#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 3.58 -0.34 3.17 -0.06 -1.26 -4.38 117.38 118.10 1sr2 n GLN 776 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.11 1sr2 n GLN 776 Cb 0.00 -1.01 0.29 0.00 -4.06 0.00 0.00 30.24 25.46 1sr2 n GLN 776 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1sr2 n GLU 777 N -2.06 2.74 0.05 3.69 0.28 -1.26 -4.72 120.64 119.36 1sr2 n GLU 777 Ca -0.01 -2.56 0.00 0.00 -0.16 0.00 0.00 57.16 54.43 1sr2 n GLU 777 Cb 0.52 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sr2 n ALA 778 N 1.47 1.89 -0.95 -1.84 0.00 -1.26 -5.08 120.51 114.74 1sr2 n ALA 778 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sr2 n ALA 778 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.76 0.00 0.01 0.00 0.31 -1.26 -4.43 118.33 110.20 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 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1sr2 n VAL 779 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sr2 n LEU 780 N 0.00 -0.12 -3.84 7.52 -0.00 -1.26 -5.09 117.00 114.21 1sr2 n LEU 780 Ca 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 56.01 55.99 1sr2 n LEU 780 Cb 0.00 0.57 0.01 0.00 -0.00 0.00 0.00 43.42 44.00 1sr2 n LEU 780 CO 0.00 -0.44 0.71 -1.10 -0.00 0.00 0.00 177.39 176.55 1sr2 s GLN 781 N -1.03 1.54 0.00 1.47 -1.52 -1.26 -5.11 119.66 113.76 1sr2 s GLN 781 Ca 0.00 -0.96 0.00 0.00 -1.95 0.00 0.00 55.36 52.45 1sr2 s GLN 781 Cb 0.00 0.45 0.00 0.00 -0.22 0.00 0.00 33.01 33.24 1sr2 s GLN 781 CO 0.00 -0.72 0.00 -0.11 -0.25 0.00 0.00 175.29 174.21 1sr2 n LEU 782 N -0.60 0.00 -1.50 2.90 7.94 -1.26 -4.93 117.00 119.55 1sr2 n LEU 782 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1sr2 n LEU 782 Cb 0.60 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.26 1sr2 n LEU 782 CO 0.20 -0.36 0.16 2.30 -1.11 0.00 0.00 177.39 178.59 1sr2 n ILE 783 N -2.18 0.10 0.00 1.96 -5.35 -1.26 -5.01 119.36 107.61 1sr2 n ILE 783 Ca 0.00 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 1sr2 n ILE 783 Cb 0.00 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 1sr2 n ILE 783 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1sr2 n GLU 784 N 0.19 0.00 -3.63 6.28 2.13 -1.26 -4.71 120.64 119.63 1sr2 n GLU 784 Ca -0.05 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.40 1sr2 n GLU 784 Cb 0.98 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.62 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1sr2 s VAL 785 N 0.00 4.24 0.22 6.31 -7.23 -1.26 -4.95 120.40 117.73 1sr2 s VAL 785 Ca 0.00 -3.33 -0.10 0.00 -1.81 0.00 0.00 61.98 56.74 1sr2 s VAL 785 Cb 0.00 -3.68 0.21 0.00 0.56 0.00 0.00 36.38 33.47 1sr2 s VAL 785 CO 0.00 -0.99 1.66 1.56 -0.31 0.00 0.00 175.10 177.02 1sr2 h GLN 786 N 6.64 0.12 0.00 4.82 4.20 -1.98 -3.35 115.11 125.55 1sr2 h GLN 786 Ca 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1sr2 h GLN 786 Cb 0.90 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1sr2 h GLN 786 CO 0.78 0.08 -0.56 -0.11 -0.67 0.00 0.00 178.83 178.36 1sr2 n LEU 787 N -5.27 1.30 -3.86 1.46 7.94 -1.26 -4.98 117.00 112.33 1sr2 n LEU 787 Ca 0.10 0.21 -0.08 0.00 -1.11 0.00 0.00 56.01 55.13 1sr2 n LEU 787 Cb 0.37 -0.57 -0.01 0.00 0.53 0.00 0.00 43.42 43.74 1sr2 n LEU 787 CO 0.11 -0.42 0.46 0.00 -1.11 0.00 0.00 177.39 176.42 1sr2 s ALA 788 N -2.69 -0.94 0.01 1.96 0.00 -1.26 -5.18 121.76 113.67 1sr2 s ALA 788 Ca -0.16 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1sr2 s ALA 788 Cb 0.02 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 1sr2 s ALA 788 CO 0.24 -1.00 -0.04 -1.14 0.00 0.00 0.00 175.76 173.81 1sr2 s GLN 789 N -3.40 0.34 1.37 0.00 0.74 -1.26 -4.90 119.66 112.55 1sr2 s GLN 789 Ca 0.14 -0.40 -0.22 0.00 0.05 0.00 0.00 55.36 54.94 1sr2 s GLN 789 Cb -0.05 -0.18 0.35 0.00 1.10 0.00 0.00 33.01 34.23 1sr2 s GLN 789 CO 0.09 0.04 0.97 -1.21 -0.55 0.00 0.00 175.29 174.62 1sr2 s GLU 790 N -0.79 -2.53 0.00 1.67 0.41 -1.26 -5.02 118.70 111.18 1sr2 s GLU 790 Ca -0.06 0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 1sr2 s GLU 790 Cb -0.06 -1.42 0.00 0.00 -1.78 0.00 0.00 34.13 30.87 1sr2 s GLU 790 CO -0.00 -4.62 0.00 -0.85 -0.49 0.00 0.00 175.26 169.30 1sr2 n GLU 791 N -5.44 0.00 -1.82 1.61 0.28 -1.26 -5.12 120.64 108.89 1sr2 n GLU 791 Ca 0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.70 1sr2 n GLU 791 Cb 0.60 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.44 1sr2 n GLU 791 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1sr2 s VAL 792 N 2.17 3.14 -0.05 3.84 -7.23 -1.26 -4.99 120.40 116.03 1sr2 s VAL 792 Ca 0.00 0.30 0.06 0.00 -1.81 0.00 0.00 61.98 60.53 1sr2 s VAL 792 Cb 0.00 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 1sr2 s VAL 792 CO 0.00 -0.02 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.65 1sr2 s THR 793 N 3.87 2.31 -0.18 5.32 2.01 -1.26 -5.07 115.64 122.64 1sr2 s THR 793 Ca 0.81 -0.99 -0.39 0.00 0.31 0.00 0.00 61.69 61.43 1sr2 s THR 793 Cb -0.40 -1.85 -0.15 0.00 0.01 0.00 0.00 72.50 70.11 1sr2 s THR 793 CO 0.36 0.58 1.67 -0.62 -0.69 0.00 0.00 174.62 175.92 1sr2 n GLU 794 N 2.66 1.27 0.01 4.92 4.71 -1.26 -4.86 120.64 128.10 1sr2 n GLU 794 Ca -0.17 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.45 1sr2 n GLU 794 Cb 0.52 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 28.79 1sr2 n GLU 794 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1sr2 n SER 795 N 4.88 0.18 -4.26 1.62 3.41 -1.26 -5.10 113.62 113.09 1sr2 n SER 795 Ca 0.24 0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.60 1sr2 n SER 795 Cb 0.16 -0.04 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 1sr2 n SER 795 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1sr2 s PRO 796 N -2.00 0.53 0.12 4.33 0.04 -1.26 -4.98 135.00 131.78 1sr2 s PRO 796 Ca 0.00 -0.18 -0.15 0.00 0.04 0.00 0.00 61.00 60.71 1sr2 s PRO 796 Cb 0.00 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1sr2 s PRO 796 CO 0.00 -2.53 1.55 -0.07 0.04 0.00 0.00 177.00 175.99 1sr2 h LEU 797 N -1.73 0.71 0.00 -3.56 3.38 -1.97 -3.45 115.31 108.69 1sr2 h LEU 797 Ca -0.46 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1sr2 h LEU 797 Cb 1.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1sr2 h LEU 797 CO 0.44 0.88 0.00 0.61 0.09 0.00 0.00 178.44 180.46 1sr2 n GLY 798 N -0.28 1.86 0.80 0.83 0.00 -1.26 -2.43 105.19 104.72 1sr2 n GLY 798 Ca -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.68 2.95 -0.02 0.00 -1.26 -5.07 105.19 102.48 1sr2 n GLY 799 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.61 0.04 0.08 1.61 -1.08 -1.02 -5.03 116.67 110.66 1sr2 s ASP 800 Ca 0.00 -0.12 -0.20 0.00 -0.52 0.00 0.00 52.55 51.72 1sr2 s ASP 800 Cb 0.00 1.27 -0.09 0.00 -1.46 0.00 0.00 42.92 42.64 1sr2 s ASP 800 CO 0.00 -0.33 1.57 -0.33 0.52 0.00 0.00 175.17 176.60 1sr2 h GLU 801 N 8.14 0.34 -0.43 4.34 4.39 -1.98 -2.21 114.58 127.18 1sr2 h GLU 801 Ca -0.11 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.56 1sr2 h GLU 801 Cb 1.14 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 1sr2 h GLU 801 CO 0.25 0.46 0.16 -0.97 -1.16 0.00 0.00 179.01 177.75 1sr2 h ASN 802 N 0.16 0.17 -0.07 1.42 -0.73 -1.95 0.25 115.58 114.83 1sr2 h ASN 802 Ca 0.07 0.05 0.01 0.00 1.87 0.00 0.00 56.30 58.30 1sr2 h ASN 802 Cb 0.28 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 1sr2 h ASN 802 CO 0.00 0.13 -0.01 0.00 -0.37 0.00 0.00 177.43 177.18 1sr2 h ALA 803 N 1.27 0.06 -0.59 1.57 0.00 -1.90 -0.15 119.26 119.52 1sr2 h ALA 803 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1sr2 h ALA 803 Cb 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1sr2 h ALA 803 CO -0.20 -0.48 0.38 0.37 0.00 0.00 0.00 179.25 179.32 1sr2 h GLN 804 N 0.01 0.79 -0.42 0.00 5.75 -1.13 -0.52 115.11 119.60 1sr2 h GLN 804 Ca 0.04 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1sr2 h GLN 804 Cb 0.05 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1sr2 h GLN 804 CO -0.07 0.55 0.21 1.25 -2.65 0.00 0.00 178.83 178.12 1sr2 h LEU 805 N 0.80 0.54 0.00 -2.39 5.85 -0.42 -1.80 115.31 117.90 1sr2 h LEU 805 Ca 0.22 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1sr2 h LEU 805 Cb -0.06 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1sr2 h LEU 805 CO -0.04 0.51 -0.01 1.12 -0.34 0.00 0.00 178.44 179.67 1sr2 h HIS 806 N 0.53 0.00 -0.35 1.25 2.07 -0.95 -1.64 115.15 116.06 1sr2 h HIS 806 Ca 0.14 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.50 1sr2 h HIS 806 Cb 0.10 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.08 1sr2 h HIS 806 CO -0.01 0.00 -0.43 0.00 -3.07 0.00 0.00 177.93 174.41 1sr2 h ALA 807 N 2.44 0.56 0.00 6.11 0.00 -0.29 -2.78 119.26 125.30 1sr2 h ALA 807 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1sr2 h ALA 807 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sr2 h ALA 807 CO 0.00 0.68 0.00 0.77 0.00 0.00 0.00 179.25 180.70 1sr2 h SER 808 N 0.73 0.00 -0.13 0.00 0.02 -1.32 -3.47 113.55 109.39 1sr2 h SER 808 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1sr2 h SER 808 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1sr2 h SER 808 CO 0.10 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.40 1sr2 n GLY 809 N 0.68 1.08 1.40 -3.77 0.00 -1.05 -4.97 105.19 98.56 1sr2 n GLY 809 Ca 0.03 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.35 1.09 -0.31 1.61 4.01 -0.64 -4.49 117.16 116.08 1sr2 n TYR 810 Ca 0.00 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 1sr2 n TYR 810 Cb 0.27 -0.05 0.14 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 4.22 1.00 -0.45 -0.72 3.20 -1.87 -0.65 116.97 121.69 1sr2 h TYR 811 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1sr2 h TYR 811 Cb 1.09 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1sr2 h TYR 811 CO 0.55 0.52 0.27 0.00 -1.64 0.00 0.00 178.16 177.86 1sr2 h ALA 812 N 1.40 0.57 -0.01 1.82 0.00 -1.95 -2.08 119.26 119.01 1sr2 h ALA 812 Ca 0.37 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1sr2 h ALA 812 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1sr2 h ALA 812 CO -0.16 -0.04 -0.73 -0.07 0.00 0.00 0.00 179.25 178.25 1sr2 h LEU 813 N 0.55 0.11 0.24 0.00 3.38 -1.77 -2.80 115.31 115.03 1sr2 h LEU 813 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sr2 h LEU 813 Cb -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1sr2 h LEU 813 CO -0.07 0.80 -0.12 0.15 0.09 0.00 0.00 178.44 179.29 1sr2 h PHE 814 N 0.06 -0.30 -0.00 1.13 3.57 -0.67 -1.23 116.94 119.49 1sr2 h PHE 814 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1sr2 h PHE 814 Cb 1.29 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1sr2 h PHE 814 CO 0.01 -0.14 -0.00 1.33 -2.23 0.00 0.00 178.31 177.28 1sr2 n VAL 815 N -5.20 0.00 -0.04 1.41 0.24 -0.82 -3.27 118.33 110.65 1sr2 n VAL 815 Ca -0.09 -0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.17 1sr2 n VAL 815 Cb 0.18 -0.48 -0.01 0.00 -1.47 0.00 0.00 33.84 32.06 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 -1.09 0.86 0.09 -1.34 2.03 -0.93 -4.71 116.55 111.47 1sr2 n ASP 816 Ca 0.20 0.34 -0.23 0.00 0.52 0.00 0.00 54.79 55.63 1sr2 n ASP 816 Cb 0.16 -0.65 -0.15 0.00 -0.72 0.00 0.00 41.12 39.76 1sr2 n ASP 816 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sr2 h THR 817 N -0.46 1.31 0.66 5.18 1.03 -1.38 -3.37 112.91 115.87 1sr2 h THR 817 Ca 0.00 -2.60 -0.03 0.00 -0.01 0.00 0.00 66.41 63.77 1sr2 h THR 817 Cb 0.31 3.05 0.01 0.00 -1.07 0.00 0.00 68.15 70.44 1sr2 h THR 817 CO 0.00 0.77 -0.32 0.58 -0.01 0.00 0.00 175.52 176.55 1sr2 h VAL 818 N -0.08 0.25 -0.81 0.00 2.07 -1.72 0.16 116.25 116.12 1sr2 h VAL 818 Ca -0.23 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.18 1sr2 h VAL 818 Cb 1.95 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 1sr2 h VAL 818 CO 0.21 0.02 0.43 -0.65 0.02 0.00 0.00 177.57 177.60 1sr2 h PRO 819 N -1.05 0.67 0.00 1.57 0.11 -1.77 0.11 132.00 131.63 1sr2 h PRO 819 Ca -0.09 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.81 1sr2 h PRO 819 Cb 0.71 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 1sr2 h PRO 819 CO 0.15 0.44 -0.98 0.22 -0.21 0.00 0.00 178.00 177.62 1sr2 h ASP 820 N 0.69 0.00 -0.18 -2.05 3.58 -1.70 -1.84 116.42 114.92 1sr2 h ASP 820 Ca 0.41 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.69 1sr2 h ASP 820 Cb 0.48 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1sr2 h ASP 820 CO -0.30 0.73 -0.51 0.44 -2.88 0.00 0.00 179.24 176.72 1sr2 h ASP 821 N 0.00 0.84 -0.68 2.28 3.32 -0.10 -0.95 116.42 121.13 1sr2 h ASP 821 Ca -0.07 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 1sr2 h ASP 821 Cb 1.62 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 1sr2 h ASP 821 CO 0.08 1.20 0.23 0.58 -1.72 0.00 0.00 179.24 179.62 1sr2 h VAL 822 N 0.59 1.25 -0.31 -1.35 2.07 -0.79 0.98 116.25 118.70 1sr2 h VAL 822 Ca 0.02 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.76 1sr2 h VAL 822 Cb 1.09 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1sr2 h VAL 822 CO 0.11 0.33 -0.02 0.50 0.02 0.00 0.00 177.57 178.51 1sr2 h LYS 823 N 1.03 0.06 -0.76 1.57 3.64 -1.05 0.23 116.57 121.30 1sr2 h LYS 823 Ca 0.23 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1sr2 h LYS 823 Cb 0.26 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1sr2 h LYS 823 CO -0.01 0.04 0.27 0.00 -2.27 0.00 0.00 179.45 177.48 1sr2 h ARG 824 N 0.07 1.14 -0.74 1.90 3.08 -0.65 -0.71 114.38 118.48 1sr2 h ARG 824 Ca 0.15 -0.22 0.09 0.00 0.07 0.00 0.00 59.98 60.07 1sr2 h ARG 824 Cb 0.21 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 1sr2 h ARG 824 CO -0.27 0.95 0.39 -0.07 -1.07 0.00 0.00 179.97 179.90 1sr2 h LEU 825 N 1.11 0.53 -0.71 3.04 3.38 -0.28 0.41 115.31 122.78 1sr2 h LEU 825 Ca 0.25 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1sr2 h LEU 825 Cb 0.25 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1sr2 h LEU 825 CO -0.02 0.31 0.45 1.88 0.09 0.00 0.00 178.44 181.15 1sr2 h TYR 826 N 0.66 0.92 -0.17 1.13 0.05 -0.04 0.56 116.97 120.08 1sr2 h TYR 826 Ca 0.36 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 59.06 1sr2 h TYR 826 Cb 0.35 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 1sr2 h TYR 826 CO -0.09 0.61 -0.22 1.15 -1.05 0.00 0.00 178.16 178.55 1sr2 h THR 827 N 0.97 1.34 0.00 -2.88 2.02 0.06 -2.20 112.91 112.23 1sr2 h THR 827 Ca 0.26 -1.42 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 1sr2 h THR 827 Cb -0.07 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1sr2 h THR 827 CO -0.05 0.43 -0.51 -0.33 0.37 0.00 0.00 175.52 175.42 1sr2 h GLU 828 N 0.10 0.00 -0.57 6.66 3.07 -0.14 -1.73 114.58 121.97 1sr2 h GLU 828 Ca 0.02 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1sr2 h GLU 828 Cb 0.79 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1sr2 h GLU 828 CO 0.05 0.51 0.02 0.00 -1.40 0.00 0.00 179.01 178.20 1sr2 h ALA 829 N 1.49 0.76 -0.69 3.43 0.00 -0.82 -0.03 119.26 123.40 1sr2 h ALA 829 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1sr2 h ALA 829 Cb 1.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1sr2 h ALA 829 CO 0.07 0.57 0.27 0.00 0.00 0.00 0.00 179.25 180.16 1sr2 h ALA 830 N 0.97 1.17 0.00 0.00 0.00 -0.89 -1.53 119.26 118.98 1sr2 h ALA 830 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sr2 h ALA 830 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sr2 h ALA 830 CO 0.03 0.60 0.00 2.41 0.00 0.00 0.00 179.25 182.28 1sr2 n THR 831 N -4.29 0.02 -2.21 0.00 -1.04 -0.70 -4.91 114.28 101.16 1sr2 n THR 831 Ca 0.06 0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.92 1sr2 n THR 831 Cb 0.18 -0.51 -0.01 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.45 -4.75 -4.17 8.00 7.64 -0.16 -4.91 113.62 113.82 1sr2 n SER 832 Ca 0.08 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 1sr2 n SER 832 Cb 0.32 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 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 -0.97 4.86 0.25 6.43 -0.08 -0.43 -4.78 116.55 121.82 1sr2 n ASP 833 Ca -0.18 -2.98 0.07 0.00 -1.51 0.00 0.00 54.79 50.19 1sr2 n ASP 833 Cb 0.63 -1.60 0.59 0.00 2.34 0.00 0.00 41.12 43.08 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 6.59 0.00 -0.84 -0.67 0.04 -1.91 0.33 116.94 120.48 1sr2 h PHE 834 Ca 0.42 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.15 1sr2 h PHE 834 Cb 0.75 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 1sr2 h PHE 834 CO 1.29 0.08 0.39 0.00 -0.60 0.00 0.00 178.31 179.46 1sr2 h ALA 835 N 1.92 1.08 0.06 2.45 0.00 -1.94 0.83 119.26 123.67 1sr2 h ALA 835 Ca -0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 1sr2 h ALA 835 Cb 0.13 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1sr2 h ALA 835 CO 0.01 0.66 -1.08 0.00 0.00 0.00 0.00 179.25 178.84 1sr2 h ALA 836 N 1.21 0.22 -0.35 0.00 0.00 -1.47 -1.80 119.26 117.08 1sr2 h ALA 836 Ca 0.29 -0.77 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1sr2 h ALA 836 Cb 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1sr2 h ALA 836 CO -0.03 0.84 0.09 1.25 0.00 0.00 0.00 179.25 181.40 1sr2 h LEU 837 N 0.19 0.06 -0.87 0.00 5.85 -0.13 0.17 115.31 120.59 1sr2 h LEU 837 Ca -0.11 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1sr2 h LEU 837 Cb 1.75 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 1sr2 h LEU 837 CO 0.19 0.07 -0.04 0.00 -0.34 0.00 0.00 178.44 178.32 1sr2 h ALA 838 N 1.24 1.05 -0.40 1.25 0.00 -0.84 -1.56 119.26 120.01 1sr2 h ALA 838 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sr2 h ALA 838 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1sr2 h ALA 838 CO -0.19 0.59 0.26 1.96 0.00 0.00 0.00 179.25 181.86 1sr2 h GLN 839 N 0.74 0.53 -0.33 0.00 1.08 -0.40 0.20 115.11 116.92 1sr2 h GLN 839 Ca 0.14 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.22 1sr2 h GLN 839 Cb 0.51 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1sr2 h GLN 839 CO 0.03 0.36 -0.12 1.15 -0.95 0.00 0.00 178.83 179.30 1sr2 h THR 840 N 0.53 1.24 -0.32 -0.54 2.02 -0.51 0.12 112.91 115.45 1sr2 h THR 840 Ca 0.14 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 1sr2 h THR 840 Cb -0.04 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1sr2 h THR 840 CO -0.03 0.35 -0.10 0.00 0.37 0.00 0.00 175.52 176.11 1sr2 h ALA 841 N 1.35 1.24 -0.52 6.16 0.00 -0.71 0.89 119.26 127.68 1sr2 h ALA 841 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1sr2 h ALA 841 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sr2 h ALA 841 CO 0.03 0.49 -0.06 1.25 0.00 0.00 0.00 179.25 180.96 1sr2 h HIS 842 N 0.49 1.07 -0.25 0.00 6.17 0.12 0.22 115.15 122.97 1sr2 h HIS 842 Ca 0.09 -0.21 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1sr2 h HIS 842 Cb 0.47 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.12 1sr2 h HIS 842 CO 0.02 1.00 0.16 -0.09 0.71 0.00 0.00 177.93 179.73 1sr2 h ARG 843 N 0.84 0.34 -0.09 5.26 2.43 -0.49 -1.40 114.38 121.26 1sr2 h ARG 843 Ca 0.14 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1sr2 h ARG 843 Cb 0.61 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1sr2 h ARG 843 CO 0.04 0.23 0.05 -0.07 -1.51 0.00 0.00 179.97 178.71 1sr2 h LEU 844 N 0.34 0.12 -1.68 3.80 3.38 -0.64 0.64 115.31 121.27 1sr2 h LEU 844 Ca 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1sr2 h LEU 844 Cb -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1sr2 h LEU 844 CO -0.02 0.19 -0.06 0.07 0.09 0.00 0.00 178.44 178.72 1sr2 h LYS 845 N 0.03 0.13 -0.04 1.13 2.10 -0.91 0.17 116.57 119.20 1sr2 h LYS 845 Ca 0.03 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1sr2 h LYS 845 Cb 0.11 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1sr2 h LYS 845 CO -0.00 0.20 -0.06 0.78 -2.00 0.00 0.00 179.45 178.36 1sr2 h GLY 846 N 0.44 0.12 1.08 0.07 0.00 -0.73 -1.92 103.07 102.13 1sr2 h GLY 846 Ca 0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1sr2 h GLY 846 CO 0.01 0.12 -0.17 -0.39 0.00 0.00 0.00 176.54 176.11 1sr2 h VAL 847 N -0.41 1.27 -0.32 4.60 -1.51 -0.52 0.08 116.25 119.44 1sr2 h VAL 847 Ca 0.00 -1.32 -0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1sr2 h VAL 847 Cb 0.63 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1sr2 h VAL 847 CO 0.01 0.46 0.20 -0.26 -1.23 0.00 0.00 177.57 176.75 1sr2 h PHE 848 N 0.81 0.41 -0.42 5.19 0.04 -0.75 0.12 116.94 122.34 1sr2 h PHE 848 Ca 0.11 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 1sr2 h PHE 848 Cb 0.74 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1sr2 h PHE 848 CO 0.05 0.29 0.18 0.00 -0.60 0.00 0.00 178.31 178.23 1sr2 h ALA 849 N 1.09 1.52 -0.35 2.45 0.00 -1.19 0.42 119.26 123.20 1sr2 h ALA 849 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1sr2 h ALA 849 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1sr2 h ALA 849 CO -0.02 0.37 -0.07 1.98 0.00 0.00 0.00 179.25 181.52 1sr2 h MET 850 N 0.59 0.67 0.00 0.00 1.85 -0.14 -2.61 114.93 115.28 1sr2 h MET 850 Ca 0.15 -0.25 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1sr2 h MET 850 Cb 0.11 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.09 1sr2 h MET 850 CO -0.02 0.82 0.00 1.28 -0.40 0.00 0.00 176.91 178.59 1sr2 n LEU 851 N -4.43 0.00 -0.12 3.39 4.77 0.35 -4.88 117.00 116.09 1sr2 n LEU 851 Ca -0.02 0.42 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1sr2 n LEU 851 Cb 0.33 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1sr2 n LEU 851 CO 0.41 -0.03 -0.01 0.59 -1.33 0.00 0.00 177.39 177.02 1sr2 n ASN 852 N -1.42 -2.01 -4.39 -1.43 3.02 0.22 -4.72 115.26 104.52 1sr2 n ASN 852 Ca 0.09 0.01 -0.44 0.00 -0.03 0.00 0.00 54.58 54.21 1sr2 n ASN 852 Cb 0.29 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.15 5.40 0.14 3.41 4.77 0.12 -4.89 117.00 125.81 1sr2 n LEU 853 Ca -0.01 -4.43 -0.14 0.00 -0.03 0.00 0.00 56.01 51.39 1sr2 n LEU 853 Cb 0.32 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.73 1sr2 n LEU 853 CO 0.02 0.77 0.62 0.58 -1.33 0.00 0.00 177.39 178.04 1sr2 h VAL 854 N 4.60 0.24 -0.85 4.08 2.07 -1.93 -0.85 116.25 123.60 1sr2 h VAL 854 Ca 0.34 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.94 1sr2 h VAL 854 Cb 0.84 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 1sr2 h VAL 854 CO 1.32 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 178.78 1sr2 h PRO 855 N -0.63 0.89 -0.36 1.57 0.11 -1.97 0.20 132.00 131.80 1sr2 h PRO 855 Ca 0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1sr2 h PRO 855 Cb 0.64 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1sr2 h PRO 855 CO -0.18 0.59 0.14 0.78 -0.21 0.00 0.00 178.00 179.12 1sr2 h GLY 856 N 0.91 0.58 1.12 -0.55 0.00 -1.89 -1.27 103.07 101.97 1sr2 h GLY 856 Ca 0.39 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1sr2 h GLY 856 CO -0.20 0.30 0.29 1.70 0.00 0.00 0.00 176.54 178.63 1sr2 h LYS 857 N 0.44 1.12 -0.63 4.80 3.64 -0.42 -1.76 116.57 123.75 1sr2 h LYS 857 Ca 0.12 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1sr2 h LYS 857 Cb 0.19 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1sr2 h LYS 857 CO -0.01 0.92 0.41 0.37 -2.27 0.00 0.00 179.45 178.87 1sr2 h GLN 858 N 1.09 0.84 -0.82 1.90 5.75 -0.37 0.07 115.11 123.57 1sr2 h GLN 858 Ca 0.25 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1sr2 h GLN 858 Cb 0.22 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 1sr2 h GLN 858 CO -0.02 0.57 0.53 -0.07 -2.65 0.00 0.00 178.83 177.19 1sr2 h LEU 859 N 0.86 0.96 -1.35 -2.39 3.38 -0.81 -1.61 115.31 114.33 1sr2 h LEU 859 Ca 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1sr2 h LEU 859 Cb -0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1sr2 h LEU 859 CO -0.05 0.70 -0.25 0.00 0.09 0.00 0.00 178.44 178.93 1sr2 h GLU 861 N 0.00 -0.33 -0.62 0.00 4.39 -0.07 -1.46 114.58 116.49 1sr2 h GLU 861 Ca -0.00 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1sr2 h GLU 861 Cb 0.64 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1sr2 h GLU 861 CO 0.03 -0.03 0.25 1.15 -1.16 0.00 0.00 179.01 179.25 1sr2 h THR 862 N -0.62 1.22 -0.08 1.13 2.02 -1.16 -2.29 112.91 113.12 1sr2 h THR 862 Ca -0.03 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1sr2 h THR 862 Cb 0.44 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1sr2 h THR 862 CO 0.06 0.27 -0.21 0.25 0.37 0.00 0.00 175.52 176.26 1sr2 h LEU 863 N 0.89 -0.63 -0.76 2.58 6.46 -0.49 0.24 115.31 123.60 1sr2 h LEU 863 Ca 0.21 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 58.14 1sr2 h LEU 863 Cb 0.17 0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1sr2 h LEU 863 CO -0.02 -0.27 0.44 -0.33 -0.62 0.00 0.00 178.44 177.64 1sr2 h GLU 864 N -0.29 0.76 -0.56 1.25 5.08 -0.96 0.32 114.58 120.19 1sr2 h GLU 864 Ca 0.08 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1sr2 h GLU 864 Cb 0.41 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1sr2 h GLU 864 CO -0.25 0.50 0.35 1.25 -1.00 0.00 0.00 179.01 179.87 1sr2 h HIS 865 N 0.78 0.66 -0.14 4.33 2.76 -0.81 -0.27 115.15 122.47 1sr2 h HIS 865 Ca 0.35 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.45 1sr2 h HIS 865 Cb 0.24 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1sr2 h HIS 865 CO -0.06 0.40 -0.27 -0.07 -1.30 0.00 0.00 177.93 176.62 1sr2 h LEU 866 N 0.71 0.25 -0.04 0.26 3.38 0.81 -1.30 115.31 119.39 1sr2 h LEU 866 Ca 0.22 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.85 1sr2 h LEU 866 Cb -0.03 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1sr2 h LEU 866 CO -0.07 0.53 -1.08 0.40 0.09 0.00 0.00 178.44 178.31 1sr2 h ILE 867 N 0.23 1.39 -0.51 1.22 2.04 -0.64 0.73 117.51 121.96 1sr2 h ILE 867 Ca 0.03 -2.57 -0.05 0.00 1.00 0.00 0.00 64.86 63.27 1sr2 h ILE 867 Cb 0.61 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1sr2 h ILE 867 CO 0.04 0.77 0.09 0.08 0.00 0.00 0.00 178.15 179.14 1sr2 h ARG 868 N 0.22 0.79 -0.01 2.37 -0.00 -0.72 -1.83 114.38 115.20 1sr2 h ARG 868 Ca -0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 59.98 59.69 1sr2 h ARG 868 Cb 1.74 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 31.60 1sr2 h ARG 868 CO 0.19 0.74 -0.10 -0.85 -0.00 0.00 0.00 179.97 179.95 1sr2 n GLU 869 N -4.26 1.36 -3.52 0.08 0.28 -0.52 -4.95 120.64 109.10 1sr2 n GLU 869 Ca 0.03 -0.80 -0.21 0.00 -0.16 0.00 0.00 57.16 56.02 1sr2 n GLU 869 Cb 0.24 -1.48 0.08 0.00 1.43 0.00 0.00 31.44 31.71 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sr2 n LYS 870 N -0.12 -7.41 -3.10 3.44 4.76 -0.47 -4.95 118.16 110.31 1sr2 n LYS 870 Ca 0.16 0.82 -0.45 0.00 -2.87 0.00 0.00 58.31 55.97 1sr2 n LYS 870 Cb 0.36 -5.82 -0.03 0.00 -1.84 0.00 0.00 35.03 27.70 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 -3.66 6.56 0.11 4.39 -1.08 0.13 -4.94 116.67 118.17 1sr2 s ASP 871 Ca 0.38 -2.09 -0.27 0.00 -0.52 0.00 0.00 52.55 50.05 1sr2 s ASP 871 Cb -0.17 -2.32 -0.09 0.00 -1.46 0.00 0.00 42.92 38.89 1sr2 s ASP 871 CO 0.72 -0.93 1.64 0.58 0.52 0.00 0.00 175.17 177.70 1sr2 h VAL 872 N 5.51 0.42 -0.67 1.11 2.07 -1.92 -0.74 116.25 122.02 1sr2 h VAL 872 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1sr2 h VAL 872 Cb 1.04 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 1sr2 h VAL 872 CO 0.99 0.00 0.26 -0.65 0.02 0.00 0.00 177.57 178.19 1sr2 h PRO 873 N -0.49 0.42 -0.48 1.57 0.11 -1.98 -1.15 132.00 129.99 1sr2 h PRO 873 Ca 0.02 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1sr2 h PRO 873 Cb 0.51 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1sr2 h PRO 873 CO -0.14 0.27 -0.10 0.78 -0.21 0.00 0.00 178.00 178.60 1sr2 h GLY 874 N 0.43 0.95 0.76 -0.55 0.00 -1.90 -1.71 103.07 101.05 1sr2 h GLY 874 Ca 0.35 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1sr2 h GLY 874 CO -0.34 0.67 -0.43 -2.22 0.00 0.00 0.00 176.54 174.22 1sr2 h ILE 875 N 0.79 0.14 -0.36 2.60 2.04 0.05 -0.70 117.51 122.07 1sr2 h ILE 875 Ca 0.13 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 1sr2 h ILE 875 Cb 0.62 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1sr2 h ILE 875 CO 0.04 0.00 -0.02 1.05 0.00 0.00 0.00 178.15 179.23 1sr2 h GLU 876 N -1.00 0.57 -0.26 2.37 4.11 -1.35 0.40 114.58 119.42 1sr2 h GLU 876 Ca -0.08 -0.13 0.01 0.00 0.07 0.00 0.00 59.36 59.24 1sr2 h GLU 876 Cb 0.83 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1sr2 h GLU 876 CO 0.05 0.61 0.13 -0.22 0.07 0.00 0.00 179.01 179.65 1sr2 h LYS 877 N 0.55 0.27 -0.23 1.06 1.63 -1.11 0.55 116.57 119.28 1sr2 h LYS 877 Ca 0.11 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.73 1sr2 h LYS 877 Cb 0.37 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1sr2 h LYS 877 CO 0.01 0.18 -0.54 1.88 -3.45 0.00 0.00 179.45 177.54 1sr2 h TYR 878 N 0.28 0.86 -0.47 1.91 -1.99 -0.64 -1.61 116.97 115.31 1sr2 h TYR 878 Ca 0.11 -0.30 -0.02 0.00 2.00 0.00 0.00 58.73 60.52 1sr2 h TYR 878 Cb 0.02 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 1sr2 h TYR 878 CO -0.09 1.07 0.23 0.82 -0.00 0.00 0.00 178.16 180.19 1sr2 h ILE 879 N 0.53 1.19 -0.04 -2.88 2.04 -0.67 0.21 117.51 117.89 1sr2 h ILE 879 Ca 0.01 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1sr2 h ILE 879 Cb 1.11 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1sr2 h ILE 879 CO 0.11 0.21 -0.43 0.77 0.00 0.00 0.00 178.15 178.81 1sr2 h SER 880 N 0.62 0.09 -0.18 1.72 4.64 -0.84 0.12 113.55 119.72 1sr2 h SER 880 Ca 0.16 -0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 1sr2 h SER 880 Cb 0.12 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1sr2 h SER 880 CO -0.02 0.51 -0.56 0.44 -0.87 0.00 0.00 176.83 176.33 1sr2 h ASP 881 N 0.08 0.87 -0.03 4.97 5.19 -0.79 0.13 116.42 126.84 1sr2 h ASP 881 Ca 0.00 -0.47 -0.06 0.00 -0.62 0.00 0.00 57.03 55.88 1sr2 h ASP 881 Cb 0.79 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1sr2 h ASP 881 CO 0.06 1.25 -0.15 0.40 -3.12 0.00 0.00 179.24 177.68 1sr2 h ILE 882 N 0.59 1.21 -0.05 0.35 2.04 -0.27 0.16 117.51 121.55 1sr2 h ILE 882 Ca 0.01 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 1sr2 h ILE 882 Cb 1.15 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1sr2 h ILE 882 CO 0.12 0.30 -0.11 -0.78 0.00 0.00 0.00 178.15 177.68 1sr2 h ASP 883 N 0.32 0.19 0.03 1.72 3.58 -0.65 -1.98 116.42 119.63 1sr2 h ASP 883 Ca 0.06 -0.58 -0.08 0.00 0.42 0.00 0.00 57.03 56.85 1sr2 h ASP 883 Cb 0.46 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1sr2 h ASP 883 CO 0.03 0.74 -0.22 0.77 -2.88 0.00 0.00 179.24 177.67 1sr2 h SER 884 N -0.35 0.34 0.03 2.28 4.64 -0.67 0.85 113.55 120.66 1sr2 h SER 884 Ca -0.00 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1sr2 h SER 884 Cb 0.71 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 1sr2 h SER 884 CO 0.03 0.58 -0.41 0.22 -0.87 0.00 0.00 176.83 176.37 1sr2 h TYR 885 N 0.31 -1.17 -0.12 4.77 3.20 -0.55 -1.71 116.97 121.71 1sr2 h TYR 885 Ca 0.05 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1sr2 h TYR 885 Cb 0.57 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1sr2 h TYR 885 CO 0.01 -0.50 -0.20 0.28 -1.64 0.00 0.00 178.16 176.12 1sr2 h VAL 886 N -0.59 1.20 -0.27 1.81 2.07 -0.91 -1.06 116.25 118.50 1sr2 h VAL 886 Ca 0.04 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1sr2 h VAL 886 Cb 0.66 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1sr2 h VAL 886 CO -0.30 0.28 0.05 0.11 0.02 0.00 0.00 177.57 177.74 1sr2 h LYS 887 N 0.18 0.15 0.00 1.57 1.79 -0.11 0.75 116.57 120.90 1sr2 h LYS 887 Ca 0.03 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 1sr2 h LYS 887 Cb 0.46 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1sr2 h LYS 887 CO 0.03 0.10 -0.45 0.77 -1.08 0.00 0.00 179.45 178.82 1sr2 h SER 888 N 0.15 0.00 1.55 0.86 0.02 -0.93 -3.08 113.55 112.13 1sr2 h SER 888 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1sr2 h SER 888 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1sr2 h SER 888 CO -0.16 0.45 0.00 -0.07 -1.14 0.00 0.00 176.83 175.91 1sr2 h LEU 889 N 0.00 0.00 0.00 5.07 4.07 -0.45 -3.49 115.31 120.51 1sr2 h LEU 889 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1sr2 h LEU 889 Cb 1.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1sr2 h LEU 889 CO 0.06 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.60