#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 h GLN 776 N 0.00 -0.15 0.47 3.17 7.50 -2.06 -3.28 115.11 120.76 1sr2 h GLN 776 Ca 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.14 1sr2 h GLN 776 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.57 1sr2 h GLN 776 CO 0.00 0.24 -0.23 0.93 -1.50 0.00 0.00 178.83 178.28 1sr2 h GLU 777 N -0.96 -0.61 -3.41 1.46 4.39 -2.13 -3.29 114.58 110.05 1sr2 h GLU 777 Ca -0.02 0.04 -0.70 0.00 0.34 0.00 0.00 59.36 59.02 1sr2 h GLU 777 Cb 0.46 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1sr2 h GLU 777 CO 0.03 -0.40 3.23 0.00 -1.16 0.00 0.00 179.01 180.70 1sr2 n ALA 778 N -2.43 6.47 -1.63 3.43 0.00 -1.26 -4.95 120.51 120.14 1sr2 n ALA 778 Ca -0.08 -3.81 -0.33 0.00 0.00 0.00 0.00 53.44 49.22 1sr2 n ALA 778 Cb 0.25 -3.34 0.02 0.00 0.00 0.00 0.00 19.45 16.38 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sr2 s VAL 779 N 2.03 3.70 0.26 0.00 0.11 -1.24 -4.42 120.40 120.84 1sr2 s VAL 779 Ca 0.56 0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 60.10 1sr2 s VAL 779 Cb 0.16 -3.32 -0.10 0.00 -1.53 0.00 0.00 36.38 31.58 1sr2 s VAL 779 CO -0.07 -0.49 1.43 -0.76 -3.33 0.00 0.00 175.10 171.88 1sr2 s LEU 780 N -4.63 4.39 0.37 2.54 1.43 -1.26 -5.02 118.68 116.50 1sr2 s LEU 780 Ca 0.64 2.69 0.07 0.00 -1.03 0.00 0.00 54.13 56.50 1sr2 s LEU 780 Cb -0.17 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 1sr2 s LEU 780 CO 0.39 -0.69 0.42 -1.10 0.23 0.00 0.00 176.35 175.59 1sr2 s GLN 781 N -0.58 2.80 -0.00 1.70 -1.52 -1.26 -5.04 119.66 115.75 1sr2 s GLN 781 Ca 0.58 -1.27 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 1sr2 s GLN 781 Cb -0.42 -2.60 -0.00 0.00 -0.22 0.00 0.00 33.01 29.77 1sr2 s GLN 781 CO 0.45 -0.06 -0.00 1.47 -0.25 0.00 0.00 175.29 176.90 1sr2 n LEU 782 N -1.59 2.67 -1.98 2.90 -0.00 -1.26 -4.74 117.00 113.01 1sr2 n LEU 782 Ca 0.02 -0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.86 1sr2 n LEU 782 Cb 0.60 -0.01 0.01 0.00 -0.00 0.00 0.00 43.42 44.01 1sr2 n LEU 782 CO 0.42 0.45 1.29 -0.38 -0.00 0.00 0.00 177.39 179.17 1sr2 n ILE 783 N -2.57 2.83 0.15 1.47 5.41 -1.26 -3.89 119.36 121.50 1sr2 n ILE 783 Ca -0.01 -1.80 0.02 0.00 1.00 0.00 0.00 62.75 61.96 1sr2 n ILE 783 Cb 0.51 -1.43 0.15 0.00 -0.71 0.00 0.00 39.64 38.16 1sr2 n ILE 783 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1sr2 h GLU 784 N 1.80 0.00 0.00 0.38 4.11 -2.02 -3.42 114.58 115.43 1sr2 h GLU 784 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1sr2 h GLU 784 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1sr2 h GLU 784 CO 0.69 0.52 0.00 1.33 0.07 0.00 0.00 179.01 181.62 1sr2 n VAL 785 N -3.41 0.00 0.00 -1.06 0.24 -1.26 -5.10 118.33 107.74 1sr2 n VAL 785 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1sr2 n VAL 785 Cb 0.66 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1sr2 n VAL 785 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1sr2 n GLN 786 N -2.28 0.00 0.00 7.34 -0.06 -1.25 -1.40 117.38 119.74 1sr2 n GLN 786 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.14 1sr2 n GLN 786 Cb 0.00 0.00 0.79 0.00 -4.06 0.00 0.00 30.24 26.97 1sr2 n GLN 786 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1sr2 n LEU 787 N 0.00 0.00 -0.59 1.69 4.32 -1.26 -2.31 117.00 118.85 1sr2 n LEU 787 Ca 0.00 0.17 0.13 0.00 -0.02 0.00 0.00 56.01 56.29 1sr2 n LEU 787 Cb 0.00 -0.17 0.27 0.00 -1.62 0.00 0.00 43.42 41.90 1sr2 n LEU 787 CO 0.00 -0.01 0.66 0.00 -1.22 0.00 0.00 177.39 176.82 1sr2 n ALA 788 N -1.17 2.81 -2.77 -1.18 0.00 -0.49 -4.37 120.51 113.34 1sr2 n ALA 788 Ca 0.17 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1sr2 n ALA 788 Cb 0.18 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1sr2 n ALA 788 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sr2 n GLN 789 N 0.35 1.17 -2.64 0.00 6.02 -0.98 -5.09 117.38 116.22 1sr2 n GLN 789 Ca 0.14 -3.32 -0.06 0.00 -0.01 0.00 0.00 57.00 53.76 1sr2 n GLN 789 Cb 0.45 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.34 1sr2 n GLN 789 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1sr2 n GLU 790 N -0.00 0.47 0.00 -1.09 -0.58 -1.26 -4.88 120.64 113.30 1sr2 n GLU 790 Ca 0.13 -1.32 0.00 0.00 -0.42 0.00 0.00 57.16 55.55 1sr2 n GLU 790 Cb 0.78 1.42 0.00 0.00 -0.57 0.00 0.00 31.44 33.07 1sr2 n GLU 790 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1sr2 n GLU 791 N -0.29 0.00 -4.31 3.49 -0.58 -1.26 -4.87 120.64 112.82 1sr2 n GLU 791 Ca -0.02 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.41 1sr2 n GLU 791 Cb 0.31 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.08 1sr2 n GLU 791 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1sr2 n VAL 792 N 0.00 -1.09 -1.30 2.62 0.24 -1.26 -4.80 118.33 112.74 1sr2 n VAL 792 Ca 0.00 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.46 1sr2 n VAL 792 Cb 0.00 -1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 31.24 1sr2 n VAL 792 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sr2 n THR 793 N -4.53 4.17 -4.72 3.34 -2.24 -1.26 -4.89 114.28 104.15 1sr2 n THR 793 Ca -0.29 -2.53 -0.33 0.00 -2.27 0.00 0.00 64.05 58.63 1sr2 n THR 793 Cb 0.68 -2.59 -0.12 0.00 -2.10 0.00 0.00 70.33 66.20 1sr2 n THR 793 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sr2 s GLU 794 N 2.30 2.58 -0.30 -0.78 0.41 -1.26 -5.10 118.70 116.55 1sr2 s GLU 794 Ca 0.67 -0.65 -0.10 0.00 -0.41 0.00 0.00 54.97 54.48 1sr2 s GLU 794 Cb 0.17 -2.47 0.15 0.00 -1.78 0.00 0.00 34.13 30.20 1sr2 s GLU 794 CO -0.06 0.63 0.71 -1.54 -0.49 0.00 0.00 175.26 174.51 1sr2 s SER 795 N -0.89 -1.07 0.28 -0.19 1.04 -1.26 -5.15 113.70 106.45 1sr2 s SER 795 Ca 0.13 1.32 -0.30 0.00 0.48 0.00 0.00 55.95 57.58 1sr2 s SER 795 Cb -0.11 2.16 -0.12 0.00 0.10 0.00 0.00 66.02 68.06 1sr2 s SER 795 CO 0.02 -0.20 1.63 -2.16 0.98 0.00 0.00 173.24 173.50 1sr2 s PRO 796 N 2.82 4.12 0.32 4.02 0.04 -1.26 -4.99 135.00 140.07 1sr2 s PRO 796 Ca -0.02 2.59 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 1sr2 s PRO 796 Cb -0.11 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 1sr2 s PRO 796 CO -0.19 -0.67 0.69 -0.51 0.04 0.00 0.00 177.00 176.36 1sr2 s LEU 797 N -0.13 4.01 0.16 -3.56 1.43 -1.26 -4.95 118.68 114.38 1sr2 s LEU 797 Ca 0.66 1.11 0.17 0.00 -1.03 0.00 0.00 54.13 55.03 1sr2 s LEU 797 Cb -0.48 -3.93 0.76 0.00 0.03 0.00 0.00 46.19 42.57 1sr2 s LEU 797 CO 0.45 -0.23 1.52 0.61 0.23 0.00 0.00 176.35 178.92 1sr2 n GLY 798 N -0.65 -0.99 1.02 -3.19 0.00 -1.26 -4.83 105.19 95.29 1sr2 n GLY 798 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1sr2 n GLY 798 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sr2 n GLY 799 N -0.51 0.75 2.73 -0.02 0.00 -1.26 -5.01 105.19 101.86 1sr2 n GLY 799 Ca 0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1sr2 n GLY 799 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sr2 s ASP 800 N -2.00 1.90 0.29 1.61 -1.08 -1.26 -5.02 116.67 111.10 1sr2 s ASP 800 Ca 0.00 -0.78 -0.02 0.00 -0.52 0.00 0.00 52.55 51.23 1sr2 s ASP 800 Cb 0.00 0.39 0.41 0.00 -1.46 0.00 0.00 42.92 42.26 1sr2 s ASP 800 CO 0.00 -0.39 1.88 -0.33 0.52 0.00 0.00 175.17 176.85 1sr2 h GLU 801 N 8.29 0.94 -0.22 4.34 3.07 -1.98 0.21 114.58 129.23 1sr2 h GLU 801 Ca -0.15 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 1sr2 h GLU 801 Cb 1.07 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1sr2 h GLU 801 CO 0.35 0.74 0.06 -0.97 -1.40 0.00 0.00 179.01 177.79 1sr2 h ASN 802 N 0.94 0.33 -0.59 1.42 -1.24 -1.95 0.12 115.58 114.61 1sr2 h ASN 802 Ca 0.23 -0.21 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 1sr2 h ASN 802 Cb 0.12 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 1sr2 h ASN 802 CO -0.03 0.46 0.19 0.00 -1.29 0.00 0.00 177.43 176.76 1sr2 h ALA 803 N 0.89 0.77 0.26 1.57 0.00 -1.88 -0.97 119.26 119.90 1sr2 h ALA 803 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sr2 h ALA 803 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sr2 h ALA 803 CO -0.00 0.43 -0.27 0.37 0.00 0.00 0.00 179.25 179.78 1sr2 h GLN 804 N 0.83 -0.55 -0.46 0.00 4.15 -0.41 0.47 115.11 119.14 1sr2 h GLN 804 Ca 0.19 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.73 1sr2 h GLN 804 Cb 0.28 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 1sr2 h GLN 804 CO -0.01 -0.36 0.02 -0.07 -1.93 0.00 0.00 178.83 176.48 1sr2 h LEU 805 N -0.57 -0.15 0.58 -2.39 4.07 -0.61 -2.04 115.31 114.20 1sr2 h LEU 805 Ca -0.01 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1sr2 h LEU 805 Cb 0.53 0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.45 1sr2 h LEU 805 CO -0.06 -0.04 -0.28 0.45 -1.08 0.00 0.00 178.44 177.43 1sr2 h HIS 806 N 0.13 -0.73 -0.25 1.13 3.86 -0.92 0.32 115.15 118.69 1sr2 h HIS 806 Ca 0.23 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 1sr2 h HIS 806 Cb 0.33 0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1sr2 h HIS 806 CO -0.28 -0.39 -0.17 0.00 0.86 0.00 0.00 177.93 177.95 1sr2 h ALA 807 N -0.81 1.24 0.00 2.45 0.00 -0.84 -2.01 119.26 119.28 1sr2 h ALA 807 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sr2 h ALA 807 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sr2 h ALA 807 CO 0.13 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.54 1sr2 h SER 808 N 0.40 0.00 0.00 0.00 4.64 -1.46 -3.46 113.55 113.67 1sr2 h SER 808 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1sr2 h SER 808 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1sr2 h SER 808 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1sr2 n GLY 809 N 0.94 0.74 0.01 -0.77 0.00 -0.76 -4.88 105.19 100.47 1sr2 n GLY 809 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1sr2 n GLY 809 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sr2 n TYR 810 N -2.48 0.00 -0.13 1.61 4.01 -1.00 -3.33 117.16 115.84 1sr2 n TYR 810 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1sr2 n TYR 810 Cb 0.00 -0.32 0.43 0.00 -0.31 0.00 0.00 39.34 39.14 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1sr2 h TYR 811 N 0.05 0.59 -0.42 -0.72 3.20 -1.22 0.20 116.97 118.65 1sr2 h TYR 811 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1sr2 h TYR 811 Cb 0.34 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1sr2 h TYR 811 CO 0.00 0.30 0.26 0.00 -1.64 0.00 0.00 178.16 177.08 1sr2 h ALA 812 N 1.66 0.53 -0.48 1.82 0.00 -1.85 0.15 119.26 121.09 1sr2 h ALA 812 Ca 0.29 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1sr2 h ALA 812 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1sr2 h ALA 812 CO -0.09 -0.05 -0.18 1.25 0.00 0.00 0.00 179.25 180.18 1sr2 h LEU 813 N 0.53 0.97 -0.82 0.00 7.12 -1.41 -1.85 115.31 119.84 1sr2 h LEU 813 Ca 0.16 -0.34 0.02 0.00 0.13 0.00 0.00 57.88 57.85 1sr2 h LEU 813 Cb -0.02 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 39.80 1sr2 h LEU 813 CO -0.06 1.12 0.54 0.15 -0.13 0.00 0.00 178.44 180.05 1sr2 h PHE 814 N 0.83 1.01 -0.45 1.25 3.57 -0.12 -2.12 116.94 120.91 1sr2 h PHE 814 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1sr2 h PHE 814 Cb 0.73 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1sr2 h PHE 814 CO 0.05 0.61 0.00 1.33 -2.23 0.00 0.00 178.31 178.06 1sr2 n VAL 815 N -4.55 0.59 0.00 1.41 0.24 -0.01 -3.69 118.33 112.32 1sr2 n VAL 815 Ca 0.09 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1sr2 n VAL 815 Cb 0.05 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1sr2 n VAL 815 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sr2 n ASP 816 N 1.16 0.00 -0.02 -1.34 2.03 -0.70 -4.76 116.55 112.91 1sr2 n ASP 816 Ca 0.19 0.12 -0.13 0.00 0.52 0.00 0.00 54.79 55.48 1sr2 n ASP 816 Cb 0.51 -0.48 -0.14 0.00 -0.72 0.00 0.00 41.12 40.29 1sr2 n ASP 816 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1sr2 n THR 817 N -2.32 1.65 0.32 5.18 5.66 -1.09 -4.39 114.28 119.29 1sr2 n THR 817 Ca 0.00 -0.75 -0.17 0.00 -3.05 0.00 0.00 64.05 60.08 1sr2 n THR 817 Cb 0.00 -1.24 -0.09 0.00 -1.55 0.00 0.00 70.33 67.45 1sr2 n THR 817 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1sr2 h VAL 818 N 0.02 0.37 -0.88 1.08 2.07 -1.69 0.33 116.25 117.55 1sr2 h VAL 818 Ca -0.36 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.22 1sr2 h VAL 818 Cb 2.03 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1sr2 h VAL 818 CO 0.07 0.00 0.58 1.55 0.02 0.00 0.00 177.57 179.79 1sr2 h PRO 819 N -0.81 1.00 -0.01 1.57 0.13 -1.80 0.91 132.00 132.98 1sr2 h PRO 819 Ca -0.07 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 64.81 1sr2 h PRO 819 Cb 0.64 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1sr2 h PRO 819 CO 0.10 0.66 -0.84 0.22 -0.23 0.00 0.00 178.00 177.91 1sr2 h ASP 820 N 1.03 0.27 -0.30 1.44 3.58 -1.70 -1.16 116.42 119.58 1sr2 h ASP 820 Ca 0.37 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 1sr2 h ASP 820 Cb 0.15 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1sr2 h ASP 820 CO -0.13 0.99 -0.19 0.44 -2.88 0.00 0.00 179.24 177.47 1sr2 h ASP 821 N 0.13 0.77 -0.38 2.28 3.32 0.54 0.31 116.42 123.39 1sr2 h ASP 821 Ca -0.04 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1sr2 h ASP 821 Cb 1.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1sr2 h ASP 821 CO 0.13 0.95 0.07 0.58 -1.72 0.00 0.00 179.24 179.26 1sr2 h VAL 822 N 0.67 1.23 -0.99 -1.35 2.07 -0.75 0.29 116.25 117.42 1sr2 h VAL 822 Ca 0.10 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1sr2 h VAL 822 Cb 0.69 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 1sr2 h VAL 822 CO 0.05 0.28 0.64 0.11 0.02 0.00 0.00 177.57 178.67 1sr2 h LYS 823 N 0.46 1.12 -0.10 1.57 1.57 -0.87 -0.39 116.57 119.94 1sr2 h LYS 823 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1sr2 h LYS 823 Cb 0.34 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1sr2 h LYS 823 CO 0.00 0.74 0.00 -0.09 -0.57 0.00 0.00 179.45 179.54 1sr2 h ARG 824 N 1.16 0.17 -0.67 3.15 9.65 0.07 -0.27 114.38 127.63 1sr2 h ARG 824 Ca 0.43 -0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.40 1sr2 h ARG 824 Cb 0.17 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.63 1sr2 h ARG 824 CO -0.17 0.42 0.10 -0.07 2.80 0.00 0.00 179.97 183.05 1sr2 h LEU 825 N -0.10 -0.09 -0.60 3.80 3.38 0.08 0.44 115.31 122.22 1sr2 h LEU 825 Ca 0.03 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1sr2 h LEU 825 Cb 0.34 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1sr2 h LEU 825 CO 0.00 -0.06 0.37 1.88 0.09 0.00 0.00 178.44 180.72 1sr2 h TYR 826 N 0.21 0.79 -0.22 1.13 0.05 -0.87 -0.83 116.97 117.23 1sr2 h TYR 826 Ca 0.37 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.09 1sr2 h TYR 826 Cb 0.60 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1sr2 h TYR 826 CO -0.30 0.53 -0.08 1.15 -1.05 0.00 0.00 178.16 178.41 1sr2 h THR 827 N 0.82 1.30 0.00 -2.88 2.02 0.89 -1.74 112.91 113.31 1sr2 h THR 827 Ca 0.22 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1sr2 h THR 827 Cb -0.03 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1sr2 h THR 827 CO -0.04 0.34 -0.37 -0.33 0.37 0.00 0.00 175.52 175.49 1sr2 h GLU 828 N 0.16 0.00 -0.33 6.66 4.39 -0.17 -2.38 114.58 122.91 1sr2 h GLU 828 Ca 0.05 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1sr2 h GLU 828 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1sr2 h GLU 828 CO 0.03 0.37 -0.34 0.00 -1.16 0.00 0.00 179.01 177.91 1sr2 h ALA 829 N 1.63 0.78 -0.16 3.43 0.00 -0.95 0.43 119.26 124.41 1sr2 h ALA 829 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1sr2 h ALA 829 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sr2 h ALA 829 CO 0.05 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.96 1sr2 h ALA 830 N 0.99 1.71 -0.00 0.00 0.00 -0.79 -1.35 119.26 119.83 1sr2 h ALA 830 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sr2 h ALA 830 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1sr2 h ALA 830 CO 0.08 0.22 -0.54 0.25 0.00 0.00 0.00 179.25 179.26 1sr2 n THR 831 N -4.41 0.00 -2.86 0.00 -2.24 -1.11 -4.94 114.28 98.72 1sr2 n THR 831 Ca -0.01 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 1sr2 n THR 831 Cb 0.16 0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sr2 n SER 832 N -1.33 -5.73 -4.08 3.42 7.64 -0.46 -4.91 113.62 108.17 1sr2 n SER 832 Ca 0.06 -0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.29 1sr2 n SER 832 Cb 0.34 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 1sr2 n SER 832 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sr2 n ASP 833 N -2.07 4.95 0.33 6.43 -0.08 0.02 -4.79 116.55 121.33 1sr2 n ASP 833 Ca -0.12 -3.02 0.21 0.00 -1.51 0.00 0.00 54.79 50.35 1sr2 n ASP 833 Cb 0.62 -1.55 1.13 0.00 2.34 0.00 0.00 41.12 43.66 1sr2 n ASP 833 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1sr2 h PHE 834 N 6.34 0.00 -0.42 -0.67 0.04 -1.91 0.32 116.94 120.63 1sr2 h PHE 834 Ca 0.40 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.07 1sr2 h PHE 834 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1sr2 h PHE 834 CO 1.25 0.00 -0.15 0.00 -0.60 0.00 0.00 178.31 178.81 1sr2 h ALA 835 N 2.00 0.59 0.04 2.45 0.00 -1.96 -0.07 119.26 122.30 1sr2 h ALA 835 Ca -0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 1sr2 h ALA 835 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1sr2 h ALA 835 CO 0.00 0.51 -1.04 0.00 0.00 0.00 0.00 179.25 178.72 1sr2 h ALA 836 N 0.84 0.33 -0.45 0.00 0.00 -1.27 -2.02 119.26 116.68 1sr2 h ALA 836 Ca 0.10 -0.86 0.01 0.00 0.00 0.00 0.00 54.91 54.16 1sr2 h ALA 836 Cb 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1sr2 h ALA 836 CO 0.05 1.10 0.28 -0.07 0.00 0.00 0.00 179.25 180.61 1sr2 h LEU 837 N 0.04 0.47 -0.78 0.00 3.38 -0.43 -0.68 115.31 117.30 1sr2 h LEU 837 Ca -0.05 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1sr2 h LEU 837 Cb 1.76 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 1sr2 h LEU 837 CO 0.15 0.33 0.20 0.00 0.09 0.00 0.00 178.44 179.21 1sr2 h ALA 838 N 1.19 1.00 -0.38 1.53 0.00 -0.92 0.12 119.26 121.80 1sr2 h ALA 838 Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1sr2 h ALA 838 Cb -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1sr2 h ALA 838 CO -0.06 0.66 0.15 1.96 0.00 0.00 0.00 179.25 181.95 1sr2 h GLN 839 N 1.07 0.31 -0.16 0.00 1.08 -0.87 0.24 115.11 116.79 1sr2 h GLN 839 Ca 0.23 -0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 57.23 1sr2 h GLN 839 Cb 0.33 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1sr2 h GLN 839 CO -0.00 0.21 -0.59 1.79 -0.95 0.00 0.00 178.83 179.29 1sr2 h THR 840 N 0.32 1.32 -0.35 -0.54 1.35 -0.90 -1.82 112.91 112.29 1sr2 h THR 840 Ca 0.17 -1.83 0.02 0.00 -0.55 0.00 0.00 66.41 64.22 1sr2 h THR 840 Cb 0.13 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 1sr2 h THR 840 CO -0.16 0.57 0.18 0.00 -0.25 0.00 0.00 175.52 175.87 1sr2 h ALA 841 N 0.54 0.43 -0.64 6.62 0.00 -0.58 0.11 119.26 125.75 1sr2 h ALA 841 Ca -0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1sr2 h ALA 841 Cb 1.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1sr2 h ALA 841 CO 0.12 -0.18 0.39 1.25 0.00 0.00 0.00 179.25 180.83 1sr2 h HIS 842 N 0.38 0.72 -0.84 0.00 6.17 -0.49 -0.97 115.15 120.12 1sr2 h HIS 842 Ca 0.14 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.22 1sr2 h HIS 842 Cb 0.04 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 29.70 1sr2 h HIS 842 CO -0.09 0.40 0.43 0.00 0.71 0.00 0.00 177.93 179.38 1sr2 h ARG 843 N 0.75 1.19 -0.62 5.26 -0.00 -0.71 -1.82 114.38 118.42 1sr2 h ARG 843 Ca 0.26 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.98 59.53 1sr2 h ARG 843 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 29.97 29.77 1sr2 h ARG 843 CO -0.12 0.89 0.17 -0.07 0.00 0.00 0.00 179.97 180.85 1sr2 h LEU 844 N 1.18 0.93 -0.31 3.04 4.07 -0.12 -0.50 115.31 123.59 1sr2 h LEU 844 Ca 0.29 -0.22 0.05 0.00 0.08 0.00 0.00 57.88 58.08 1sr2 h LEU 844 Cb 0.07 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.52 1sr2 h LEU 844 CO -0.04 0.90 0.02 0.11 -1.08 0.00 0.00 178.44 178.36 1sr2 h LYS 845 N 0.91 0.12 -0.40 1.13 1.57 -0.83 0.91 116.57 119.98 1sr2 h LYS 845 Ca 0.20 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1sr2 h LYS 845 Cb 0.32 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1sr2 h LYS 845 CO -0.00 0.08 0.20 0.78 -0.57 0.00 0.00 179.45 179.94 1sr2 h GLY 846 N 0.12 0.61 1.40 3.86 0.00 -0.84 0.26 103.07 108.48 1sr2 h GLY 846 Ca 0.15 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.97 1sr2 h GLY 846 CO -0.23 0.28 -0.79 -0.39 0.00 0.00 0.00 176.54 175.41 1sr2 h VAL 847 N 0.51 1.33 -0.38 4.60 -1.51 -0.97 0.15 116.25 119.99 1sr2 h VAL 847 Ca 0.14 -2.11 -0.11 0.00 -1.23 0.00 0.00 66.70 63.39 1sr2 h VAL 847 Cb 0.10 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 1sr2 h VAL 847 CO -0.02 0.65 -0.18 -0.26 -1.23 0.00 0.00 177.57 176.53 1sr2 h PHE 848 N 0.39 0.91 0.00 5.19 0.04 -0.71 -1.87 116.94 120.88 1sr2 h PHE 848 Ca -0.05 -0.22 -0.05 0.00 2.80 0.00 0.00 57.97 60.45 1sr2 h PHE 848 Cb 1.40 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 1sr2 h PHE 848 CO 0.07 0.97 -0.22 0.00 -0.60 0.00 0.00 178.31 178.53 1sr2 h ALA 849 N 0.80 1.33 -0.41 2.45 0.00 -0.45 0.84 119.26 123.83 1sr2 h ALA 849 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sr2 h ALA 849 Cb 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1sr2 h ALA 849 CO 0.05 0.27 0.18 1.98 0.00 0.00 0.00 179.25 181.73 1sr2 h MET 850 N 0.00 0.60 -0.00 0.00 1.85 -0.03 -2.03 114.93 115.32 1sr2 h MET 850 Ca -0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1sr2 h MET 850 Cb 0.48 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1sr2 h MET 850 CO 0.03 0.55 -0.22 1.28 -0.40 0.00 0.00 176.91 178.15 1sr2 n LEU 851 N -4.66 0.42 -1.54 3.39 4.77 -0.77 -4.93 117.00 113.70 1sr2 n LEU 851 Ca 0.00 0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 1sr2 n LEU 851 Cb 0.13 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1sr2 n LEU 851 CO 0.37 0.09 0.07 0.59 -1.33 0.00 0.00 177.39 177.18 1sr2 n ASN 852 N -1.22 -3.50 -4.16 -1.43 3.02 0.82 -4.89 115.26 103.90 1sr2 n ASN 852 Ca 0.10 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 54.04 1sr2 n ASN 852 Cb 0.32 -2.11 0.00 0.00 -0.61 0.00 0.00 39.78 37.38 1sr2 n ASN 852 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sr2 n LEU 853 N -2.02 5.92 0.04 3.41 4.77 0.26 -4.88 117.00 124.51 1sr2 n LEU 853 Ca -0.00 -4.33 -0.14 0.00 -0.03 0.00 0.00 56.01 51.50 1sr2 n LEU 853 Cb 0.53 -1.62 -0.08 0.00 -2.33 0.00 0.00 43.42 39.92 1sr2 n LEU 853 CO 0.22 0.87 0.55 0.58 -1.33 0.00 0.00 177.39 178.28 1sr2 h VAL 854 N 4.45 0.07 -0.75 4.08 2.07 -1.93 0.91 116.25 125.15 1sr2 h VAL 854 Ca 0.42 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.01 1sr2 h VAL 854 Cb 0.75 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1sr2 h VAL 854 CO 1.54 0.00 0.43 -0.65 0.02 0.00 0.00 177.57 178.91 1sr2 h PRO 855 N -0.61 0.74 -0.23 1.57 0.11 -1.98 0.38 132.00 131.98 1sr2 h PRO 855 Ca 0.04 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1sr2 h PRO 855 Cb 0.69 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1sr2 h PRO 855 CO -0.36 0.49 -0.04 0.78 -0.21 0.00 0.00 178.00 178.67 1sr2 h GLY 856 N 0.76 0.47 1.02 -0.55 0.00 -1.89 -1.67 103.07 101.22 1sr2 h GLY 856 Ca 0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1sr2 h GLY 856 CO -0.20 0.34 0.28 1.70 0.00 0.00 0.00 176.54 178.66 1sr2 h LYS 857 N 0.18 1.06 -0.94 4.80 3.11 -0.31 -1.80 116.57 122.66 1sr2 h LYS 857 Ca 0.06 -0.19 0.05 0.00 -2.81 0.00 0.00 60.65 57.76 1sr2 h LYS 857 Cb 0.48 -0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 31.48 1sr2 h LYS 857 CO 0.02 0.87 0.61 1.96 -2.81 0.00 0.00 179.45 180.10 1sr2 h GLN 858 N 1.01 1.12 -0.76 1.90 1.08 -0.16 0.47 115.11 119.77 1sr2 h GLN 858 Ca 0.24 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1sr2 h GLN 858 Cb 0.21 -0.25 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 1sr2 h GLN 858 CO -0.02 0.74 0.49 -0.07 -0.95 0.00 0.00 178.83 179.03 1sr2 h LEU 859 N 1.15 0.84 -0.95 1.46 3.38 -0.66 -1.24 115.31 119.30 1sr2 h LEU 859 Ca 0.39 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 1sr2 h LEU 859 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1sr2 h LEU 859 CO -0.14 0.60 -0.20 0.00 0.09 0.00 0.00 178.44 178.79 1sr2 h GLU 861 N 0.49 0.12 -0.14 0.00 5.08 -0.54 -0.71 114.58 118.87 1sr2 h GLU 861 Ca 0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1sr2 h GLU 861 Cb 0.61 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1sr2 h GLU 861 CO 0.04 0.39 -0.10 1.15 -1.00 0.00 0.00 179.01 179.49 1sr2 h THR 862 N -0.17 1.16 -0.66 1.13 2.02 -1.07 -1.69 112.91 113.63 1sr2 h THR 862 Ca 0.02 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1sr2 h THR 862 Cb 0.34 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1sr2 h THR 862 CO 0.00 0.21 0.30 -0.07 0.37 0.00 0.00 175.52 176.33 1sr2 h LEU 863 N 0.21 0.87 -0.59 2.58 3.38 -0.21 0.27 115.31 121.83 1sr2 h LEU 863 Ca 0.05 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sr2 h LEU 863 Cb 0.32 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1sr2 h LEU 863 CO 0.02 0.78 0.34 -0.33 0.09 0.00 0.00 178.44 179.34 1sr2 h GLU 864 N 0.91 0.64 -0.26 1.13 5.08 -0.23 0.46 114.58 122.31 1sr2 h GLU 864 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1sr2 h GLU 864 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1sr2 h GLU 864 CO -0.02 0.42 0.12 1.25 -1.00 0.00 0.00 179.01 179.78 1sr2 h HIS 865 N 0.66 0.37 -0.18 4.33 2.76 -1.00 -0.26 115.15 121.84 1sr2 h HIS 865 Ca 0.25 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1sr2 h HIS 865 Cb 0.09 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1sr2 h HIS 865 CO -0.07 0.36 0.03 -0.07 -1.30 0.00 0.00 177.93 176.87 1sr2 h LEU 866 N 0.28 0.22 -0.15 0.26 3.38 0.35 0.25 115.31 119.91 1sr2 h LEU 866 Ca 0.09 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1sr2 h LEU 866 Cb 0.12 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1sr2 h LEU 866 CO -0.01 0.25 -0.60 0.40 0.09 0.00 0.00 178.44 178.56 1sr2 h ILE 867 N 0.25 1.32 -0.06 1.22 2.04 0.20 0.28 117.51 122.76 1sr2 h ILE 867 Ca 0.06 -1.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.01 1sr2 h ILE 867 Cb 0.13 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1sr2 h ILE 867 CO -0.00 0.58 -0.24 0.08 0.00 0.00 0.00 178.15 178.56 1sr2 h ARG 868 N 0.36 0.10 0.00 2.37 -0.00 -0.21 -1.83 114.38 115.18 1sr2 h ARG 868 Ca -0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.92 1sr2 h ARG 868 Cb 1.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1sr2 h ARG 868 CO 0.13 0.34 -0.41 1.49 -0.00 0.00 0.00 179.97 181.52 1sr2 h GLU 869 N 0.09 0.00 -4.81 0.08 4.81 -0.41 -3.48 114.58 110.86 1sr2 h GLU 869 Ca 0.02 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.93 1sr2 h GLU 869 Cb 0.48 0.00 0.11 0.00 0.63 0.00 0.00 28.75 29.97 1sr2 h GLU 869 CO 0.03 0.00 -0.54 1.17 -0.73 0.00 0.00 179.01 178.95 1sr2 n LYS 870 N -2.93 -6.23 -2.54 1.92 4.81 0.56 -4.93 118.16 108.82 1sr2 n LYS 870 Ca 0.02 0.65 -0.43 0.00 -0.87 0.00 0.00 58.31 57.69 1sr2 n LYS 870 Cb 0.54 -5.16 0.00 0.00 0.02 0.00 0.00 35.03 30.43 1sr2 n LYS 870 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1sr2 n ASP 871 N -2.09 4.88 -0.07 3.14 -0.08 0.66 -4.87 116.55 118.12 1sr2 n ASP 871 Ca -0.01 -2.94 -0.09 0.00 -1.51 0.00 0.00 54.79 50.24 1sr2 n ASP 871 Cb 0.55 -1.67 -0.03 0.00 2.34 0.00 0.00 41.12 42.31 1sr2 n ASP 871 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1sr2 h VAL 872 N 4.95 0.21 -0.74 5.18 2.07 -1.92 0.13 116.25 126.13 1sr2 h VAL 872 Ca 0.43 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.05 1sr2 h VAL 872 Cb 0.82 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1sr2 h VAL 872 CO 1.48 0.00 0.38 -0.65 0.02 0.00 0.00 177.57 178.80 1sr2 h PRO 873 N -0.34 0.62 -0.53 1.57 0.11 -1.99 -1.50 132.00 129.94 1sr2 h PRO 873 Ca 0.13 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1sr2 h PRO 873 Cb 0.56 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1sr2 h PRO 873 CO -0.47 0.41 -0.08 0.78 -0.21 0.00 0.00 178.00 178.42 1sr2 h GLY 874 N 0.63 1.06 0.78 -0.55 0.00 -1.73 -1.81 103.07 101.45 1sr2 h GLY 874 Ca 0.37 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1sr2 h GLY 874 CO -0.27 0.75 -0.43 -2.22 0.00 0.00 0.00 176.54 174.37 1sr2 h ILE 875 N 0.88 0.13 -0.48 2.60 2.04 0.21 0.22 117.51 123.11 1sr2 h ILE 875 Ca 0.14 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 1sr2 h ILE 875 Cb 0.62 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1sr2 h ILE 875 CO 0.04 0.00 0.01 1.05 0.00 0.00 0.00 178.15 179.25 1sr2 h GLU 876 N -1.03 0.79 -0.64 2.37 4.11 -1.38 -1.34 114.58 117.46 1sr2 h GLU 876 Ca -0.08 -0.21 -0.05 0.00 0.07 0.00 0.00 59.36 59.09 1sr2 h GLU 876 Cb 0.84 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1sr2 h GLU 876 CO 0.06 0.79 0.19 0.87 0.07 0.00 0.00 179.01 180.99 1sr2 h LYS 877 N 0.74 0.97 -0.35 1.06 1.57 -1.21 0.13 116.57 119.49 1sr2 h LYS 877 Ca 0.15 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1sr2 h LYS 877 Cb 0.43 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1sr2 h LYS 877 CO 0.02 0.84 -0.38 1.88 -0.57 0.00 0.00 179.45 181.24 1sr2 h TYR 878 N 0.94 1.05 -0.06 -1.35 -1.99 -0.30 -0.95 116.97 114.31 1sr2 h TYR 878 Ca 0.21 -0.32 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 1sr2 h TYR 878 Cb 0.28 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1sr2 h TYR 878 CO 0.02 1.14 -0.20 0.82 -0.00 0.00 0.00 178.16 179.94 1sr2 h ILE 879 N 0.67 1.17 -0.40 -2.88 2.04 -1.00 0.45 117.51 117.57 1sr2 h ILE 879 Ca 0.05 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1sr2 h ILE 879 Cb 0.97 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1sr2 h ILE 879 CO 0.09 0.24 -0.21 0.28 0.00 0.00 0.00 178.15 178.55 1sr2 h SER 880 N 0.09 0.79 0.43 1.72 0.02 -0.55 -0.14 113.55 115.91 1sr2 h SER 880 Ca 0.02 -0.28 -0.15 0.00 -0.84 0.00 0.00 61.79 60.53 1sr2 h SER 880 Cb 0.40 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1sr2 h SER 880 CO 0.03 0.98 -0.65 -0.78 -1.14 0.00 0.00 176.83 175.27 1sr2 h ASP 881 N 0.68 0.24 0.18 3.07 3.58 -0.24 -0.46 116.42 123.47 1sr2 h ASP 881 Ca 0.10 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.26 1sr2 h ASP 881 Cb 0.72 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1sr2 h ASP 881 CO 0.06 0.83 -0.51 0.40 -2.88 0.00 0.00 179.24 177.14 1sr2 h ILE 882 N 0.15 1.34 -0.23 2.25 2.04 -0.80 -0.59 117.51 121.65 1sr2 h ILE 882 Ca -0.01 -1.75 -0.18 0.00 1.00 0.00 0.00 64.86 63.92 1sr2 h ILE 882 Cb 1.18 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1sr2 h ILE 882 CO 0.10 0.53 -0.57 -0.78 0.00 0.00 0.00 178.15 177.43 1sr2 h ASP 883 N 0.29 0.82 0.69 1.72 3.58 -0.66 -0.32 116.42 122.53 1sr2 h ASP 883 Ca 0.01 -0.45 -0.14 0.00 0.42 0.00 0.00 57.03 56.87 1sr2 h ASP 883 Cb 0.99 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1sr2 h ASP 883 CO 0.09 1.21 -0.68 0.77 -2.88 0.00 0.00 179.24 177.74 1sr2 h SER 884 N 0.56 0.00 0.70 2.28 4.64 -1.06 0.84 113.55 121.50 1sr2 h SER 884 Ca 0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1sr2 h SER 884 Cb 1.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1sr2 h SER 884 CO 0.12 0.68 -0.34 0.22 -0.87 0.00 0.00 176.83 176.65 1sr2 h TYR 885 N 0.00 -0.87 -0.70 4.77 3.20 -0.71 -1.00 116.97 121.66 1sr2 h TYR 885 Ca -0.01 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1sr2 h TYR 885 Cb 1.21 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.73 1sr2 h TYR 885 CO 0.00 -0.52 0.46 0.28 -1.64 0.00 0.00 178.16 176.74 1sr2 h VAL 886 N -1.01 1.09 -0.66 1.81 2.07 -1.04 -0.91 116.25 117.59 1sr2 h VAL 886 Ca -0.10 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1sr2 h VAL 886 Cb 0.74 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1sr2 h VAL 886 CO 0.16 0.15 0.39 0.50 0.02 0.00 0.00 177.57 178.79 1sr2 h LYS 887 N 0.83 0.73 0.00 1.57 3.64 -0.53 -0.38 116.57 122.43 1sr2 h LYS 887 Ca 0.28 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1sr2 h LYS 887 Cb 0.09 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1sr2 h LYS 887 CO -0.08 0.48 -0.20 0.66 -2.27 0.00 0.00 179.45 178.04 1sr2 h SER 888 N 0.75 0.00 1.00 4.20 4.64 -0.27 -3.11 113.55 120.76 1sr2 h SER 888 Ca 0.28 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1sr2 h SER 888 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1sr2 h SER 888 CO -0.14 0.01 -0.52 -0.07 -0.87 0.00 0.00 176.83 175.24 1sr2 h LEU 889 N 0.00 0.00 0.00 5.97 3.38 -0.63 -3.49 115.31 120.54 1sr2 h LEU 889 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1sr2 h LEU 889 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1sr2 h LEU 889 CO 0.00 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.79