#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 n GLN 776 N 0.00 0.00 -0.05 2.12 10.64 -1.26 -4.89 117.38 123.95 1sr2 n GLN 776 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 1sr2 n GLN 776 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 1sr2 n GLN 776 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1sr2 h GLU 777 N 0.00 0.59 -2.95 2.61 -0.00 -2.07 -3.22 114.58 109.53 1sr2 h GLU 777 Ca 0.00 -0.43 -0.68 0.00 -0.00 0.00 0.00 59.36 58.25 1sr2 h GLU 777 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 1sr2 h GLU 777 CO 0.00 1.05 3.62 0.00 -0.00 0.00 0.00 179.01 183.67 1sr2 n ALA 778 N -2.54 7.43 0.40 1.06 0.00 -1.26 -4.42 120.51 121.19 1sr2 n ALA 778 Ca -0.07 -3.63 0.13 0.00 0.00 0.00 0.00 53.44 49.88 1sr2 n ALA 778 Cb 0.57 -3.28 0.41 0.00 0.00 0.00 0.00 19.45 17.15 1sr2 n ALA 778 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1sr2 h VAL 779 N 2.95 0.00 -4.36 0.00 3.04 -1.90 -3.45 116.25 112.53 1sr2 h VAL 779 Ca 0.85 -0.58 -0.47 0.00 -1.01 0.00 0.00 66.70 65.48 1sr2 h VAL 779 Cb 0.29 1.53 0.09 0.00 -2.01 0.00 0.00 31.29 31.19 1sr2 h VAL 779 CO 1.74 0.00 0.36 -1.48 -1.01 0.00 0.00 177.57 177.18 1sr2 s LEU 780 N -5.29 2.69 0.00 3.16 2.34 -1.26 -5.07 118.68 115.24 1sr2 s LEU 780 Ca 0.07 0.78 0.00 0.00 0.06 0.00 0.00 54.13 55.04 1sr2 s LEU 780 Cb 0.09 -3.38 0.00 0.00 -0.56 0.00 0.00 46.19 42.34 1sr2 s LEU 780 CO 0.57 -1.68 0.00 0.00 -1.06 0.00 0.00 176.35 174.17 1sr2 n GLN 781 N -3.13 0.00 0.14 1.48 6.02 -1.26 -5.06 117.38 115.56 1sr2 n GLN 781 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1sr2 n GLN 781 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 1sr2 n GLN 781 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1sr2 n LEU 782 N 0.00 -1.28 0.00 1.08 -0.00 -1.26 -5.10 117.00 110.45 1sr2 n LEU 782 Ca 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 56.01 56.53 1sr2 n LEU 782 Cb 0.00 1.35 0.00 0.00 -0.00 0.00 0.00 43.42 44.77 1sr2 n LEU 782 CO 0.00 -0.43 0.00 -0.38 -0.00 0.00 0.00 177.39 176.58 1sr2 n ILE 783 N -3.28 0.00 0.11 1.47 2.08 -1.26 -5.12 119.36 113.35 1sr2 n ILE 783 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1sr2 n ILE 783 Cb 0.00 -0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1sr2 n ILE 783 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1sr2 n GLU 784 N -0.02 0.00 -2.69 0.38 1.02 -1.26 -5.00 120.64 113.08 1sr2 n GLU 784 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1sr2 n GLU 784 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1sr2 n VAL 785 N -2.90 2.01 0.00 2.62 0.24 -1.26 -5.02 118.33 114.02 1sr2 n VAL 785 Ca 0.00 -4.67 0.00 0.00 -2.04 0.00 0.00 64.34 57.63 1sr2 n VAL 785 Cb 0.00 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1sr2 n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sr2 n GLN 786 N -0.27 0.00 -3.24 7.34 1.13 -1.26 -2.82 117.38 118.26 1sr2 n GLN 786 Ca 0.30 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 55.17 1sr2 n GLN 786 Cb 0.63 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.91 1sr2 n GLN 786 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1sr2 s LEU 787 N 0.00 0.33 0.00 1.08 2.96 -1.26 -4.80 118.68 116.99 1sr2 s LEU 787 Ca 0.00 -2.32 0.00 0.00 -0.22 0.00 0.00 54.13 51.59 1sr2 s LEU 787 Cb 0.00 0.37 0.00 0.00 0.50 0.00 0.00 46.19 47.06 1sr2 s LEU 787 CO 0.00 -0.17 0.00 0.00 -1.32 0.00 0.00 176.35 174.86 1sr2 n ALA 788 N 3.30 -0.38 -0.55 5.97 0.00 -1.13 -5.00 120.51 122.73 1sr2 n ALA 788 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sr2 n ALA 788 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1sr2 n ALA 788 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sr2 n GLN 789 N 0.50 0.29 -3.29 0.00 7.27 -1.26 -4.92 117.38 115.98 1sr2 n GLN 789 Ca 0.00 -0.53 -0.38 0.00 0.07 0.00 0.00 57.00 56.17 1sr2 n GLN 789 Cb 0.00 -0.73 -0.06 0.00 2.41 0.00 0.00 30.24 31.86 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1sr2 s GLU 790 N -0.19 4.14 -0.32 3.69 8.01 -1.26 -5.05 118.70 127.73 1sr2 s GLU 790 Ca 0.00 0.68 -0.00 0.00 0.01 0.00 0.00 54.97 55.65 1sr2 s GLU 790 Cb 0.00 -3.13 0.13 0.00 -4.31 0.00 0.00 34.13 26.82 1sr2 s GLU 790 CO 0.00 0.58 0.26 -2.00 0.01 0.00 0.00 175.26 174.11 1sr2 s GLU 791 N -1.39 0.39 0.03 1.61 2.12 -1.26 -5.04 118.70 115.15 1sr2 s GLU 791 Ca 0.32 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1sr2 s GLU 791 Cb -0.18 -0.88 0.00 0.00 0.26 0.00 0.00 34.13 33.33 1sr2 s GLU 791 CO 0.19 -1.09 0.00 0.28 -0.54 0.00 0.00 175.26 174.10 1sr2 n VAL 792 N 4.89 -3.69 -1.91 3.70 0.31 -1.26 -5.00 118.33 115.37 1sr2 n VAL 792 Ca 0.02 0.50 0.04 0.00 -0.01 0.00 0.00 64.34 64.89 1sr2 n VAL 792 Cb 0.44 -2.61 0.07 0.00 -0.91 0.00 0.00 33.84 30.84 1sr2 n VAL 792 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1sr2 n THR 793 N 0.28 0.80 -3.71 2.52 -1.04 -1.26 -5.04 114.28 106.82 1sr2 n THR 793 Ca 0.00 -1.40 -0.13 0.00 -2.04 0.00 0.00 64.05 60.48 1sr2 n THR 793 Cb 0.00 0.38 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 1sr2 n THR 793 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1sr2 s GLU 794 N -1.19 0.55 -0.05 -2.82 2.12 -1.26 -5.17 118.70 110.88 1sr2 s GLU 794 Ca 0.25 0.67 0.02 0.00 0.36 0.00 0.00 54.97 56.26 1sr2 s GLU 794 Cb 0.25 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.91 1sr2 s GLU 794 CO -0.06 -0.07 -0.10 -1.12 -0.54 0.00 0.00 175.26 173.37 1sr2 s SER 795 N 0.31 1.44 -0.91 -1.70 0.01 -1.26 -5.08 113.70 106.51 1sr2 s SER 795 Ca -0.00 -0.23 -0.24 0.00 1.31 0.00 0.00 55.95 56.78 1sr2 s SER 795 Cb -0.03 -0.59 -0.00 0.00 0.21 0.00 0.00 66.02 65.61 1sr2 s SER 795 CO -0.00 0.03 1.69 -2.84 0.41 0.00 0.00 173.24 172.53 1sr2 s PRO 796 N 0.55 3.02 0.32 12.44 0.02 -1.26 -4.98 135.00 145.11 1sr2 s PRO 796 Ca -0.10 -0.54 -0.14 0.00 0.02 0.00 0.00 61.00 60.23 1sr2 s PRO 796 Cb -0.13 -5.06 -0.09 0.00 0.02 0.00 0.00 34.50 29.24 1sr2 s PRO 796 CO 0.02 -2.77 0.72 -0.48 -0.33 0.00 0.00 177.00 174.17 1sr2 s LEU 797 N 7.64 4.06 0.00 -5.54 0.05 -1.26 -5.02 118.68 118.61 1sr2 s LEU 797 Ca 0.58 1.25 0.00 0.00 0.05 0.00 0.00 54.13 56.01 1sr2 s LEU 797 Cb -0.05 -4.06 0.00 0.00 -2.05 0.00 0.00 46.19 40.04 1sr2 s LEU 797 CO -0.01 -0.20 0.00 0.61 -0.55 0.00 0.00 176.35 176.19 1sr2 n GLY 798 N -0.37 0.27 1.34 -3.48 0.00 -1.26 -4.93 105.19 96.76 1sr2 n GLY 798 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 4.04 4.76 2.58 -0.02 0.00 -1.26 -4.85 105.19 110.45 1sr2 n GLY 799 Ca 0.00 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 1sr2 n GLY 799 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sr2 n ASP 800 N -0.75 2.81 -0.25 1.61 5.68 -1.26 -4.88 116.55 119.51 1sr2 n ASP 800 Ca 0.24 -3.35 -0.07 0.00 -0.50 0.00 0.00 54.79 51.11 1sr2 n ASP 800 Cb 0.84 -0.58 0.05 0.00 -1.14 0.00 0.00 41.12 40.29 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1sr2 h GLU 801 N 2.96 1.04 -1.00 0.11 3.07 -1.88 -1.99 114.58 116.89 1sr2 h GLU 801 Ca 0.12 -0.19 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1sr2 h GLU 801 Cb 0.76 -0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 1sr2 h GLU 801 CO 0.67 0.87 0.66 -0.97 -1.40 0.00 0.00 179.01 178.84 1sr2 h ASN 802 N 0.99 1.14 -0.51 1.42 -1.24 -1.90 -0.50 115.58 114.97 1sr2 h ASN 802 Ca 0.23 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1sr2 h ASN 802 Cb 0.22 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1sr2 h ASN 802 CO -0.02 0.81 0.28 0.00 -1.29 0.00 0.00 177.43 177.21 1sr2 h ALA 803 N 1.39 0.66 0.05 1.57 0.00 -1.81 -0.55 119.26 120.56 1sr2 h ALA 803 Ca 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1sr2 h ALA 803 Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1sr2 h ALA 803 CO -0.09 0.19 -0.03 0.37 0.00 0.00 0.00 179.25 179.69 1sr2 h GLN 804 N 0.69 -0.07 -0.50 0.00 -0.00 -0.70 0.30 115.11 114.84 1sr2 h GLN 804 Ca 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.76 1sr2 h GLN 804 Cb 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 1sr2 h GLN 804 CO -0.03 0.06 0.02 1.37 0.00 0.00 0.00 178.83 180.25 1sr2 h LEU 805 N -0.19 0.78 0.00 -2.39 8.10 -0.98 -1.56 115.31 119.08 1sr2 h LEU 805 Ca -0.01 -0.18 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1sr2 h LEU 805 Cb 0.16 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1sr2 h LEU 805 CO 0.01 0.84 -0.21 1.12 -4.11 0.00 0.00 178.44 176.09 1sr2 h HIS 806 N 0.77 0.00 0.08 0.17 2.07 -1.02 -1.69 115.15 115.52 1sr2 h HIS 806 Ca 0.15 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.42 1sr2 h HIS 806 Cb 0.44 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.42 1sr2 h HIS 806 CO 0.02 0.00 -1.13 0.00 -3.07 0.00 0.00 177.93 173.76 1sr2 h ALA 807 N 2.34 0.21 0.00 6.11 0.00 -0.30 -3.19 119.26 124.43 1sr2 h ALA 807 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1sr2 h ALA 807 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sr2 h ALA 807 CO 0.00 0.96 0.00 0.66 0.00 0.00 0.00 179.25 180.87 1sr2 h SER 808 N 0.10 0.00 -0.25 0.00 4.64 -1.31 -3.47 113.55 113.27 1sr2 h SER 808 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1sr2 h SER 808 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1sr2 h SER 808 CO 0.18 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1sr2 n GLY 809 N 0.84 0.97 1.06 -0.77 0.00 -1.17 -4.97 105.19 101.15 1sr2 n GLY 809 Ca 0.04 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.39 0.96 0.10 1.61 4.01 -0.64 -4.50 117.16 116.31 1sr2 n TYR 810 Ca 0.00 -0.64 -0.02 0.00 -0.16 0.00 0.00 57.90 57.08 1sr2 n TYR 810 Cb 0.32 -0.18 0.22 0.00 -0.31 0.00 0.00 39.34 39.39 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 2.75 0.25 -0.87 -0.72 3.20 -1.86 -1.99 116.97 117.74 1sr2 h TYR 811 Ca 0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1sr2 h TYR 811 Cb 1.18 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1sr2 h TYR 811 CO 0.50 0.62 0.56 0.00 -1.64 0.00 0.00 178.16 178.19 1sr2 h ALA 812 N 1.38 1.10 -0.52 1.82 0.00 -1.94 -2.16 119.26 118.95 1sr2 h ALA 812 Ca 0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1sr2 h ALA 812 Cb 0.84 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1sr2 h ALA 812 CO 0.07 0.53 -0.14 1.25 0.00 0.00 0.00 179.25 180.95 1sr2 h LEU 813 N 1.18 1.01 -1.20 0.00 6.46 -1.77 -2.12 115.31 118.86 1sr2 h LEU 813 Ca 0.32 -0.35 0.08 0.00 -0.12 0.00 0.00 57.88 57.81 1sr2 h LEU 813 Cb -0.10 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.49 1sr2 h LEU 813 CO -0.07 1.14 0.57 0.15 -0.62 0.00 0.00 178.44 179.61 1sr2 h PHE 814 N 0.88 0.96 -0.16 1.25 3.57 -0.74 -0.63 116.94 122.06 1sr2 h PHE 814 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1sr2 h PHE 814 Cb 0.71 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1sr2 h PHE 814 CO 0.05 0.47 0.00 1.33 -2.23 0.00 0.00 178.31 177.92 1sr2 n VAL 815 N -4.51 0.19 -0.01 1.41 0.24 -0.96 -4.03 118.33 110.65 1sr2 n VAL 815 Ca 0.14 -0.58 -0.01 0.00 -2.04 0.00 0.00 64.34 61.85 1sr2 n VAL 815 Cb 0.27 1.25 -0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 1.34 0.29 -0.02 -1.34 2.03 -0.31 -4.77 116.55 113.77 1sr2 n ASP 816 Ca 0.16 0.13 0.02 0.00 0.52 0.00 0.00 54.79 55.62 1sr2 n ASP 816 Cb 0.59 -0.54 -0.14 0.00 -0.72 0.00 0.00 41.12 40.31 1sr2 n ASP 816 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1sr2 n THR 817 N -2.74 0.75 0.18 5.18 -1.04 -0.78 -4.46 114.28 111.36 1sr2 n THR 817 Ca -0.02 -0.66 -0.14 0.00 -2.04 0.00 0.00 64.05 61.19 1sr2 n THR 817 Cb 0.07 -0.33 -0.08 0.00 -1.82 0.00 0.00 70.33 68.17 1sr2 n THR 817 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1sr2 h VAL 818 N 0.00 0.69 -0.68 12.58 2.07 -1.70 -0.91 116.25 128.30 1sr2 h VAL 818 Ca -0.22 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 66.97 1sr2 h VAL 818 Cb 1.53 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1sr2 h VAL 818 CO 0.02 0.08 0.33 -0.65 0.02 0.00 0.00 177.57 177.37 1sr2 h PRO 819 N -0.68 0.55 0.00 1.57 0.11 -1.80 0.23 132.00 131.99 1sr2 h PRO 819 Ca -0.05 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1sr2 h PRO 819 Cb 0.48 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1sr2 h PRO 819 CO 0.07 0.37 -0.44 0.22 -0.21 0.00 0.00 178.00 178.01 1sr2 h ASP 820 N 0.57 0.00 0.59 -2.05 3.58 -1.77 -1.77 116.42 115.57 1sr2 h ASP 820 Ca 0.34 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.60 1sr2 h ASP 820 Cb 0.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1sr2 h ASP 820 CO -0.27 0.44 -0.84 0.44 -2.88 0.00 0.00 179.24 176.14 1sr2 h ASP 821 N 0.00 0.22 -0.66 2.28 3.32 0.01 0.23 116.42 121.82 1sr2 h ASP 821 Ca -0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1sr2 h ASP 821 Cb 0.98 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 1sr2 h ASP 821 CO 0.06 0.96 0.23 0.58 -1.72 0.00 0.00 179.24 179.35 1sr2 h VAL 822 N 0.10 1.25 -0.69 -1.35 2.07 -0.79 -0.57 116.25 116.27 1sr2 h VAL 822 Ca -0.04 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1sr2 h VAL 822 Cb 1.46 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1sr2 h VAL 822 CO 0.13 0.32 0.37 0.50 0.02 0.00 0.00 177.57 178.91 1sr2 h LYS 823 N 0.95 0.95 -0.49 1.57 3.64 -0.99 -1.70 116.57 120.50 1sr2 h LYS 823 Ca 0.22 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1sr2 h LYS 823 Cb 0.27 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1sr2 h LYS 823 CO -0.01 0.71 0.32 -0.09 -2.27 0.00 0.00 179.45 178.10 1sr2 h ARG 824 N 0.96 0.63 -0.72 1.90 2.43 0.10 0.39 114.38 120.08 1sr2 h ARG 824 Ca 0.24 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1sr2 h ARG 824 Cb 0.04 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 1sr2 h ARG 824 CO -0.04 0.42 0.39 -0.07 -1.51 0.00 0.00 179.97 179.15 1sr2 h LEU 825 N 0.65 0.55 -0.92 3.80 3.38 -0.46 0.14 115.31 122.44 1sr2 h LEU 825 Ca 0.18 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1sr2 h LEU 825 Cb -0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1sr2 h LEU 825 CO -0.05 0.33 0.60 1.88 0.09 0.00 0.00 178.44 181.29 1sr2 h TYR 826 N 0.68 1.13 -0.21 1.13 0.05 -0.62 -1.12 116.97 118.01 1sr2 h TYR 826 Ca 0.34 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.10 1sr2 h TYR 826 Cb 0.28 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1sr2 h TYR 826 CO -0.09 0.67 -0.05 1.15 -1.05 0.00 0.00 178.16 178.79 1sr2 h THR 827 N 1.19 1.29 -0.00 -2.88 2.02 0.11 -1.47 112.91 113.15 1sr2 h THR 827 Ca 0.36 -1.03 -0.12 0.00 0.77 0.00 0.00 66.41 66.38 1sr2 h THR 827 Cb -0.04 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1sr2 h THR 827 CO -0.11 0.31 -0.58 -0.33 0.37 0.00 0.00 175.52 175.19 1sr2 h GLU 828 N 0.12 0.00 -0.45 6.66 4.39 -0.73 -2.41 114.58 122.16 1sr2 h GLU 828 Ca 0.05 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1sr2 h GLU 828 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1sr2 h GLU 828 CO 0.02 0.58 -0.17 0.00 -1.16 0.00 0.00 179.01 178.28 1sr2 h ALA 829 N 1.42 0.84 -0.69 3.43 0.00 -1.10 0.14 119.26 123.30 1sr2 h ALA 829 Ca -0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1sr2 h ALA 829 Cb 1.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1sr2 h ALA 829 CO 0.08 0.64 0.18 0.00 0.00 0.00 0.00 179.25 180.15 1sr2 h ALA 830 N 1.03 1.01 -0.00 0.00 0.00 -0.85 -2.04 119.26 118.40 1sr2 h ALA 830 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sr2 h ALA 830 Cb 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sr2 h ALA 830 CO 0.05 0.65 -0.18 0.25 0.00 0.00 0.00 179.25 180.02 1sr2 n THR 831 N -4.24 0.00 -2.36 0.00 -2.24 -0.95 -4.92 114.28 99.58 1sr2 n THR 831 Ca 0.05 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 1sr2 n THR 831 Cb 0.25 -0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.27 -4.30 -4.36 3.42 7.64 -0.31 -4.93 113.62 109.51 1sr2 n SER 832 Ca 0.10 -0.05 -0.44 0.00 1.01 0.00 0.00 58.87 59.49 1sr2 n SER 832 Cb 0.31 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 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 -0.71 5.13 0.25 6.43 -0.08 0.35 -4.79 116.55 123.13 1sr2 n ASP 833 Ca -0.15 -2.99 0.17 0.00 -1.51 0.00 0.00 54.79 50.32 1sr2 n ASP 833 Cb 0.62 -1.58 0.80 0.00 2.34 0.00 0.00 41.12 43.29 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 6.93 0.00 -0.23 -0.67 0.04 -1.92 0.36 116.94 121.45 1sr2 h PHE 834 Ca 0.36 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.96 1sr2 h PHE 834 Cb 0.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.98 1sr2 h PHE 834 CO 1.18 0.00 -0.50 0.00 -0.60 0.00 0.00 178.31 178.39 1sr2 h ALA 835 N 2.05 0.37 0.04 2.45 0.00 -1.96 -1.59 119.26 120.62 1sr2 h ALA 835 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 1sr2 h ALA 835 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sr2 h ALA 835 CO 0.00 0.55 -1.02 0.00 0.00 0.00 0.00 179.25 178.78 1sr2 h ALA 836 N 0.62 0.31 -0.31 0.00 0.00 -1.60 -1.89 119.26 116.39 1sr2 h ALA 836 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 54.91 54.20 1sr2 h ALA 836 Cb 1.11 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1sr2 h ALA 836 CO 0.11 0.88 0.03 -0.07 0.00 0.00 0.00 179.25 180.20 1sr2 h LEU 837 N 0.16 -0.06 -0.71 0.00 3.38 -0.37 0.25 115.31 117.96 1sr2 h LEU 837 Ca -0.09 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1sr2 h LEU 837 Cb 1.68 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 1sr2 h LEU 837 CO 0.17 0.00 0.25 0.00 0.09 0.00 0.00 178.44 178.96 1sr2 h ALA 838 N 1.25 0.92 -0.52 1.53 0.00 -1.20 0.01 119.26 121.25 1sr2 h ALA 838 Ca 0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1sr2 h ALA 838 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sr2 h ALA 838 CO -0.23 0.57 0.03 1.96 0.00 0.00 0.00 179.25 181.59 1sr2 h GLN 839 N 1.03 0.85 -0.30 0.00 1.08 -0.80 0.36 115.11 117.33 1sr2 h GLN 839 Ca 0.23 -0.22 -0.17 0.00 -1.45 0.00 0.00 58.65 57.04 1sr2 h GLN 839 Cb 0.25 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1sr2 h GLN 839 CO -0.01 0.83 -0.49 1.15 -0.95 0.00 0.00 178.83 179.36 1sr2 h THR 840 N 0.80 1.28 -0.18 -0.54 2.02 -0.20 -1.82 112.91 114.27 1sr2 h THR 840 Ca 0.16 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1sr2 h THR 840 Cb 0.44 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1sr2 h THR 840 CO 0.02 0.55 -0.21 0.00 0.37 0.00 0.00 175.52 176.24 1sr2 h ALA 841 N 0.69 1.32 -0.11 6.16 0.00 -0.75 -1.20 119.26 125.36 1sr2 h ALA 841 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1sr2 h ALA 841 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1sr2 h ALA 841 CO 0.11 0.46 0.03 0.45 0.00 0.00 0.00 179.25 180.30 1sr2 h HIS 842 N 0.28 0.06 -0.30 0.00 -0.00 -0.03 0.26 115.15 115.41 1sr2 h HIS 842 Ca 0.05 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.31 1sr2 h HIS 842 Cb 0.53 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.92 1sr2 h HIS 842 CO 0.01 0.03 -0.30 0.07 -0.00 0.00 0.00 177.93 177.74 1sr2 h ARG 843 N 0.08 0.63 -0.43 2.45 0.11 -1.07 -1.53 114.38 114.62 1sr2 h ARG 843 Ca 0.05 -0.27 -0.15 0.00 0.10 0.00 0.00 59.98 59.71 1sr2 h ARG 843 Cb 0.03 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1sr2 h ARG 843 CO -0.05 0.85 -0.31 -0.07 0.10 0.00 0.00 179.97 180.49 1sr2 h LEU 844 N 0.54 1.01 -0.61 0.08 4.07 -0.98 0.38 115.31 119.80 1sr2 h LEU 844 Ca 0.07 -0.43 0.03 0.00 0.08 0.00 0.00 57.88 57.63 1sr2 h LEU 844 Cb 0.78 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 1sr2 h LEU 844 CO 0.06 1.23 0.36 0.50 -1.08 0.00 0.00 178.44 179.51 1sr2 h LYS 845 N 0.81 0.68 -0.26 1.13 3.64 -0.34 -0.73 116.57 121.50 1sr2 h LYS 845 Ca 0.08 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1sr2 h LYS 845 Cb 0.90 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1sr2 h LYS 845 CO 0.08 0.45 -0.08 0.78 -2.27 0.00 0.00 179.45 178.41 1sr2 h GLY 846 N 0.70 0.55 1.60 5.01 0.00 -0.90 -1.49 103.07 108.54 1sr2 h GLY 846 Ca 0.25 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1sr2 h GLY 846 CO -0.12 0.43 -0.40 -0.39 0.00 0.00 0.00 176.54 176.07 1sr2 h VAL 847 N 0.25 1.30 -0.27 4.60 -1.51 -0.80 -0.10 116.25 119.73 1sr2 h VAL 847 Ca 0.06 -1.54 -0.18 0.00 -1.23 0.00 0.00 66.70 63.81 1sr2 h VAL 847 Cb 0.57 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1sr2 h VAL 847 CO 0.03 0.48 -0.55 -0.26 -1.23 0.00 0.00 177.57 176.04 1sr2 h PHE 848 N 0.37 1.06 -0.80 5.19 0.04 -1.11 0.11 116.94 121.81 1sr2 h PHE 848 Ca 0.03 -0.39 -0.00 0.00 2.80 0.00 0.00 57.97 60.42 1sr2 h PHE 848 Cb 0.86 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.78 1sr2 h PHE 848 CO 0.03 1.21 0.50 0.00 -0.60 0.00 0.00 178.31 179.45 1sr2 h ALA 849 N 0.66 1.37 -0.39 2.45 0.00 -1.10 0.42 119.26 122.66 1sr2 h ALA 849 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1sr2 h ALA 849 Cb 1.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1sr2 h ALA 849 CO 0.12 0.56 0.06 1.98 0.00 0.00 0.00 179.25 181.97 1sr2 h MET 850 N 1.10 0.65 0.00 0.00 1.85 -0.67 -2.17 114.93 115.69 1sr2 h MET 850 Ca 0.29 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1sr2 h MET 850 Cb -0.07 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 31.88 1sr2 h MET 850 CO -0.06 0.70 0.00 1.28 -0.40 0.00 0.00 176.91 178.44 1sr2 n LEU 851 N -4.53 0.00 -0.00 3.39 4.77 0.36 -4.85 117.00 116.14 1sr2 n LEU 851 Ca -0.01 0.49 -0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1sr2 n LEU 851 Cb 0.23 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1sr2 n LEU 851 CO 0.39 -0.19 -0.00 0.59 -1.33 0.00 0.00 177.39 176.85 1sr2 n ASN 852 N -1.49 -2.81 -4.38 -1.43 5.03 0.38 -4.09 115.26 106.47 1sr2 n ASN 852 Ca 0.05 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.06 1sr2 n ASN 852 Cb 0.21 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 1sr2 n ASN 852 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1sr2 n LEU 853 N -0.00 5.41 -0.00 3.41 4.77 0.12 -4.84 117.00 125.87 1sr2 n LEU 853 Ca -0.00 -4.35 -0.10 0.00 -0.03 0.00 0.00 56.01 51.53 1sr2 n LEU 853 Cb 0.05 -1.63 -0.03 0.00 -2.33 0.00 0.00 43.42 39.48 1sr2 n LEU 853 CO 0.00 0.70 0.71 0.58 -1.33 0.00 0.00 177.39 178.05 1sr2 h VAL 854 N 4.70 0.44 -0.38 4.08 2.07 -1.92 -0.03 116.25 125.21 1sr2 h VAL 854 Ca 0.37 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.93 1sr2 h VAL 854 Cb 0.83 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1sr2 h VAL 854 CO 1.37 0.00 0.26 1.55 0.02 0.00 0.00 177.57 180.77 1sr2 h PRO 855 N -0.29 0.36 -0.14 1.57 0.13 -1.97 0.14 132.00 131.81 1sr2 h PRO 855 Ca 0.10 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1sr2 h PRO 855 Cb 0.44 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1sr2 h PRO 855 CO -0.30 0.24 -0.02 0.78 -0.23 0.00 0.00 178.00 178.46 1sr2 h GLY 856 N 0.37 0.28 1.57 1.56 0.00 -1.62 -0.86 103.07 104.38 1sr2 h GLY 856 Ca 0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1sr2 h GLY 856 CO -0.04 0.21 -0.16 1.70 0.00 0.00 0.00 176.54 178.25 1sr2 h LYS 857 N -0.03 0.51 -0.80 4.80 3.64 -0.56 -1.88 116.57 122.25 1sr2 h LYS 857 Ca 0.04 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1sr2 h LYS 857 Cb 0.43 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1sr2 h LYS 857 CO 0.01 0.65 0.52 1.96 -2.27 0.00 0.00 179.45 180.33 1sr2 h GLN 858 N 0.46 1.01 -0.29 1.90 4.20 -0.53 0.26 115.11 122.13 1sr2 h GLN 858 Ca 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1sr2 h GLN 858 Cb 0.55 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1sr2 h GLN 858 CO 0.04 0.67 0.15 -0.07 -0.67 0.00 0.00 178.83 178.94 1sr2 h LEU 859 N 1.04 0.38 -1.27 1.46 3.38 -0.67 -1.36 115.31 118.27 1sr2 h LEU 859 Ca 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1sr2 h LEU 859 Cb -0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1sr2 h LEU 859 CO -0.09 0.38 0.22 0.00 0.09 0.00 0.00 178.44 179.05 1sr2 h GLU 861 N 0.72 0.15 -0.01 0.00 4.39 -0.13 -0.33 114.58 119.39 1sr2 h GLU 861 Ca 0.18 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 1sr2 h GLU 861 Cb 0.11 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1sr2 h GLU 861 CO -0.02 0.20 -0.44 1.15 -1.16 0.00 0.00 179.01 178.74 1sr2 h THR 862 N 0.06 1.32 -0.12 1.13 2.02 -0.78 -1.40 112.91 115.15 1sr2 h THR 862 Ca 0.04 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 1sr2 h THR 862 Cb 0.10 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1sr2 h THR 862 CO -0.01 0.43 0.07 0.25 0.37 0.00 0.00 175.52 176.63 1sr2 h LEU 863 N 0.01 0.14 -1.27 2.58 6.46 -0.14 0.12 115.31 123.22 1sr2 h LEU 863 Ca -0.00 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1sr2 h LEU 863 Cb 0.78 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 1sr2 h LEU 863 CO 0.06 0.15 0.52 -0.33 -0.62 0.00 0.00 178.44 178.21 1sr2 h GLU 864 N 0.12 0.92 -0.47 1.25 5.08 -0.69 0.15 114.58 120.94 1sr2 h GLU 864 Ca 0.04 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1sr2 h GLU 864 Cb 0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1sr2 h GLU 864 CO -0.01 0.61 0.02 1.25 -1.00 0.00 0.00 179.01 179.88 1sr2 h HIS 865 N 0.95 0.80 -0.13 4.33 -0.00 -0.70 0.23 115.15 120.64 1sr2 h HIS 865 Ca 0.32 -0.10 -0.18 0.00 -0.00 0.00 0.00 60.37 60.40 1sr2 h HIS 865 Cb 0.07 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1sr2 h HIS 865 CO -0.00 0.74 -0.67 -0.07 -0.00 0.00 0.00 177.93 177.93 1sr2 h LEU 866 N 0.72 0.59 -0.42 0.26 3.38 0.76 0.08 115.31 120.68 1sr2 h LEU 866 Ca 0.14 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1sr2 h LEU 866 Cb 0.41 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1sr2 h LEU 866 CO 0.01 1.09 0.02 0.40 0.09 0.00 0.00 178.44 180.06 1sr2 h ILE 867 N 0.36 1.26 0.00 1.22 2.04 -0.44 0.12 117.51 122.07 1sr2 h ILE 867 Ca -0.02 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 1sr2 h ILE 867 Cb 1.24 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1sr2 h ILE 867 CO 0.12 0.34 -0.27 0.08 0.00 0.00 0.00 178.15 178.42 1sr2 h ARG 868 N 0.57 0.00 0.00 2.37 -0.00 -0.45 -1.74 114.38 115.12 1sr2 h ARG 868 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.10 1sr2 h ARG 868 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.42 1sr2 h ARG 868 CO 0.02 0.27 -0.25 1.49 -0.00 0.00 0.00 179.97 181.49 1sr2 h GLU 869 N 0.00 0.00 -3.70 0.08 4.81 -0.60 -3.48 114.58 111.69 1sr2 h GLU 869 Ca -0.00 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.84 1sr2 h GLU 869 Cb 0.51 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.92 1sr2 h GLU 869 CO 0.04 0.00 -0.55 1.17 -0.73 0.00 0.00 179.01 178.94 1sr2 n LYS 870 N -2.32 -3.50 -2.87 1.92 4.81 0.29 -4.93 118.16 111.56 1sr2 n LYS 870 Ca 0.04 0.90 -0.44 0.00 -0.87 0.00 0.00 58.31 57.94 1sr2 n LYS 870 Cb 0.45 -5.59 -0.01 0.00 0.02 0.00 0.00 35.03 29.90 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sr2 s ASP 871 N -2.50 6.92 0.14 3.14 -1.08 -0.50 -4.89 116.67 117.91 1sr2 s ASP 871 Ca 0.18 -2.65 -0.26 0.00 -0.52 0.00 0.00 52.55 49.30 1sr2 s ASP 871 Cb -0.08 -2.44 -0.01 0.00 -1.46 0.00 0.00 42.92 38.93 1sr2 s ASP 871 CO 0.22 -0.91 1.60 0.58 0.52 0.00 0.00 175.17 177.18 1sr2 h VAL 872 N 5.14 0.22 -0.77 1.11 2.07 -1.92 0.50 116.25 122.60 1sr2 h VAL 872 Ca 0.30 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.92 1sr2 h VAL 872 Cb 0.91 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1sr2 h VAL 872 CO 1.26 0.00 0.40 1.55 0.02 0.00 0.00 177.57 180.80 1sr2 h PRO 873 N -0.39 0.63 -0.22 1.57 0.13 -1.99 -0.80 132.00 130.93 1sr2 h PRO 873 Ca 0.11 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.11 1sr2 h PRO 873 Cb 0.57 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1sr2 h PRO 873 CO -0.42 0.42 -0.27 0.78 -0.23 0.00 0.00 178.00 178.28 1sr2 h GLY 874 N 0.65 0.45 0.92 1.56 0.00 -1.79 -2.00 103.07 102.86 1sr2 h GLY 874 Ca 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1sr2 h GLY 874 CO -0.29 0.34 -0.29 -2.22 0.00 0.00 0.00 176.54 174.08 1sr2 h ILE 875 N 0.37 0.37 -0.94 2.60 2.04 0.49 0.59 117.51 123.03 1sr2 h ILE 875 Ca 0.05 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1sr2 h ILE 875 Cb 0.67 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1sr2 h ILE 875 CO 0.05 0.02 0.57 1.05 0.00 0.00 0.00 178.15 179.84 1sr2 h GLU 876 N -0.90 1.27 -0.71 2.37 4.11 -1.33 -0.12 114.58 119.28 1sr2 h GLU 876 Ca -0.08 -0.11 -0.06 0.00 0.07 0.00 0.00 59.36 59.17 1sr2 h GLU 876 Cb 0.65 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1sr2 h GLU 876 CO 0.14 0.89 0.20 -0.22 0.07 0.00 0.00 179.01 180.08 1sr2 h LYS 877 N 1.30 1.12 -0.11 1.06 1.63 -1.31 -1.86 116.57 118.40 1sr2 h LYS 877 Ca 0.34 -0.26 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 1sr2 h LYS 877 Cb -0.06 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 1sr2 h LYS 877 CO -0.06 0.98 -0.48 -0.92 -3.45 0.00 0.00 179.45 175.51 1sr2 h TYR 878 N 1.06 0.33 -0.72 1.91 3.20 -0.10 -0.06 116.97 122.59 1sr2 h TYR 878 Ca 0.23 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1sr2 h TYR 878 Cb 0.34 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1sr2 h TYR 878 CO 0.03 0.70 0.24 0.82 -1.64 0.00 0.00 178.16 178.31 1sr2 h ILE 879 N 0.22 1.26 -0.05 1.81 2.04 -0.72 0.21 117.51 122.28 1sr2 h ILE 879 Ca 0.01 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 64.89 1sr2 h ILE 879 Cb 0.93 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1sr2 h ILE 879 CO 0.08 0.34 -0.52 0.77 0.00 0.00 0.00 178.15 178.82 1sr2 h SER 880 N 1.04 0.14 -0.37 1.72 4.64 -0.99 -0.37 113.55 119.36 1sr2 h SER 880 Ca 0.23 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.33 1sr2 h SER 880 Cb 0.27 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1sr2 h SER 880 CO -0.01 0.63 -0.37 0.44 -0.87 0.00 0.00 176.83 176.65 1sr2 h ASP 881 N 0.10 0.96 -0.02 4.97 3.32 -0.49 0.29 116.42 125.56 1sr2 h ASP 881 Ca 0.00 -0.47 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 1sr2 h ASP 881 Cb 0.95 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1sr2 h ASP 881 CO 0.07 1.23 -0.21 0.40 -1.72 0.00 0.00 179.24 179.01 1sr2 h ILE 882 N 0.71 1.24 -0.10 0.35 2.04 -0.44 -1.42 117.51 119.89 1sr2 h ILE 882 Ca 0.06 -1.13 -0.15 0.00 1.00 0.00 0.00 64.86 64.63 1sr2 h ILE 882 Cb 0.96 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1sr2 h ILE 882 CO 0.09 0.36 -0.54 -0.78 0.00 0.00 0.00 178.15 177.28 1sr2 h ASP 883 N 0.36 0.64 0.06 1.72 3.58 -0.70 -1.71 116.42 120.37 1sr2 h ASP 883 Ca 0.06 -0.65 -0.04 0.00 0.42 0.00 0.00 57.03 56.81 1sr2 h ASP 883 Cb 0.58 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1sr2 h ASP 883 CO 0.04 1.19 -0.13 0.77 -2.88 0.00 0.00 179.24 178.23 1sr2 h SER 884 N 0.13 0.15 0.10 2.28 4.64 -0.36 0.64 113.55 121.13 1sr2 h SER 884 Ca -0.04 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1sr2 h SER 884 Cb 1.19 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1sr2 h SER 884 CO 0.11 0.30 -0.05 0.22 -0.87 0.00 0.00 176.83 176.55 1sr2 h TYR 885 N 0.15 -0.13 -0.13 4.77 3.20 -1.05 -1.68 116.97 122.11 1sr2 h TYR 885 Ca 0.03 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1sr2 h TYR 885 Cb 0.33 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1sr2 h TYR 885 CO 0.00 -0.02 -0.16 -0.24 -1.64 0.00 0.00 178.16 176.10 1sr2 h VAL 886 N -0.20 1.19 -0.51 1.81 3.04 -0.36 -0.91 116.25 120.30 1sr2 h VAL 886 Ca -0.01 -0.84 0.03 0.00 -1.01 0.00 0.00 66.70 64.87 1sr2 h VAL 886 Cb 0.16 1.28 -0.04 0.00 -2.01 0.00 0.00 31.29 30.68 1sr2 h VAL 886 CO 0.02 0.26 0.29 0.11 -1.01 0.00 0.00 177.57 177.24 1sr2 h LYS 887 N 0.19 0.56 0.00 4.17 1.79 0.66 0.15 116.57 124.09 1sr2 h LYS 887 Ca 0.04 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1sr2 h LYS 887 Cb 0.41 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1sr2 h LYS 887 CO 0.03 0.37 -0.31 0.66 -1.08 0.00 0.00 179.45 179.11 1sr2 h SER 888 N 0.57 0.00 1.10 0.86 4.64 -0.79 -3.24 113.55 116.69 1sr2 h SER 888 Ca 0.21 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 1sr2 h SER 888 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1sr2 h SER 888 CO -0.12 0.11 -0.93 -0.07 -0.87 0.00 0.00 176.83 174.96 1sr2 h LEU 889 N 0.00 0.00 0.00 5.97 4.07 -0.83 -3.52 115.31 121.00 1sr2 h LEU 889 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1sr2 h LEU 889 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1sr2 h LEU 889 CO 0.01 0.20 0.00 0.18 -1.08 0.00 0.00 178.44 177.76