#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 0.16 2.12 7.27 -1.26 -4.68 117.38 120.99 1sr2 n GLN 776 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.97 1sr2 n GLN 776 Cb 0.00 -0.06 -0.05 0.00 2.41 0.00 0.00 30.24 32.54 1sr2 n GLN 776 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1sr2 h GLU 777 N 0.00 -0.51 0.00 3.69 3.07 -2.09 -3.42 114.58 115.32 1sr2 h GLU 777 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1sr2 h GLU 777 Cb 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1sr2 h GLU 777 CO 0.00 -0.34 -0.07 0.00 -1.40 0.00 0.00 179.01 177.20 1sr2 n ALA 778 N -2.54 0.81 0.00 3.43 0.00 -1.26 -5.05 120.51 115.90 1sr2 n ALA 778 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1sr2 n ALA 778 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sr2 n VAL 779 N -0.46 0.00 -3.04 0.00 0.31 -1.26 -4.72 118.33 109.16 1sr2 n VAL 779 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sr2 n VAL 779 Cb 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1sr2 n VAL 779 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sr2 n LEU 780 N 0.00 0.00 -0.03 7.52 4.77 -1.26 -4.94 117.00 123.07 1sr2 n LEU 780 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1sr2 n LEU 780 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1sr2 n LEU 780 CO 0.00 -0.00 -0.36 1.56 -1.33 0.00 0.00 177.39 177.25 1sr2 h GLN 781 N 0.00 0.16 0.00 3.23 4.20 -2.03 -3.48 115.11 117.18 1sr2 h GLN 781 Ca 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1sr2 h GLN 781 Cb 0.00 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1sr2 h GLN 781 CO 0.00 1.13 0.00 1.47 -0.67 0.00 0.00 178.83 180.76 1sr2 n LEU 782 N -4.10 0.00 0.00 1.46 -0.00 -1.26 -4.96 117.00 108.13 1sr2 n LEU 782 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 1sr2 n LEU 782 Cb 0.81 0.13 0.00 0.00 -0.00 0.00 0.00 43.42 44.35 1sr2 n LEU 782 CO 0.35 -0.13 0.00 2.30 -0.00 0.00 0.00 177.39 179.92 1sr2 n ILE 783 N -1.89 0.00 -2.79 1.47 -5.35 -1.26 -5.02 119.36 104.51 1sr2 n ILE 783 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 1sr2 n ILE 783 Cb 0.00 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 37.93 1sr2 n ILE 783 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1sr2 n GLU 784 N 0.00 -3.37 -0.82 6.28 4.71 -1.26 -4.90 120.64 121.29 1sr2 n GLU 784 Ca 0.00 0.58 -0.04 0.00 -0.01 0.00 0.00 57.16 57.69 1sr2 n GLU 784 Cb 0.00 -4.77 0.23 0.00 -1.01 0.00 0.00 31.44 25.89 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1sr2 n VAL 785 N -4.07 2.66 -0.18 2.62 0.24 -1.26 -4.83 118.33 113.50 1sr2 n VAL 785 Ca -0.07 -2.19 -0.09 0.00 -2.04 0.00 0.00 64.34 59.95 1sr2 n VAL 785 Cb 0.57 -0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.57 1sr2 n VAL 785 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1sr2 h GLN 786 N 1.54 -0.25 -0.73 7.34 4.20 -2.00 0.08 115.11 125.28 1sr2 h GLN 786 Ca 0.23 0.02 -0.47 0.00 0.06 0.00 0.00 58.65 58.49 1sr2 h GLN 786 Cb 1.91 0.06 -0.28 0.00 0.30 0.00 0.00 27.48 29.47 1sr2 h GLN 786 CO 0.52 -0.17 0.09 1.28 -0.67 0.00 0.00 178.83 179.88 1sr2 n LEU 787 N -5.40 5.75 0.00 1.46 4.77 -1.26 -4.72 117.00 117.59 1sr2 n LEU 787 Ca 0.01 -4.19 0.00 0.00 -0.03 0.00 0.00 56.01 51.80 1sr2 n LEU 787 Cb 0.35 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1sr2 n LEU 787 CO -0.00 1.54 0.00 0.00 -1.33 0.00 0.00 177.39 177.60 1sr2 n ALA 788 N -0.95 2.26 0.00 -1.18 0.00 -0.39 -5.13 120.51 115.13 1sr2 n ALA 788 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1sr2 n ALA 788 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1sr2 n ALA 788 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sr2 n GLN 789 N -2.04 0.00 -3.83 0.00 -0.00 -0.12 -4.69 117.38 106.69 1sr2 n GLN 789 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.88 1sr2 n GLN 789 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 30.24 30.11 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1sr2 s GLU 790 N 0.00 0.15 0.22 2.61 -1.05 -1.26 -5.10 118.70 114.27 1sr2 s GLU 790 Ca 0.00 0.17 -0.11 0.00 -0.15 0.00 0.00 54.97 54.88 1sr2 s GLU 790 Cb 0.00 0.07 -0.07 0.00 -0.44 0.00 0.00 34.13 33.69 1sr2 s GLU 790 CO 0.00 -0.02 0.57 -1.83 0.95 0.00 0.00 175.26 174.93 1sr2 s GLU 791 N 0.05 3.87 -0.00 -4.83 -1.05 -1.26 -5.09 118.70 110.38 1sr2 s GLU 791 Ca -0.00 0.37 0.03 0.00 -0.15 0.00 0.00 54.97 55.22 1sr2 s GLU 791 Cb -0.01 -2.70 -0.01 0.00 -0.44 0.00 0.00 34.13 30.97 1sr2 s GLU 791 CO 0.00 0.34 -0.09 0.14 0.95 0.00 0.00 175.26 176.61 1sr2 s VAL 792 N -1.74 0.71 -1.25 1.83 -7.23 -1.26 -5.05 120.40 106.41 1sr2 s VAL 792 Ca 0.45 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 60.06 1sr2 s VAL 792 Cb -0.12 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 1sr2 s VAL 792 CO 0.20 0.16 2.32 0.41 -0.31 0.00 0.00 175.10 177.89 1sr2 n THR 793 N 2.76 3.12 0.00 5.32 -1.04 -1.26 -3.90 114.28 119.28 1sr2 n THR 793 Ca -0.14 -2.31 0.00 0.00 -2.04 0.00 0.00 64.05 59.57 1sr2 n THR 793 Cb 0.57 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.62 1sr2 n THR 793 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1sr2 n GLU 794 N 5.33 1.18 -0.16 -2.82 0.28 -1.26 -4.74 120.64 118.45 1sr2 n GLU 794 Ca 0.57 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.55 1sr2 n GLU 794 Cb 0.31 -0.99 0.05 0.00 1.43 0.00 0.00 31.44 32.24 1sr2 n GLU 794 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1sr2 h SER 795 N 0.00 -0.31 -3.18 -1.84 0.02 -2.00 -3.39 113.55 102.86 1sr2 h SER 795 Ca 0.00 0.13 -0.54 0.00 -0.84 0.00 0.00 61.79 60.54 1sr2 h SER 795 Cb 0.27 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1sr2 h SER 795 CO 0.00 -0.11 0.58 -2.84 -1.14 0.00 0.00 176.83 173.32 1sr2 s PRO 796 N -6.19 4.42 -1.00 3.45 0.02 -1.26 -4.95 135.00 129.50 1sr2 s PRO 796 Ca -0.14 1.74 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 1sr2 s PRO 796 Cb 0.16 -3.39 -0.00 0.00 0.02 0.00 0.00 34.50 31.29 1sr2 s PRO 796 CO 0.72 -0.28 1.73 -0.48 -0.33 0.00 0.00 177.00 178.36 1sr2 s LEU 797 N 1.26 3.34 0.05 -5.54 2.34 -1.26 -4.69 118.68 114.17 1sr2 s LEU 797 Ca 0.58 -1.19 0.17 0.00 0.06 0.00 0.00 54.13 53.75 1sr2 s LEU 797 Cb -0.28 -2.57 -0.15 0.00 -0.56 0.00 0.00 46.19 42.63 1sr2 s LEU 797 CO 0.28 -2.15 0.79 0.61 -1.06 0.00 0.00 176.35 174.82 1sr2 n GLY 798 N 6.70 -1.18 2.69 -3.48 0.00 -1.26 -4.83 105.19 103.83 1sr2 n GLY 798 Ca 0.38 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 1sr2 n GLY 798 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sr2 s GLY 799 N -4.82 0.23 -0.18 -0.02 0.00 -1.26 -4.99 107.32 96.29 1sr2 s GLY 799 Ca -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1sr2 s GLY 799 CO 0.81 1.29 0.04 1.34 0.00 0.00 0.00 173.10 176.59 1sr2 n ASP 800 N 5.18 -4.53 -0.14 1.64 -0.08 -1.26 -4.66 116.55 112.70 1sr2 n ASP 800 Ca -0.06 0.91 -0.10 0.00 -1.51 0.00 0.00 54.79 54.04 1sr2 n ASP 800 Cb 0.50 -3.78 -0.01 0.00 2.34 0.00 0.00 41.12 40.17 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1sr2 h GLU 801 N 2.14 0.64 -0.40 -0.67 3.07 -1.94 -2.03 114.58 115.38 1sr2 h GLU 801 Ca -0.10 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 1sr2 h GLU 801 Cb 0.23 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1sr2 h GLU 801 CO 0.05 0.66 0.09 -0.97 -1.40 0.00 0.00 179.01 177.44 1sr2 h ASN 802 N 0.50 0.62 0.11 1.42 -0.73 -1.96 0.11 115.58 115.66 1sr2 h ASN 802 Ca 0.13 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 58.05 1sr2 h ASN 802 Cb 0.31 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1sr2 h ASN 802 CO 0.00 0.71 -0.05 0.00 -0.37 0.00 0.00 177.43 177.71 1sr2 h ALA 803 N 0.94 -0.15 -0.41 1.57 0.00 -1.89 -1.01 119.26 118.31 1sr2 h ALA 803 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sr2 h ALA 803 Cb 0.33 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1sr2 h ALA 803 CO 0.00 -0.56 0.25 0.37 0.00 0.00 0.00 179.25 179.32 1sr2 h GLN 804 N -0.19 0.56 -0.52 0.00 5.75 -1.23 -0.80 115.11 118.68 1sr2 h GLN 804 Ca -0.02 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.32 1sr2 h GLN 804 Cb 0.15 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1sr2 h GLN 804 CO 0.02 0.40 -0.12 1.37 -2.65 0.00 0.00 178.83 177.86 1sr2 h LEU 805 N 0.55 1.00 0.00 -2.39 8.10 -0.66 -1.85 115.31 120.06 1sr2 h LEU 805 Ca 0.15 -0.33 -0.09 0.00 0.11 0.00 0.00 57.88 57.72 1sr2 h LEU 805 Cb -0.01 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 39.92 1sr2 h LEU 805 CO -0.03 1.12 -0.55 1.12 -4.11 0.00 0.00 178.44 175.99 1sr2 h HIS 806 N 0.88 0.00 -0.00 0.17 2.07 -1.10 -2.23 115.15 114.94 1sr2 h HIS 806 Ca 0.14 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.42 1sr2 h HIS 806 Cb 0.68 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.67 1sr2 h HIS 806 CO 0.04 0.39 -0.97 0.00 -3.07 0.00 0.00 177.93 174.32 1sr2 h ALA 807 N 1.61 0.28 0.00 6.11 0.00 -0.95 -3.08 119.26 123.24 1sr2 h ALA 807 Ca -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 1sr2 h ALA 807 Cb 1.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1sr2 h ALA 807 CO 0.05 0.77 -0.19 0.66 0.00 0.00 0.00 179.25 180.54 1sr2 h SER 808 N 0.30 0.00 0.00 0.00 4.64 -1.41 -3.46 113.55 113.61 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 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1sr2 h SER 808 CO 0.18 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1sr2 n GLY 809 N -0.24 0.97 0.88 -0.77 0.00 -1.16 -4.97 105.19 99.91 1sr2 n GLY 809 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.04 0.29 -0.25 1.61 4.01 -0.85 -4.12 117.16 115.80 1sr2 n TYR 810 Ca 0.00 -0.14 -0.06 0.00 -0.16 0.00 0.00 57.90 57.54 1sr2 n TYR 810 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.08 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 3.65 0.95 -0.69 -0.72 3.20 -1.78 -0.57 116.97 121.01 1sr2 h TYR 811 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1sr2 h TYR 811 Cb 0.80 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1sr2 h TYR 811 CO 0.14 0.66 0.45 0.00 -1.64 0.00 0.00 178.16 177.77 1sr2 h ALA 812 N 1.21 0.89 -0.39 1.82 0.00 -1.91 -0.91 119.26 119.96 1sr2 h ALA 812 Ca 0.25 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1sr2 h ALA 812 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1sr2 h ALA 812 CO -0.04 0.26 -0.07 1.25 0.00 0.00 0.00 179.25 180.65 1sr2 h LEU 813 N 0.90 0.74 -0.55 0.00 6.46 -1.71 -1.19 115.31 119.96 1sr2 h LEU 813 Ca 0.26 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1sr2 h LEU 813 Cb -0.06 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.65 1sr2 h LEU 813 CO -0.08 0.91 0.28 0.15 -0.62 0.00 0.00 178.44 179.09 1sr2 h PHE 814 N 0.55 0.77 0.00 1.25 3.57 -0.72 0.40 116.94 122.76 1sr2 h PHE 814 Ca 0.10 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1sr2 h PHE 814 Cb 0.57 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1sr2 h PHE 814 CO 0.05 0.58 -0.29 -0.39 -2.23 0.00 0.00 178.31 176.03 1sr2 h VAL 815 N 0.74 0.45 0.10 1.41 -1.51 -1.14 -3.02 116.25 113.28 1sr2 h VAL 815 Ca 0.19 -1.64 -0.24 0.00 -1.23 0.00 0.00 66.70 63.78 1sr2 h VAL 815 Cb 0.08 2.21 -0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1sr2 h VAL 815 CO -0.03 0.26 -1.20 -0.78 -1.23 0.00 0.00 177.57 174.59 1sr2 h ASP 816 N 0.00 0.33 0.00 4.19 3.58 -0.90 -3.41 116.42 120.21 1sr2 h ASP 816 Ca -0.00 -0.85 -0.06 0.00 0.42 0.00 0.00 57.03 56.53 1sr2 h ASP 816 Cb 1.21 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 1sr2 h ASP 816 CO 0.03 1.53 -0.62 0.74 -2.88 0.00 0.00 179.24 178.04 1sr2 h THR 817 N -0.43 0.34 0.47 2.25 2.02 -1.05 -3.40 112.91 113.12 1sr2 h THR 817 Ca -0.26 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 1sr2 h THR 817 Cb 1.65 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1sr2 h THR 817 CO 0.05 0.12 -0.37 0.58 0.37 0.00 0.00 175.52 176.26 1sr2 h VAL 818 N -1.00 0.24 -0.46 3.16 2.07 -1.67 -1.22 116.25 117.36 1sr2 h VAL 818 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1sr2 h VAL 818 Cb 0.68 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1sr2 h VAL 818 CO -0.06 0.00 0.32 -0.65 0.02 0.00 0.00 177.57 177.20 1sr2 h PRO 819 N -0.83 0.26 -0.06 1.57 0.11 -1.80 0.26 132.00 131.51 1sr2 h PRO 819 Ca -0.05 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.80 1sr2 h PRO 819 Cb 0.71 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.78 1sr2 h PRO 819 CO -0.01 0.17 -0.93 0.22 -0.21 0.00 0.00 178.00 177.25 1sr2 h ASP 820 N 0.27 0.90 -0.25 -2.05 3.58 -1.68 -1.67 116.42 115.52 1sr2 h ASP 820 Ca 0.21 -0.66 -0.14 0.00 0.42 0.00 0.00 57.03 56.86 1sr2 h ASP 820 Cb 0.48 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1sr2 h ASP 820 CO -0.04 1.46 -0.34 0.44 -2.88 0.00 0.00 179.24 177.88 1sr2 h ASP 821 N 0.45 0.81 0.39 2.28 5.19 0.11 -0.41 116.42 125.24 1sr2 h ASP 821 Ca -0.09 -0.34 -0.14 0.00 -0.62 0.00 0.00 57.03 55.84 1sr2 h ASP 821 Cb 1.57 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 1sr2 h ASP 821 CO 0.18 1.08 -0.58 -0.37 -3.12 0.00 0.00 179.24 176.44 1sr2 h VAL 822 N 0.65 1.38 -0.43 -1.35 -1.51 -0.60 0.74 116.25 115.14 1sr2 h VAL 822 Ca 0.07 -1.93 -0.02 0.00 -1.23 0.00 0.00 66.70 63.59 1sr2 h VAL 822 Cb 0.88 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 32.00 1sr2 h VAL 822 CO 0.08 0.57 0.20 0.50 -1.23 0.00 0.00 177.57 177.69 1sr2 h LYS 823 N 0.14 0.62 -0.41 5.19 3.64 -0.97 0.87 116.57 125.66 1sr2 h LYS 823 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1sr2 h LYS 823 Cb 1.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1sr2 h LYS 823 CO 0.09 0.54 0.26 -0.09 -2.27 0.00 0.00 179.45 177.98 1sr2 h ARG 824 N 0.56 0.55 -0.42 1.90 2.43 -0.82 -0.62 114.38 117.95 1sr2 h ARG 824 Ca 0.15 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1sr2 h ARG 824 Cb 0.13 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1sr2 h ARG 824 CO -0.02 0.38 0.12 -0.07 -1.51 0.00 0.00 179.97 178.88 1sr2 h LEU 825 N 0.55 0.09 -0.35 3.80 3.38 -0.52 0.14 115.31 122.40 1sr2 h LEU 825 Ca 0.15 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1sr2 h LEU 825 Cb -0.04 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1sr2 h LEU 825 CO -0.03 0.08 0.20 1.88 0.09 0.00 0.00 178.44 180.66 1sr2 h TYR 826 N 0.27 0.37 -0.32 1.13 0.05 -0.54 0.20 116.97 118.12 1sr2 h TYR 826 Ca 0.20 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 1sr2 h TYR 826 Cb 0.22 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1sr2 h TYR 826 CO -0.18 0.21 0.03 1.15 -1.05 0.00 0.00 178.16 178.33 1sr2 h THR 827 N 0.41 1.24 0.00 -2.88 2.02 -0.45 -2.00 112.91 111.25 1sr2 h THR 827 Ca 0.14 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 1sr2 h THR 827 Cb 0.02 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1sr2 h THR 827 CO -0.08 0.29 -0.38 -0.33 0.37 0.00 0.00 175.52 175.40 1sr2 h GLU 828 N 0.36 0.00 -0.60 6.66 3.07 -0.69 -2.84 114.58 120.54 1sr2 h GLU 828 Ca 0.09 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1sr2 h GLU 828 Cb 0.39 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1sr2 h GLU 828 CO 0.01 0.38 0.09 0.00 -1.40 0.00 0.00 179.01 178.09 1sr2 h ALA 829 N 1.62 1.02 -0.85 3.43 0.00 -0.30 0.60 119.26 124.78 1sr2 h ALA 829 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1sr2 h ALA 829 Cb 1.18 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1sr2 h ALA 829 CO 0.05 0.62 0.50 0.00 0.00 0.00 0.00 179.25 180.42 1sr2 h ALA 830 N 1.17 1.09 0.00 0.00 0.00 -1.13 -1.35 119.26 119.04 1sr2 h ALA 830 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sr2 h ALA 830 Cb 0.41 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sr2 h ALA 830 CO 0.01 0.56 0.00 0.25 0.00 0.00 0.00 179.25 180.07 1sr2 n THR 831 N -4.42 0.24 -2.94 0.00 -2.24 -1.06 -4.91 114.28 98.96 1sr2 n THR 831 Ca 0.09 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.66 1sr2 n THR 831 Cb 0.07 -0.58 0.03 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.69 -5.06 -4.10 3.42 7.64 -0.12 -4.91 113.62 108.80 1sr2 n SER 832 Ca 0.06 -0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.26 1sr2 n SER 832 Cb 0.34 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.69 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 -1.54 4.45 0.07 6.43 -0.08 0.02 -4.76 116.55 121.14 1sr2 n ASP 833 Ca -0.06 -2.90 0.09 0.00 -1.51 0.00 0.00 54.79 50.40 1sr2 n ASP 833 Cb 0.58 -1.67 0.54 0.00 2.34 0.00 0.00 41.12 42.91 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 6.62 0.27 -0.84 -0.67 0.04 -1.91 0.24 116.94 120.69 1sr2 h PHE 834 Ca 0.49 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.27 1sr2 h PHE 834 Cb 0.74 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 1sr2 h PHE 834 CO 1.41 0.16 0.52 0.00 -0.60 0.00 0.00 178.31 179.80 1sr2 h ALA 835 N 1.82 1.07 -0.00 2.45 0.00 -1.96 0.15 119.26 122.78 1sr2 h ALA 835 Ca 0.14 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1sr2 h ALA 835 Cb 0.19 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sr2 h ALA 835 CO -0.03 0.51 -0.99 0.00 0.00 0.00 0.00 179.25 178.75 1sr2 h ALA 836 N 1.28 0.25 -0.14 0.00 0.00 -1.39 -1.91 119.26 117.35 1sr2 h ALA 836 Ca 0.30 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1sr2 h ALA 836 Cb -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1sr2 h ALA 836 CO -0.06 0.75 -0.02 -0.07 0.00 0.00 0.00 179.25 179.85 1sr2 h LEU 837 N 0.32 -0.09 -0.75 0.00 4.07 -0.30 0.22 115.31 118.79 1sr2 h LEU 837 Ca -0.10 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1sr2 h LEU 837 Cb 1.63 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.41 1sr2 h LEU 837 CO 0.18 -0.03 0.32 0.00 -1.08 0.00 0.00 178.44 177.84 1sr2 h ALA 838 N 1.13 0.97 -0.34 1.53 0.00 -0.71 0.79 119.26 122.63 1sr2 h ALA 838 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1sr2 h ALA 838 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sr2 h ALA 838 CO -0.13 0.57 0.10 1.96 0.00 0.00 0.00 179.25 181.75 1sr2 h GLN 839 N 1.07 0.53 -0.36 0.00 1.08 -0.91 0.11 115.11 116.64 1sr2 h GLN 839 Ca 0.25 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1sr2 h GLN 839 Cb 0.18 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1sr2 h GLN 839 CO -0.02 0.57 -0.13 1.15 -0.95 0.00 0.00 178.83 179.45 1sr2 h THR 840 N 0.40 1.28 -0.50 -0.54 2.02 -0.35 -1.04 112.91 114.18 1sr2 h THR 840 Ca 0.11 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.00 1sr2 h THR 840 Cb 0.26 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1sr2 h THR 840 CO -0.00 0.40 0.05 0.00 0.37 0.00 0.00 175.52 176.34 1sr2 h ALA 841 N 0.81 1.15 -0.28 6.16 0.00 -0.79 0.19 119.26 126.50 1sr2 h ALA 841 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sr2 h ALA 841 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1sr2 h ALA 841 CO 0.04 0.56 0.18 1.25 0.00 0.00 0.00 179.25 181.28 1sr2 h HIS 842 N 0.76 0.36 -0.64 0.00 6.17 -0.61 0.83 115.15 122.01 1sr2 h HIS 842 Ca 0.16 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.21 1sr2 h HIS 842 Cb 0.39 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.17 1sr2 h HIS 842 CO 0.02 0.25 0.27 -0.09 0.71 0.00 0.00 177.93 179.08 1sr2 h ARG 843 N 0.36 0.96 -0.61 5.26 1.12 -0.68 -1.67 114.38 119.12 1sr2 h ARG 843 Ca 0.10 -0.17 -0.06 0.00 -1.11 0.00 0.00 59.98 58.74 1sr2 h ARG 843 Cb -0.01 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 29.76 1sr2 h ARG 843 CO -0.02 0.80 0.15 -0.07 -3.11 0.00 0.00 179.97 177.72 1sr2 h LEU 844 N 0.90 0.92 -0.92 3.80 3.38 -0.37 -0.22 115.31 122.80 1sr2 h LEU 844 Ca 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1sr2 h LEU 844 Cb 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1sr2 h LEU 844 CO -0.02 0.91 0.52 0.50 0.09 0.00 0.00 178.44 180.44 1sr2 h LYS 845 N 0.89 1.27 -0.32 1.13 3.64 -0.61 0.10 116.57 122.68 1sr2 h LYS 845 Ca 0.19 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1sr2 h LYS 845 Cb 0.35 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1sr2 h LYS 845 CO 0.00 0.92 -0.11 0.78 -2.27 0.00 0.00 179.45 178.77 1sr2 h GLY 846 N 1.28 0.69 1.51 5.01 0.00 -0.85 -1.76 103.07 108.94 1sr2 h GLY 846 Ca 0.32 -0.59 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 1sr2 h GLY 846 CO -0.05 0.54 -0.74 -0.24 0.00 0.00 0.00 176.54 176.04 1sr2 h VAL 847 N 0.40 1.36 -0.51 4.60 3.04 -0.80 -0.76 116.25 123.58 1sr2 h VAL 847 Ca 0.08 -2.11 -0.11 0.00 -1.01 0.00 0.00 66.70 63.54 1sr2 h VAL 847 Cb 0.62 2.09 -0.02 0.00 -2.01 0.00 0.00 31.29 31.97 1sr2 h VAL 847 CO 0.04 0.64 -0.12 -0.26 -1.01 0.00 0.00 177.57 176.86 1sr2 h PHE 848 N 0.33 1.10 -0.32 3.17 -1.00 -0.82 -0.07 116.94 119.33 1sr2 h PHE 848 Ca -0.04 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.47 1sr2 h PHE 848 Cb 1.33 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 1sr2 h PHE 848 CO 0.05 1.04 0.02 0.00 -1.61 0.00 0.00 178.31 177.82 1sr2 h ALA 849 N 0.90 1.45 -0.33 2.45 0.00 -1.24 0.12 119.26 122.62 1sr2 h ALA 849 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sr2 h ALA 849 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sr2 h ALA 849 CO 0.05 0.39 0.09 1.98 0.00 0.00 0.00 179.25 181.76 1sr2 h MET 850 N 0.47 0.52 0.00 0.00 1.85 -0.50 -1.99 114.93 115.27 1sr2 h MET 850 Ca 0.10 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1sr2 h MET 850 Cb 0.27 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.23 1sr2 h MET 850 CO 0.01 0.57 0.00 1.28 -0.40 0.00 0.00 176.91 178.37 1sr2 n LEU 851 N -4.65 0.41 -0.31 3.39 4.77 -0.10 -4.87 117.00 115.65 1sr2 n LEU 851 Ca -0.02 0.59 -0.03 0.00 -0.03 0.00 0.00 56.01 56.52 1sr2 n LEU 851 Cb 0.18 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1sr2 n LEU 851 CO 0.37 -0.37 -0.04 0.59 -1.33 0.00 0.00 177.39 176.61 1sr2 n ASN 852 N -1.94 -2.60 -4.49 -1.43 3.02 0.19 -4.88 115.26 103.13 1sr2 n ASN 852 Ca 0.03 0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 1sr2 n ASN 852 Cb 0.24 -1.18 -0.02 0.00 -0.61 0.00 0.00 39.78 38.22 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1sr2 s LEU 853 N -0.83 4.62 0.11 3.41 0.20 0.19 -4.65 118.68 121.74 1sr2 s LEU 853 Ca 0.00 -2.25 -0.31 0.00 0.69 0.00 0.00 54.13 52.26 1sr2 s LEU 853 Cb 0.00 -2.45 -0.10 0.00 -0.43 0.00 0.00 46.19 43.21 1sr2 s LEU 853 CO 0.00 -1.07 1.58 0.58 -0.29 0.00 0.00 176.35 177.15 1sr2 h VAL 854 N 5.65 0.12 -0.52 1.68 2.07 -1.93 0.18 116.25 123.51 1sr2 h VAL 854 Ca 0.24 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 1sr2 h VAL 854 Cb 0.96 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1sr2 h VAL 854 CO 1.25 0.00 0.32 -0.65 0.02 0.00 0.00 177.57 178.51 1sr2 h PRO 855 N -0.65 0.69 -0.18 1.57 0.11 -1.98 0.33 132.00 131.89 1sr2 h PRO 855 Ca 0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1sr2 h PRO 855 Cb 0.69 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1sr2 h PRO 855 CO -0.27 0.48 0.01 0.78 -0.21 0.00 0.00 178.00 178.78 1sr2 h GLY 856 N 0.73 0.33 1.13 -0.55 0.00 -1.80 -0.81 103.07 102.11 1sr2 h GLY 856 Ca 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1sr2 h GLY 856 CO -0.04 0.22 0.35 1.70 0.00 0.00 0.00 176.54 178.77 1sr2 h LYS 857 N 0.07 1.12 -0.67 4.80 3.64 -0.18 -1.96 116.57 123.39 1sr2 h LYS 857 Ca 0.05 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1sr2 h LYS 857 Cb 0.36 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 1sr2 h LYS 857 CO 0.01 0.88 0.35 0.37 -2.27 0.00 0.00 179.45 178.79 1sr2 h GLN 858 N 1.11 0.61 -0.14 1.90 4.15 -0.10 0.13 115.11 122.76 1sr2 h GLN 858 Ca 0.26 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1sr2 h GLN 858 Cb 0.14 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1sr2 h GLN 858 CO -0.03 0.40 0.07 -0.07 -1.93 0.00 0.00 178.83 177.28 1sr2 h LEU 859 N 0.63 0.18 -0.74 -2.39 3.38 -0.63 -1.93 115.31 113.80 1sr2 h LEU 859 Ca 0.32 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1sr2 h LEU 859 Cb 0.26 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1sr2 h LEU 859 CO -0.22 0.23 0.38 0.00 0.09 0.00 0.00 178.44 178.91 1sr2 h GLU 861 N 1.04 0.34 -0.42 0.00 5.08 -0.69 -1.32 114.58 118.61 1sr2 h GLU 861 Ca 0.26 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1sr2 h GLU 861 Cb 0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1sr2 h GLU 861 CO -0.04 0.27 -0.02 1.15 -1.00 0.00 0.00 179.01 179.38 1sr2 h THR 862 N 0.31 1.23 0.34 1.13 2.02 -1.00 -2.10 112.91 114.84 1sr2 h THR 862 Ca 0.09 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1sr2 h THR 862 Cb 0.02 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1sr2 h THR 862 CO -0.02 0.33 -0.18 0.25 0.37 0.00 0.00 175.52 176.27 1sr2 h LEU 863 N 0.65 -0.45 -1.30 2.58 6.46 0.15 0.29 115.31 123.68 1sr2 h LEU 863 Ca 0.13 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1sr2 h LEU 863 Cb 0.43 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1sr2 h LEU 863 CO 0.02 -0.30 -0.17 1.05 -0.62 0.00 0.00 178.44 178.42 1sr2 h GLU 864 N -0.49 0.27 -0.52 1.25 4.11 -1.19 0.11 114.58 118.12 1sr2 h GLU 864 Ca -0.04 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 1sr2 h GLU 864 Cb 0.39 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1sr2 h GLU 864 CO 0.06 0.43 0.21 1.25 0.07 0.00 0.00 179.01 181.03 1sr2 h HIS 865 N 0.25 0.79 -0.10 2.06 2.76 -1.01 0.12 115.15 120.02 1sr2 h HIS 865 Ca 0.05 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1sr2 h HIS 865 Cb 0.45 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1sr2 h HIS 865 CO 0.01 0.65 -0.18 -0.07 -1.30 0.00 0.00 177.93 177.04 1sr2 h LEU 866 N 0.70 0.16 -0.09 0.26 3.38 0.88 -1.10 115.31 119.50 1sr2 h LEU 866 Ca 0.17 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 1sr2 h LEU 866 Cb 0.20 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sr2 h LEU 866 CO -0.01 0.35 -0.65 0.40 0.09 0.00 0.00 178.44 178.62 1sr2 h ILE 867 N 0.16 1.34 -0.48 1.22 2.04 -0.34 0.38 117.51 121.83 1sr2 h ILE 867 Ca 0.03 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1sr2 h ILE 867 Cb 0.41 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1sr2 h ILE 867 CO 0.03 0.59 0.24 0.08 0.00 0.00 0.00 178.15 179.09 1sr2 h ARG 868 N 0.23 0.66 -0.11 2.37 -0.00 -0.47 -0.64 114.38 116.42 1sr2 h ARG 868 Ca -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 1sr2 h ARG 868 Cb 1.30 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 1sr2 h ARG 868 CO 0.13 0.51 0.00 0.39 -0.00 0.00 0.00 179.97 181.00 1sr2 n GLU 869 N -4.39 1.69 -3.78 0.08 -0.58 -0.44 -4.93 120.64 108.29 1sr2 n GLU 869 Ca 0.04 -1.03 -0.26 0.00 -0.42 0.00 0.00 57.16 55.49 1sr2 n GLU 869 Cb 0.12 -1.42 0.04 0.00 -0.57 0.00 0.00 31.44 29.61 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sr2 n LYS 870 N 0.25 -5.83 -2.30 3.49 4.01 -0.25 -4.89 118.16 112.64 1sr2 n LYS 870 Ca 0.17 0.65 -0.43 0.00 -0.51 0.00 0.00 58.31 58.20 1sr2 n LYS 870 Cb 0.33 -5.49 0.00 0.00 -0.51 0.00 0.00 35.03 29.36 1sr2 n LYS 870 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1sr2 n ASP 871 N -2.94 4.77 -0.08 4.39 -0.08 0.12 -4.87 116.55 117.86 1sr2 n ASP 871 Ca -0.07 -3.00 -0.11 0.00 -1.51 0.00 0.00 54.79 50.10 1sr2 n ASP 871 Cb 0.58 -1.57 -0.05 0.00 2.34 0.00 0.00 41.12 42.41 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 4.16 0.12 -1.00 5.18 2.07 -1.90 0.39 116.25 125.27 1sr2 h VAL 872 Ca 0.43 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.04 1sr2 h VAL 872 Cb 0.70 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1sr2 h VAL 872 CO 1.61 0.00 0.64 1.55 0.02 0.00 0.00 177.57 181.40 1sr2 h PRO 873 N -0.39 1.09 -0.29 1.57 0.13 -1.98 -1.24 132.00 130.89 1sr2 h PRO 873 Ca 0.11 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1sr2 h PRO 873 Cb 0.60 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1sr2 h PRO 873 CO -0.51 0.72 -0.25 0.78 -0.23 0.00 0.00 178.00 178.50 1sr2 h GLY 874 N 1.12 0.61 1.00 1.56 0.00 -1.52 -1.82 103.07 104.03 1sr2 h GLY 874 Ca 0.45 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1sr2 h GLY 874 CO -0.20 0.47 -0.25 -2.22 0.00 0.00 0.00 176.54 174.33 1sr2 h ILE 875 N 0.50 0.48 -0.87 2.60 2.04 0.87 0.12 117.51 123.26 1sr2 h ILE 875 Ca 0.07 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1sr2 h ILE 875 Cb 0.70 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1sr2 h ILE 875 CO 0.05 0.00 0.58 -0.33 0.00 0.00 0.00 178.15 178.45 1sr2 h GLU 876 N -0.71 1.12 -0.14 2.37 5.08 -1.35 0.37 114.58 121.32 1sr2 h GLU 876 Ca -0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1sr2 h GLU 876 Cb 0.54 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1sr2 h GLU 876 CO 0.12 0.74 0.06 0.87 -1.00 0.00 0.00 179.01 179.80 1sr2 h LYS 877 N 1.16 0.13 -0.14 2.33 1.57 -1.12 0.16 116.57 120.67 1sr2 h LYS 877 Ca 0.33 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1sr2 h LYS 877 Cb -0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1sr2 h LYS 877 CO -0.08 0.09 -0.45 1.88 -0.57 0.00 0.00 179.45 180.31 1sr2 h TYR 878 N 0.14 0.40 -0.80 -1.35 -1.99 -0.30 0.53 116.97 113.59 1sr2 h TYR 878 Ca 0.06 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1sr2 h TYR 878 Cb 0.01 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 1sr2 h TYR 878 CO -0.09 0.73 0.44 0.82 -0.00 0.00 0.00 178.16 180.06 1sr2 h ILE 879 N 0.27 1.24 -0.14 -2.88 2.04 -0.67 -1.45 117.51 115.92 1sr2 h ILE 879 Ca 0.02 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 1sr2 h ILE 879 Cb 0.90 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1sr2 h ILE 879 CO 0.07 0.26 -0.20 0.28 0.00 0.00 0.00 178.15 178.57 1sr2 h SER 880 N 1.12 0.23 -0.34 1.72 0.02 -0.14 -0.81 113.55 115.34 1sr2 h SER 880 Ca 0.28 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 61.04 1sr2 h SER 880 Cb 0.03 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1sr2 h SER 880 CO -0.05 0.44 -0.28 0.44 -1.14 0.00 0.00 176.83 176.25 1sr2 h ASP 881 N 0.22 0.89 0.18 3.07 3.32 -0.12 0.43 116.42 124.42 1sr2 h ASP 881 Ca 0.04 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.59 1sr2 h ASP 881 Cb 0.48 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1sr2 h ASP 881 CO 0.03 1.11 -0.52 0.40 -1.72 0.00 0.00 179.24 178.55 1sr2 h ILE 882 N 0.73 1.34 -0.15 0.35 2.04 -1.02 -1.15 117.51 119.65 1sr2 h ILE 882 Ca 0.09 -1.77 -0.08 0.00 1.00 0.00 0.00 64.86 64.09 1sr2 h ILE 882 Cb 0.83 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1sr2 h ILE 882 CO 0.07 0.54 -0.23 -0.78 0.00 0.00 0.00 178.15 177.74 1sr2 h ASP 883 N 0.29 0.46 -0.81 1.72 3.58 -0.69 0.94 116.42 121.92 1sr2 h ASP 883 Ca 0.01 -0.53 -0.04 0.00 0.42 0.00 0.00 57.03 56.89 1sr2 h ASP 883 Cb 1.01 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 1sr2 h ASP 883 CO 0.09 0.90 0.35 0.77 -2.88 0.00 0.00 179.24 178.47 1sr2 h SER 884 N 0.04 1.09 0.73 2.28 4.64 -0.18 0.32 113.55 122.48 1sr2 h SER 884 Ca 0.01 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 1sr2 h SER 884 Cb 0.81 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1sr2 h SER 884 CO 0.05 0.95 -0.35 0.22 -0.87 0.00 0.00 176.83 176.83 1sr2 h TYR 885 N 1.17 -0.91 -0.64 4.77 3.20 -0.95 -2.17 116.97 121.45 1sr2 h TYR 885 Ca 0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1sr2 h TYR 885 Cb 0.17 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1sr2 h TYR 885 CO 0.02 -0.56 0.41 0.28 -1.64 0.00 0.00 178.16 176.67 1sr2 h VAL 886 N -1.02 1.17 -0.28 1.81 2.07 -0.75 -1.60 116.25 117.65 1sr2 h VAL 886 Ca -0.10 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1sr2 h VAL 886 Cb 0.76 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1sr2 h VAL 886 CO 0.16 0.17 0.14 0.11 0.02 0.00 0.00 177.57 178.17 1sr2 h LYS 887 N 0.87 0.29 0.00 1.57 1.57 -0.71 0.33 116.57 120.49 1sr2 h LYS 887 Ca 0.23 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1sr2 h LYS 887 Cb -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1sr2 h LYS 887 CO -0.05 0.19 -0.34 0.66 -0.57 0.00 0.00 179.45 179.34 1sr2 h SER 888 N 0.29 0.00 1.11 0.86 4.64 -0.73 -2.77 113.55 116.96 1sr2 h SER 888 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1sr2 h SER 888 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1sr2 h SER 888 CO -0.08 0.34 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.64 1sr2 h LEU 889 N 0.00 0.00 0.00 5.97 4.07 -0.60 -3.52 115.31 121.23 1sr2 h LEU 889 Ca -0.00 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1sr2 h LEU 889 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1sr2 h LEU 889 CO 0.04 0.06 0.00 0.18 -1.08 0.00 0.00 178.44 177.64