#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 -3.29 0.00 2.12 3.00 -1.26 -4.45 117.38 113.50 1sr2 n GLN 776 Ca 0.00 2.57 0.00 0.00 -0.01 0.00 0.00 57.00 59.56 1sr2 n GLN 776 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 30.24 27.12 1sr2 n GLN 776 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1sr2 n GLU 777 N 1.15 0.00 -2.75 -1.09 -0.58 -1.26 -4.47 120.64 111.65 1sr2 n GLU 777 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1sr2 n GLU 777 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sr2 n ALA 778 N 0.19 4.33 0.20 0.62 0.00 -1.26 -4.74 120.51 119.85 1sr2 n ALA 778 Ca 0.00 -4.26 0.07 0.00 0.00 0.00 0.00 53.44 49.25 1sr2 n ALA 778 Cb 0.00 -3.05 0.38 0.00 0.00 0.00 0.00 19.45 16.78 1sr2 n ALA 778 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1sr2 h VAL 779 N 4.38 0.79 -1.81 0.00 -1.51 -1.84 -3.20 116.25 113.07 1sr2 h VAL 779 Ca 0.35 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1sr2 h VAL 779 Cb 0.80 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1sr2 h VAL 779 CO 1.37 0.32 0.00 0.00 -1.23 0.00 0.00 177.57 178.03 1sr2 n LEU 780 N -3.51 0.00 0.00 4.19 -0.00 -1.26 -4.56 117.00 111.85 1sr2 n LEU 780 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.94 1sr2 n LEU 780 Cb 0.48 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.94 1sr2 n LEU 780 CO 0.36 0.00 0.18 0.00 -0.00 0.00 0.00 177.39 177.93 1sr2 n GLN 781 N 0.00 -0.08 0.40 1.47 1.13 -1.26 -4.97 117.38 114.07 1sr2 n GLN 781 Ca 0.00 -0.52 -0.19 0.00 -1.94 0.00 0.00 57.00 54.35 1sr2 n GLN 781 Cb 0.00 -0.27 -0.09 0.00 0.11 0.00 0.00 30.24 29.99 1sr2 n GLN 781 CO 0.00 0.00 0.00 1.37 -1.44 0.00 0.00 177.06 176.99 1sr2 h LEU 782 N 0.00 -1.12 0.00 1.08 -0.00 -2.01 -3.46 115.31 109.79 1sr2 h LEU 782 Ca -0.09 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1sr2 h LEU 782 Cb 0.28 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1sr2 h LEU 782 CO 0.07 -0.69 0.00 -0.38 -0.00 0.00 0.00 178.44 177.44 1sr2 n ILE 783 N -5.58 0.00 0.00 0.15 2.08 -1.26 -5.12 119.36 109.62 1sr2 n ILE 783 Ca -0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1sr2 n ILE 783 Cb 0.47 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 39.27 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 -0.75 0.00 -3.49 0.38 -0.58 -1.26 -5.10 120.64 109.84 1sr2 n GLU 784 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1sr2 n GLU 784 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1sr2 s VAL 785 N -0.44 -0.25 0.13 2.62 -7.23 -1.26 -5.00 120.40 108.96 1sr2 s VAL 785 Ca 0.00 -0.41 -0.26 0.00 -1.81 0.00 0.00 61.98 59.50 1sr2 s VAL 785 Cb 0.00 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1sr2 s VAL 785 CO 0.00 -0.44 1.63 1.56 -0.31 0.00 0.00 175.10 177.54 1sr2 h GLN 786 N 8.34 -0.39 -1.32 4.82 4.20 -2.03 -3.37 115.11 125.35 1sr2 h GLN 786 Ca -0.16 0.03 -0.42 0.00 0.06 0.00 0.00 58.65 58.15 1sr2 h GLN 786 Cb 1.09 0.09 -0.31 0.00 0.30 0.00 0.00 27.48 28.65 1sr2 h GLN 786 CO 0.34 -0.26 -0.93 -0.11 -0.67 0.00 0.00 178.83 177.21 1sr2 n LEU 787 N -5.39 -0.51 -2.74 1.46 7.94 -1.26 -4.96 117.00 111.54 1sr2 n LEU 787 Ca -0.04 -4.42 -0.09 0.00 -1.11 0.00 0.00 56.01 50.34 1sr2 n LEU 787 Cb 0.30 0.76 0.07 0.00 0.53 0.00 0.00 43.42 45.08 1sr2 n LEU 787 CO 0.20 2.15 0.29 0.00 -1.11 0.00 0.00 177.39 178.91 1sr2 n ALA 788 N 0.81 -0.99 -3.76 1.96 0.00 -1.26 -5.07 120.51 112.19 1sr2 n ALA 788 Ca 0.18 -1.45 -0.28 0.00 0.00 0.00 0.00 53.44 51.89 1sr2 n ALA 788 Cb 0.63 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 1sr2 n ALA 788 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sr2 s GLN 789 N 0.41 1.99 -0.86 0.00 -1.52 -1.26 -4.91 119.66 113.50 1sr2 s GLN 789 Ca 0.26 -2.93 -0.01 0.00 -1.95 0.00 0.00 55.36 50.72 1sr2 s GLN 789 Cb 0.27 -2.85 0.35 0.00 -0.22 0.00 0.00 33.01 30.55 1sr2 s GLN 789 CO -0.12 -1.30 1.86 0.39 -0.25 0.00 0.00 175.29 175.87 1sr2 n GLU 790 N 2.32 3.61 -2.11 2.91 -0.58 -1.26 -4.95 120.64 120.58 1sr2 n GLU 790 Ca 0.21 -3.99 -0.29 0.00 -0.42 0.00 0.00 57.16 52.67 1sr2 n GLU 790 Cb 0.38 -2.33 -0.05 0.00 -0.57 0.00 0.00 31.44 28.87 1sr2 n GLU 790 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1sr2 s GLU 791 N -4.09 2.66 -0.14 3.49 2.56 -1.26 -4.85 118.70 117.06 1sr2 s GLU 791 Ca 0.48 -0.82 -0.04 0.00 0.00 0.00 0.00 54.97 54.58 1sr2 s GLU 791 Cb 0.36 -5.19 0.06 0.00 2.00 0.00 0.00 34.13 31.36 1sr2 s GLU 791 CO -0.31 -3.54 0.12 0.54 -0.56 0.00 0.00 175.26 171.51 1sr2 s VAL 792 N 9.94 -0.15 -0.25 3.70 0.11 -1.26 -5.13 120.40 127.37 1sr2 s VAL 792 Ca 0.67 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.65 1sr2 s VAL 792 Cb -0.03 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1sr2 s VAL 792 CO 0.06 -0.14 0.08 0.28 -3.33 0.00 0.00 175.10 172.04 1sr2 s THR 793 N 2.19 4.41 0.00 5.04 -1.32 -1.26 -5.09 115.64 119.62 1sr2 s THR 793 Ca 0.03 -0.14 -0.07 0.00 -1.21 0.00 0.00 61.69 60.30 1sr2 s THR 793 Cb -0.15 -3.06 -0.05 0.00 -1.51 0.00 0.00 72.50 67.73 1sr2 s THR 793 CO -0.08 0.34 0.28 -0.70 -2.21 0.00 0.00 174.62 172.25 1sr2 s GLU 794 N 1.53 3.61 -0.50 7.08 2.56 -1.26 -5.04 118.70 126.68 1sr2 s GLU 794 Ca 0.06 -0.02 0.06 0.00 0.00 0.00 0.00 54.97 55.06 1sr2 s GLU 794 Cb -0.15 -3.09 0.21 0.00 2.00 0.00 0.00 34.13 33.10 1sr2 s GLU 794 CO 0.04 0.65 0.81 0.43 -0.56 0.00 0.00 175.26 176.63 1sr2 n SER 795 N 1.21 -3.13 -4.92 -1.70 7.64 -1.26 -5.16 113.62 106.30 1sr2 n SER 795 Ca -0.12 -2.87 -0.26 0.00 1.01 0.00 0.00 58.87 56.63 1sr2 n SER 795 Cb 0.53 1.69 0.01 0.00 -1.01 0.00 0.00 64.21 65.42 1sr2 n SER 795 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sr2 s PRO 796 N 0.81 3.36 -0.22 1.43 0.04 -1.26 -5.09 135.00 134.07 1sr2 s PRO 796 Ca 0.30 0.02 -0.01 0.00 0.04 0.00 0.00 61.00 61.35 1sr2 s PRO 796 Cb 0.08 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.27 1sr2 s PRO 796 CO -0.11 -0.27 -0.01 -0.51 0.04 0.00 0.00 177.00 176.14 1sr2 s LEU 797 N -4.72 2.04 0.00 -3.56 1.43 -1.26 -4.93 118.68 107.67 1sr2 s LEU 797 Ca 0.48 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1sr2 s LEU 797 Cb -0.10 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1sr2 s LEU 797 CO 0.43 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1sr2 n GLY 798 N 4.82 0.00 0.00 -3.19 0.00 -1.26 -5.11 105.19 100.45 1sr2 n GLY 798 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 2.37 1.68 3.17 -0.02 0.00 -1.26 -5.08 105.19 106.04 1sr2 n GLY 799 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1sr2 n GLY 799 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sr2 n ASP 800 N 0.00 -7.02 0.24 1.61 -0.08 -1.26 -4.85 116.55 105.19 1sr2 n ASP 800 Ca 0.00 0.03 0.07 0.00 -1.51 0.00 0.00 54.79 53.38 1sr2 n ASP 800 Cb 0.00 -4.14 0.56 0.00 2.34 0.00 0.00 41.12 39.88 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 1.28 0.00 -0.62 -0.67 3.07 -1.98 -2.30 114.58 113.36 1sr2 h GLU 801 Ca -0.20 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.63 1sr2 h GLU 801 Cb 1.14 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 1sr2 h GLU 801 CO 0.26 0.15 0.26 -0.97 -1.40 0.00 0.00 179.01 177.31 1sr2 h ASN 802 N 0.00 0.84 -0.14 1.42 -1.24 -1.92 -0.70 115.58 113.83 1sr2 h ASN 802 Ca -0.00 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 56.89 1sr2 h ASN 802 Cb 0.27 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 1sr2 h ASN 802 CO 0.02 0.77 -0.13 0.00 -1.29 0.00 0.00 177.43 176.80 1sr2 h ALA 803 N 1.10 -0.03 -0.52 1.57 0.00 -1.75 0.24 119.26 119.87 1sr2 h ALA 803 Ca 0.21 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1sr2 h ALA 803 Cb 0.18 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1sr2 h ALA 803 CO -0.02 -0.58 0.13 -0.56 0.00 0.00 0.00 179.25 178.23 1sr2 h GLN 804 N -0.15 0.82 -0.15 0.00 -0.00 -1.43 -0.17 115.11 114.04 1sr2 h GLN 804 Ca 0.09 -0.19 -0.21 0.00 -0.00 0.00 0.00 58.65 58.34 1sr2 h GLN 804 Cb 0.29 -0.11 0.01 0.00 -0.00 0.00 0.00 27.48 27.66 1sr2 h GLN 804 CO -0.23 0.78 -0.75 1.37 -0.00 0.00 0.00 178.83 180.00 1sr2 h LEU 805 N 0.72 0.83 0.00 0.06 8.10 -0.86 -1.95 115.31 122.21 1sr2 h LEU 805 Ca 0.16 -0.54 0.00 0.00 0.11 0.00 0.00 57.88 57.62 1sr2 h LEU 805 Cb 0.32 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1sr2 h LEU 805 CO 0.00 1.32 -0.20 0.00 -4.11 0.00 0.00 178.44 175.45 1sr2 n HIS 806 N -3.92 0.76 0.12 0.17 1.44 0.80 -1.74 115.22 112.85 1sr2 n HIS 806 Ca -0.06 0.22 -0.21 0.00 -2.01 0.00 0.00 57.72 55.66 1sr2 n HIS 806 Cb 0.73 -0.82 -0.15 0.00 0.12 0.00 0.00 29.99 29.87 1sr2 n HIS 806 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sr2 h ALA 807 N 2.55 0.00 0.00 1.59 0.00 -0.90 -3.27 119.26 119.23 1sr2 h ALA 807 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 1sr2 h ALA 807 Cb 0.72 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1sr2 h ALA 807 CO 0.00 0.87 -0.30 0.66 0.00 0.00 0.00 179.25 180.48 1sr2 h SER 808 N 0.11 0.00 0.00 0.00 4.64 -1.32 -3.47 113.55 113.51 1sr2 h SER 808 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1sr2 h SER 808 Cb 2.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 1sr2 h SER 808 CO 0.23 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1sr2 n GLY 809 N -0.05 1.05 0.53 -0.77 0.00 -1.02 -4.97 105.19 99.96 1sr2 n GLY 809 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.41 0.35 0.24 1.61 4.01 -0.71 -3.74 117.16 117.50 1sr2 n TYR 810 Ca 0.00 -0.17 0.07 0.00 -0.16 0.00 0.00 57.90 57.64 1sr2 n TYR 810 Cb 0.00 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 39.60 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 1.79 0.00 -0.56 -0.72 3.20 -1.84 -2.06 116.97 116.78 1sr2 h TYR 811 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1sr2 h TYR 811 Cb 0.41 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1sr2 h TYR 811 CO 0.17 0.15 0.37 0.00 -1.64 0.00 0.00 178.16 177.21 1sr2 h ALA 812 N 1.85 0.71 -0.28 1.82 0.00 -1.92 -1.17 119.26 120.27 1sr2 h ALA 812 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1sr2 h ALA 812 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sr2 h ALA 812 CO 0.02 0.15 -0.28 -0.07 0.00 0.00 0.00 179.25 179.06 1sr2 h LEU 813 N 0.76 0.58 -1.19 0.00 3.38 -1.68 -1.74 115.31 115.42 1sr2 h LEU 813 Ca 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sr2 h LEU 813 Cb -0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1sr2 h LEU 813 CO -0.05 0.84 0.42 0.15 0.09 0.00 0.00 178.44 179.89 1sr2 h PHE 814 N 0.49 0.94 -0.64 1.13 3.57 -0.79 -1.61 116.94 120.04 1sr2 h PHE 814 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1sr2 h PHE 814 Cb 0.74 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1sr2 h PHE 814 CO 0.03 0.64 0.00 1.33 -2.23 0.00 0.00 178.31 178.08 1sr2 n VAL 815 N -4.38 2.00 0.00 1.41 0.24 -0.50 -4.07 118.33 113.02 1sr2 n VAL 815 Ca 0.07 -1.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 1sr2 n VAL 815 Cb 0.08 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 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 1.04 0.00 0.09 -1.34 2.03 -0.62 -4.86 116.55 112.88 1sr2 n ASP 816 Ca 0.26 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.69 1sr2 n ASP 816 Cb 0.95 -0.01 0.03 0.00 -0.72 0.00 0.00 41.12 41.37 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 -1.37 0.54 0.19 5.18 5.66 -1.10 -4.28 114.28 119.10 1sr2 n THR 817 Ca 0.00 -0.47 -0.15 0.00 -3.05 0.00 0.00 64.05 60.38 1sr2 n THR 817 Cb 0.00 -0.26 -0.08 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.00 0.67 -0.97 1.08 2.07 -1.71 0.17 116.25 117.57 1sr2 h VAL 818 Ca 0.00 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1sr2 h VAL 818 Cb 0.93 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1sr2 h VAL 818 CO 0.00 0.06 0.63 -0.65 0.02 0.00 0.00 177.57 177.63 1sr2 h PRO 819 N -0.61 1.09 -0.36 1.57 0.11 -1.76 -1.54 132.00 130.50 1sr2 h PRO 819 Ca -0.05 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.85 1sr2 h PRO 819 Cb 0.45 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1sr2 h PRO 819 CO 0.08 0.72 -0.37 0.22 -0.21 0.00 0.00 178.00 178.44 1sr2 h ASP 820 N 1.12 0.94 -0.66 -2.05 1.82 -1.69 -1.97 116.42 113.94 1sr2 h ASP 820 Ca 0.42 -0.47 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 1sr2 h ASP 820 Cb 0.20 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1sr2 h ASP 820 CO -0.17 1.22 0.27 0.44 -1.61 0.00 0.00 179.24 179.39 1sr2 h ASP 821 N 0.68 0.92 -0.57 2.28 5.19 -0.17 0.50 116.42 125.27 1sr2 h ASP 821 Ca 0.06 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1sr2 h ASP 821 Cb 0.96 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 1sr2 h ASP 821 CO 0.09 0.82 0.28 0.58 -3.12 0.00 0.00 179.24 177.89 1sr2 h VAL 822 N 0.99 1.20 -0.33 -1.35 2.07 -1.16 -0.90 116.25 116.77 1sr2 h VAL 822 Ca 0.23 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1sr2 h VAL 822 Cb 0.19 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1sr2 h VAL 822 CO -0.02 0.23 -0.10 0.50 0.02 0.00 0.00 177.57 178.19 1sr2 h LYS 823 N 0.77 0.56 -0.35 1.57 3.64 -0.53 -1.97 116.57 120.25 1sr2 h LYS 823 Ca 0.20 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1sr2 h LYS 823 Cb 0.10 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1sr2 h LYS 823 CO -0.03 0.66 0.12 0.00 -2.27 0.00 0.00 179.45 177.94 1sr2 h ARG 824 N 0.52 0.26 -0.35 1.90 2.47 0.56 0.18 114.38 119.92 1sr2 h ARG 824 Ca 0.10 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.87 1sr2 h ARG 824 Cb 0.49 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.69 1sr2 h ARG 824 CO 0.03 0.17 -0.06 -0.07 0.56 0.00 0.00 179.97 180.60 1sr2 h LEU 825 N 0.27 -0.27 -0.41 3.04 3.38 -0.65 0.15 115.31 120.82 1sr2 h LEU 825 Ca 0.16 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1sr2 h LEU 825 Cb 0.14 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1sr2 h LEU 825 CO -0.17 -0.09 0.12 1.88 0.09 0.00 0.00 178.44 180.27 1sr2 h TYR 826 N 0.03 0.20 -0.40 1.13 0.05 -0.76 0.51 116.97 117.72 1sr2 h TYR 826 Ca 0.17 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.89 1sr2 h TYR 826 Cb 0.25 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1sr2 h TYR 826 CO -0.30 0.06 -0.07 1.15 -1.05 0.00 0.00 178.16 177.95 1sr2 h THR 827 N 0.26 1.27 0.00 -2.88 2.02 0.41 -1.77 112.91 112.23 1sr2 h THR 827 Ca 0.20 -1.15 -0.19 0.00 0.77 0.00 0.00 66.41 66.03 1sr2 h THR 827 Cb 0.21 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1sr2 h THR 827 CO -0.22 0.39 -0.93 -0.33 0.37 0.00 0.00 175.52 174.79 1sr2 h GLU 828 N 0.57 0.00 -0.24 6.66 4.39 -0.67 -3.13 114.58 122.16 1sr2 h GLU 828 Ca 0.10 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 1sr2 h GLU 828 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1sr2 h GLU 828 CO 0.04 0.93 -0.09 0.00 -1.16 0.00 0.00 179.01 178.72 1sr2 h ALA 829 N 1.07 1.40 -0.66 3.43 0.00 -0.71 0.13 119.26 123.93 1sr2 h ALA 829 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1sr2 h ALA 829 Cb 1.67 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1sr2 h ALA 829 CO 0.12 0.41 0.40 0.00 0.00 0.00 0.00 179.25 180.18 1sr2 h ALA 830 N 1.55 0.86 -0.35 0.00 0.00 -1.26 -1.58 119.26 118.48 1sr2 h ALA 830 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sr2 h ALA 830 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sr2 h ALA 830 CO 0.02 0.13 0.00 2.41 0.00 0.00 0.00 179.25 181.82 1sr2 n THR 831 N -4.72 0.46 -3.19 0.00 -1.04 -0.95 -4.91 114.28 99.93 1sr2 n THR 831 Ca 0.07 -0.49 -0.23 0.00 -2.04 0.00 0.00 64.05 61.36 1sr2 n THR 831 Cb 0.10 0.29 0.04 0.00 -1.82 0.00 0.00 70.33 68.95 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sr2 n SER 832 N 0.59 -5.96 -3.95 8.00 7.64 -0.57 -4.88 113.62 114.49 1sr2 n SER 832 Ca 0.14 -0.36 -0.43 0.00 1.01 0.00 0.00 58.87 59.23 1sr2 n SER 832 Cb 0.33 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.74 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 -2.61 4.75 0.26 6.43 -0.08 0.34 -4.74 116.55 120.90 1sr2 n ASP 833 Ca -0.08 -3.01 0.11 0.00 -1.51 0.00 0.00 54.79 50.31 1sr2 n ASP 833 Cb 0.60 -1.56 0.71 0.00 2.34 0.00 0.00 41.12 43.21 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 6.10 0.00 -0.59 -0.67 0.04 -1.90 -0.15 116.94 119.78 1sr2 h PHE 834 Ca 0.44 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.18 1sr2 h PHE 834 Cb 0.68 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.80 1sr2 h PHE 834 CO 1.30 0.11 0.25 0.00 -0.60 0.00 0.00 178.31 179.37 1sr2 h ALA 835 N 1.89 0.77 -0.06 2.45 0.00 -1.96 0.02 119.26 122.38 1sr2 h ALA 835 Ca -0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1sr2 h ALA 835 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sr2 h ALA 835 CO 0.01 0.37 -0.79 0.00 0.00 0.00 0.00 179.25 178.84 1sr2 h ALA 836 N 1.09 0.52 -0.73 0.00 0.00 -1.63 -2.27 119.26 116.24 1sr2 h ALA 836 Ca 0.20 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1sr2 h ALA 836 Cb 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1sr2 h ALA 836 CO -0.02 0.78 0.46 -0.07 0.00 0.00 0.00 179.25 180.40 1sr2 h LEU 837 N 0.27 0.75 -0.43 0.00 4.07 -0.86 0.16 115.31 119.26 1sr2 h LEU 837 Ca -0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1sr2 h LEU 837 Cb 1.39 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 1sr2 h LEU 837 CO 0.14 0.52 0.26 0.00 -1.08 0.00 0.00 178.44 178.27 1sr2 h ALA 838 N 1.31 0.55 -0.58 1.53 0.00 -0.78 0.22 119.26 121.51 1sr2 h ALA 838 Ca 0.29 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1sr2 h ALA 838 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1sr2 h ALA 838 CO -0.11 0.05 0.38 1.96 0.00 0.00 0.00 179.25 181.53 1sr2 h GLN 839 N 0.57 0.74 -0.50 0.00 1.08 -0.80 -1.14 115.11 115.06 1sr2 h GLN 839 Ca 0.16 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.22 1sr2 h GLN 839 Cb 0.01 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1sr2 h GLN 839 CO -0.03 0.49 -0.03 1.15 -0.95 0.00 0.00 178.83 179.47 1sr2 h THR 840 N 0.77 1.27 -0.10 -0.54 2.02 -0.32 -1.41 112.91 114.59 1sr2 h THR 840 Ca 0.22 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1sr2 h THR 840 Cb -0.07 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1sr2 h THR 840 CO -0.06 0.40 -0.08 0.00 0.37 0.00 0.00 175.52 176.15 1sr2 h ALA 841 N 0.93 1.68 -0.37 6.16 0.00 -0.35 -0.54 119.26 126.77 1sr2 h ALA 841 Ca 0.14 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1sr2 h ALA 841 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1sr2 h ALA 841 CO 0.03 0.24 -0.33 0.45 0.00 0.00 0.00 179.25 179.64 1sr2 h HIS 842 N 0.15 1.05 0.02 0.00 -0.00 -0.73 -1.79 115.15 113.85 1sr2 h HIS 842 Ca 0.03 -0.31 0.01 0.00 -0.00 0.00 0.00 60.37 60.11 1sr2 h HIS 842 Cb 0.24 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 1sr2 h HIS 842 CO 0.00 1.11 -0.09 0.00 -0.00 0.00 0.00 177.93 178.95 1sr2 h ARG 843 N 0.69 -0.17 -0.18 2.45 3.08 -0.34 -1.78 114.38 118.14 1sr2 h ARG 843 Ca 0.06 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1sr2 h ARG 843 Cb 0.92 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1sr2 h ARG 843 CO 0.08 -0.11 0.09 -0.07 -1.07 0.00 0.00 179.97 178.90 1sr2 h LEU 844 N -0.17 0.24 -1.42 3.04 3.38 -1.10 0.12 115.31 119.39 1sr2 h LEU 844 Ca 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sr2 h LEU 844 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1sr2 h LEU 844 CO -0.08 0.28 0.18 0.07 0.09 0.00 0.00 178.44 178.98 1sr2 h LYS 845 N 0.17 0.57 -0.03 1.13 2.10 -1.29 0.46 116.57 119.69 1sr2 h LYS 845 Ca 0.06 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1sr2 h LYS 845 Cb 0.10 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1sr2 h LYS 845 CO -0.01 0.46 -0.05 0.78 -2.00 0.00 0.00 179.45 178.63 1sr2 h GLY 846 N 0.70 0.09 1.67 0.07 0.00 -0.73 -2.01 103.07 102.87 1sr2 h GLY 846 Ca 0.14 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1sr2 h GLY 846 CO -0.02 0.10 -0.23 -0.39 0.00 0.00 0.00 176.54 176.00 1sr2 h VAL 847 N -0.42 1.25 -0.31 4.60 -1.51 -0.50 0.10 116.25 119.46 1sr2 h VAL 847 Ca 0.00 -1.17 -0.08 0.00 -1.23 0.00 0.00 66.70 64.22 1sr2 h VAL 847 Cb 0.59 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1sr2 h VAL 847 CO 0.01 0.37 -0.14 -0.26 -1.23 0.00 0.00 177.57 176.32 1sr2 h PHE 848 N 0.35 0.74 -0.39 5.19 -1.00 -0.95 0.16 116.94 121.03 1sr2 h PHE 848 Ca 0.06 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.63 1sr2 h PHE 848 Cb 0.60 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1sr2 h PHE 848 CO 0.02 0.86 0.12 0.00 -1.61 0.00 0.00 178.31 177.70 1sr2 h ALA 849 N 0.77 1.49 -0.40 2.45 0.00 -1.01 0.31 119.26 122.87 1sr2 h ALA 849 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1sr2 h ALA 849 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1sr2 h ALA 849 CO 0.04 0.39 0.09 1.98 0.00 0.00 0.00 179.25 181.75 1sr2 h MET 850 N 0.56 0.64 0.00 0.00 -1.53 -0.38 -2.10 114.93 112.11 1sr2 h MET 850 Ca 0.13 -0.16 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1sr2 h MET 850 Cb 0.17 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1sr2 h MET 850 CO -0.01 0.67 0.00 1.28 0.14 0.00 0.00 176.91 178.99 1sr2 n LEU 851 N -4.56 0.54 0.00 3.39 4.77 0.01 -4.89 117.00 116.26 1sr2 n LEU 851 Ca -0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1sr2 n LEU 851 Cb 0.21 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1sr2 n LEU 851 CO 0.38 -0.32 0.00 0.59 -1.33 0.00 0.00 177.39 176.72 1sr2 n ASN 852 N -2.05 -1.24 -4.48 -1.43 5.03 0.22 -4.53 115.26 106.79 1sr2 n ASN 852 Ca 0.04 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.05 1sr2 n ASN 852 Cb 0.30 -0.48 -0.01 0.00 -1.02 0.00 0.00 39.78 38.58 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sr2 s LEU 853 N 0.00 4.80 0.11 3.41 1.43 0.84 -4.89 118.68 124.38 1sr2 s LEU 853 Ca 0.00 -2.66 -0.31 0.00 -1.03 0.00 0.00 54.13 50.13 1sr2 s LEU 853 Cb 0.00 -2.43 -0.11 0.00 0.03 0.00 0.00 46.19 43.67 1sr2 s LEU 853 CO 0.00 -0.90 1.60 0.58 0.23 0.00 0.00 176.35 177.85 1sr2 h VAL 854 N 5.12 0.20 -0.55 -1.59 2.07 -1.94 0.82 116.25 120.37 1sr2 h VAL 854 Ca 0.30 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.85 1sr2 h VAL 854 Cb 0.91 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1sr2 h VAL 854 CO 1.26 0.00 0.37 1.55 0.02 0.00 0.00 177.57 180.76 1sr2 h PRO 855 N -0.69 0.63 -0.36 1.57 0.13 -1.98 -0.42 132.00 130.88 1sr2 h PRO 855 Ca 0.00 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 1sr2 h PRO 855 Cb 0.68 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1sr2 h PRO 855 CO -0.17 0.42 -0.01 0.78 -0.23 0.00 0.00 178.00 178.79 1sr2 h GLY 856 N 0.65 0.70 1.05 1.56 0.00 -1.81 -1.68 103.07 103.54 1sr2 h GLY 856 Ca 0.22 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1sr2 h GLY 856 CO -0.06 0.48 0.30 1.70 0.00 0.00 0.00 176.54 178.96 1sr2 h LYS 857 N 0.46 1.17 -0.64 4.80 3.64 -0.21 -1.62 116.57 124.18 1sr2 h LYS 857 Ca 0.10 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1sr2 h LYS 857 Cb 0.48 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1sr2 h LYS 857 CO 0.02 0.96 0.33 0.37 -2.27 0.00 0.00 179.45 178.86 1sr2 h GLN 858 N 1.14 0.59 -0.79 1.90 5.75 -0.89 0.15 115.11 122.96 1sr2 h GLN 858 Ca 0.26 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1sr2 h GLN 858 Cb 0.23 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1sr2 h GLN 858 CO -0.02 0.39 0.44 -0.07 -2.65 0.00 0.00 178.83 176.92 1sr2 h LEU 859 N 0.61 0.98 -1.16 -2.39 3.38 -0.87 -2.04 115.31 113.82 1sr2 h LEU 859 Ca 0.29 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1sr2 h LEU 859 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1sr2 h LEU 859 CO -0.20 0.79 -0.34 0.00 0.09 0.00 0.00 178.44 178.77 1sr2 h GLU 861 N 0.12 0.38 -0.42 0.00 4.39 -0.18 0.96 114.58 119.83 1sr2 h GLU 861 Ca 0.01 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 1sr2 h GLU 861 Cb 0.67 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1sr2 h GLU 861 CO 0.05 0.58 -0.08 1.15 -1.16 0.00 0.00 179.01 179.55 1sr2 h THR 862 N 0.14 1.25 -0.33 1.13 2.02 -1.17 -1.00 112.91 114.94 1sr2 h THR 862 Ca 0.06 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1sr2 h THR 862 Cb 0.40 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1sr2 h THR 862 CO 0.01 0.37 0.21 0.25 0.37 0.00 0.00 175.52 176.74 1sr2 h LEU 863 N 0.66 0.37 -0.68 2.58 6.46 -0.80 0.11 115.31 124.00 1sr2 h LEU 863 Ca 0.12 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1sr2 h LEU 863 Cb 0.52 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 1sr2 h LEU 863 CO 0.03 0.27 0.37 -0.08 -0.62 0.00 0.00 178.44 178.41 1sr2 h GLU 864 N 0.44 0.66 -0.92 1.25 4.81 -0.38 0.26 114.58 120.69 1sr2 h GLU 864 Ca 0.12 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1sr2 h GLU 864 Cb -0.04 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 1sr2 h GLU 864 CO -0.03 0.43 0.61 1.25 -0.73 0.00 0.00 179.01 180.54 1sr2 h HIS 865 N 0.67 1.14 -0.24 0.92 2.76 -0.60 0.26 115.15 120.07 1sr2 h HIS 865 Ca 0.31 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.34 1sr2 h HIS 865 Cb 0.22 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 1sr2 h HIS 865 CO -0.08 0.70 -0.53 -0.07 -1.30 0.00 0.00 177.93 176.65 1sr2 h LEU 866 N 1.22 0.78 -0.34 0.26 3.38 0.55 -0.40 115.31 120.76 1sr2 h LEU 866 Ca 0.35 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1sr2 h LEU 866 Cb -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1sr2 h LEU 866 CO -0.09 1.16 0.08 0.40 0.09 0.00 0.00 178.44 180.08 1sr2 h ILE 867 N 0.54 1.22 -0.17 1.22 1.08 -0.15 0.74 117.51 122.00 1sr2 h ILE 867 Ca 0.02 -0.75 -0.06 0.00 -0.39 0.00 0.00 64.86 63.68 1sr2 h ILE 867 Cb 1.10 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 1sr2 h ILE 867 CO 0.11 0.25 -0.16 0.08 -0.69 0.00 0.00 178.15 177.74 1sr2 h ARG 868 N 0.40 0.27 -0.02 2.37 -0.00 -0.35 -2.19 114.38 114.86 1sr2 h ARG 868 Ca 0.11 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 60.02 1sr2 h ARG 868 Cb 0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.24 1sr2 h ARG 868 CO 0.00 0.44 -0.21 0.39 -0.00 0.00 0.00 179.97 180.59 1sr2 n GLU 869 N -4.23 1.49 -3.43 0.08 -0.58 -0.17 -4.97 120.64 108.83 1sr2 n GLU 869 Ca -0.01 -1.11 -0.20 0.00 -0.42 0.00 0.00 57.16 55.43 1sr2 n GLU 869 Cb 0.30 -1.48 0.07 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.21 -6.80 -3.10 3.49 4.76 0.08 -4.94 118.16 111.85 1sr2 n LYS 870 Ca 0.13 0.71 -0.45 0.00 -2.87 0.00 0.00 58.31 55.83 1sr2 n LYS 870 Cb 0.45 -5.40 -0.02 0.00 -1.84 0.00 0.00 35.03 28.22 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sr2 s ASP 871 N -3.32 6.76 0.16 4.39 2.15 -0.23 -4.93 116.67 121.66 1sr2 s ASP 871 Ca 0.48 -2.47 -0.21 0.00 0.43 0.00 0.00 52.55 50.79 1sr2 s ASP 871 Cb -0.21 -2.32 0.07 0.00 -0.30 0.00 0.00 42.92 40.16 1sr2 s ASP 871 CO 0.63 -0.81 1.63 0.58 -0.17 0.00 0.00 175.17 177.03 1sr2 h VAL 872 N 5.20 0.40 -0.61 1.11 2.07 -1.92 0.19 116.25 122.68 1sr2 h VAL 872 Ca 0.16 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1sr2 h VAL 872 Cb 1.01 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1sr2 h VAL 872 CO 0.98 0.00 0.24 1.55 0.02 0.00 0.00 177.57 180.37 1sr2 h PRO 873 N -0.18 0.43 -0.43 1.57 0.13 -1.99 -0.95 132.00 130.59 1sr2 h PRO 873 Ca 0.17 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1sr2 h PRO 873 Cb 0.44 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1sr2 h PRO 873 CO -0.45 0.28 -0.24 0.78 -0.23 0.00 0.00 178.00 178.14 1sr2 h GLY 874 N 0.44 0.96 0.65 1.56 0.00 -1.79 -1.76 103.07 103.13 1sr2 h GLY 874 Ca 0.30 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1sr2 h GLY 874 CO -0.29 0.78 -0.49 -2.22 0.00 0.00 0.00 176.54 174.32 1sr2 h ILE 875 N 0.76 0.04 -0.48 2.60 2.04 0.15 0.27 117.51 122.89 1sr2 h ILE 875 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1sr2 h ILE 875 Cb 0.79 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1sr2 h ILE 875 CO 0.07 0.00 0.08 1.05 0.00 0.00 0.00 178.15 179.35 1sr2 h GLU 876 N -1.07 0.75 -0.10 2.37 -0.00 -1.24 0.24 114.58 115.53 1sr2 h GLU 876 Ca -0.08 -0.16 -0.00 0.00 -0.00 0.00 0.00 59.36 59.12 1sr2 h GLU 876 Cb 0.90 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.53 1sr2 h GLU 876 CO 0.01 0.71 0.05 -0.22 -0.00 0.00 0.00 179.01 179.56 1sr2 h LYS 877 N 0.72 0.14 -0.03 1.06 1.63 -1.14 -1.29 116.57 117.66 1sr2 h LYS 877 Ca 0.16 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.78 1sr2 h LYS 877 Cb 0.32 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1sr2 h LYS 877 CO 0.00 0.17 -0.70 1.88 -3.45 0.00 0.00 179.45 177.35 1sr2 h TYR 878 N 0.07 0.19 -0.52 1.91 -1.99 -0.61 -0.18 116.97 115.83 1sr2 h TYR 878 Ca 0.03 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.69 1sr2 h TYR 878 Cb 0.07 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1sr2 h TYR 878 CO -0.05 0.79 0.34 0.82 -0.00 0.00 0.00 178.16 180.06 1sr2 h ILE 879 N 0.10 1.12 0.00 -2.88 2.04 -0.83 0.23 117.51 117.29 1sr2 h ILE 879 Ca -0.02 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1sr2 h ILE 879 Cb 1.24 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1sr2 h ILE 879 CO 0.10 0.13 -0.33 0.28 0.00 0.00 0.00 178.15 178.33 1sr2 h SER 880 N 0.69 0.00 -0.01 1.72 0.02 -0.89 -0.49 113.55 114.59 1sr2 h SER 880 Ca 0.20 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 1sr2 h SER 880 Cb -0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1sr2 h SER 880 CO -0.05 0.33 -0.44 0.44 -1.14 0.00 0.00 176.83 175.97 1sr2 h ASP 881 N 0.00 0.59 0.26 3.07 5.19 -0.21 0.25 116.42 125.57 1sr2 h ASP 881 Ca -0.00 -0.27 -0.13 0.00 -0.62 0.00 0.00 57.03 56.00 1sr2 h ASP 881 Cb 0.62 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1sr2 h ASP 881 CO 0.04 0.95 -0.52 0.40 -3.12 0.00 0.00 179.24 176.99 1sr2 h ILE 882 N 0.44 1.35 -0.32 0.35 2.04 -0.53 -0.62 117.51 120.22 1sr2 h ILE 882 Ca 0.03 -1.78 -0.15 0.00 1.00 0.00 0.00 64.86 63.97 1sr2 h ILE 882 Cb 0.95 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1sr2 h ILE 882 CO 0.08 0.53 -0.37 -0.78 0.00 0.00 0.00 178.15 177.62 1sr2 h ASP 883 N 0.22 0.88 0.48 1.72 3.58 -0.61 -0.55 116.42 122.14 1sr2 h ASP 883 Ca 0.01 -0.48 -0.11 0.00 0.42 0.00 0.00 57.03 56.87 1sr2 h ASP 883 Cb 0.99 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1sr2 h ASP 883 CO 0.08 1.18 -0.50 0.77 -2.88 0.00 0.00 179.24 177.90 1sr2 h SER 884 N 0.59 0.02 0.60 2.28 4.64 -0.49 -0.56 113.55 120.62 1sr2 h SER 884 Ca 0.04 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1sr2 h SER 884 Cb 0.96 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1sr2 h SER 884 CO 0.09 0.52 -0.29 0.22 -0.87 0.00 0.00 176.83 176.50 1sr2 h TYR 885 N 0.02 -0.75 -0.25 4.77 3.20 -0.59 -1.72 116.97 121.65 1sr2 h TYR 885 Ca -0.00 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1sr2 h TYR 885 Cb 0.88 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1sr2 h TYR 885 CO 0.00 -0.42 0.01 -0.24 -1.64 0.00 0.00 178.16 175.87 1sr2 h VAL 886 N -0.99 1.15 -0.22 1.81 3.04 -1.09 0.39 116.25 120.35 1sr2 h VAL 886 Ca -0.08 -0.58 0.04 0.00 -1.01 0.00 0.00 66.70 65.06 1sr2 h VAL 886 Cb 0.67 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 1sr2 h VAL 886 CO 0.14 0.20 0.01 0.11 -1.01 0.00 0.00 177.57 177.02 1sr2 h LYS 887 N 0.36 0.09 0.00 4.17 1.57 -0.96 -0.71 116.57 121.09 1sr2 h LYS 887 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1sr2 h LYS 887 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1sr2 h LYS 887 CO 0.00 0.06 -0.32 0.77 -0.57 0.00 0.00 179.45 179.39 1sr2 h SER 888 N 0.09 0.00 0.28 0.86 0.02 -0.73 -3.29 113.55 110.79 1sr2 h SER 888 Ca 0.10 -0.08 -0.34 0.00 -0.84 0.00 0.00 61.79 60.64 1sr2 h SER 888 Cb 0.12 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.69 1sr2 h SER 888 CO -0.17 0.04 -1.54 -0.07 -1.14 0.00 0.00 176.83 173.95 1sr2 h LEU 889 N 0.00 0.73 0.00 5.07 3.38 -0.60 -3.51 115.31 120.38 1sr2 h LEU 889 Ca 0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1sr2 h LEU 889 Cb 0.80 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1sr2 h LEU 889 CO 0.00 1.69 0.00 0.18 0.09 0.00 0.00 178.44 180.40