 Cb 0.00 -0.22 -0.04 0.00 -0.43 0.00 0.00 46.19 45.50 1uyn s LEU 819 CO 0.00 -0.17 0.17 -0.13 -0.29 0.00 0.00 176.35 175.93 1uyn s ARG 820 N 1.57 3.43 -0.08 1.98 0.52 0.14 -0.99 118.95 125.53 1uyn s ARG 820 Ca -0.02 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1uyn s ARG 820 Cb -0.13 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 1uyn s ARG 820 CO -0.03 0.70 -0.17 0.54 0.02 0.00 0.00 175.30 176.35 1uyn s VAL 821 N -1.26 2.74 -0.06 3.52 0.11 0.31 -1.25 120.40 124.50 1uyn s VAL 821 Ca 0.25 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 1uyn s VAL 821 Cb -0.12 -2.08 0.02 0.00 -1.53 0.00 0.00 36.38 32.67 1uyn s VAL 821 CO 0.16 0.56 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.81 1uyn s ILE 822 N -0.18 0.61 -0.10 7.04 1.01 0.90 -0.51 121.20 129.97 1uyn s ILE 822 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1uyn s ILE 822 Cb -0.13 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 1uyn s ILE 822 CO 0.03 0.26 -0.19 0.00 0.00 0.00 0.00 174.94 175.05 1uyn s ALA 823 N 1.23 2.40 -0.01 9.38 0.00 -0.38 -0.56 121.76 133.82 1uyn s ALA 823 Ca -0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1uyn s ALA 823 Cb -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1uyn s ALA 823 CO -0.02 0.34 0.05 -0.65 0.00 0.00 0.00 175.76 175.48 1uyn s GLN 824 N 0.09 0.15 -0.20 0.00 -0.21 -0.08 -0.76 119.66 118.65 1uyn s GLN 824 Ca -0.09 -0.07 -0.03 0.00 0.02 0.00 0.00 55.36 55.20 1uyn s GLN 824 Cb -0.15 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.91 1uyn s GLN 824 CO 0.06 -0.02 -0.07 0.99 -2.12 0.00 0.00 175.29 174.12 1uyn s THR 825 N -0.33 3.23 -0.24 -0.19 2.01 -0.36 -1.06 115.64 118.70 1uyn s THR 825 Ca -0.04 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 1uyn s THR 825 Cb -0.03 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1uyn s THR 825 CO 0.00 0.45 0.06 -1.58 -0.69 0.00 0.00 174.62 172.86 1uyn s GLN 826 N 1.22 3.64 -0.06 4.92 0.74 -0.51 -1.66 119.66 127.95 1uyn s GLN 826 Ca 0.02 -0.49 -0.04 0.00 0.05 0.00 0.00 55.36 54.90 1uyn s GLN 826 Cb -0.14 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1uyn s GLN 826 CO -0.02 -0.17 0.16 -0.65 -0.55 0.00 0.00 175.29 174.05 1uyn s GLN 827 N 1.56 3.41 0.05 1.67 -1.52 -1.06 -1.33 119.66 122.45 1uyn s GLN 827 Ca 0.06 -0.25 0.05 0.00 -1.95 0.00 0.00 55.36 53.27 1uyn s GLN 827 Cb -0.15 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 1uyn s GLN 827 CO 0.03 0.72 -0.14 -0.51 -0.25 0.00 0.00 175.29 175.14 1uyn s ASP 828 N -1.52 1.69 -0.30 5.90 1.01 0.53 -0.59 116.67 123.39 1uyn s ASP 828 Ca 0.22 -0.53 -0.06 0.00 0.71 0.00 0.00 52.55 52.89 1uyn s ASP 828 Cb -0.12 -0.08 0.19 0.00 1.01 0.00 0.00 42.92 43.91 1uyn s ASP 828 CO 0.12 -0.01 0.85 -0.83 0.21 0.00 0.00 175.17 175.51 1uyn s GLY 829 N -1.40 -0.80 0.25 0.21 0.00 -0.14 -1.45 107.32 104.00 1uyn s GLY 829 Ca 0.00 2.09 -0.01 0.00 0.00 0.00 0.00 44.72 46.81 1uyn s GLY 829 CO 0.02 3.73 0.35 0.61 0.00 0.00 0.00 173.10 177.81 1uyn n GLY 830 N 5.38 2.45 3.41 0.20 0.00 -0.78 -0.61 105.19 115.23 1uyn n GLY 830 Ca -0.00 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 1uyn n GLY 830 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uyn s THR 831 N -2.73 2.21 -0.28 2.61 -4.23 -0.72 -2.10 115.64 110.41 1uyn s THR 831 Ca 0.22 -2.10 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 1uyn s THR 831 Cb -0.01 -2.09 0.14 0.00 1.34 0.00 0.00 72.50 71.88 1uyn s THR 831 CO 0.16 -0.26 0.59 0.86 -0.54 0.00 0.00 174.62 175.43 1uyn s TRP 832 N -2.03 -1.31 -0.39 3.99 -0.11 -0.58 -2.44 118.94 116.07 1uyn s TRP 832 Ca 0.22 1.98 -0.27 0.00 1.22 0.00 0.00 56.10 59.25 1uyn s TRP 832 Cb -0.06 0.63 0.02 0.00 -1.50 0.00 0.00 33.47 32.56 1uyn s TRP 832 CO 0.10 -0.70 1.00 -2.00 -4.62 0.00 0.00 176.95 170.73 1uyn s GLU 833 N 2.83 3.82 -0.85 5.86 2.56 -0.77 -1.25 118.70 130.91 1uyn s GLU 833 Ca 0.02 0.62 -0.01 0.00 0.00 0.00 0.00 54.97 55.60 1uyn s GLU 833 Cb -0.13 -3.83 0.21 0.00 2.00 0.00 0.00 34.13 32.38 1uyn s GLU 833 CO -0.18 -1.06 0.71 -0.65 -0.56 0.00 0.00 175.26 173.52 1uyn s GLN 834 N 3.74 3.10 -0.81 4.30 -0.21 -0.08 -4.76 119.66 124.94 1uyn s GLN 834 Ca 0.41 -3.23 -0.03 0.00 0.02 0.00 0.00 55.36 52.53 1uyn s GLN 834 Cb -0.11 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 1uyn s GLN 834 CO 0.22 -1.26 0.70 0.41 -2.12 0.00 0.00 175.29 173.24 1uyn n GLY 835 N 2.37 -0.48 0.00 3.09 0.00 -1.26 -3.74 105.19 105.17 1uyn n GLY 835 Ca 0.20 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1uyn n GLY 835 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyn n GLY 836 N -1.24 2.57 3.19 -0.02 0.00 -1.26 -5.03 105.19 103.40 1uyn n GLY 836 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1uyn n GLY 836 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uyn s VAL 837 N -2.70 2.88 0.35 1.61 1.01 -1.25 -5.10 120.40 117.20 1uyn s VAL 837 Ca 0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1uyn s VAL 837 Cb 0.00 -2.50 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 1uyn s VAL 837 CO 0.00 0.14 0.96 -0.70 0.00 0.00 0.00 175.10 175.50 1uyn s GLU 838 N 1.31 4.48 0.26 2.72 2.12 -1.26 -0.90 118.70 127.43 1uyn s GLU 838 Ca -0.01 1.33 -0.10 0.00 0.36 0.00 0.00 54.97 56.55 1uyn s GLU 838 Cb -0.17 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.53 1uyn s GLU 838 CO -0.04 0.18 0.44 0.20 -0.54 0.00 0.00 175.26 175.50 1uyn s GLY 839 N -1.68 0.81 -0.14 -1.50 0.00 -0.38 -4.38 107.32 100.05 1uyn s GLY 839 Ca 0.53 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 1uyn s GLY 839 CO 0.23 -0.79 -0.02 0.54 0.00 0.00 0.00 173.10 173.06 1uyn s LYS 840 N -3.84 1.08 -0.06 2.90 1.02 -0.75 -1.53 119.74 118.55 1uyn s LYS 840 Ca 0.26 -0.29 -0.08 0.00 0.02 0.00 0.00 55.97 55.88 1uyn s LYS 840 Cb 0.00 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 1uyn s LYS 840 CO 0.11 -0.41 0.22 0.00 -0.92 0.00 0.00 175.35 174.36 1uyn s MET 841 N 1.78 3.57 0.03 1.68 0.23 -0.89 -1.53 119.30 124.17 1uyn s MET 841 Ca 0.02 -0.02 0.02 0.00 -1.03 0.00 0.00 55.69 54.68 1uyn s MET 841 Cb -0.14 -3.17 -0.02 0.00 -1.53 0.00 0.00 34.83 29.97 1uyn s MET 841 CO -0.07 0.73 -0.06 1.03 -2.03 0.00 0.00 175.02 174.61 1uyn s ARG 842 N -1.25 0.46 -0.18 3.16 0.52 -1.00 -1.87 118.95 118.79 1uyn s ARG 842 Ca 0.20 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 54.54 1uyn s ARG 842 Cb -0.13 -0.25 0.07 0.00 0.52 0.00 0.00 34.95 35.15 1uyn s ARG 842 CO 0.09 0.05 0.71 0.20 0.02 0.00 0.00 175.30 176.37 1uyn s GLY 843 N -1.22 -0.55 -0.03 -3.53 0.00 -0.53 0.19 107.32 101.64 1uyn s GLY 843 Ca -0.08 1.75 0.02 0.00 0.00 0.00 0.00 44.72 46.40 1uyn s GLY 843 CO 0.00 1.42 -0.07 -0.45 0.00 0.00 0.00 173.10 174.01 1uyn s SER 844 N -0.28 1.02 -0.07 1.64 0.15 0.15 -0.35 113.70 115.95 1uyn s SER 844 Ca -0.04 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1uyn s SER 844 Cb -0.03 -0.37 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 1uyn s SER 844 CO 0.05 0.01 -0.01 -0.89 1.20 0.00 0.00 173.24 173.59 1uyn s THR 845 N 0.49 0.47 -0.11 6.45 2.01 -0.44 -0.97 115.64 123.54 1uyn s THR 845 Ca -0.07 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 1uyn s THR 845 Cb -0.11 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 1uyn s THR 845 CO 0.00 0.27 0.30 -1.10 -0.69 0.00 0.00 174.62 173.40 1uyn s GLN 846 N 1.85 4.01 -0.01 4.92 -1.52 -0.32 -1.42 119.66 127.17 1uyn s GLN 846 Ca 0.04 0.14 0.03 0.00 -1.95 0.00 0.00 55.36 53.62 1uyn s GLN 846 Cb -0.12 -3.33 -0.01 0.00 -0.22 0.00 0.00 33.01 29.33 1uyn s GLN 846 CO -0.05 0.46 -0.11 0.95 -0.25 0.00 0.00 175.29 176.29 1uyn s THR 847 N -0.22 0.86 0.06 -0.19 -4.23 -0.23 -1.24 115.64 110.45 1uyn s THR 847 Ca 0.18 -0.47 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1uyn s THR 847 Cb -0.14 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1uyn s THR 847 CO 0.06 0.24 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.47 1uyn s VAL 848 N -0.26 2.49 0.04 2.29 1.01 -0.57 -0.91 120.40 124.49 1uyn s VAL 848 Ca 0.04 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.40 1uyn s VAL 848 Cb -0.04 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.37 1uyn s VAL 848 CO -0.00 0.31 0.64 -0.83 0.00 0.00 0.00 175.10 175.21 1uyn s GLY 849 N -1.48 -0.59 0.16 4.51 0.00 0.28 -0.62 107.32 109.59 1uyn s GLY 849 Ca 0.14 0.93 0.10 0.00 0.00 0.00 0.00 44.72 45.89 1uyn s GLY 849 CO 0.04 0.59 -0.23 -0.26 0.00 0.00 0.00 173.10 173.24 1uyn s ILE 850 N -2.34 2.13 0.03 0.90 -4.36 -0.10 -0.07 121.20 117.39 1uyn s ILE 850 Ca -0.06 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1uyn s ILE 850 Cb -0.00 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 1uyn s ILE 850 CO -0.00 -0.12 -0.05 0.00 0.24 0.00 0.00 174.94 175.01 1uyn s ALA 851 N -1.60 0.32 -0.28 2.27 0.00 -0.38 -1.64 121.76 120.45 1uyn s ALA 851 Ca 0.17 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1uyn s ALA 851 Cb -0.08 0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.28 1uyn s ALA 851 CO 0.08 -0.13 0.99 0.00 0.00 0.00 0.00 175.76 176.69 1uyn s ALA 852 N -1.66 -1.98 -0.42 0.00 0.00 -0.31 -0.68 121.76 116.72 1uyn s ALA 852 Ca -0.12 1.94 -0.30 0.00 0.00 0.00 0.00 51.96 53.48 1uyn s ALA 852 Cb -0.08 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.51 1uyn s ALA 852 CO -0.01 -0.26 2.32 1.63 0.00 0.00 0.00 175.76 179.44 1uyn n LYS 853 N 2.45 1.22 -0.15 0.00 4.76 -1.17 -1.66 118.16 123.61 1uyn n LYS 853 Ca -0.13 0.24 0.09 0.00 -2.87 0.00 0.00 58.31 55.64 1uyn n LYS 853 Cb 0.56 -2.90 0.27 0.00 -1.84 0.00 0.00 35.03 31.13 1uyn n LYS 853 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1uyn n THR 854 N 7.64 0.41 0.00 -0.18 -1.04 -0.84 -4.98 114.28 115.29 1uyn n THR 854 Ca 0.39 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1uyn n THR 854 Cb 0.37 0.41 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1uyn n THR 854 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uyn n GLY 855 N 1.20 0.63 0.31 3.41 0.00 -1.23 -4.91 105.19 104.60 1uyn n GLY 855 Ca 0.16 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1uyn n GLY 855 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uyn h GLU 856 N 0.00 0.21 0.00 1.61 5.08 -2.02 -3.04 114.58 116.42 1uyn h GLU 856 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1uyn h GLU 856 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1uyn h GLU 856 CO 0.00 0.14 -0.04 0.09 -1.00 0.00 0.00 179.01 178.20 1uyn n ASN 857 N -4.49 1.89 -4.24 1.42 5.03 -1.26 -5.05 115.26 108.56 1uyn n ASN 857 Ca 0.03 -2.49 -0.28 0.00 0.87 0.00 0.00 54.58 52.72 1uyn n ASN 857 Cb 0.21 -0.23 -0.15 0.00 -1.02 0.00 0.00 39.78 38.59 1uyn n ASN 857 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1uyn s THR 858 N -1.80 1.70 0.01 3.41 2.01 -1.15 -1.02 115.64 118.79 1uyn s THR 858 Ca 0.16 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1uyn s THR 858 Cb 0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1uyn s THR 858 CO 0.02 0.45 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.38 1uyn s THR 859 N -0.54 0.99 0.06 -0.82 2.01 -0.39 -1.98 115.64 114.98 1uyn s THR 859 Ca 0.08 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1uyn s THR 859 Cb -0.08 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 1uyn s THR 859 CO -0.01 0.15 -0.10 0.00 -0.69 0.00 0.00 174.62 173.98 1uyn s ALA 860 N -0.51 0.86 0.01 7.40 0.00 -0.66 -1.21 121.76 127.64 1uyn s ALA 860 Ca 0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 1uyn s ALA 860 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1uyn s ALA 860 CO 0.00 0.03 0.06 0.00 0.00 0.00 0.00 175.76 175.86 1uyn s ALA 861 N -1.56 -0.13 -0.08 0.00 0.00 -0.67 -1.16 121.76 118.16 1uyn s ALA 861 Ca -0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1uyn s ALA 861 Cb -0.09 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1uyn s ALA 861 CO 0.01 -0.17 0.18 0.00 0.00 0.00 0.00 175.76 175.78 1uyn s ALA 862 N -1.26 -0.37 0.02 0.00 0.00 -0.65 -1.55 121.76 117.94 1uyn s ALA 862 Ca -0.14 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1uyn s ALA 862 Cb -0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1uyn s ALA 862 CO 0.00 -0.17 -0.05 0.99 0.00 0.00 0.00 175.76 176.53 1uyn s THR 863 N 1.19 0.36 -0.07 0.00 2.01 0.39 -0.92 115.64 118.60 1uyn s THR 863 Ca -0.09 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1uyn s THR 863 Cb -0.11 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 1uyn s THR 863 CO -0.07 -0.20 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.21 1uyn s LEU 864 N -0.90 2.05 -0.05 4.42 0.20 0.21 -0.08 118.68 124.54 1uyn s LEU 864 Ca -0.06 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.26 1uyn s LEU 864 Cb -0.06 -1.34 0.02 0.00 -0.43 0.00 0.00 46.19 44.37 1uyn s LEU 864 CO -0.00 0.19 -0.07 -0.83 -0.29 0.00 0.00 176.35 175.35 1uyn s GLY 865 N 0.09 0.55 -0.13 7.98 0.00 0.91 -1.52 107.32 115.19 1uyn s GLY 865 Ca -0.10 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1uyn s GLY 865 CO 0.06 0.25 -0.19 1.06 0.00 0.00 0.00 173.10 174.28 1uyn s MET 866 N 0.71 3.14 0.11 2.90 -1.94 -0.37 -0.58 119.30 123.26 1uyn s MET 866 Ca -0.11 -0.80 0.11 0.00 -1.71 0.00 0.00 55.69 53.17 1uyn s MET 866 Cb -0.14 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.17 1uyn s MET 866 CO 0.01 0.07 -0.27 0.20 -0.01 0.00 0.00 175.02 175.03 1uyn s GLY 867 N 0.65 1.53 -0.03 -0.03 0.00 -0.13 -1.18 107.32 108.12 1uyn s GLY 867 Ca -0.10 -1.41 -0.00 0.00 0.00 0.00 0.00 44.72 43.21 1uyn s GLY 867 CO 0.02 -1.37 0.01 -1.60 0.00 0.00 0.00 173.10 170.17 1uyn s ARG 868 N -1.84 0.22 0.08 2.90 6.06 -0.14 -1.62 118.95 124.61 1uyn s ARG 868 Ca 0.13 0.14 -0.00 0.00 -2.50 0.00 0.00 55.73 53.50 1uyn s ARG 868 Cb -0.10 -0.49 -0.04 0.00 0.06 0.00 0.00 34.95 34.38 1uyn s ARG 868 CO 0.05 -0.18 -0.02 -1.54 -2.50 0.00 0.00 175.30 171.10 1uyn s SER 869 N 1.27 0.63 0.23 -2.12 1.04 -0.09 -0.68 113.70 113.98 1uyn s SER 869 Ca -0.06 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.36 1uyn s SER 869 Cb -0.13 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1uyn s SER 869 CO -0.02 -0.59 -0.00 0.42 0.98 0.00 0.00 173.24 174.02 1uyn s THR 870 N -3.87 1.02 -0.11 2.02 -4.23 0.13 -1.34 115.64 109.26 1uyn s THR 870 Ca 0.11 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 1uyn s THR 870 Cb 0.07 -2.34 0.05 0.00 1.34 0.00 0.00 72.50 71.62 1uyn s THR 870 CO -0.07 -0.32 0.27 0.86 -0.54 0.00 0.00 174.62 174.82 1uyn s TRP 871 N -3.43 -0.37 0.19 3.99 -0.11 -0.33 -2.38 118.94 116.51 1uyn s TRP 871 Ca 0.28 0.86 0.11 0.00 1.22 0.00 0.00 56.10 58.57 1uyn s TRP 871 Cb 0.06 0.07 -0.04 0.00 -1.50 0.00 0.00 33.47 32.06 1uyn s TRP 871 CO 0.09 -0.25 -0.23 -1.12 -4.62 0.00 0.00 176.95 170.81 1uyn s SER 872 N 1.31 3.48 0.29 5.86 0.01 -0.58 -0.90 113.70 123.18 1uyn s SER 872 Ca -0.09 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.17 1uyn s SER 872 Cb -0.10 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 65.86 1uyn s SER 872 CO -0.09 0.12 0.61 -1.61 0.41 0.00 0.00 173.24 172.67 1uyn s GLU 873 N -2.69 1.77 0.23 12.44 2.02 -0.52 -1.82 118.70 130.13 1uyn s GLU 873 Ca 0.21 -1.24 -0.32 0.00 0.02 0.00 0.00 54.97 53.64 1uyn s GLU 873 Cb -0.08 0.54 -0.12 0.00 0.10 0.00 0.00 34.13 34.57 1uyn s GLU 873 CO 0.10 -0.78 1.70 -1.71 0.02 0.00 0.00 175.26 174.59 1uyn n ASN 874 N -0.66 3.96 0.00 -0.19 5.15 -1.26 -3.36 115.26 118.89 1uyn n ASN 874 Ca -0.03 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.03 1uyn n ASN 874 Cb 0.61 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.28 1uyn n ASN 874 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1uyn n SER 875 N 3.58 0.00 -3.63 1.20 7.64 -1.26 -4.94 113.62 116.21 1uyn n SER 875 Ca 0.14 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.96 1uyn n SER 875 Cb 0.35 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 1uyn n SER 875 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uyn s ALA 876 N -3.05 -2.07 0.27 -0.43 0.00 -1.21 0.31 121.76 115.57 1uyn s ALA 876 Ca 0.00 1.76 -0.02 0.00 0.00 0.00 0.00 51.96 53.71 1uyn s ALA 876 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1uyn s ALA 876 CO 0.00 -0.20 0.30 0.54 0.00 0.00 0.00 175.76 176.40 1uyn s ASN 877 N -0.24 0.61 -0.14 0.00 6.03 -0.37 -1.44 114.94 119.39 1uyn s ASN 877 Ca 0.05 -1.41 -0.11 0.00 -1.03 0.00 0.00 52.86 50.36 1uyn s ASN 877 Cb -0.04 0.52 0.04 0.00 -3.03 0.00 0.00 41.25 38.74 1uyn s ASN 877 CO -0.08 -1.04 0.37 0.00 -2.03 0.00 0.00 177.10 174.31 1uyn s ALA 878 N -3.74 -0.92 -0.10 3.54 0.00 -0.08 -1.37 121.76 119.09 1uyn s ALA 878 Ca 0.35 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.55 1uyn s ALA 878 Cb 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1uyn s ALA 878 CO 0.17 -0.21 -0.23 -1.59 0.00 0.00 0.00 175.76 173.90 1uyn s LYS 879 N 0.73 2.99 -0.22 0.00 -2.85 0.11 -1.19 119.74 119.30 1uyn s LYS 879 Ca -0.04 -0.86 -0.08 0.00 -1.00 0.00 0.00 55.97 53.99 1uyn s LYS 879 Cb -0.05 -2.26 -0.04 0.00 -2.06 0.00 0.00 37.83 33.41 1uyn s LYS 879 CO -0.05 0.17 0.08 0.99 0.10 0.00 0.00 175.35 176.64 1uyn s THR 880 N 0.37 4.74 -0.07 3.79 2.01 -0.45 -0.29 115.64 125.74 1uyn s THR 880 Ca -0.18 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 1uyn s THR 880 Cb -0.18 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1uyn s THR 880 CO 0.08 0.39 0.05 -1.81 -0.69 0.00 0.00 174.62 172.65 1uyn s ASP 881 N 0.93 5.59 -0.02 3.53 1.01 -0.24 -0.91 116.67 126.56 1uyn s ASP 881 Ca 0.05 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.43 1uyn s ASP 881 Cb -0.14 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.17 1uyn s ASP 881 CO 0.03 0.35 0.19 -0.94 0.21 0.00 0.00 175.17 175.01 1uyn s SER 882 N -1.16 -0.08 -0.08 0.27 1.04 -0.64 -1.01 113.70 112.05 1uyn s SER 882 Ca 0.16 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1uyn s SER 882 Cb -0.12 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1uyn s SER 882 CO 0.06 -0.30 -0.06 -0.63 0.98 0.00 0.00 173.24 173.29 1uyn s ILE 883 N -0.95 0.77 -0.02 -1.02 1.01 -0.77 -0.95 121.20 119.26 1uyn s ILE 883 Ca -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1uyn s ILE 883 Cb -0.05 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1uyn s ILE 883 CO 0.02 0.30 0.06 -0.44 0.00 0.00 0.00 174.94 174.87 1uyn s SER 884 N 1.34 -0.06 -0.18 3.58 0.01 0.25 -0.89 113.70 117.75 1uyn s SER 884 Ca -0.03 0.11 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 1uyn s SER 884 Cb -0.14 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 1uyn s SER 884 CO -0.03 -0.02 0.07 -0.22 0.41 0.00 0.00 173.24 173.45 1uyn s LEU 885 N 0.06 3.87 -0.03 2.44 2.96 -0.05 -0.07 118.68 127.87 1uyn s LEU 885 Ca -0.00 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 1uyn s LEU 885 Cb -0.01 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1uyn s LEU 885 CO -0.00 0.18 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.66 1uyn s PHE 886 N 0.34 2.56 0.03 5.38 0.40 0.89 -1.74 117.98 125.83 1uyn s PHE 886 Ca 0.04 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1uyn s PHE 886 Cb -0.12 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 1uyn s PHE 886 CO -0.00 0.11 -0.08 0.00 0.70 0.00 0.00 175.22 175.96 1uyn s ALA 887 N -0.71 0.59 -0.06 5.36 0.00 0.72 -0.46 121.76 127.20 1uyn s ALA 887 Ca 0.11 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1uyn s ALA 887 Cb -0.10 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1uyn s ALA 887 CO 0.00 0.02 0.20 0.20 0.00 0.00 0.00 175.76 176.19 1uyn s GLY 888 N -1.25 -0.12 0.02 0.00 0.00 -0.60 -0.95 107.32 104.43 1uyn s GLY 888 Ca -0.07 0.45 0.06 0.00 0.00 0.00 0.00 44.72 45.17 1uyn s GLY 888 CO 0.00 0.36 -0.19 -1.50 0.00 0.00 0.00 173.10 171.77 1uyn s ILE 889 N -0.22 1.48 -0.12 0.90 2.07 0.47 -1.68 121.20 124.11 1uyn s ILE 889 Ca -0.03 -1.02 -0.00 0.00 -1.41 0.00 0.00 60.65 58.18 1uyn s ILE 889 Cb -0.03 -1.28 0.03 0.00 0.13 0.00 0.00 42.46 41.31 1uyn s ILE 889 CO 0.01 0.23 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.60 1uyn s ARG 890 N -0.92 1.51 -0.24 3.50 3.52 -0.35 -0.89 118.95 125.09 1uyn s ARG 890 Ca 0.06 -0.30 -0.09 0.00 -0.13 0.00 0.00 55.73 55.28 1uyn s ARG 890 Cb -0.08 -1.66 -0.04 0.00 -1.56 0.00 0.00 34.95 31.61 1uyn s ARG 890 CO 0.01 -0.29 0.12 -1.58 -0.81 0.00 0.00 175.30 172.74 1uyn s HIS 891 N 1.70 3.21 -0.03 5.12 5.65 0.63 -1.26 115.29 130.31 1uyn s HIS 891 Ca 0.04 -0.02 -0.18 0.00 0.25 0.00 0.00 55.06 55.15 1uyn s HIS 891 Cb -0.13 -2.23 -0.05 0.00 -1.18 0.00 0.00 32.58 28.98 1uyn s HIS 891 CO -0.08 -0.08 0.50 -0.51 -0.65 0.00 0.00 174.74 173.91 1uyn s ASP 892 N 1.19 6.84 -0.84 9.88 1.01 -0.19 -0.20 116.67 134.36 1uyn s ASP 892 Ca 0.06 1.00 -0.17 0.00 0.71 0.00 0.00 52.55 54.14 1uyn s ASP 892 Cb -0.14 -2.30 0.16 0.00 1.01 0.00 0.00 42.92 41.64 1uyn s ASP 892 CO 0.05 0.16 0.94 0.00 0.21 0.00 0.00 175.17 176.52 1uyn s ALA 893 N -0.30 3.61 0.00 5.23 0.00 -0.29 -4.86 121.76 125.16 1uyn s ALA 893 Ca 0.27 -2.86 0.00 0.00 0.00 0.00 0.00 51.96 49.37 1uyn s ALA 893 Cb -0.17 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1uyn s ALA 893 CO 0.14 -2.64 0.00 0.41 0.00 0.00 0.00 175.76 173.67 1uyn n GLY 894 N 4.94 2.48 0.90 0.00 0.00 -1.26 -1.55 105.19 110.69 1uyn n GLY 894 Ca 0.15 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1uyn n GLY 894 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uyn n ASP 895 N 0.95 2.76 -0.07 1.61 8.00 -1.26 -4.46 116.55 124.08 1uyn n ASP 895 Ca 0.00 -1.89 0.13 0.00 0.71 0.00 0.00 54.79 53.74 1uyn n ASP 895 Cb 0.00 -0.10 0.35 0.00 -0.02 0.00 0.00 41.12 41.35 1uyn n ASP 895 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1uyn n ILE 896 N 1.09 0.00 -0.54 0.53 -5.35 -0.60 -4.78 119.36 109.72 1uyn n ILE 896 Ca 0.17 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 1uyn n ILE 896 Cb 0.53 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1uyn n ILE 896 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uyn n GLY 897 N 1.44 -0.74 3.70 3.28 0.00 -1.24 -3.92 105.19 107.70 1uyn n GLY 897 Ca 0.08 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 1uyn n GLY 897 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uyn s TYR 898 N -1.77 -0.02 0.05 1.61 -0.85 0.70 -1.14 117.35 115.93 1uyn s TYR 898 Ca 0.00 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.24 1uyn s TYR 898 Cb 0.00 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 1uyn s TYR 898 CO 0.00 -1.09 -0.22 -0.48 -1.52 0.00 0.00 175.55 172.24 1uyn s LEU 899 N -2.94 2.17 -0.07 -3.49 0.05 0.72 -1.34 118.68 113.79 1uyn s LEU 899 Ca 0.14 -0.54 0.05 0.00 0.05 0.00 0.00 54.13 53.83 1uyn s LEU 899 Cb -0.03 -1.06 -0.01 0.00 -2.05 0.00 0.00 46.19 43.04 1uyn s LEU 899 CO 0.05 0.18 -0.23 -0.54 -0.55 0.00 0.00 176.35 175.27 1uyn s LYS 900 N -1.21 2.65 -0.11 1.48 1.02 0.68 -0.26 119.74 123.98 1uyn s LYS 900 Ca 0.09 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.18 1uyn s LYS 900 Cb -0.09 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1uyn s LYS 900 CO 0.02 0.38 -0.00 0.20 -0.92 0.00 0.00 175.35 175.02 1uyn s GLY 901 N -0.14 1.82 0.02 -3.33 0.00 -0.06 -1.37 107.32 104.25 1uyn s GLY 901 Ca -0.04 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 43.93 1uyn s GLY 901 CO 0.04 -0.37 -0.15 1.08 0.00 0.00 0.00 173.10 173.70 1uyn s LEU 902 N -0.40 2.12 -0.03 0.66 1.43 -0.46 -0.40 118.68 121.60 1uyn s LEU 902 Ca 0.07 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1uyn s LEU 902 Cb -0.12 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.40 1uyn s LEU 902 CO 0.02 0.10 0.18 0.12 0.23 0.00 0.00 176.35 177.00 1uyn s PHE 903 N -0.68 -0.10 -0.05 0.29 5.36 -0.12 -1.07 117.98 121.61 1uyn s PHE 903 Ca 0.04 0.21 -0.15 0.00 -0.96 0.00 0.00 56.93 56.07 1uyn s PHE 903 Cb -0.07 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.66 1uyn s PHE 903 CO 0.01 -0.22 0.34 -1.54 -1.46 0.00 0.00 175.22 172.35 1uyn s SER 904 N -0.71 -0.26 -0.07 6.13 1.04 -0.32 -0.20 113.70 119.31 1uyn s SER 904 Ca -0.08 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1uyn s SER 904 Cb -0.05 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.55 1uyn s SER 904 CO 0.01 -0.35 0.00 -0.47 0.98 0.00 0.00 173.24 173.42 1uyn s TYR 905 N -0.85 0.63 0.12 5.02 6.14 -0.71 -1.70 117.35 126.00 1uyn s TYR 905 Ca -0.09 -0.14 0.01 0.00 0.64 0.00 0.00 57.07 57.49 1uyn s TYR 905 Cb -0.04 -0.78 -0.04 0.00 0.42 0.00 0.00 41.96 41.52 1uyn s TYR 905 CO 0.03 -0.32 -0.03 0.20 0.64 0.00 0.00 175.55 176.07 1uyn s GLY 906 N 1.95 0.89 0.14 8.97 0.00 -0.60 -0.87 107.32 117.81 1uyn s GLY 906 Ca 0.04 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.42 1uyn s GLY 906 CO -0.05 -1.46 -0.08 0.50 0.00 0.00 0.00 173.10 172.01 1uyn s ARG 907 N -3.88 2.14 0.03 2.90 1.81 -0.07 -1.26 118.95 120.62 1uyn s ARG 907 Ca 0.16 -1.12 -0.01 0.00 -1.72 0.00 0.00 55.73 53.04 1uyn s ARG 907 Cb 0.06 -2.26 -0.02 0.00 -0.45 0.00 0.00 34.95 32.27 1uyn s ARG 907 CO -0.02 0.47 -0.02 1.52 -0.68 0.00 0.00 175.30 176.58 1uyn s TYR 908 N -1.46 0.33 -0.09 -0.53 -0.85 -0.57 -1.84 117.35 112.34 1uyn s TYR 908 Ca 0.24 -0.69 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 1uyn s TYR 908 Cb -0.10 -0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.02 1uyn s TYR 908 CO 0.15 -0.27 -0.07 0.21 -1.52 0.00 0.00 175.55 174.05 1uyn s LYS 909 N -2.31 1.35 -0.21 -3.49 2.20 -0.18 -1.68 119.74 115.43 1uyn s LYS 909 Ca -0.08 -0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.25 1uyn s LYS 909 Cb -0.04 -1.36 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 1uyn s LYS 909 CO -0.04 -0.18 0.02 -0.80 -0.36 0.00 0.00 175.35 173.99 1uyn s ASN 910 N 1.39 4.98 -0.23 1.43 0.01 -0.02 -1.07 114.94 121.41 1uyn s ASN 910 Ca -0.02 -0.17 -0.07 0.00 -0.71 0.00 0.00 52.86 51.89 1uyn s ASN 910 Cb -0.14 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 1uyn s ASN 910 CO -0.04 0.06 0.07 -0.44 -1.51 0.00 0.00 177.10 175.23 1uyn s SER 911 N 1.06 5.22 -0.08 -1.22 0.01 0.60 -1.51 113.70 117.78 1uyn s SER 911 Ca 0.03 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1uyn s SER 911 Cb -0.14 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 1uyn s SER 911 CO 0.02 0.01 -0.12 -0.63 0.41 0.00 0.00 173.24 172.93 1uyn s ILE 912 N 1.36 3.20 -0.04 1.44 1.09 0.41 -0.72 121.20 127.94 1uyn s ILE 912 Ca 0.05 -0.65 0.06 0.00 -1.10 0.00 0.00 60.65 59.01 1uyn s ILE 912 Cb -0.15 -2.30 -0.01 0.00 -1.06 0.00 0.00 42.46 38.94 1uyn s ILE 912 CO 0.04 0.56 -0.22 -0.94 -0.10 0.00 0.00 174.94 174.28 1uyn s SER 913 N -0.32 2.68 -0.08 3.58 1.04 -0.47 -1.24 113.70 118.89 1uyn s SER 913 Ca 0.03 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 1uyn s SER 913 Cb -0.13 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.47 1uyn s SER 913 CO 0.03 0.24 -0.04 0.00 0.98 0.00 0.00 173.24 174.45 1uyn s ARG 914 N -0.28 1.01 -0.06 4.02 1.70 -0.65 -1.24 118.95 123.46 1uyn s ARG 914 Ca 0.02 -0.07 -0.36 0.00 -0.47 0.00 0.00 55.73 54.84 1uyn s ARG 914 Cb -0.11 -1.18 -0.14 0.00 -0.57 0.00 0.00 34.95 32.94 1uyn s ARG 914 CO 0.01 -0.24 1.68 -1.13 -1.08 0.00 0.00 175.30 174.54 1uyn n SER 915 N 4.84 2.74 -0.02 -2.89 3.41 0.15 -1.60 113.62 120.25 1uyn n SER 915 Ca -0.12 1.05 0.02 0.00 -0.26 0.00 0.00 58.87 59.55 1uyn n SER 915 Cb 0.50 -1.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.15 1uyn n SER 915 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1uyn n THR 916 N 4.14 0.00 -1.20 6.66 5.66 -0.23 -4.83 114.28 124.48 1uyn n THR 916 Ca 0.22 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1uyn n THR 916 Cb 0.23 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 1uyn n THR 916 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1uyn n GLY 917 N 0.96 1.88 3.42 1.09 0.00 -1.19 -5.00 105.19 106.35 1uyn n GLY 917 Ca 0.01 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1uyn n GLY 917 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uyn s ALA 918 N -1.00 3.44 -1.20 4.61 0.00 -1.26 -4.10 121.76 122.24 1uyn s ALA 918 Ca 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 51.96 49.33 1uyn s ALA 918 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1uyn s ALA 918 CO 0.00 -2.72 1.03 -0.40 0.00 0.00 0.00 175.76 173.67 1uyn n ASP 919 N 6.33 -4.01 -3.89 0.00 5.68 -1.26 -5.03 116.55 114.37 1uyn n ASP 919 Ca 0.11 -0.55 -0.22 0.00 -0.50 0.00 0.00 54.79 53.64 1uyn n ASP 919 Cb 0.47 -4.82 -0.17 0.00 -1.14 0.00 0.00 41.12 35.46 1uyn n ASP 919 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1uyn s GLU 920 N -5.74 0.99 0.13 0.11 2.12 -1.26 -5.10 118.70 109.94 1uyn s GLU 920 Ca 0.27 -0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.55 1uyn s GLU 920 Cb -0.12 -1.03 -0.04 0.00 0.26 0.00 0.00 34.13 33.21 1uyn s GLU 920 CO 0.69 -0.13 -0.18 -1.01 -0.54 0.00 0.00 175.26 174.09 1uyn s HIS 921 N 1.17 1.70 -0.15 5.30 3.76 -1.26 -1.06 115.29 124.74 1uyn s HIS 921 Ca -0.07 -0.46 -0.06 0.00 -0.15 0.00 0.00 55.06 54.32 1uyn s HIS 921 Cb -0.14 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 32.62 1uyn s HIS 921 CO -0.01 0.23 0.05 0.00 -0.85 0.00 0.00 174.74 174.16 1uyn s ALA 922 N -1.63 3.42 -0.07 -1.40 0.00 -0.63 -4.26 121.76 117.19 1uyn s ALA 922 Ca 0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1uyn s ALA 922 Cb -0.08 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1uyn s ALA 922 CO 0.05 0.33 0.00 -1.21 0.00 0.00 0.00 175.76 174.93 1uyn s GLU 923 N -0.09 2.94 -0.09 0.00 0.41 -0.91 -1.63 118.70 119.34 1uyn s GLU 923 Ca 0.06 -0.45 -0.10 0.00 -0.41 0.00 0.00 54.97 54.08 1uyn s GLU 923 Cb -0.12 -2.77 0.02 0.00 -1.78 0.00 0.00 34.13 29.48 1uyn s GLU 923 CO 0.01 0.69 0.26 0.20 -0.49 0.00 0.00 175.26 175.93 1uyn s GLY 924 N -1.04 -0.18 -0.05 -1.39 0.00 -0.37 -1.30 107.32 102.99 1uyn s GLY 924 Ca 0.15 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.53 1uyn s GLY 924 CO 0.04 0.54 -0.03 -0.45 0.00 0.00 0.00 173.10 173.20 1uyn s SER 925 N -0.09 1.17 0.00 1.64 0.15 -1.26 -0.45 113.70 114.86 1uyn s SER 925 Ca -0.02 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1uyn s SER 925 Cb -0.03 -0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1uyn s SER 925 CO 0.01 -0.09 -0.02 0.54 1.20 0.00 0.00 173.24 174.88 1uyn s VAL 926 N 1.22 0.11 0.08 4.45 0.11 -0.57 -4.62 120.40 121.18 1uyn s VAL 926 Ca -0.06 -0.16 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1uyn s VAL 926 Cb -0.14 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1uyn s VAL 926 CO -0.02 -0.04 0.01 0.20 -3.33 0.00 0.00 175.10 171.92 1uyn s ASN 927 N -0.21 5.08 0.32 3.54 0.02 -1.26 -0.84 114.94 121.59 1uyn s ASN 927 Ca -0.01 -0.14 -0.01 0.00 -1.02 0.00 0.00 52.86 51.68 1uyn s ASN 927 Cb -0.02 -1.24 -0.01 0.00 0.02 0.00 0.00 41.25 40.01 1uyn s ASN 927 CO -0.00 0.19 0.40 -0.83 0.02 0.00 0.00 177.10 176.88 1uyn s GLY 928 N -2.20 1.64 -0.02 0.66 0.00 -0.68 -1.24 107.32 105.47 1uyn s GLY 928 Ca 0.25 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.38 1uyn s GLY 928 CO 0.17 -1.12 -0.13 -1.59 0.00 0.00 0.00 173.10 170.43 1uyn s THR 929 N -3.28 1.08 -0.09 0.90 2.01 0.12 -1.51 115.64 114.88 1uyn s THR 929 Ca 0.33 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1uyn s THR 929 Cb 0.01 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.61 1uyn s THR 929 CO 0.21 0.32 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.09 1uyn s LEU 930 N -0.10 1.67 0.03 4.42 2.96 -0.39 -0.62 118.68 126.65 1uyn s LEU 930 Ca 0.01 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1uyn s LEU 930 Cb -0.08 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.60 1uyn s LEU 930 CO 0.00 0.02 -0.18 -0.04 -1.32 0.00 0.00 176.35 174.84 1uyn s MET 931 N 0.87 2.13 0.02 1.98 -1.94 0.47 -1.55 119.30 121.28 1uyn s MET 931 Ca -0.10 -0.94 0.07 0.00 -1.71 0.00 0.00 55.69 53.01 1uyn s MET 931 Cb -0.15 -2.20 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 1uyn s MET 931 CO 0.01 0.55 -0.20 -0.65 -0.01 0.00 0.00 175.02 174.72 1uyn s GLN 932 N -1.31 1.45 -0.03 2.03 -0.21 -0.69 -0.98 119.66 119.92 1uyn s GLN 932 Ca 0.14 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.70 1uyn s GLN 932 Cb -0.10 -1.50 -0.00 0.00 1.00 0.00 0.00 33.01 32.40 1uyn s GLN 932 CO 0.04 0.39 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.96 1uyn s LEU 933 N -0.93 1.89 0.01 2.90 1.43 -0.54 -1.17 118.68 122.27 1uyn s LEU 933 Ca 0.07 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1uyn s LEU 933 Cb -0.08 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 1uyn s LEU 933 CO 0.01 0.13 -0.05 -0.83 0.23 0.00 0.00 176.35 175.84 1uyn s GLY 934 N 0.04 0.27 -0.06 -3.19 0.00 -0.23 0.07 107.32 104.22 1uyn s GLY 934 Ca -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1uyn s GLY 934 CO 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 173.10 172.80 1uyn s ALA 935 N -0.45 0.56 0.02 3.20 0.00 -0.73 -1.36 121.76 123.00 1uyn s ALA 935 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1uyn s ALA 935 Cb -0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1uyn s ALA 935 CO -0.00 -0.36 -0.13 -0.51 0.00 0.00 0.00 175.76 174.76 1uyn s LEU 936 N 1.75 2.13 -0.02 0.00 1.43 -0.47 -1.64 118.68 121.86 1uyn s LEU 936 Ca 0.01 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1uyn s LEU 936 Cb -0.13 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 1uyn s LEU 936 CO -0.04 0.05 -0.14 -0.83 0.23 0.00 0.00 176.35 175.63 1uyn s GLY 937 N -0.90 1.59 -0.00 -3.19 0.00 -0.31 -0.23 107.32 104.28 1uyn s GLY 937 Ca 0.02 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1uyn s GLY 937 CO 0.01 -0.87 -0.10 -0.32 0.00 0.00 0.00 173.10 171.82 1uyn s GLY 938 N -1.05 0.48 0.28 0.20 0.00 -0.45 -1.78 107.32 104.99 1uyn s GLY 938 Ca 0.13 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 44.48 1uyn s GLY 938 CO 0.03 -0.38 0.27 -1.34 0.00 0.00 0.00 173.10 171.68 1uyn s VAL 939 N -0.31 4.27 -0.33 1.40 -7.23 -0.66 -0.21 120.40 117.33 1uyn s VAL 939 Ca 0.03 -1.29 0.13 0.00 -1.81 0.00 0.00 61.98 59.04 1uyn s VAL 939 Cb -0.04 -3.41 0.46 0.00 0.56 0.00 0.00 36.38 33.95 1uyn s VAL 939 CO -0.00 -0.28 1.08 -3.20 -0.31 0.00 0.00 175.10 172.39 1uyn n ASN 940 N -1.31 3.12 -4.67 4.85 2.85 -1.25 -1.79 115.26 117.04 1uyn n ASN 940 Ca -0.06 -3.05 -0.43 0.00 -0.11 0.00 0.00 54.58 50.94 1uyn n ASN 940 Cb 0.58 -0.46 -0.03 0.00 1.24 0.00 0.00 39.78 41.11 1uyn n ASN 940 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1uyn n VAL 941 N -0.44 0.62 0.00 3.44 3.14 -0.25 -4.70 118.33 120.14 1uyn n VAL 941 Ca 0.24 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1uyn n VAL 941 Cb 0.81 -2.22 0.00 0.00 -1.06 0.00 0.00 33.84 31.37 1uyn n VAL 941 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1uyn n PRO 942 N 6.81 1.32 -2.91 1.45 -0.04 -1.26 0.10 135.00 140.47 1uyn n PRO 942 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1uyn n PRO 942 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1uyn n PRO 942 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1uyn n THR 946 N -1.18 -1.74 0.00 0.52 -1.04 -1.26 -4.76 114.28 104.82 1uyn n THR 946 Ca 0.00 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1uyn n THR 946 Cb 0.00 -2.67 0.00 0.00 -1.82 0.00 0.00 70.33 65.84 1uyn n THR 946 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uyn n GLY 947 N 1.29 0.00 3.14 3.41 0.00 -1.26 -4.98 105.19 106.79 1uyn n GLY 947 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1uyn n GLY 947 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uyn s ASP 948 N 0.00 3.70 -0.39 1.61 2.15 0.65 -5.00 116.67 119.38 1uyn s ASP 948 Ca 0.00 -0.81 -0.14 0.00 0.43 0.00 0.00 52.55 52.03 1uyn s ASP 948 Cb 0.00 -1.55 0.02 0.00 -0.30 0.00 0.00 42.92 41.09 1uyn s ASP 948 CO 0.00 -0.06 0.27 -0.22 -0.17 0.00 0.00 175.17 174.99 1uyn s LEU 949 N 1.28 4.94 -0.17 -1.34 2.96 0.12 -0.22 118.68 126.23 1uyn s LEU 949 Ca 0.02 -0.84 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 1uyn s LEU 949 Cb -0.15 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1uyn s LEU 949 CO -0.09 -0.40 0.08 0.42 -1.32 0.00 0.00 176.35 175.04 1uyn s THR 950 N 1.66 4.95 -0.12 3.68 -4.23 -0.35 -1.09 115.64 120.14 1uyn s THR 950 Ca 0.05 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1uyn s THR 950 Cb -0.19 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 1uyn s THR 950 CO 0.09 0.48 0.06 -0.69 -0.54 0.00 0.00 174.62 174.03 1uyn s VAL 951 N 0.13 4.78 -0.09 2.29 1.01 -0.74 -1.40 120.40 126.38 1uyn s VAL 951 Ca 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1uyn s VAL 951 Cb -0.12 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1uyn s VAL 951 CO 0.00 0.57 0.24 -0.70 0.00 0.00 0.00 175.10 175.20 1uyn s GLU 952 N -0.54 0.27 -0.20 2.72 2.12 -0.65 -1.65 118.70 120.77 1uyn s GLU 952 Ca 0.10 0.33 -0.28 0.00 0.36 0.00 0.00 54.97 55.49 1uyn s GLU 952 Cb -0.12 0.13 0.11 0.00 0.26 0.00 0.00 34.13 34.51 1uyn s GLU 952 CO 0.02 -0.04 0.91 0.20 -0.54 0.00 0.00 175.26 175.81 1uyn s GLY 953 N 0.15 -0.33 0.00 -1.50 0.00 -0.73 -0.77 107.32 104.14 1uyn s GLY 953 Ca -0.00 2.13 0.00 0.00 0.00 0.00 0.00 44.72 46.85 1uyn s GLY 953 CO 0.00 1.42 0.00 0.61 0.00 0.00 0.00 173.10 175.13 1uyn n GLY 954 N 1.61 -0.86 3.16 0.20 0.00 -0.69 -1.16 105.19 107.46 1uyn n GLY 954 Ca -0.13 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1uyn n GLY 954 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uyn s LEU 955 N 0.00 2.38 -0.04 0.99 1.43 -0.65 -2.24 118.68 120.55 1uyn s LEU 955 Ca 0.00 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1uyn s LEU 955 Cb 0.00 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.93 1uyn s LEU 955 CO 0.00 -0.24 -0.05 -0.60 0.23 0.00 0.00 176.35 175.69 1uyn s ARG 956 N -2.57 0.90 -0.23 1.70 3.52 -0.27 -1.78 118.95 120.23 1uyn s ARG 956 Ca 0.03 -0.14 -0.07 0.00 -0.13 0.00 0.00 55.73 55.42 1uyn s ARG 956 Cb -0.04 -0.87 -0.03 0.00 -1.56 0.00 0.00 34.95 32.45 1uyn s ARG 956 CO 0.00 -0.05 0.05 -0.47 -0.81 0.00 0.00 175.30 174.02 1uyn s TYR 957 N 0.81 3.09 -0.25 5.12 5.04 0.11 -0.82 117.35 130.46 1uyn s TYR 957 Ca -0.11 -0.36 -0.08 0.00 -2.44 0.00 0.00 57.07 54.07 1uyn s TYR 957 Cb -0.14 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 1uyn s TYR 957 CO 0.01 -0.26 0.10 -0.51 -1.34 0.00 0.00 175.55 173.54 1uyn s ASP 958 N 1.30 5.40 -0.26 4.32 1.01 -0.01 -1.47 116.67 126.96 1uyn s ASP 958 Ca 0.05 -0.13 -0.05 0.00 0.71 0.00 0.00 52.55 53.13 1uyn s ASP 958 Cb -0.15 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1uyn s ASP 958 CO 0.03 -0.02 0.02 -0.22 0.21 0.00 0.00 175.17 175.20 1uyn s LEU 959 N 1.52 3.46 -0.20 1.23 2.96 -0.16 -0.52 118.68 126.98 1uyn s LEU 959 Ca 0.06 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1uyn s LEU 959 Cb -0.15 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 1uyn s LEU 959 CO 0.05 -0.12 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.65 1uyn s LEU 960 N 1.47 2.72 -0.23 -0.68 2.96 -0.51 -0.40 118.68 124.01 1uyn s LEU 960 Ca 0.03 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1uyn s LEU 960 Cb -0.16 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1uyn s LEU 960 CO -0.00 0.01 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.49 1uyn s LYS 961 N 1.27 3.41 -0.11 1.98 -0.14 0.21 -0.51 119.74 125.86 1uyn s LYS 961 Ca 0.03 -0.61 0.02 0.00 -1.36 0.00 0.00 55.97 54.05 1uyn s LYS 961 Cb -0.14 -3.09 -0.01 0.00 -1.68 0.00 0.00 37.83 32.90 1uyn s LYS 961 CO -0.04 -0.21 -0.17 -1.14 -0.76 0.00 0.00 175.35 173.03 1uyn s GLN 962 N 1.51 3.12 0.81 1.68 0.74 0.14 0.12 119.66 127.78 1uyn s GLN 962 Ca 0.06 -0.75 -0.11 0.00 0.05 0.00 0.00 55.36 54.61 1uyn s GLN 962 Cb -0.15 -2.49 0.08 0.00 1.10 0.00 0.00 33.01 31.56 1uyn s GLN 962 CO -0.02 0.28 1.11 -0.51 -0.55 0.00 0.00 175.29 175.61 1uyn s ASP 963 N 0.15 4.00 0.72 6.67 1.01 -0.37 -0.66 116.67 128.19 1uyn s ASP 963 Ca -0.09 1.97 -0.16 0.00 0.71 0.00 0.00 52.55 54.98 1uyn s ASP 963 Cb -0.15 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.27 1uyn s ASP 963 CO 0.05 -2.38 1.23 0.00 0.21 0.00 0.00 175.17 174.29 1uyn s ALA 964 N -2.77 2.13 0.28 5.23 0.00 -1.26 -4.38 121.76 120.98 1uyn s ALA 964 Ca 0.64 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 53.44 1uyn s ALA 964 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1uyn s ALA 964 CO 0.56 -1.89 0.53 -0.59 0.00 0.00 0.00 175.76 174.37 1uyn s PHE 965 N -1.84 0.37 -0.11 0.00 -0.71 -0.05 -4.80 117.98 110.83 1uyn s PHE 965 Ca 0.77 -0.75 -0.14 0.00 -1.04 0.00 0.00 56.93 55.77 1uyn s PHE 965 Cb -0.32 0.27 0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1uyn s PHE 965 CO 0.45 -1.09 0.37 0.00 -1.34 0.00 0.00 175.22 173.60 1uyn s ALA 966 N -3.74 -0.92 0.05 1.99 0.00 -1.26 -0.80 121.76 117.08 1uyn s ALA 966 Ca 0.22 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 1uyn s ALA 966 Cb -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1uyn s ALA 966 CO 0.10 -0.20 0.87 -1.21 0.00 0.00 0.00 175.76 175.33 1uyn s GLU 967 N -0.18 4.58 0.53 0.00 2.02 0.04 -4.45 118.70 121.24 1uyn s GLU 967 Ca -0.03 1.26 0.01 0.00 0.02 0.00 0.00 54.97 56.23 1uyn s GLU 967 Cb -0.03 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.83 1uyn s GLU 967 CO 0.02 0.17 0.76 -1.59 0.02 0.00 0.00 175.26 174.64 1uyn s LYS 968 N 0.25 2.67 0.00 1.61 -2.85 -0.42 -4.52 119.74 116.48 1uyn s LYS 968 Ca 0.44 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 1uyn s LYS 968 Cb -0.21 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.07 1uyn s LYS 968 CO 0.26 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 175.50 1uyn n GLY 969 N -2.30 1.13 3.01 0.59 0.00 -1.26 -2.13 105.19 104.22 1uyn n GLY 969 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1uyn n GLY 969 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uyn s SER 970 N -2.97 0.53 0.22 1.61 0.15 -1.26 -4.76 113.70 107.22 1uyn s SER 970 Ca 0.00 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 56.45 1uyn s SER 970 Cb 0.00 0.05 0.85 0.00 -1.71 0.00 0.00 66.02 65.21 1uyn s SER 970 CO 0.00 -0.21 1.77 0.00 1.20 0.00 0.00 173.24 176.00 1uyn n ALA 971 N 1.74 2.17 -2.26 5.45 0.00 -1.26 -2.52 120.51 123.83 1uyn n ALA 971 Ca -0.22 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1uyn n ALA 971 Cb 0.55 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1uyn n ALA 971 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1uyn n LEU 972 N -2.26 5.36 -4.84 0.00 -0.00 -1.26 -5.04 117.00 108.95 1uyn n LEU 972 Ca 0.05 -5.04 -0.32 0.00 -0.00 0.00 0.00 56.01 50.70 1uyn n LEU 972 Cb 0.39 -0.57 -0.06 0.00 -0.00 0.00 0.00 43.42 43.19 1uyn n LEU 972 CO 0.28 2.10 0.54 -0.83 -0.00 0.00 0.00 177.39 179.48 1uyn s GLY 973 N -3.06 2.26 0.00 1.47 0.00 -1.05 -5.03 107.32 101.92 1uyn s GLY 973 Ca 0.50 0.14 0.08 0.00 0.00 0.00 0.00 44.72 45.44 1uyn s GLY 973 CO -0.18 0.38 -0.23 0.86 0.00 0.00 0.00 173.10 173.92 1uyn s TRP 974 N -2.20 2.06 0.18 1.90 -0.00 -1.26 -4.91 118.94 114.71 1uyn s TRP 974 Ca 0.57 -0.39 0.10 0.00 -0.00 0.00 0.00 56.10 56.37 1uyn s TRP 974 Cb -0.10 -1.29 -0.04 0.00 -0.00 0.00 0.00 33.47 32.04 1uyn s TRP 974 CO 0.20 0.02 -0.14 -1.54 -0.00 0.00 0.00 176.95 175.49 1uyn s SER 975 N -0.78 4.01 0.01 5.86 1.04 -1.26 -0.78 113.70 121.80 1uyn s SER 975 Ca 0.09 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 55.87 1uyn s SER 975 Cb -0.09 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.44 1uyn s SER 975 CO 0.00 0.11 -0.00 -0.83 0.98 0.00 0.00 173.24 173.50 1uyn s GLY 976 N -2.74 0.09 0.66 7.32 0.00 0.02 -4.27 107.32 108.40 1uyn s GLY 976 Ca 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.63 1uyn s GLY 976 CO 0.13 -0.25 1.04 -1.31 0.00 0.00 0.00 173.10 172.72 1uyn s ASN 977 N -0.61 5.75 0.88 1.64 0.01 0.68 -0.87 114.94 122.41 1uyn s ASN 977 Ca -0.07 1.17 -0.11 0.00 -0.71 0.00 0.00 52.86 53.15 1uyn s ASN 977 Cb -0.04 -2.09 0.12 0.00 0.41 0.00 0.00 41.25 39.65 1uyn s ASN 977 CO -0.00 -1.13 1.11 -0.94 -1.51 0.00 0.00 177.10 174.63 1uyn s SER 978 N -4.29 3.40 -0.16 -1.22 1.04 -1.26 -4.44 113.70 106.78 1uyn s SER 978 Ca 0.56 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.85 1uyn s SER 978 Cb -0.11 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.59 1uyn s SER 978 CO 0.52 -2.75 0.36 -0.22 0.98 0.00 0.00 173.24 172.13 1uyn s LEU 979 N -6.36 -0.23 -0.12 2.42 2.96 0.17 -4.89 118.68 112.62 1uyn s LEU 979 Ca 0.64 0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 55.36 1uyn s LEU 979 Cb -0.20 1.15 -0.03 0.00 0.50 0.00 0.00 46.19 47.61 1uyn s LEU 979 CO 0.58 -0.21 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.45 1uyn s THR 980 N 1.93 3.73 -0.16 3.68 2.01 -1.26 0.26 115.64 125.83 1uyn s THR 980 Ca -0.05 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 1uyn s THR 980 Cb -0.10 -2.58 0.08 0.00 0.01 0.00 0.00 72.50 69.90 1uyn s THR 980 CO -0.11 0.54 0.34 -0.70 -0.69 0.00 0.00 174.62 174.00 1uyn s GLU 981 N -0.09 0.24 -0.18 4.92 2.56 0.34 -4.98 118.70 121.52 1uyn s GLU 981 Ca 0.01 0.88 -0.04 0.00 0.00 0.00 0.00 54.97 55.82 1uyn s GLU 981 Cb -0.13 0.14 -0.02 0.00 2.00 0.00 0.00 34.13 36.11 1uyn s GLU 981 CO 0.03 -0.26 -0.03 0.20 -0.56 0.00 0.00 175.26 174.64 1uyn s GLY 982 N 2.43 1.70 -0.13 -1.50 0.00 -1.26 -1.42 107.32 107.15 1uyn s GLY 982 Ca -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 1uyn s GLY 982 CO -0.11 0.10 -0.10 -1.59 0.00 0.00 0.00 173.10 171.40 1uyn s THR 983 N 0.72 1.23 0.18 0.90 2.01 0.32 -4.84 115.64 116.16 1uyn s THR 983 Ca -0.01 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1uyn s THR 983 Cb -0.14 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 1uyn s THR 983 CO 0.02 0.40 0.96 -0.22 -0.69 0.00 0.00 174.62 175.09 1uyn s LEU 984 N 1.62 4.58 -0.08 4.42 2.96 -1.26 -0.83 118.68 130.09 1uyn s LEU 984 Ca 0.05 1.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.87 1uyn s LEU 984 Cb -0.13 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1uyn s LEU 984 CO -0.09 0.05 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.16 1uyn s VAL 985 N -0.66 1.30 -0.05 1.68 1.01 -0.00 -0.12 120.40 123.56 1uyn s VAL 985 Ca 0.44 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1uyn s VAL 985 Cb -0.25 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1uyn s VAL 985 CO 0.31 0.39 0.22 -0.83 0.00 0.00 0.00 175.10 175.20 1uyn s GLY 986 N 0.74 2.23 0.01 4.51 0.00 -0.84 -1.11 107.32 112.86 1uyn s GLY 986 Ca -0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 1uyn s GLY 986 CO 0.03 -0.37 0.01 1.08 0.00 0.00 0.00 173.10 173.85 1uyn s LEU 987 N -1.43 2.07 -0.24 0.66 1.43 -0.95 -2.16 118.68 118.05 1uyn s LEU 987 Ca 0.22 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 52.65 1uyn s LEU 987 Cb -0.13 0.23 0.14 0.00 0.03 0.00 0.00 46.19 46.46 1uyn s LEU 987 CO 0.11 -0.29 1.13 0.00 0.23 0.00 0.00 176.35 177.53 1uyn s ALA 988 N -1.34 -2.02 -0.19 4.21 0.00 -0.98 -1.70 121.76 119.73 1uyn s ALA 988 Ca -0.15 1.75 -0.35 0.00 0.00 0.00 0.00 51.96 53.21 1uyn s ALA 988 Cb -0.09 -1.26 0.14 0.00 0.00 0.00 0.00 23.12 21.91 1uyn s ALA 988 CO -0.00 -0.24 1.24 0.20 0.00 0.00 0.00 175.76 176.96 1uyn s GLY 989 N -0.43 -0.29 -0.02 0.00 0.00 0.05 -0.53 107.32 106.11 1uyn s GLY 989 Ca 0.03 1.59 0.01 0.00 0.00 0.00 0.00 44.72 46.35 1uyn s GLY 989 CO -0.05 0.52 -0.02 1.08 0.00 0.00 0.00 173.10 174.63 1uyn s LEU 990 N -2.21 1.64 -0.07 0.66 1.43 0.22 -1.63 118.68 118.72 1uyn s LEU 990 Ca 0.10 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1uyn s LEU 990 Cb -0.01 -0.22 0.02 0.00 0.03 0.00 0.00 46.19 46.02 1uyn s LEU 990 CO -0.04 -0.02 -0.04 -0.75 0.23 0.00 0.00 176.35 175.73 1uyn s LYS 991 N 0.40 0.96 -0.63 1.70 2.20 -0.49 -2.15 119.74 121.73 1uyn s LYS 991 Ca -0.04 -0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1uyn s LYS 991 Cb -0.07 -1.12 0.16 0.00 -1.51 0.00 0.00 37.83 35.29 1uyn s LYS 991 CO -0.01 -0.22 0.43 -1.17 -0.36 0.00 0.00 175.35 174.03 1uyn s LEU 992 N 1.57 5.00 0.08 5.43 2.96 0.09 -1.22 118.68 132.59 1uyn s LEU 992 Ca -0.00 -3.06 -0.31 0.00 -0.22 0.00 0.00 54.13 50.54 1uyn s LEU 992 Cb -0.13 -1.79 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 1uyn s LEU 992 CO -0.04 -0.29 1.28 -0.44 -1.32 0.00 0.00 176.35 175.53 1uyn s SER 993 N 0.20 6.97 -0.21 3.68 0.01 0.69 -1.45 113.70 123.59 1uyn s SER 993 Ca 0.19 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.59 1uyn s SER 993 Cb -0.20 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.50 1uyn s SER 993 CO -0.04 -0.55 -0.06 -1.58 0.41 0.00 0.00 173.24 171.42 1uyn s GLN 994 N 1.09 1.66 0.29 12.44 2.00 0.01 -0.26 119.66 136.89 1uyn s GLN 994 Ca 0.61 -0.81 -0.29 0.00 -2.00 0.00 0.00 55.36 52.87 1uyn s GLN 994 Cb -0.33 -2.38 -0.10 0.00 0.80 0.00 0.00 33.01 31.00 1uyn s GLN 994 CO 0.30 -0.51 1.32 -1.25 -0.50 0.00 0.00 175.29 174.64 1uyn s PRO 995 N 1.47 4.36 -0.19 1.67 0.04 -1.26 -2.05 135.00 139.04 1uyn s PRO 995 Ca -0.03 2.18 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 1uyn s PRO 995 Cb -0.17 -3.11 -0.21 0.00 0.04 0.00 0.00 34.50 31.05 1uyn s PRO 995 CO -0.07 -0.22 0.15 1.28 0.04 0.00 0.00 177.00 178.18 1uyn n LEU 996 N 1.42 2.38 0.00 -3.56 4.77 0.12 -4.93 117.00 117.19 1uyn n LEU 996 Ca 0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1uyn n LEU 996 Cb 0.42 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1uyn n LEU 996 CO 0.59 0.66 0.00 -1.54 -1.33 0.00 0.00 177.39 175.77 1uyn n SER 997 N -3.82 0.00 0.13 -1.43 3.41 -1.15 -4.98 113.62 105.78 1uyn n SER 997 Ca -0.37 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.37 1uyn n SER 997 Cb 0.91 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.32 1uyn n SER 997 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1uyn h ASP 998 N 0.00 0.00 0.00 4.04 2.03 -2.02 -3.34 116.42 117.13 1uyn h ASP 998 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1uyn h ASP 998 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1uyn h ASP 998 CO 0.00 0.00 -0.07 0.29 -1.03 0.00 0.00 179.24 178.43 1uyn n LYS 999 N -2.33 1.51 -3.54 4.15 4.01 -1.26 -4.96 118.16 115.74 1uyn n LYS 999 Ca 0.03 -1.79 -0.15 0.00 -0.51 0.00 0.00 58.31 55.90 1uyn n LYS 999 Cb 0.32 -1.09 -0.05 0.00 -0.51 0.00 0.00 35.03 33.70 1uyn n LYS 999 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uyn s ALA 1000N -1.56 -1.83 -0.01 7.82 0.00 -1.25 -1.02 121.76 123.91 1uyn s ALA 1000Ca 0.14 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.44 1uyn s ALA 1000Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1uyn s ALA 1000CO 0.01 -0.37 0.10 0.54 0.00 0.00 0.00 175.76 176.05 1uyn s VAL 1001N -1.28 0.05 -0.07 0.00 0.11 -0.86 -0.70 120.40 117.65 1uyn s VAL 1001Ca -0.07 -0.44 0.05 0.00 -2.93 0.00 0.00 61.98 58.59 1uyn s VAL 1001Cb -0.00 -0.29 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1uyn s VAL 1001CO 0.06 -0.24 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.15 1uyn s LEU 1002N -0.79 2.01 0.09 2.54 2.96 -0.87 -2.09 118.68 122.54 1uyn s LEU 1002Ca -0.09 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1uyn s LEU 1002Cb -0.05 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 1uyn s LEU 1002CO 0.01 0.19 -0.20 0.72 -1.32 0.00 0.00 176.35 175.74 1uyn s PHE 1003N 0.08 1.69 0.03 5.38 -0.12 -0.84 -0.81 117.98 123.40 1uyn s PHE 1003Ca -0.09 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1uyn s PHE 1003Cb -0.15 -0.94 -0.04 0.00 -0.63 0.00 0.00 43.02 41.27 1uyn s PHE 1003CO 0.05 0.18 0.07 0.00 -0.05 0.00 0.00 175.22 175.47 1uyn s ALA 1004N -1.16 3.55 -0.00 1.99 0.00 -0.53 -0.89 121.76 124.71 1uyn s ALA 1004Ca 0.05 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1uyn s ALA 1004Cb -0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1uyn s ALA 1004CO 0.04 0.71 -0.13 0.95 0.00 0.00 0.00 175.76 177.33 1uyn s THR 1005N -1.27 1.00 -0.01 0.00 -4.23 -0.82 -0.73 115.64 109.59 1uyn s THR 1005Ca 0.25 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1uyn s THR 1005Cb -0.12 -0.85 -0.00 0.00 1.34 0.00 0.00 72.50 72.87 1uyn s THR 1005CO 0.17 0.25 -0.07 0.00 -0.54 0.00 0.00 174.62 174.43 1uyn s ALA 1006N -0.36 0.64 0.22 3.99 0.00 -0.91 -0.73 121.76 124.61 1uyn s ALA 1006Ca 0.04 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 1uyn s ALA 1006Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1uyn s ALA 1006CO -0.00 0.13 0.45 0.20 0.00 0.00 0.00 175.76 176.54 1uyn s GLY 1007N 0.02 0.34 0.03 0.00 0.00 0.89 -0.61 107.32 107.99 1uyn s GLY 1007Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1uyn s GLY 1007CO -0.00 -0.56 -0.10 0.14 0.00 0.00 0.00 173.10 172.58 1uyn s VAL 1008N -3.97 0.74 -0.27 1.40 1.01 0.31 -1.10 120.40 118.51 1uyn s VAL 1008Ca 0.17 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 1uyn s VAL 1008Cb 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 36.38 35.74 1uyn s VAL 1008CO 0.04 -0.14 0.74 -0.70 0.00 0.00 0.00 175.10 175.04 1uyn s GLU 1009N -1.15 0.77 -0.28 2.72 2.12 -0.79 -2.33 118.70 119.77 1uyn s GLU 1009Ca -0.03 1.03 -0.20 0.00 0.36 0.00 0.00 54.97 56.13 1uyn s GLU 1009Cb -0.08 0.31 0.09 0.00 0.26 0.00 0.00 34.13 34.72 1uyn s GLU 1009CO 0.01 -0.11 0.80 0.50 -0.54 0.00 0.00 175.26 175.92 1uyn s ARG 1010N 0.75 0.66 0.26 4.30 3.52 -0.92 0.10 118.95 127.63 1uyn s ARG 1010Ca -0.03 0.97 -0.29 0.00 -0.13 0.00 0.00 55.73 56.25 1uyn s ARG 1010Cb -0.05 0.22 -0.09 0.00 -1.56 0.00 0.00 34.95 33.47 1uyn s ARG 1010CO -0.06 -0.11 1.26 -0.51 -0.81 0.00 0.00 175.30 175.07 1uyn s ASP 1011N 1.02 6.95 0.04 -2.12 1.01 -1.26 -1.99 116.67 120.32 1uyn s ASP 1011Ca -0.05 2.47 0.23 0.00 0.71 0.00 0.00 52.55 55.90 1uyn s ASP 1011Cb -0.05 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.30 1uyn s ASP 1011CO -0.11 -0.44 1.03 0.18 0.21 0.00 0.00 175.17 176.04 1uyn n LEU 1012N 1.65 0.62 0.00 1.23 4.77 0.82 -4.83 117.00 121.26 1uyn n LEU 1012Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1uyn n LEU 1012Cb 0.43 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1uyn n LEU 1012CO 0.57 0.06 0.00 -0.46 -1.33 0.00 0.00 177.39 176.24 1uyn n ASN 1013N -1.91 0.00 -4.77 -1.43 6.94 -1.24 -5.00 115.26 107.85 1uyn n ASN 1013Ca 0.02 -0.82 -0.39 0.00 -0.02 0.00 0.00 54.58 53.38 1uyn n ASN 1013Cb 0.42 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.82 1uyn n ASN 1013CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uyn s GLY 1014N -0.82 2.91 -0.51 4.83 0.00 -1.26 -4.90 107.32 107.58 1uyn s GLY 1014Ca 0.00 0.97 0.04 0.00 0.00 0.00 0.00 44.72 45.73 1uyn s GLY 1014CO 0.00 1.51 0.38 -1.60 0.00 0.00 0.00 173.10 173.40 1uyn s ARG 1015N -2.10 1.41 -0.25 2.90 3.52 -1.26 -4.59 118.95 118.58 1uyn s ARG 1015Ca 0.54 -2.49 -0.07 0.00 -0.13 0.00 0.00 55.73 53.58 1uyn s ARG 1015Cb -0.31 -2.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 1uyn s ARG 1015CO 0.40 -1.34 0.06 0.34 -0.81 0.00 0.00 175.30 173.94 1uyn s ASP 1016N -0.40 5.02 -0.16 -2.12 -1.08 -1.26 -4.96 116.67 111.70 1uyn s ASP 1016Ca 0.29 -0.31 0.17 0.00 -0.52 0.00 0.00 52.55 52.18 1uyn s ASP 1016Cb -0.00 -1.89 0.48 0.00 -1.46 0.00 0.00 42.92 40.04 1uyn s ASP 1016CO -0.18 -0.06 1.37 -1.22 0.52 0.00 0.00 175.17 175.60 1uyn n TYR 1017N 4.90 0.76 -2.24 -5.34 4.01 -1.26 -4.90 117.16 113.09 1uyn n TYR 1017Ca -0.16 -0.89 -0.43 0.00 -0.16 0.00 0.00 57.90 56.26 1uyn n TYR 1017Cb 0.51 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.24 1uyn n TYR 1017CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1uyn s THR 1018N -2.78 3.96 0.09 -0.72 2.01 -1.26 -3.98 115.64 112.96 1uyn s THR 1018Ca 0.40 1.17 -0.21 0.00 0.31 0.00 0.00 61.69 63.36 1uyn s THR 1018Cb 0.32 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 1uyn s THR 1018CO 0.08 -0.10 0.61 0.68 -0.69 0.00 0.00 174.62 175.20 1uyn s VAL 1019N 3.69 4.66 -0.02 3.82 -7.23 -1.26 -5.05 120.40 119.01 1uyn s VAL 1019Ca 0.63 1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 61.82 1uyn s VAL 1019Cb -0.27 -3.95 -0.05 0.00 0.56 0.00 0.00 36.38 32.67 1uyn s VAL 1019CO 0.21 0.55 1.33 -0.89 -0.31 0.00 0.00 175.10 175.99 1uyn s THR 1020N -1.11 3.90 0.00 5.32 2.01 -1.26 -4.91 115.64 119.59 1uyn s THR 1020Ca 0.30 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.57 1uyn s THR 1020Cb -0.20 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1uyn s THR 1020CO 0.21 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1uyn n GLY 1021N 3.54 0.00 3.15 4.40 0.00 -1.26 -0.23 105.19 114.79 1uyn n GLY 1021Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1uyn n GLY 1021CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uyn s PRO 1039N -0.60 0.37 0.13 1.61 0.04 -1.26 -4.82 135.00 130.47 1uyn s PRO 1039Ca 0.00 0.52 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1uyn s PRO 1039Cb 0.00 0.27 -0.04 0.00 0.04 0.00 0.00 34.50 34.77 1uyn s PRO 1039CO 0.00 -0.55 -0.19 -1.01 0.04 0.00 0.00 177.00 175.29 1uyn s HIS 1040N 2.90 1.72 -0.05 0.56 3.76 -1.26 -4.95 115.29 117.96 1uyn s HIS 1040Ca 0.14 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 1uyn s HIS 1040Cb -0.09 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 1uyn s HIS 1040CO -0.20 0.23 1.26 0.99 -0.85 0.00 0.00 174.74 176.17 1uyn s THR 1041N -1.61 4.12 -0.06 1.30 2.01 -1.26 -4.32 115.64 115.82 1uyn s THR 1041Ca 0.10 1.45 -0.04 0.00 0.31 0.00 0.00 61.69 63.51 1uyn s THR 1041Cb -0.08 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1uyn s THR 1041CO 0.05 -0.01 0.13 0.00 -0.69 0.00 0.00 174.62 174.10 1uyn s ARG 1042N 2.36 3.34 -0.09 4.92 1.70 0.12 -4.58 118.95 126.71 1uyn s ARG 1042Ca 0.58 -0.27 -0.14 0.00 -0.47 0.00 0.00 55.73 55.42 1uyn s ARG 1042Cb -0.26 -3.07 -0.05 0.00 -0.57 0.00 0.00 34.95 31.00 1uyn s ARG 1042CO 0.23 0.72 0.35 -0.51 -1.08 0.00 0.00 175.30 175.01 1uyn s LEU 1043N -1.42 4.34 -0.11 -1.89 1.43 -0.70 -1.88 118.68 118.45 1uyn s LEU 1043Ca 0.20 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1uyn s LEU 1043Cb -0.12 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.63 1uyn s LEU 1043CO 0.10 0.18 -0.18 -0.69 0.23 0.00 0.00 176.35 176.00 1uyn s VAL 1044N -0.15 1.68 0.21 -1.59 1.01 -0.26 -0.70 120.40 120.60 1uyn s VAL 1044Ca 0.21 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1uyn s VAL 1044Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1uyn s VAL 1044CO 0.08 0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.63 1uyn s ALA 1045N 0.86 3.11 0.18 5.51 0.00 -0.70 -0.08 121.76 130.64 1uyn s ALA 1045Ca -0.08 -1.51 -0.24 0.00 0.00 0.00 0.00 51.96 50.13 1uyn s ALA 1045Cb -0.15 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.19 1uyn s ALA 1045CO -0.00 0.39 0.77 0.20 0.00 0.00 0.00 175.76 177.12 1uyn s GLY 1046N -3.19 -0.31 0.05 0.00 0.00 0.09 -0.47 107.32 103.50 1uyn s GLY 1046Ca 0.28 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.20 1uyn s GLY 1046CO 0.18 0.05 -0.07 1.08 0.00 0.00 0.00 173.10 174.35 1uyn s LEU 1047N -2.82 2.33 0.32 0.66 1.43 0.26 -1.94 118.68 118.92 1uyn s LEU 1047Ca 0.08 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 1uyn s LEU 1047Cb -0.03 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.13 1uyn s LEU 1047CO -0.01 -0.30 0.67 -0.83 0.23 0.00 0.00 176.35 176.11 1uyn s GLY 1048N -2.00 0.39 -0.30 -3.19 0.00 -0.07 -1.12 107.32 101.03 1uyn s GLY 1048Ca -0.04 -0.73 -0.14 0.00 0.00 0.00 0.00 44.72 43.81 1uyn s GLY 1048CO -0.02 -0.38 0.96 0.00 0.00 0.00 0.00 173.10 173.66 1uyn s ALA 1049N -3.24 -2.71 -0.03 3.20 0.00 -0.66 -1.99 121.76 116.33 1uyn s ALA 1049Ca 0.17 2.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.98 1uyn s ALA 1049Cb -0.04 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1uyn s ALA 1049CO 0.11 -1.00 0.46 -0.51 0.00 0.00 0.00 175.76 174.82 1uyn s ASP 1050N 2.53 6.81 -0.04 0.00 1.11 -0.89 -1.36 116.67 124.83 1uyn s ASP 1050Ca -0.02 0.96 0.03 0.00 0.18 0.00 0.00 52.55 53.70 1uyn s ASP 1050Cb -0.07 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.64 1uyn s ASP 1050CO -0.17 0.19 -0.13 0.68 1.18 0.00 0.00 175.17 176.92 1uyn s VAL 1051N -0.44 1.15 -0.46 -1.27 -7.23 -0.85 -2.03 120.40 109.27 1uyn s VAL 1051Ca 0.25 -0.54 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 1uyn s VAL 1051Cb -0.17 -1.01 0.03 0.00 0.56 0.00 0.00 36.38 35.79 1uyn s VAL 1051CO 0.13 0.35 0.94 -1.61 -0.31 0.00 0.00 175.10 174.60 1uyn s GLU 1052N 0.24 3.54 0.35 4.82 0.41 -0.18 -0.59 118.70 127.29 1uyn s GLU 1052Ca -0.06 0.19 0.19 0.00 -0.41 0.00 0.00 54.97 54.87 1uyn s GLU 1052Cb -0.12 -3.93 0.31 0.00 -1.78 0.00 0.00 34.13 28.62 1uyn s GLU 1052CO 0.02 -1.24 1.56 0.74 -0.49 0.00 0.00 175.26 175.86 1uyn h PHE 1053N 9.09 0.00 0.00 1.61 0.04 -1.18 -3.47 116.94 123.03 1uyn h PHE 1053Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1uyn h PHE 1053Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1uyn h PHE 1053CO 0.88 0.35 0.00 0.41 -0.60 0.00 0.00 178.31 179.34 1uyn n GLY 1054N 0.95 2.90 2.71 -1.45 0.00 -1.19 -4.96 105.19 104.15 1uyn n GLY 1054Ca 0.02 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 1uyn n GLY 1054CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uyn n ASN 1055N 0.00 -5.71 0.00 1.61 6.94 -1.26 -2.85 115.26 113.99 1uyn n ASN 1055Ca 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.38 1uyn n ASN 1055Cb 0.00 -4.61 0.00 0.00 -2.36 0.00 0.00 39.78 32.81 1uyn n ASN 1055CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uyn n GLY 1056N -1.31 3.06 3.71 4.83 0.00 -1.26 -5.01 105.19 109.22 1uyn n GLY 1056Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1uyn n GLY 1056CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uyn s TRP 1057N -2.92 3.63 0.25 1.61 0.52 -1.13 -1.49 118.94 119.40 1uyn s TRP 1057Ca 0.00 1.62 0.09 0.00 0.02 0.00 0.00 56.10 57.83 1uyn s TRP 1057Cb 0.00 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 1uyn s TRP 1057CO 0.00 -0.28 -0.14 0.54 0.02 0.00 0.00 176.95 177.09 1uyn s ASN 1058N 0.82 2.95 0.38 2.95 4.22 -0.57 -0.62 114.94 125.06 1uyn s ASN 1058Ca 0.53 -1.06 0.04 0.00 -2.14 0.00 0.00 52.86 50.22 1uyn s ASN 1058Cb -0.24 -0.20 -0.05 0.00 1.28 0.00 0.00 41.25 42.05 1uyn s ASN 1058CO 0.29 -0.15 0.06 -0.83 -2.04 0.00 0.00 177.10 174.44 1uyn s GLY 1059N -3.41 2.37 -0.28 0.45 0.00 0.24 -0.29 107.32 106.41 1uyn s GLY 1059Ca 0.26 -1.69 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 1uyn s GLY 1059CO 0.10 -1.90 0.72 -2.27 0.00 0.00 0.00 173.10 169.76 1uyn s LEU 1060N -3.59 -0.90 -0.04 0.66 2.96 0.10 -2.00 118.68 115.86 1uyn s LEU 1060Ca 0.30 1.44 -0.00 0.00 -0.22 0.00 0.00 54.13 55.65 1uyn s LEU 1060Cb 0.07 2.32 0.03 0.00 0.50 0.00 0.00 46.19 49.11 1uyn s LEU 1060CO 0.14 -0.23 0.00 0.00 -1.32 0.00 0.00 176.35 174.95 1uyn s ALA 1061N 1.58 0.43 -0.02 5.97 0.00 -0.46 -1.58 121.76 127.68 1uyn s ALA 1061Ca -0.10 0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1uyn s ALA 1061Cb -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1uyn s ALA 1061CO -0.19 -0.22 -0.04 1.03 0.00 0.00 0.00 175.76 176.34 1uyn s ARG 1062N 1.39 0.57 0.07 0.00 0.52 -0.11 -1.65 118.95 119.74 1uyn s ARG 1062Ca -0.04 -0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.10 1uyn s ARG 1062Cb -0.13 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.72 1uyn s ARG 1062CO -0.03 0.01 -0.15 -0.47 0.02 0.00 0.00 175.30 174.68 1uyn s TYR 1063N 0.42 1.32 -0.15 -0.53 5.04 -0.28 -0.65 117.35 122.52 1uyn s TYR 1063Ca -0.05 -0.44 -0.13 0.00 -2.44 0.00 0.00 57.07 54.01 1uyn s TYR 1063Cb -0.09 -0.74 0.04 0.00 0.35 0.00 0.00 41.96 41.52 1uyn s TYR 1063CO -0.00 0.08 0.40 0.45 -1.34 0.00 0.00 175.55 175.14 1uyn s SER 1064N -1.67 -0.44 -0.13 4.32 0.15 0.66 0.92 113.70 117.51 1uyn s SER 1064Ca -0.00 0.83 0.03 0.00 0.70 0.00 0.00 55.95 57.50 1uyn s SER 1064Cb -0.10 0.81 0.01 0.00 -1.71 0.00 0.00 66.02 65.03 1uyn s SER 1064CO 0.02 -0.15 -0.22 -0.47 1.20 0.00 0.00 173.24 173.63 1uyn s TYR 1065N 0.45 2.65 -0.15 3.44 5.04 0.38 -0.28 117.35 128.88 1uyn s TYR 1065Ca -0.02 -1.21 -0.06 0.00 -2.44 0.00 0.00 57.07 53.34 1uyn s TYR 1065Cb -0.04 -1.79 -0.04 0.00 0.35 0.00 0.00 41.96 40.44 1uyn s TYR 1065CO -0.02 -0.53 0.05 0.00 -1.34 0.00 0.00 175.55 173.71 1uyn s ALA 1066N 0.66 3.42 -0.02 3.97 0.00 -0.48 -1.72 121.76 127.59 1uyn s ALA 1066Ca -0.10 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1uyn s ALA 1066Cb -0.16 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1uyn s ALA 1066CO 0.02 0.33 -0.05 0.20 0.00 0.00 0.00 175.76 176.25 1uyn s GLY 1067N -0.08 0.37 0.39 0.00 0.00 0.12 -0.98 107.32 107.14 1uyn s GLY 1067Ca 0.06 -0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.69 1uyn s GLY 1067CO 0.01 0.14 0.17 -1.35 0.00 0.00 0.00 173.10 172.07 1uyn s SER 1068N 0.42 2.47 0.24 1.64 1.04 -0.85 -1.73 113.70 116.94 1uyn s SER 1068Ca -0.05 -1.70 -0.31 0.00 0.48 0.00 0.00 55.95 54.36 1uyn s SER 1068Cb -0.09 0.54 -0.13 0.00 0.10 0.00 0.00 66.02 66.44 1uyn s SER 1068CO -0.00 -0.98 1.52 2.29 0.98 0.00 0.00 173.24 177.06 1uyn n LYS 1069N -0.83 2.31 -1.67 4.02 2.85 -1.26 -1.21 118.16 122.37 1uyn n LYS 1069Ca -0.02 0.82 -0.18 0.00 -1.05 0.00 0.00 58.31 57.88 1uyn n LYS 1069Cb 0.64 -2.56 -0.07 0.00 -0.65 0.00 0.00 35.03 32.40 1uyn n LYS 1069CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1uyn n GLN 1070N 2.52 -1.30 -3.78 -1.58 6.02 -1.26 -4.97 117.38 113.03 1uyn n GLN 1070Ca 0.12 1.10 -0.13 0.00 -0.01 0.00 0.00 57.00 58.08 1uyn n GLN 1070Cb 0.33 -5.41 -0.12 0.00 1.02 0.00 0.00 30.24 26.06 1uyn n GLN 1070CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1uyn s TYR 1071N -2.72 -0.28 -0.27 1.08 6.14 -0.35 -1.84 117.35 119.12 1uyn s TYR 1071Ca 0.00 0.67 -0.14 0.00 0.64 0.00 0.00 57.07 58.24 1uyn s TYR 1071Cb 0.00 0.09 0.09 0.00 0.42 0.00 0.00 41.96 42.55 1uyn s TYR 1071CO 0.00 -0.14 0.64 0.20 0.64 0.00 0.00 175.55 176.89 1uyn s GLY 1072N 0.29 -0.61 -0.04 8.97 0.00 -1.02 -2.00 107.32 112.92 1uyn s GLY 1072Ca -0.01 2.28 0.00 0.00 0.00 0.00 0.00 44.72 46.98 1uyn s GLY 1072CO -0.01 2.43 0.00 0.21 0.00 0.00 0.00 173.10 175.73 1uyn s ASN 1073N 1.84 0.68 -0.19 1.64 2.47 -0.15 -1.76 114.94 119.48 1uyn s ASN 1073Ca -0.09 -0.03 -0.20 0.00 0.42 0.00 0.00 52.86 52.96 1uyn s ASN 1073Cb -0.07 -0.26 -0.03 0.00 -1.45 0.00 0.00 41.25 39.44 1uyn s ASN 1073CO -0.19 -0.12 0.57 -1.00 -3.72 0.00 0.00 177.10 172.64 1uyn s HIS 1074N 1.24 3.39 -0.11 0.43 3.76 0.22 -1.38 115.29 122.84 1uyn s HIS 1074Ca -0.07 0.87 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 1uyn s HIS 1074Cb -0.13 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.83 1uyn s HIS 1074CO -0.02 -0.11 -0.20 0.45 -0.85 0.00 0.00 174.74 174.02 1uyn s SER 1075N 1.12 3.46 0.33 1.40 0.15 0.62 -0.96 113.70 119.81 1uyn s SER 1075Ca 0.27 -0.47 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1uyn s SER 1075Cb -0.16 -1.48 -0.07 0.00 -1.71 0.00 0.00 66.02 62.61 1uyn s SER 1075CO 0.10 0.16 0.01 -0.83 1.20 0.00 0.00 173.24 173.88 1uyn s GLY 1076N 0.33 2.08 -0.29 9.45 0.00 0.24 -0.25 107.32 118.89 1uyn s GLY 1076Ca -0.16 -2.06 -0.16 0.00 0.00 0.00 0.00 44.72 42.34 1uyn s GLY 1076CO 0.08 -1.89 0.93 -1.60 0.00 0.00 0.00 173.10 170.62 1uyn s ARG 1077N -3.79 0.43 -0.07 2.90 3.52 0.18 -2.55 118.95 119.56 1uyn s ARG 1077Ca 0.34 0.74 0.02 0.00 -0.13 0.00 0.00 55.73 56.70 1uyn s ARG 1077Cb 0.07 0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.56 1uyn s ARG 1077CO 0.15 -0.09 -0.13 0.08 -0.81 0.00 0.00 175.30 174.50 1uyn s VAL 1078N 1.40 1.20 -0.02 7.11 1.01 -0.66 -0.94 120.40 129.50 1uyn s VAL 1078Ca -0.09 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1uyn s VAL 1078Cb -0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1uyn s VAL 1078CO -0.16 0.37 -0.12 -0.83 0.00 0.00 0.00 175.10 174.37 1uyn s GLY 1079N 0.70 0.61 0.02 4.51 0.00 -0.61 -1.22 107.32 111.33 1uyn s GLY 1079Ca -0.14 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.17 1uyn s GLY 1079CO 0.03 -0.33 -0.19 0.14 0.00 0.00 0.00 173.10 172.75 1uyn s VAL 1080N -0.12 2.70 0.03 1.40 1.01 0.06 -0.72 120.40 124.75 1uyn s VAL 1080Ca 0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1uyn s VAL 1080Cb -0.06 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1uyn s VAL 1080CO 0.00 0.39 -0.02 -0.83 0.00 0.00 0.00 175.10 174.64 1uyn s GLY 1081N -1.26 0.27 -0.09 4.51 0.00 0.61 -1.25 107.32 110.11 1uyn s GLY 1081Ca 0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 1uyn s GLY 1081CO 0.04 -0.76 0.04 -0.47 0.00 0.00 0.00 173.10 171.95 1uyn s TYR 1082N -1.91 0.45 -0.33 1.90 5.04 0.33 -1.52 117.35 121.32 1uyn s TYR 1082Ca -0.12 -0.13 -0.18 0.00 -2.44 0.00 0.00 57.07 54.21 1uyn s TYR 1082Cb -0.07 -0.71 -0.01 0.00 0.35 0.00 0.00 41.96 41.53 1uyn s TYR 1082CO -0.03 -0.34 0.50 0.50 -1.34 0.00 0.00 175.55 174.85 1uyn s ARG 1083N 2.05 3.75 0.00 4.97 3.00 -0.56 -0.53 118.95 131.63 1uyn s ARG 1083Ca 0.04 -0.04 0.30 0.00 -1.00 0.00 0.00 55.73 55.03 1uyn s ARG 1083Cb -0.13 -3.76 1.80 0.00 0.00 0.00 0.00 34.95 32.85 1uyn s ARG 1083CO -0.05 -0.56 2.13 1.19 0.00 0.00 0.00 175.30 178.01