#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1g s GLN 777 N 0.00 1.43 0.14 5.55 -0.21 -1.26 -0.98 119.66 124.33 1f1g s GLN 777 Ca 0.00 -1.18 -0.01 0.00 0.02 0.00 0.00 55.36 54.19 1f1g s GLN 777 Cb 0.00 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.24 1f1g s GLN 777 CO 0.00 0.42 0.07 0.00 -2.12 0.00 0.00 175.29 173.67 1f1g s ALA 778 N -0.98 0.89 -0.08 6.09 0.00 -0.25 -1.34 121.76 126.09 1f1g s ALA 778 Ca 0.11 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.39 1f1g s ALA 778 Cb -0.10 0.95 0.04 0.00 0.00 0.00 0.00 23.12 24.01 1f1g s ALA 778 CO 0.04 -0.51 0.44 0.54 0.00 0.00 0.00 175.76 176.27 1f1g s VAL 779 N -4.06 0.02 -0.06 0.00 0.11 0.25 -0.85 120.40 115.82 1f1g s VAL 779 Ca 0.26 -0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 1f1g s VAL 779 Cb 0.07 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1f1g s VAL 779 CO 0.03 -0.11 -0.17 0.00 -3.33 0.00 0.00 175.10 171.52 1f1g s ALA 780 N -0.72 1.56 -0.34 1.54 0.00 0.33 -0.64 121.76 123.50 1f1g s ALA 780 Ca -0.08 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1f1g s ALA 780 Cb -0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 1f1g s ALA 780 CO 0.04 0.25 0.19 0.08 0.00 0.00 0.00 175.76 176.32 1f1g s VAL 781 N 0.21 4.80 -0.15 0.00 1.01 -1.26 -0.57 120.40 124.43 1f1g s VAL 781 Ca -0.08 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1f1g s VAL 781 Cb -0.13 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1f1g s VAL 781 CO 0.03 -0.03 0.79 -0.76 0.00 0.00 0.00 175.10 175.13 1f1g s LEU 782 N 1.63 4.20 0.07 3.92 1.43 0.48 -3.97 118.68 126.44 1f1g s LEU 782 Ca 0.04 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1f1g s LEU 782 Cb -0.18 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1f1g s LEU 782 CO 0.08 -0.34 -0.05 -0.54 0.23 0.00 0.00 176.35 175.72 1f1g s LYS 783 N 1.90 0.69 -0.00 1.70 1.02 -0.46 -1.38 119.74 123.21 1f1g s LYS 783 Ca 0.37 -1.16 -0.08 0.00 0.02 0.00 0.00 55.97 55.13 1f1g s LYS 783 Cb -0.17 -0.08 0.03 0.00 -0.52 0.00 0.00 37.83 37.09 1f1g s LYS 783 CO 0.13 -0.04 0.35 0.41 -0.92 0.00 0.00 175.35 175.29 1f1g n GLY 784 N 0.35 0.58 0.87 -3.33 0.00 -1.25 -1.76 105.19 100.65 1f1g n GLY 784 Ca -0.15 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1f1g n GLY 784 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f1g n ASP 785 N -0.45 3.24 -1.06 1.61 8.00 -1.26 -4.56 116.55 122.08 1f1g n ASP 785 Ca 0.01 -1.99 0.09 0.00 0.71 0.00 0.00 54.79 53.61 1f1g n ASP 785 Cb 0.16 -0.31 0.25 0.00 -0.02 0.00 0.00 41.12 41.21 1f1g n ASP 785 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1g n ALA 786 N 0.90 2.38 -0.16 2.24 0.00 -1.26 -4.94 120.51 119.67 1f1g n ALA 786 Ca 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1f1g n ALA 786 Cb 0.49 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1f1g n ALA 786 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1g n GLY 787 N 1.04 1.21 3.81 0.00 0.00 -1.26 -5.03 105.19 104.95 1f1g n GLY 787 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1f1g n GLY 787 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 788 N -2.64 5.42 0.18 1.61 1.01 -1.26 -4.21 120.40 120.51 1f1g s VAL 788 Ca 0.00 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1f1g s VAL 788 Cb 0.00 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1f1g s VAL 788 CO 0.00 0.53 0.51 -0.94 0.00 0.00 0.00 175.10 175.20 1f1g s SER 789 N -0.40 -0.28 0.00 3.32 1.04 -0.73 -3.83 113.70 112.82 1f1g s SER 789 Ca 0.13 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1f1g s SER 789 Cb -0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1f1g s SER 789 CO 0.03 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1f1g n GLY 790 N -0.33 -1.31 2.85 7.32 0.00 -0.48 -0.37 105.19 112.87 1f1g n GLY 790 Ca -0.11 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1f1g n GLY 790 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 791 N -2.91 -0.05 -0.14 1.61 1.01 0.00 -0.39 120.40 119.54 1f1g s VAL 791 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1f1g s VAL 791 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1f1g s VAL 791 CO 0.00 0.07 -0.19 -0.69 0.00 0.00 0.00 175.10 174.29 1f1g s VAL 792 N 1.03 1.85 0.00 2.92 1.01 0.27 -1.59 120.40 125.89 1f1g s VAL 792 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1f1g s VAL 792 Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1f1g s VAL 792 CO -0.04 0.51 -0.04 -0.54 0.00 0.00 0.00 175.10 174.98 1f1g s LYS 793 N 0.97 2.62 -0.01 2.72 1.02 0.47 -0.51 119.74 127.02 1f1g s LYS 793 Ca -0.05 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.30 1f1g s LYS 793 Cb -0.15 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1f1g s LYS 793 CO -0.04 0.61 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.81 1f1g s PHE 794 N -1.03 1.23 -0.05 3.18 0.40 -0.03 -0.89 117.98 120.80 1f1g s PHE 794 Ca 0.18 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1f1g s PHE 794 Cb -0.11 -0.80 0.03 0.00 0.51 0.00 0.00 43.02 42.64 1f1g s PHE 794 CO 0.09 -0.03 0.11 -2.00 0.70 0.00 0.00 175.22 174.08 1f1g s GLU 795 N -0.27 0.08 -0.08 0.44 2.12 -0.35 -1.08 118.70 119.56 1f1g s GLU 795 Ca 0.04 0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.59 1f1g s GLU 795 Cb -0.06 -0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.29 1f1g s GLU 795 CO -0.00 -0.10 0.16 -1.14 -0.54 0.00 0.00 175.26 173.64 1f1g s GLN 796 N 0.68 0.07 0.07 4.30 0.74 -0.15 -0.28 119.66 125.09 1f1g s GLN 796 Ca -0.05 0.48 -0.14 0.00 0.05 0.00 0.00 55.36 55.70 1f1g s GLN 796 Cb -0.07 -0.21 -0.26 0.00 1.10 0.00 0.00 33.01 33.57 1f1g s GLN 796 CO -0.03 -0.23 1.15 0.00 -0.55 0.00 0.00 175.29 175.62 1f1g h ALA 797 N 7.77 0.06 -2.86 1.58 0.00 -1.84 0.23 119.26 124.21 1f1g h ALA 797 Ca -0.29 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 1f1g h ALA 797 Cb 1.13 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1f1g h ALA 797 CO 0.29 0.70 0.03 -1.54 0.00 0.00 0.00 179.25 178.72 1f1g s SER 798 N -7.36 -0.29 0.36 0.00 1.04 -1.26 -4.52 113.70 101.67 1f1g s SER 798 Ca -0.09 -0.40 0.05 0.00 0.48 0.00 0.00 55.95 55.99 1f1g s SER 798 Cb 0.06 0.56 0.72 0.00 0.10 0.00 0.00 66.02 67.46 1f1g s SER 798 CO 0.93 -1.00 1.99 -0.08 0.98 0.00 0.00 173.24 176.06 1f1g h GLU 799 N 2.21 0.75 0.00 4.02 4.81 -1.92 -1.57 114.58 122.88 1f1g h GLU 799 Ca -0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1f1g h GLU 799 Cb 1.27 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1f1g h GLU 799 CO 0.39 0.49 -0.25 -1.13 -0.73 0.00 0.00 179.01 177.78 1f1g n SER 800 N -4.46 0.36 -4.89 1.04 3.41 -1.26 -4.88 113.62 102.93 1f1g n SER 800 Ca 0.08 0.20 -0.29 0.00 -0.26 0.00 0.00 58.87 58.61 1f1g n SER 800 Cb 0.13 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1f1g n SER 800 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1f1g s GLU 801 N -3.03 3.59 0.62 4.33 0.41 -0.59 -5.04 118.70 118.99 1f1g s GLU 801 Ca 0.12 0.36 -0.18 0.00 -0.41 0.00 0.00 54.97 54.86 1f1g s GLU 801 Cb 0.17 -2.31 -0.02 0.00 -1.78 0.00 0.00 34.13 30.19 1f1g s GLU 801 CO 0.62 -0.26 1.18 -2.14 -0.49 0.00 0.00 175.26 174.18 1f1g s PRO 802 N -4.70 2.83 -0.08 0.39 0.02 -1.26 -4.82 135.00 127.38 1f1g s PRO 802 Ca 0.50 1.72 -0.16 0.00 0.02 0.00 0.00 61.00 63.07 1f1g s PRO 802 Cb -0.10 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 1f1g s PRO 802 CO 0.45 -1.29 0.43 0.99 -0.33 0.00 0.00 177.00 177.24 1f1g s THR 803 N -1.81 5.14 -0.21 0.99 2.01 0.30 -4.55 115.64 117.51 1f1g s THR 803 Ca 0.75 0.86 -0.20 0.00 0.31 0.00 0.00 61.69 63.41 1f1g s THR 803 Cb -0.28 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1f1g s THR 803 CO 0.36 0.42 0.58 -0.89 -0.69 0.00 0.00 174.62 174.40 1f1g s THR 804 N 0.02 5.05 -0.17 -0.82 2.01 0.62 -0.82 115.64 121.52 1f1g s THR 804 Ca 0.24 1.07 -0.04 0.00 0.31 0.00 0.00 61.69 63.27 1f1g s THR 804 Cb -0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1f1g s THR 804 CO 0.10 0.12 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.43 1f1g s VAL 805 N 1.95 3.81 0.06 3.82 1.01 0.23 -1.21 120.40 130.06 1f1g s VAL 805 Ca 0.26 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1f1g s VAL 805 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1f1g s VAL 805 CO 0.10 0.47 -0.10 -0.94 0.00 0.00 0.00 175.10 174.62 1f1g s SER 806 N 0.66 1.25 0.04 3.32 1.04 -0.07 -0.98 113.70 118.97 1f1g s SER 806 Ca -0.02 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 55.69 1f1g s SER 806 Cb -0.14 0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1f1g s SER 806 CO 0.02 -0.17 0.20 -0.72 0.98 0.00 0.00 173.24 173.55 1f1g s TYR 807 N -1.55 0.06 -0.05 5.02 -0.85 -0.24 -0.40 117.35 119.35 1f1g s TYR 807 Ca -0.04 -0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 56.19 1f1g s TYR 807 Cb -0.09 -0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.25 1f1g s TYR 807 CO 0.01 -0.44 0.05 -1.21 -1.52 0.00 0.00 175.55 172.43 1f1g s GLU 808 N -2.68 0.10 -0.04 -3.49 2.02 -0.62 -2.03 118.70 111.96 1f1g s GLU 808 Ca -0.04 0.30 0.01 0.00 0.02 0.00 0.00 54.97 55.26 1f1g s GLU 808 Cb -0.01 -0.66 0.02 0.00 0.10 0.00 0.00 34.13 33.59 1f1g s GLU 808 CO -0.04 -0.33 -0.03 0.42 0.02 0.00 0.00 175.26 175.29 1f1g s ILE 809 N 2.12 0.44 0.19 -1.63 1.01 0.58 -0.82 121.20 123.10 1f1g s ILE 809 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.70 1f1g s ILE 809 Cb -0.12 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1f1g s ILE 809 CO -0.04 0.20 0.05 0.00 0.00 0.00 0.00 174.94 175.16 1f1g s ALA 810 N 0.96 3.33 0.00 9.38 0.00 0.50 -0.40 121.76 135.53 1f1g s ALA 810 Ca -0.11 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1f1g s ALA 810 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1f1g s ALA 810 CO -0.00 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1f1g n GLY 811 N -0.37 0.72 3.82 0.00 0.00 -1.15 -1.78 105.19 106.44 1f1g n GLY 811 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1f1g n GLY 811 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1g s ASN 812 N -2.05 4.35 0.45 1.61 0.01 -0.77 -4.38 114.94 114.16 1f1g s ASN 812 Ca 0.00 1.12 -0.24 0.00 -0.71 0.00 0.00 52.86 53.03 1f1g s ASN 812 Cb 0.00 -1.78 -0.09 0.00 0.41 0.00 0.00 41.25 39.78 1f1g s ASN 812 CO 0.00 -2.04 1.10 -1.20 -1.51 0.00 0.00 177.10 173.45 1f1g n SER 813 N -3.45 1.65 -4.86 -1.22 7.64 -1.26 -4.32 113.62 107.81 1f1g n SER 813 Ca 0.07 1.02 -0.32 0.00 1.01 0.00 0.00 58.87 60.66 1f1g n SER 813 Cb 0.58 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 1f1g n SER 813 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1f1g s PRO 814 N -2.21 3.80 -1.40 1.43 0.04 -1.26 -4.28 135.00 131.12 1f1g s PRO 814 Ca 0.65 0.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 1f1g s PRO 814 Cb -0.52 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 31.93 1f1g s PRO 814 CO 0.56 -0.39 0.66 0.09 0.04 0.00 0.00 177.00 177.95 1f1g n ASN 815 N -2.07 -1.59 -3.42 6.66 3.02 -0.29 -4.95 115.26 112.62 1f1g n ASN 815 Ca 0.06 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.52 1f1g n ASN 815 Cb 0.54 -3.65 -0.07 0.00 -0.61 0.00 0.00 39.78 35.99 1f1g n ASN 815 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1g n ALA 816 N -4.39 0.66 -3.15 5.41 0.00 -1.18 -4.94 120.51 112.93 1f1g n ALA 816 Ca -0.23 -1.96 -0.27 0.00 0.00 0.00 0.00 53.44 50.98 1f1g n ALA 816 Cb 0.65 1.50 -0.16 0.00 0.00 0.00 0.00 19.45 21.43 1f1g n ALA 816 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f1g s GLU 817 N -3.40 2.06 -0.06 0.00 2.02 -1.26 -0.58 118.70 117.48 1f1g s GLU 817 Ca 0.33 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1f1g s GLU 817 Cb 0.02 -1.69 0.01 0.00 0.10 0.00 0.00 34.13 32.57 1f1g s GLU 817 CO 0.23 0.16 -0.11 1.03 0.02 0.00 0.00 175.26 176.59 1f1g s ARG 818 N 0.30 1.52 0.49 1.61 1.81 -0.24 -3.32 118.95 121.13 1f1g s ARG 818 Ca -0.11 -0.38 -0.24 0.00 -1.72 0.00 0.00 55.73 53.29 1f1g s ARG 818 Cb -0.14 -1.29 -0.07 0.00 -0.45 0.00 0.00 34.95 33.00 1f1g s ARG 818 CO 0.04 0.04 1.41 0.20 -0.68 0.00 0.00 175.30 176.31 1f1g s GLY 819 N 0.60 2.91 -0.19 -3.53 0.00 0.05 -0.76 107.32 106.40 1f1g s GLY 819 Ca -0.12 1.44 -0.04 0.00 0.00 0.00 0.00 44.72 46.00 1f1g s GLY 819 CO 0.03 2.02 0.25 -0.12 0.00 0.00 0.00 173.10 175.29 1f1g s PHE 820 N -1.23 -0.39 0.07 1.90 5.36 -0.16 -0.99 117.98 122.54 1f1g s PHE 820 Ca 0.65 0.51 -0.08 0.00 -0.96 0.00 0.00 56.93 57.05 1f1g s PHE 820 Cb -0.43 -0.22 -0.00 0.00 -0.34 0.00 0.00 43.02 42.02 1f1g s PHE 820 CO 0.54 -0.55 0.16 -1.01 -1.46 0.00 0.00 175.22 172.90 1f1g s HIS 821 N 2.38 0.16 -0.22 10.12 3.76 -0.84 -1.48 115.29 129.17 1f1g s HIS 821 Ca 0.06 -0.52 -0.23 0.00 -0.15 0.00 0.00 55.06 54.22 1f1g s HIS 821 Cb -0.15 -0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.44 1f1g s HIS 821 CO -0.12 -0.48 0.74 0.42 -0.85 0.00 0.00 174.74 174.46 1f1g s ILE 822 N -3.36 4.92 0.33 0.60 -1.09 0.50 -1.08 121.20 122.01 1f1g s ILE 822 Ca 0.01 1.41 0.03 0.00 -2.23 0.00 0.00 60.65 59.87 1f1g s ILE 822 Cb 0.03 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1f1g s ILE 822 CO -0.08 0.01 0.49 -1.00 -1.23 0.00 0.00 174.94 173.13 1f1g s HIS 823 N 2.40 3.36 0.21 3.97 3.76 0.66 -1.11 115.29 128.53 1f1g s HIS 823 Ca 0.32 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 55.24 1f1g s HIS 823 Cb -0.16 -1.88 0.15 0.00 1.11 0.00 0.00 32.58 31.80 1f1g s HIS 823 CO 0.09 0.12 1.83 1.49 -0.85 0.00 0.00 174.74 177.42 1f1g h GLU 824 N 0.85 1.05 -6.38 1.40 4.81 -0.76 -2.82 114.58 112.74 1f1g h GLU 824 Ca -0.49 -0.12 -0.69 0.00 -0.13 0.00 0.00 59.36 57.93 1f1g h GLU 824 Cb 1.24 -0.21 -0.22 0.00 0.63 0.00 0.00 28.75 30.19 1f1g h GLU 824 CO 0.59 0.78 -0.76 -0.06 -0.73 0.00 0.00 179.01 178.82 1f1g s PHE 825 N -5.86 2.71 -0.20 0.92 0.08 -0.38 -4.66 117.98 110.59 1f1g s PHE 825 Ca -0.13 -0.16 -0.03 0.00 0.12 0.00 0.00 56.93 56.74 1f1g s PHE 825 Cb 0.15 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 1f1g s PHE 825 CO 0.80 0.24 2.66 0.41 -0.10 0.00 0.00 175.22 179.23 1f1g n GLY 826 N 1.97 3.51 3.20 4.36 0.00 -0.83 -3.57 105.19 113.83 1f1g n GLY 826 Ca -0.17 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 1f1g n GLY 826 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f1g s ASP 827 N 1.13 4.97 -0.24 1.61 -1.08 -1.26 -4.94 116.67 116.86 1f1g s ASP 827 Ca 0.42 -1.20 0.14 0.00 -0.52 0.00 0.00 52.55 51.38 1f1g s ASP 827 Cb 0.25 -1.75 0.74 0.00 -1.46 0.00 0.00 42.92 40.69 1f1g s ASP 827 CO -0.06 -0.27 1.68 0.00 0.52 0.00 0.00 175.17 177.04 1f1g n ALA 828 N 4.68 3.80 0.32 3.66 0.00 -1.26 -3.09 120.51 128.61 1f1g n ALA 828 Ca -0.13 -2.11 0.14 0.00 0.00 0.00 0.00 53.44 51.34 1f1g n ALA 828 Cb 0.44 -1.04 0.45 0.00 0.00 0.00 0.00 19.45 19.30 1f1g n ALA 828 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1f1g h THR 829 N 3.22 0.00 -2.34 0.00 1.35 -1.93 -3.35 112.91 109.86 1f1g h THR 829 Ca 0.05 -0.63 -0.59 0.00 -0.55 0.00 0.00 66.41 64.69 1f1g h THR 829 Cb 1.91 1.59 -0.39 0.00 -1.73 0.00 0.00 68.15 69.54 1f1g h THR 829 CO 0.47 0.00 -0.94 -3.20 -0.25 0.00 0.00 175.52 171.60 1f1g n ASN 830 N -2.88 0.48 0.00 5.36 5.15 -1.26 -5.04 115.26 117.07 1f1g n ASN 830 Ca 0.03 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.35 1f1g n ASN 830 Cb 0.39 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 1f1g n ASN 830 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f1g n GLY 831 N 2.16 3.16 0.61 8.20 0.00 -1.26 -1.21 105.19 116.85 1f1g n GLY 831 Ca 0.26 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.37 1f1g n GLY 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1g h VAL 833 N 3.01 1.26 0.00 0.00 2.07 -1.51 -3.16 116.25 117.92 1f1g h VAL 833 Ca 0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1f1g h VAL 833 Cb 0.76 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1f1g h VAL 833 CO 0.00 0.39 0.00 -1.54 0.02 0.00 0.00 177.57 176.44 1f1g n SER 834 N -4.31 0.00 0.23 0.57 3.41 -1.08 -1.46 113.62 110.98 1f1g n SER 834 Ca 0.01 -0.38 0.16 0.00 -0.26 0.00 0.00 58.87 58.39 1f1g n SER 834 Cb 0.33 -0.17 0.72 0.00 -0.26 0.00 0.00 64.21 64.83 1f1g n SER 834 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f1g h ALA 835 N 3.37 1.00 -0.20 7.33 0.00 -1.50 -3.38 119.26 125.88 1f1g h ALA 835 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f1g h ALA 835 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1f1g h ALA 835 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1f1g n GLY 836 N -0.40 -1.44 3.93 0.00 0.00 -0.53 -1.25 105.19 105.49 1f1g n GLY 836 Ca -0.00 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 1f1g n GLY 836 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f1g n PRO 837 N -0.10 -1.00 -1.77 1.61 -0.04 -1.26 -4.64 135.00 127.79 1f1g n PRO 837 Ca 0.00 -2.27 -0.41 0.00 -0.04 0.00 0.00 63.50 60.77 1f1g n PRO 837 Cb 0.00 -1.20 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1f1g n PRO 837 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1f1g n HIS 838 N -3.60 2.97 -1.82 0.54 8.25 -1.26 -0.64 115.22 119.65 1f1g n HIS 838 Ca 0.17 0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 1f1g n HIS 838 Cb 0.59 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.14 1f1g n HIS 838 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1f1g s PHE 839 N -1.07 1.59 -0.41 4.41 5.36 -0.27 -4.51 117.98 123.09 1f1g s PHE 839 Ca 0.54 -0.12 0.10 0.00 -0.96 0.00 0.00 56.93 56.49 1f1g s PHE 839 Cb -0.48 -4.09 0.33 0.00 -0.34 0.00 0.00 43.02 38.45 1f1g s PHE 839 CO 0.63 -4.71 0.87 -1.71 -1.46 0.00 0.00 175.22 168.84 1f1g n ASN 840 N 7.60 -0.45 0.27 6.13 5.15 -1.26 -1.39 115.26 131.31 1f1g n ASN 840 Ca 0.19 -3.27 0.13 0.00 -0.60 0.00 0.00 54.58 51.03 1f1g n ASN 840 Cb 0.42 0.39 0.77 0.00 -0.53 0.00 0.00 39.78 40.83 1f1g n ASN 840 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1f1g h PRO 841 N 3.04 0.00 -0.20 1.20 0.13 -1.98 -2.22 132.00 131.96 1f1g h PRO 841 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1f1g h PRO 841 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1f1g h PRO 841 CO 0.36 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.41 1f1g n PHE 842 N -3.70 0.25 -3.54 1.56 3.72 -1.26 -4.95 117.46 109.54 1f1g n PHE 842 Ca -0.02 -0.13 -0.19 0.00 -0.05 0.00 0.00 57.45 57.06 1f1g n PHE 842 Cb 0.20 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 1f1g n PHE 842 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f1g n LYS 843 N 0.87 -5.35 -3.27 -1.08 5.02 -0.84 -5.01 118.16 108.51 1f1g n LYS 843 Ca 0.17 0.74 -0.19 0.00 -2.02 0.00 0.00 58.31 57.02 1f1g n LYS 843 Cb 0.47 -5.52 -0.01 0.00 -0.02 0.00 0.00 35.03 29.96 1f1g n LYS 843 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1f1g s LYS 844 N -5.55 2.76 0.61 1.97 1.02 -1.26 -5.12 119.74 114.16 1f1g s LYS 844 Ca 0.06 -1.31 -0.08 0.00 0.02 0.00 0.00 55.97 54.65 1f1g s LYS 844 Cb -0.01 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1f1g s LYS 844 CO 0.77 -0.19 0.96 0.95 -0.92 0.00 0.00 175.35 176.92 1f1g s THR 845 N -2.37 4.12 0.23 2.17 -4.23 -1.26 -4.68 115.64 109.63 1f1g s THR 845 Ca 0.51 0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 61.10 1f1g s THR 845 Cb -0.08 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.02 1f1g s THR 845 CO 0.31 -0.75 1.39 -2.28 -0.54 0.00 0.00 174.62 172.75 1f1g s HIS 846 N -3.08 3.10 0.00 3.99 2.46 -0.19 -2.73 115.29 118.84 1f1g s HIS 846 Ca 0.54 1.10 0.00 0.00 0.47 0.00 0.00 55.06 57.17 1f1g s HIS 846 Cb -0.11 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.60 1f1g s HIS 846 CO 0.49 -2.37 0.00 0.41 -2.47 0.00 0.00 174.74 170.80 1f1g n GLY 847 N 2.23 3.15 3.85 1.59 0.00 -1.26 -4.09 105.19 110.66 1f1g n GLY 847 Ca 0.06 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 1f1g n GLY 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1g s ALA 848 N -1.50 3.16 0.38 4.61 0.00 -1.22 -4.73 121.76 122.46 1f1g s ALA 848 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 51.96 52.20 1f1g s ALA 848 Cb 0.00 -2.98 0.97 0.00 0.00 0.00 0.00 23.12 21.11 1f1g s ALA 848 CO 0.00 -0.05 1.83 -1.35 0.00 0.00 0.00 175.76 176.19 1f1g h PRO 849 N 1.33 0.51 -0.09 0.00 0.11 -1.90 -1.18 132.00 130.78 1f1g h PRO 849 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1f1g h PRO 849 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f1g h PRO 849 CO 0.62 0.34 0.00 0.25 -0.21 0.00 0.00 178.00 179.00 1f1g n THR 850 N -4.58 0.10 -2.68 -1.15 -2.24 -1.26 -4.84 114.28 97.63 1f1g n THR 850 Ca 0.20 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 1f1g n THR 850 Cb 0.65 0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1f1g n THR 850 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f1g s ASP 851 N -1.78 7.36 0.26 3.42 1.01 -0.45 -4.96 116.67 121.53 1f1g s ASP 851 Ca 0.35 1.98 -0.02 0.00 0.71 0.00 0.00 52.55 55.58 1f1g s ASP 851 Cb 0.19 -2.60 0.33 0.00 1.01 0.00 0.00 42.92 41.85 1f1g s ASP 851 CO 0.30 -0.05 1.75 -0.33 0.21 0.00 0.00 175.17 177.05 1f1g h GLU 852 N 3.56 0.79 -4.81 8.23 5.08 -1.88 -3.38 114.58 122.16 1f1g h GLU 852 Ca -0.46 -0.22 -0.70 0.00 -1.00 0.00 0.00 59.36 56.98 1f1g h GLU 852 Cb 1.20 -0.09 -0.19 0.00 0.50 0.00 0.00 28.75 30.17 1f1g h GLU 852 CO 0.66 0.80 -0.00 0.08 -1.00 0.00 0.00 179.01 179.55 1f1g s VAL 853 N -4.96 4.92 0.20 3.13 1.01 -1.26 -4.98 120.40 118.47 1f1g s VAL 853 Ca -0.09 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 1f1g s VAL 853 Cb 0.15 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1f1g s VAL 853 CO 0.81 -0.83 0.61 0.00 0.00 0.00 0.00 175.10 175.69 1f1g s ARG 854 N 2.48 1.45 0.45 2.72 1.70 -1.22 -4.21 118.95 122.31 1f1g s ARG 854 Ca 0.13 -0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 54.42 1f1g s ARG 854 Cb -0.21 0.57 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1f1g s ARG 854 CO 0.10 -0.64 1.14 -1.01 -1.08 0.00 0.00 175.30 173.82 1f1g s HIS 855 N -3.83 2.96 0.32 5.89 3.76 -1.11 -4.70 115.29 118.57 1f1g s HIS 855 Ca 0.06 1.56 0.09 0.00 -0.15 0.00 0.00 55.06 56.62 1f1g s HIS 855 Cb -0.02 -3.33 0.88 0.00 1.11 0.00 0.00 32.58 31.22 1f1g s HIS 855 CO -0.04 -1.32 1.72 0.28 -0.85 0.00 0.00 174.74 174.52 1f1g h VAL 856 N 1.94 0.52 -0.00 -0.90 2.07 -1.87 -1.99 116.25 116.02 1f1g h VAL 856 Ca -0.49 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1f1g h VAL 856 Cb 1.24 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1f1g h VAL 856 CO 0.61 0.10 -0.00 0.61 0.02 0.00 0.00 177.57 178.91 1f1g n GLY 857 N -1.31 -1.00 3.62 2.17 0.00 -0.48 -4.44 105.19 103.74 1f1g n GLY 857 Ca 0.27 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1f1g n GLY 857 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f1g s ASP 858 N -2.07 6.52 -0.15 1.61 1.01 -0.75 -0.37 116.67 122.47 1f1g s ASP 858 Ca 0.45 1.07 0.17 0.00 0.71 0.00 0.00 52.55 54.95 1f1g s ASP 858 Cb 0.22 -2.54 0.42 0.00 1.01 0.00 0.00 42.92 42.02 1f1g s ASP 858 CO 0.38 -1.23 1.30 0.23 0.21 0.00 0.00 175.17 176.06 1f1g n MET 859 N 7.65 2.27 0.00 8.23 2.81 -0.55 -4.32 117.12 133.21 1f1g n MET 859 Ca 0.16 -2.68 0.00 0.00 -1.81 0.00 0.00 57.70 53.36 1f1g n MET 859 Cb 0.47 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1f1g n MET 859 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f1g n GLY 860 N -0.85 0.65 3.80 3.03 0.00 -1.21 -4.70 105.19 105.91 1f1g n GLY 860 Ca 0.18 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1f1g n GLY 860 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1g s ASN 861 N -4.00 5.76 -0.08 1.61 0.01 -1.26 -0.99 114.94 115.99 1f1g s ASN 861 Ca 0.00 0.17 -0.03 0.00 -0.71 0.00 0.00 52.86 52.28 1f1g s ASN 861 Cb 0.00 -1.67 -0.04 0.00 0.41 0.00 0.00 41.25 39.95 1f1g s ASN 861 CO 0.00 0.27 0.07 0.68 -1.51 0.00 0.00 177.10 176.61 1f1g s VAL 862 N -1.22 4.87 0.10 1.60 -7.23 0.06 -4.84 120.40 113.75 1f1g s VAL 862 Ca 0.24 -0.11 -0.25 0.00 -1.81 0.00 0.00 61.98 60.05 1f1g s VAL 862 Cb -0.12 -3.12 -0.07 0.00 0.56 0.00 0.00 36.38 33.63 1f1g s VAL 862 CO 0.15 0.55 0.75 -0.54 -0.31 0.00 0.00 175.10 175.70 1f1g s LYS 863 N -1.14 4.50 0.02 4.82 1.02 -1.26 -1.08 119.74 126.62 1f1g s LYS 863 Ca 0.16 1.07 0.03 0.00 0.02 0.00 0.00 55.97 57.26 1f1g s LYS 863 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1f1g s LYS 863 CO 0.06 0.44 -0.03 0.95 -0.92 0.00 0.00 175.35 175.85 1f1g s THR 864 N -0.63 3.87 0.00 2.17 -4.23 0.25 -4.27 115.64 112.81 1f1g s THR 864 Ca 0.36 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1f1g s THR 864 Cb -0.22 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1f1g s THR 864 CO 0.24 0.32 0.00 -0.90 -0.54 0.00 0.00 174.62 173.74 1f1g n ASP 865 N 1.28 0.00 0.13 3.99 5.68 0.08 -2.46 116.55 125.24 1f1g n ASP 865 Ca -0.14 -0.77 0.12 0.00 -0.50 0.00 0.00 54.79 53.49 1f1g n ASP 865 Cb 0.52 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.99 1f1g n ASP 865 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1f1g n GLU 866 N -0.77 0.19 -0.21 0.11 0.00 -1.26 -1.13 120.64 117.55 1f1g n GLU 866 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 57.16 57.69 1f1g n GLU 866 Cb 0.00 -1.86 0.22 0.00 0.00 0.00 0.00 31.44 29.80 1f1g n GLU 866 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1f1g n ASN 867 N -2.21 3.45 0.00 -1.84 5.03 -1.26 -4.79 115.26 113.64 1f1g n ASN 867 Ca 0.02 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.50 1f1g n ASN 867 Cb 0.22 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.70 1f1g n ASN 867 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f1g n GLY 868 N 1.41 0.47 3.76 7.41 0.00 -0.65 -4.65 105.19 112.95 1f1g n GLY 868 Ca 0.19 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1f1g n GLY 868 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 869 N -2.00 5.41 -0.19 1.61 1.01 -1.26 -1.85 120.40 123.13 1f1g s VAL 869 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1f1g s VAL 869 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1f1g s VAL 869 CO 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.56 1f1g s ALA 870 N 0.03 2.97 -0.06 5.51 0.00 0.47 -0.74 121.76 129.93 1f1g s ALA 870 Ca 0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1f1g s ALA 870 Cb -0.11 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.37 1f1g s ALA 870 CO -0.01 -0.07 0.14 0.21 0.00 0.00 0.00 175.76 176.03 1f1g s LYS 871 N 0.86 0.08 0.00 0.00 2.20 -1.26 -0.30 119.74 121.31 1f1g s LYS 871 Ca -0.00 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1f1g s LYS 871 Cb -0.14 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.99 1f1g s LYS 871 CO 0.02 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1f1g n GLY 872 N 4.20 -1.16 3.43 5.54 0.00 -0.86 -5.00 105.19 111.34 1f1g n GLY 872 Ca -0.27 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1f1g n GLY 872 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f1g s SER 873 N -1.92 -0.52 0.19 1.61 1.04 -1.26 -1.08 113.70 111.77 1f1g s SER 873 Ca 0.00 0.27 -0.20 0.00 0.48 0.00 0.00 55.95 56.50 1f1g s SER 873 Cb 0.00 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.69 1f1g s SER 873 CO 0.00 -0.74 0.57 0.72 0.98 0.00 0.00 173.24 174.77 1f1g s PHE 874 N -2.39 -0.28 -0.03 5.02 -0.12 -0.15 -5.00 117.98 115.04 1f1g s PHE 874 Ca -0.05 -0.04 -0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1f1g s PHE 874 Cb -0.01 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1f1g s PHE 874 CO -0.01 -0.93 0.03 0.15 -0.05 0.00 0.00 175.22 174.41 1f1g s LYS 875 N -3.84 2.95 -0.01 1.99 1.02 -1.26 -0.60 119.74 119.98 1f1g s LYS 875 Ca 0.06 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 1f1g s LYS 875 Cb -0.02 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1f1g s LYS 875 CO -0.05 0.66 0.03 0.34 -0.92 0.00 0.00 175.35 175.41 1f1g s ASP 876 N -1.44 -0.03 0.00 2.83 2.15 -0.01 -4.95 116.67 115.22 1f1g s ASP 876 Ca 0.19 0.07 0.18 0.00 0.43 0.00 0.00 52.55 53.41 1f1g s ASP 876 Cb -0.12 0.07 0.09 0.00 -0.30 0.00 0.00 42.92 42.66 1f1g s ASP 876 CO 0.09 -0.01 1.00 -1.20 -0.17 0.00 0.00 175.17 174.88 1f1g n SER 877 N 3.06 2.19 -0.03 -0.34 7.64 -1.26 -0.54 113.62 124.34 1f1g n SER 877 Ca -0.12 -1.60 -0.13 0.00 1.01 0.00 0.00 58.87 58.04 1f1g n SER 877 Cb 0.60 0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 63.84 1f1g n SER 877 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f1g n LEU 878 N 0.58 1.35 -4.70 -3.43 4.77 -1.26 -4.88 117.00 109.44 1f1g n LEU 878 Ca 0.09 0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 1f1g n LEU 878 Cb 0.42 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1f1g n LEU 878 CO 0.15 0.56 0.97 -0.63 -1.33 0.00 0.00 177.39 177.10 1f1g s ILE 879 N -2.57 4.07 0.04 -0.08 1.01 -1.26 -4.99 121.20 117.42 1f1g s ILE 879 Ca -0.12 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.00 1f1g s ILE 879 Cb 0.07 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1f1g s ILE 879 CO 0.80 0.03 -0.08 -0.54 0.00 0.00 0.00 174.94 175.16 1f1g s LYS 880 N 1.89 0.53 0.00 2.79 1.02 -1.26 -3.96 119.74 120.74 1f1g s LYS 880 Ca 0.58 -0.75 0.19 0.00 0.02 0.00 0.00 55.97 56.02 1f1g s LYS 880 Cb -0.28 -0.30 0.31 0.00 -0.52 0.00 0.00 37.83 37.05 1f1g s LYS 880 CO 0.25 0.05 1.26 1.28 -0.92 0.00 0.00 175.35 177.27 1f1g n LEU 881 N 1.50 3.05 -3.87 3.17 4.77 -1.26 -0.99 117.00 123.37 1f1g n LEU 881 Ca -0.23 -1.40 -0.16 0.00 -0.03 0.00 0.00 56.01 54.19 1f1g n LEU 881 Cb 0.55 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 41.32 1f1g n LEU 881 CO 0.21 0.64 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.89 1f1g s ILE 882 N -1.39 0.26 0.00 -0.08 1.01 -1.26 -4.79 121.20 114.94 1f1g s ILE 882 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1f1g s ILE 882 Cb 0.18 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.36 1f1g s ILE 882 CO 0.26 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1f1g n GLY 883 N 3.72 -4.00 0.15 6.18 0.00 -1.26 -4.31 105.19 105.67 1f1g n GLY 883 Ca -0.22 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 43.83 1f1g n GLY 883 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f1g h PRO 884 N 0.00 0.00 -0.57 1.61 0.13 -2.00 -1.51 132.00 129.67 1f1g h PRO 884 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1f1g h PRO 884 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1f1g h PRO 884 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1f1g n THR 885 N -2.36 2.06 -1.65 1.56 -2.24 -1.26 -5.02 114.28 105.38 1f1g n THR 885 Ca 0.02 -1.32 -0.43 0.00 -2.27 0.00 0.00 64.05 60.04 1f1g n THR 885 Cb 0.23 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1f1g n THR 885 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f1g n SER 886 N 0.77 2.01 -0.76 3.42 2.88 -0.57 -4.54 113.62 116.83 1f1g n SER 886 Ca 0.25 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 59.08 1f1g n SER 886 Cb 0.94 -1.39 0.31 0.00 -0.75 0.00 0.00 64.21 63.32 1f1g n SER 886 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1f1g n VAL 887 N 0.18 0.18 -1.85 2.46 0.24 -0.16 -4.88 118.33 114.50 1f1g n VAL 887 Ca 0.07 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 1f1g n VAL 887 Cb 0.35 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 1f1g n VAL 887 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f1g s VAL 888 N -1.82 2.36 0.00 3.34 1.01 -1.26 -1.21 120.40 122.82 1f1g s VAL 888 Ca 0.34 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1f1g s VAL 888 Cb 0.20 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1f1g s VAL 888 CO 0.30 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1f1g n GLY 889 N 3.71 0.78 0.00 4.51 0.00 0.64 -5.02 105.19 109.82 1f1g n GLY 889 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1f1g n GLY 889 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1g n ARG 890 N -2.26 2.82 -4.25 1.61 1.74 -0.35 -1.97 116.66 113.99 1f1g n ARG 890 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 1f1g n ARG 890 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1f1g n ARG 890 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1f1g s SER 891 N -0.96 2.02 -0.12 0.55 0.01 -1.06 -0.34 113.70 113.81 1f1g s SER 891 Ca 0.00 -0.84 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 1f1g s SER 891 Cb 0.00 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1f1g s SER 891 CO 0.00 -0.16 0.04 -0.69 0.41 0.00 0.00 173.24 172.84 1f1g s VAL 892 N -2.26 4.60 -0.07 3.43 1.01 0.28 -0.25 120.40 127.14 1f1g s VAL 892 Ca 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1f1g s VAL 892 Cb -0.04 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 1f1g s VAL 892 CO 0.03 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 1f1g s VAL 893 N -0.56 1.69 -0.16 2.92 1.01 -0.24 -1.49 120.40 123.56 1f1g s VAL 893 Ca 0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1f1g s VAL 893 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1f1g s VAL 893 CO 0.02 0.48 0.05 -0.51 0.00 0.00 0.00 175.10 175.13 1f1g s ILE 894 N 0.19 4.65 0.32 2.22 1.10 -0.85 -1.99 121.20 126.84 1f1g s ILE 894 Ca -0.10 -0.09 0.04 0.00 -0.51 0.00 0.00 60.65 60.00 1f1g s ILE 894 Cb -0.15 -3.07 -0.02 0.00 0.15 0.00 0.00 42.46 39.38 1f1g s ILE 894 CO 0.05 0.49 0.47 -1.00 -2.11 0.00 0.00 174.94 172.84 1f1g s HIS 895 N 0.14 3.31 -0.83 3.50 3.76 -0.16 -3.23 115.29 121.78 1f1g s HIS 895 Ca 0.04 0.00 0.25 0.00 -0.15 0.00 0.00 55.06 55.20 1f1g s HIS 895 Cb -0.12 -1.86 0.60 0.00 1.11 0.00 0.00 32.58 32.30 1f1g s HIS 895 CO 0.01 0.13 1.50 0.00 -0.85 0.00 0.00 174.74 175.53 1f1g n ALA 896 N -1.63 2.96 -2.67 -1.40 0.00 -0.17 -4.41 120.51 113.20 1f1g n ALA 896 Ca -0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 1f1g n ALA 896 Cb 0.57 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 1f1g n ALA 896 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f1g s GLY 897 N -3.32 2.70 0.23 0.00 0.00 -0.19 -4.94 107.32 101.80 1f1g s GLY 897 Ca 0.10 -1.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 1f1g s GLY 897 CO 0.67 -2.12 0.91 1.62 0.00 0.00 0.00 173.10 174.18 1f1g s GLN 898 N -3.78 4.80 -0.08 2.90 0.74 -1.21 -0.77 119.66 122.25 1f1g s GLN 898 Ca 0.23 1.43 -0.28 0.00 0.05 0.00 0.00 55.36 56.79 1f1g s GLN 898 Cb 0.07 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1f1g s GLN 898 CO 0.12 0.51 0.93 0.34 -0.55 0.00 0.00 175.29 176.64 1f1g s ASP 899 N -1.20 7.19 0.00 6.67 -1.08 -1.26 -3.83 116.67 123.16 1f1g s ASP 899 Ca 0.41 1.46 0.15 0.00 -0.52 0.00 0.00 52.55 54.04 1f1g s ASP 899 Cb -0.25 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.27 1f1g s ASP 899 CO 0.31 -0.34 1.42 -0.90 0.52 0.00 0.00 175.17 176.17 1f1g n ASP 900 N 4.58 1.22 -1.28 -0.34 5.68 0.72 -4.85 116.55 122.28 1f1g n ASP 900 Ca 0.06 -1.78 -0.16 0.00 -0.50 0.00 0.00 54.79 52.41 1f1g n ASP 900 Cb 0.50 -0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 1f1g n ASP 900 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f1g n LEU 901 N 0.08 -1.22 0.00 -2.12 4.77 -1.26 -1.69 117.00 115.56 1f1g n LEU 901 Ca 0.12 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1f1g n LEU 901 Cb 0.23 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 1f1g n LEU 901 CO 0.09 -0.72 0.00 0.61 -1.33 0.00 0.00 177.39 176.04 1f1g n GLY 902 N -1.06 0.50 1.10 -0.72 0.00 -1.25 -3.45 105.19 100.30 1f1g n GLY 902 Ca -0.16 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1f1g n GLY 902 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f1g n LYS 903 N -2.97 2.79 -1.92 1.61 4.01 -0.68 -4.69 118.16 116.31 1f1g n LYS 903 Ca 0.00 -2.45 -0.22 0.00 -0.51 0.00 0.00 58.31 55.13 1f1g n LYS 903 Cb 0.00 -1.46 0.14 0.00 -0.51 0.00 0.00 35.03 33.20 1f1g n LYS 903 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1f1g n GLY 904 N 1.23 -0.46 0.13 0.72 0.00 -1.26 -4.99 105.19 100.56 1f1g n GLY 904 Ca 0.20 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1f1g n GLY 904 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1f1g h ASP 905 N -1.03 0.35 -2.04 1.61 2.03 -2.00 -3.47 116.42 111.88 1f1g h ASP 905 Ca -0.33 -0.42 -0.62 0.00 -0.73 0.00 0.00 57.03 54.93 1f1g h ASP 905 Cb 1.02 -0.10 0.12 0.00 -0.83 0.00 0.00 39.33 39.55 1f1g h ASP 905 CO 0.28 0.69 -0.19 0.41 -1.03 0.00 0.00 179.24 179.41 1f1g n THR 906 N -4.62 1.94 -0.35 1.15 -1.04 -1.26 -4.88 114.28 105.21 1f1g n THR 906 Ca -0.06 -0.50 0.09 0.00 -2.04 0.00 0.00 64.05 61.54 1f1g n THR 906 Cb 0.31 -0.61 0.26 0.00 -1.82 0.00 0.00 70.33 68.47 1f1g n THR 906 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1f1g h GLU 907 N 1.41 0.87 -0.66 -2.82 4.22 -2.01 -2.02 114.58 113.58 1f1g h GLU 907 Ca -0.37 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.06 1f1g h GLU 907 Cb 1.38 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1f1g h GLU 907 CO 0.57 0.57 0.43 1.49 -2.18 0.00 0.00 179.01 179.90 1f1g h GLU 908 N 0.89 0.74 -0.96 1.92 4.57 -1.98 -1.12 114.58 118.64 1f1g h GLU 908 Ca 0.52 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.73 1f1g h GLU 908 Cb 0.63 -0.17 -0.07 0.00 -0.16 0.00 0.00 28.75 28.98 1f1g h GLU 908 CO -0.31 0.49 0.61 1.03 -1.18 0.00 0.00 179.01 179.65 1f1g h SER 909 N 0.76 0.96 0.44 1.04 0.87 -1.70 0.42 113.55 116.34 1f1g h SER 909 Ca 0.27 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1f1g h SER 909 Cb 0.11 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1f1g h SER 909 CO -0.08 0.59 0.00 0.18 -0.53 0.00 0.00 176.83 176.99 1f1g n LEU 910 N -4.56 0.00 -0.11 2.23 4.77 -0.44 -1.60 117.00 117.29 1f1g n LEU 910 Ca 0.15 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.13 1f1g n LEU 910 Cb 0.22 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1f1g n LEU 910 CO 0.31 -0.02 -1.27 0.29 -1.33 0.00 0.00 177.39 175.36 1f1g n LYS 911 N -1.24 0.48 0.00 3.23 4.76 -0.39 -1.02 118.16 123.98 1f1g n LYS 911 Ca 0.14 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1f1g n LYS 911 Cb 0.20 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1f1g n LYS 911 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1f1g n THR 912 N -4.03 0.00 -1.00 -0.18 -2.24 0.00 -4.72 114.28 102.12 1f1g n THR 912 Ca -0.44 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1f1g n THR 912 Cb 0.81 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1f1g n THR 912 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f1g n GLY 913 N 0.57 0.22 2.69 3.38 0.00 -0.62 -3.27 105.19 108.16 1f1g n GLY 913 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1f1g n GLY 913 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f1g n ASN 914 N -0.55 -5.65 0.00 1.61 3.02 -1.26 -0.20 115.26 112.23 1f1g n ASN 914 Ca 0.00 -0.11 0.14 0.00 -0.03 0.00 0.00 54.58 54.58 1f1g n ASN 914 Cb 0.28 -4.65 0.72 0.00 -0.61 0.00 0.00 39.78 35.51 1f1g n ASN 914 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1g n ALA 915 N -2.70 2.42 -0.22 5.41 0.00 -1.20 -4.67 120.51 119.55 1f1g n ALA 915 Ca -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1f1g n ALA 915 Cb 0.65 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1f1g n ALA 915 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1g n GLY 916 N 1.15 -0.68 3.51 0.00 0.00 -1.26 -1.02 105.19 106.89 1f1g n GLY 916 Ca 0.14 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1f1g n GLY 916 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f1g n PRO 917 N 0.00 -1.45 -3.58 1.61 -0.02 -1.26 -4.69 135.00 125.61 1f1g n PRO 917 Ca 0.00 -0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 60.78 1f1g n PRO 917 Cb 0.00 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.24 1f1g n PRO 917 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1f1g n ARG 918 N -4.06 2.56 0.25 -0.52 1.74 -1.26 -1.00 116.66 114.37 1f1g n ARG 918 Ca 0.06 -4.56 0.11 0.00 -0.77 0.00 0.00 57.85 52.69 1f1g n ARG 918 Cb 0.54 -2.34 0.68 0.00 -1.02 0.00 0.00 32.46 30.32 1f1g n ARG 918 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1f1g h PRO 919 N 5.17 0.00 -3.34 5.56 0.13 -1.87 -3.44 132.00 134.20 1f1g h PRO 919 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 1f1g h PRO 919 Cb 0.72 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.71 1f1g h PRO 919 CO 0.86 0.13 -0.16 0.00 -0.23 0.00 0.00 178.00 178.60 1f1g s ALA 920 N -4.32 -0.79 0.11 -0.56 0.00 -1.22 -4.03 121.76 110.95 1f1g s ALA 920 Ca -0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 1f1g s ALA 920 Cb 0.14 0.50 0.08 0.00 0.00 0.00 0.00 23.12 23.83 1f1g s ALA 920 CO 0.61 -0.53 0.80 0.00 0.00 0.00 0.00 175.76 176.65 1f1g s GLY 922 N -2.70 -0.44 0.27 0.00 0.00 -0.56 -1.35 107.32 102.54 1f1g s GLY 922 Ca 0.06 1.17 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 1f1g s GLY 922 CO -0.06 0.88 1.03 0.14 0.00 0.00 0.00 173.10 175.09 1f1g s VAL 923 N -0.85 3.73 -0.27 1.40 1.01 -1.26 -0.56 120.40 123.60 1f1g s VAL 923 Ca -0.09 1.71 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 1f1g s VAL 923 Cb -0.02 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1f1g s VAL 923 CO 0.06 0.38 0.91 -0.63 0.00 0.00 0.00 175.10 175.83 1f1g s ILE 924 N -1.21 4.73 0.19 2.22 1.01 0.54 -4.31 121.20 124.37 1f1g s ILE 924 Ca 0.44 1.58 0.10 0.00 0.00 0.00 0.00 60.65 62.78 1f1g s ILE 924 Cb -0.29 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1f1g s ILE 924 CO 0.36 -0.22 -0.17 -0.83 0.00 0.00 0.00 174.94 174.08 1f1g s GLY 925 N 1.45 1.72 0.38 6.18 0.00 0.18 -0.26 107.32 116.98 1f1g s GLY 925 Ca 0.38 -1.58 -0.26 0.00 0.00 0.00 0.00 44.72 43.26 1f1g s GLY 925 CO 0.10 -1.60 1.19 1.08 0.00 0.00 0.00 173.10 173.87 1f1g s LEU 926 N -2.79 4.24 0.00 0.66 1.43 -1.26 -0.58 118.68 120.38 1f1g s LEU 926 Ca 0.23 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1f1g s LEU 926 Cb -0.08 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1f1g s LEU 926 CO 0.13 -0.64 0.00 1.07 0.23 0.00 0.00 176.35 177.14 1f1g n THR 927 N 0.23 0.00 -1.31 5.49 5.66 -0.45 -4.84 114.28 119.06 1f1g n THR 927 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1f1g n THR 927 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1f1g n THR 927 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56