#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqs s GLU 779 N 0.00 4.42 0.02 1.43 1.03 -1.24 -4.86 118.70 119.51 1pqs s GLU 779 Ca 0.00 1.69 -0.19 0.00 0.03 0.00 0.00 54.97 56.50 1pqs s GLU 779 Cb 0.00 -3.44 -0.06 0.00 -0.80 0.00 0.00 34.13 29.83 1pqs s GLU 779 CO 0.00 -0.30 0.55 -1.50 -1.33 0.00 0.00 175.26 172.68 1pqs s ILE 780 N 1.48 4.87 0.04 1.83 1.10 -1.26 -2.89 121.20 126.38 1pqs s ILE 780 Ca 0.57 1.16 0.06 0.00 -0.51 0.00 0.00 60.65 61.93 1pqs s ILE 780 Cb -0.27 -3.88 -0.02 0.00 0.15 0.00 0.00 42.46 38.44 1pqs s ILE 780 CO 0.26 0.49 -0.16 0.12 -2.11 0.00 0.00 174.94 173.54 1pqs s PHE 781 N -0.61 1.43 -0.06 3.50 5.36 0.24 -4.95 117.98 122.89 1pqs s PHE 781 Ca 0.29 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 1pqs s PHE 781 Cb -0.18 -0.84 0.01 0.00 -0.34 0.00 0.00 43.02 41.66 1pqs s PHE 781 CO 0.17 0.06 -0.15 0.95 -1.46 0.00 0.00 175.22 174.79 1pqs s THR 782 N -0.85 1.32 -0.05 0.12 -4.23 -1.26 0.52 115.64 111.21 1pqs s THR 782 Ca 0.03 -0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1pqs s THR 782 Cb -0.08 -1.17 0.03 0.00 1.34 0.00 0.00 72.50 72.61 1pqs s THR 782 CO 0.02 0.39 0.32 -0.22 -0.54 0.00 0.00 174.62 174.59 1pqs s LEU 783 N 0.41 0.80 -0.17 4.79 2.96 0.50 -4.98 118.68 122.99 1pqs s LEU 783 Ca -0.11 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1pqs s LEU 783 Cb -0.14 1.25 0.04 0.00 0.50 0.00 0.00 46.19 47.83 1pqs s LEU 783 CO 0.04 -0.36 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.39 1pqs s LEU 784 N -0.92 1.84 0.00 -0.68 2.96 -1.26 -1.54 118.68 119.09 1pqs s LEU 784 Ca -0.10 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 52.84 1pqs s LEU 784 Cb -0.04 -1.10 -0.06 0.00 0.50 0.00 0.00 46.19 45.48 1pqs s LEU 784 CO 0.03 -0.13 1.57 0.68 -1.32 0.00 0.00 176.35 177.19 1pqs s VAL 785 N 1.51 3.44 0.00 1.68 -7.23 -1.26 -4.95 120.40 113.59 1pqs s VAL 785 Ca 0.02 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 1pqs s VAL 785 Cb -0.15 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1pqs s VAL 785 CO -0.09 -0.03 0.00 1.21 -0.31 0.00 0.00 175.10 175.89 1pqs n GLU 786 N 6.07 0.00 -0.44 4.82 0.00 -1.26 -4.61 120.64 125.22 1pqs n GLU 786 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.27 1pqs n GLU 786 Cb 0.42 -0.12 0.02 0.00 0.00 0.00 0.00 31.44 31.76 1pqs n GLU 786 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pqs n LYS 787 N -0.75 1.23 0.00 5.31 4.01 -1.26 -4.81 118.16 121.89 1pqs n LYS 787 Ca 0.00 -0.49 0.00 0.00 -0.51 0.00 0.00 58.31 57.31 1pqs n LYS 787 Cb 0.00 -1.19 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 1pqs n LYS 787 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1pqs n VAL 788 N 0.74 0.00 -0.86 -0.18 0.31 -1.26 -4.75 118.33 112.33 1pqs n VAL 788 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1pqs n VAL 788 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1pqs n VAL 788 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1pqs n TRP 789 N 0.00 -2.01 -1.33 3.52 8.01 -1.26 -4.80 117.44 119.57 1pqs n TRP 789 Ca 0.00 1.09 -0.27 0.00 -1.31 0.00 0.00 57.50 57.00 1pqs n TRP 789 Cb 0.00 -2.48 0.02 0.00 -2.01 0.00 0.00 31.31 26.84 1pqs n TRP 789 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1pqs n ASN 790 N 0.13 6.91 0.00 -0.99 4.05 -1.26 -4.85 115.26 119.25 1pqs n ASN 790 Ca 0.00 -3.39 0.00 0.00 0.45 0.00 0.00 54.58 51.64 1pqs n ASN 790 Cb 0.00 -1.10 0.00 0.00 1.23 0.00 0.00 39.78 39.91 1pqs n ASN 790 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1pqs n PHE 791 N 0.10 0.00 -0.13 1.20 7.35 -1.26 -4.49 117.46 120.22 1pqs n PHE 791 Ca 0.47 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 57.08 1pqs n PHE 791 Cb 0.53 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.36 1pqs n PHE 791 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1pqs h ASP 792 N 0.00 0.48 -0.70 -2.13 3.58 -1.99 0.15 116.42 115.80 1pqs h ASP 792 Ca 0.00 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1pqs h ASP 792 Cb 0.00 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1pqs h ASP 792 CO 0.00 0.39 0.17 -0.78 -2.88 0.00 0.00 179.24 176.14 1pqs h ASP 793 N 0.53 1.07 -0.35 2.28 1.82 -1.91 -0.34 116.42 119.51 1pqs h ASP 793 Ca 0.14 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 1pqs h ASP 793 Cb -0.00 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 1pqs h ASP 793 CO -0.03 1.02 0.19 0.25 -1.61 0.00 0.00 179.24 179.07 1pqs h LEU 794 N 1.06 0.44 -0.73 2.28 5.85 -1.75 0.74 115.31 123.20 1pqs h LEU 794 Ca 0.22 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1pqs h LEU 794 Cb 0.37 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1pqs h LEU 794 CO 0.00 0.40 0.33 0.40 -0.34 0.00 0.00 178.44 179.23 1pqs h ILE 795 N 0.44 1.24 -0.56 4.05 1.08 -0.45 0.05 117.51 123.36 1pqs h ILE 795 Ca 0.12 -0.71 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 1pqs h ILE 795 Cb 0.06 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 1pqs h ILE 795 CO -0.02 0.29 0.33 0.24 -0.69 0.00 0.00 178.15 178.30 1pqs h MET 796 N 1.03 0.63 -0.33 2.37 2.86 -0.58 0.18 114.93 121.09 1pqs h MET 796 Ca 0.25 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1pqs h MET 796 Cb 0.15 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1pqs h MET 796 CO -0.03 0.42 0.11 0.00 1.06 0.00 0.00 176.91 178.47 1pqs h ALA 797 N 1.26 0.43 0.22 6.32 0.00 -0.36 0.33 119.26 127.46 1pqs h ALA 797 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pqs h ALA 797 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1pqs h ALA 797 CO -0.11 0.06 -0.21 0.82 0.00 0.00 0.00 179.25 179.81 1pqs h ILE 798 N 0.38 0.55 -0.54 0.00 2.04 -0.48 -1.35 117.51 118.11 1pqs h ILE 798 Ca 0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1pqs h ILE 798 Cb 0.23 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1pqs h ILE 798 CO -0.00 0.00 0.15 0.78 0.00 0.00 0.00 178.15 179.08 1pqs h ASN 799 N -0.45 0.75 -0.19 1.72 2.35 -0.57 0.49 115.58 119.67 1pqs h ASN 799 Ca -0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1pqs h ASN 799 Cb 0.42 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1pqs h ASN 799 CO -0.04 0.72 0.09 -1.28 -1.65 0.00 0.00 177.43 175.27 1pqs h SER 800 N 0.79 0.26 -0.17 5.81 0.87 -0.62 -3.19 113.55 117.29 1pqs h SER 800 Ca 0.18 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1pqs h SER 800 Cb 0.25 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1pqs h SER 800 CO -0.01 0.32 -0.14 0.11 -0.53 0.00 0.00 176.83 176.58 1pqs h LYS 801 N 0.18 0.40 -6.53 2.24 1.79 -1.00 -3.38 116.57 110.27 1pqs h LYS 801 Ca 0.07 -0.20 -0.53 0.00 -2.18 0.00 0.00 60.65 57.81 1pqs h LYS 801 Cb 0.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1pqs h LYS 801 CO -0.01 0.75 0.48 0.42 -1.08 0.00 0.00 179.45 180.01 1pqs s ILE 802 N -4.38 4.21 -1.49 1.86 1.01 0.14 -3.46 121.20 119.09 1pqs s ILE 802 Ca -0.14 1.69 -0.07 0.00 0.00 0.00 0.00 60.65 62.14 1pqs s ILE 802 Cb 0.06 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.46 1pqs s ILE 802 CO 0.76 0.19 0.83 -0.24 0.00 0.00 0.00 174.94 176.48 1pqs n SER 803 N 3.35 -6.18 -1.63 3.58 2.88 -1.26 -4.46 113.62 109.90 1pqs n SER 803 Ca 0.06 -0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 57.19 1pqs n SER 803 Cb 0.48 -4.94 -0.03 0.00 -0.75 0.00 0.00 64.21 58.96 1pqs n SER 803 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1pqs n ASN 804 N -2.71 4.96 0.13 -3.46 2.04 -1.22 -4.03 115.26 110.97 1pqs n ASN 804 Ca -0.06 -2.33 -0.06 0.00 -0.44 0.00 0.00 54.58 51.68 1pqs n ASN 804 Cb 0.60 -1.10 -0.03 0.00 -2.53 0.00 0.00 39.78 36.71 1pqs n ASN 804 CO 0.00 0.00 0.00 0.71 -0.44 0.00 0.00 177.26 177.53 1pqs h THR 805 N 1.25 0.00 0.00 5.53 1.35 -1.92 -3.44 112.91 115.69 1pqs h THR 805 Ca 0.03 -0.52 -0.13 0.00 -0.55 0.00 0.00 66.41 65.23 1pqs h THR 805 Cb 1.02 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.32 1pqs h THR 805 CO 0.05 0.00 -0.25 0.00 -0.25 0.00 0.00 175.52 175.07 1pqs n HIS 806 N -4.53 -1.01 -3.89 4.73 1.44 -1.26 -5.12 115.22 105.57 1pqs n HIS 806 Ca -0.05 -1.03 -0.11 0.00 -2.01 0.00 0.00 57.72 54.52 1pqs n HIS 806 Cb 0.16 1.01 -0.10 0.00 0.12 0.00 0.00 29.99 31.18 1pqs n HIS 806 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1pqs s ASN 807 N -0.94 0.06 -0.02 4.39 -0.87 -1.26 -5.01 114.94 111.29 1pqs s ASN 807 Ca 0.04 -0.28 0.05 0.00 -1.57 0.00 0.00 52.86 51.10 1pqs s ASN 807 Cb 0.22 0.20 0.17 0.00 -0.02 0.00 0.00 41.25 41.82 1pqs s ASN 807 CO -0.06 -0.39 1.01 0.59 -2.57 0.00 0.00 177.10 175.68 1pqs n ASN 808 N 1.36 1.38 -1.15 -1.22 5.03 -1.26 -4.33 115.26 115.07 1pqs n ASN 808 Ca -0.22 -2.08 0.00 0.00 0.87 0.00 0.00 54.58 53.14 1pqs n ASN 808 Cb 0.56 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 1pqs n ASN 808 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1pqs n ASN 809 N 0.07 -6.28 0.10 6.41 5.15 -1.26 -4.20 115.26 115.25 1pqs n ASN 809 Ca 0.06 1.21 -0.04 0.00 -0.60 0.00 0.00 54.58 55.20 1pqs n ASN 809 Cb 0.27 -3.35 -0.02 0.00 -0.53 0.00 0.00 39.78 36.14 1pqs n ASN 809 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1pqs h ILE 810 N 0.50 0.00 -1.82 -1.44 5.03 -1.93 -3.49 117.51 114.35 1pqs h ILE 810 Ca 0.00 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 1pqs h ILE 810 Cb 0.46 0.00 -0.22 0.00 -3.03 0.00 0.00 36.82 34.03 1pqs h ILE 810 CO 0.00 0.00 0.30 -0.44 -0.68 0.00 0.00 178.15 177.33 1pqs s SER 811 N -3.85 -0.58 -0.06 1.72 0.01 -1.26 -5.04 113.70 104.65 1pqs s SER 811 Ca -0.04 0.89 -0.05 0.00 1.31 0.00 0.00 55.95 58.06 1pqs s SER 811 Cb 0.00 0.83 -0.21 0.00 0.21 0.00 0.00 66.02 66.85 1pqs s SER 811 CO 0.13 -0.35 3.02 -2.65 0.41 0.00 0.00 173.24 173.79 1pqs n PRO 812 N 1.66 1.68 -1.19 12.44 -0.02 -1.26 -4.50 135.00 143.80 1pqs n PRO 812 Ca -0.14 -0.85 -0.07 0.00 -2.02 0.00 0.00 63.50 60.42 1pqs n PRO 812 Cb 0.56 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1pqs n PRO 812 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pqs n ILE 813 N 2.65 0.00 0.00 4.25 2.08 -1.26 -3.55 119.36 123.52 1pqs n ILE 813 Ca 0.36 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.67 1pqs n ILE 813 Cb 0.72 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.59 1pqs n ILE 813 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1pqs n THR 814 N -2.53 0.00 -2.82 1.39 -2.24 -1.26 -4.53 114.28 102.28 1pqs n THR 814 Ca -0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1pqs n THR 814 Cb 0.36 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 1pqs n THR 814 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1pqs n LYS 815 N 0.00 3.74 -1.38 -0.78 0.00 -1.26 -4.94 118.16 113.54 1pqs n LYS 815 Ca 0.00 -4.77 -0.38 0.00 -0.00 0.00 0.00 58.31 53.15 1pqs n LYS 815 Cb 0.00 -2.29 0.03 0.00 -0.00 0.00 0.00 35.03 32.77 1pqs n LYS 815 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1pqs n ILE 816 N -0.23 1.48 -4.54 0.58 -0.00 -1.23 -4.81 119.36 110.61 1pqs n ILE 816 Ca 0.36 -0.50 -0.24 0.00 -0.00 0.00 0.00 62.75 62.37 1pqs n ILE 816 Cb 0.38 -0.45 -0.14 0.00 -0.00 0.00 0.00 39.64 39.43 1pqs n ILE 816 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1pqs s LYS 817 N -1.74 1.23 0.05 6.28 2.20 -0.97 -2.73 119.74 124.06 1pqs s LYS 817 Ca 0.64 -0.87 0.07 0.00 -0.36 0.00 0.00 55.97 55.45 1pqs s LYS 817 Cb -0.46 -1.31 -0.03 0.00 -1.51 0.00 0.00 37.83 34.53 1pqs s LYS 817 CO 0.59 0.33 -0.19 1.52 -0.36 0.00 0.00 175.35 177.24 1pqs s TYR 818 N -0.81 1.63 0.04 4.03 -0.85 0.24 -0.39 117.35 121.24 1pqs s TYR 818 Ca 0.05 -0.38 0.06 0.00 -0.52 0.00 0.00 57.07 56.29 1pqs s TYR 818 Cb -0.08 -0.95 -0.02 0.00 0.38 0.00 0.00 41.96 41.28 1pqs s TYR 818 CO 0.02 0.09 -0.17 -1.14 -1.52 0.00 0.00 175.55 172.83 1pqs s GLN 819 N -1.29 1.13 -0.03 -3.49 0.74 0.27 -0.57 119.66 116.42 1pqs s GLN 819 Ca 0.05 -0.83 0.05 0.00 0.05 0.00 0.00 55.36 54.67 1pqs s GLN 819 Cb -0.09 -1.18 -0.01 0.00 1.10 0.00 0.00 33.01 32.83 1pqs s GLN 819 CO 0.02 0.30 -0.17 0.16 -0.55 0.00 0.00 175.29 175.05 1pqs s ASP 820 N -1.15 2.04 -1.52 6.67 1.47 -0.94 0.12 116.67 123.35 1pqs s ASP 820 Ca 0.04 -0.32 0.00 0.00 1.18 0.00 0.00 52.55 53.45 1pqs s ASP 820 Cb -0.08 -0.42 0.00 0.00 -0.34 0.00 0.00 42.92 42.08 1pqs s ASP 820 CO 0.01 0.17 0.00 -0.62 0.68 0.00 0.00 175.17 175.42 1pqs n GLU 821 N 2.95 -1.68 -3.64 2.11 1.02 -1.15 -2.15 120.64 118.10 1pqs n GLU 821 Ca -0.17 0.86 -0.21 0.00 -0.02 0.00 0.00 57.16 57.62 1pqs n GLU 821 Cb 0.53 -5.32 0.04 0.00 -0.02 0.00 0.00 31.44 26.67 1pqs n GLU 821 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1pqs n ASP 822 N -1.37 -2.05 0.00 1.62 2.03 -1.26 -4.82 116.55 110.70 1pqs n ASP 822 Ca -0.17 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.32 1pqs n ASP 822 Cb 0.59 -4.17 0.00 0.00 -0.72 0.00 0.00 41.12 36.81 1pqs n ASP 822 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pqs n GLY 823 N -1.52 0.00 3.22 0.27 0.00 -0.92 -5.15 105.19 101.10 1pqs n GLY 823 Ca -0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1pqs n GLY 823 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pqs s ASP 824 N -0.54 2.18 -0.07 1.61 2.15 -1.15 -4.98 116.67 115.87 1pqs s ASP 824 Ca 0.00 -0.57 0.03 0.00 0.43 0.00 0.00 52.55 52.44 1pqs s ASP 824 Cb 0.00 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 1pqs s ASP 824 CO 0.00 0.06 -0.18 -0.36 -0.17 0.00 0.00 175.17 174.52 1pqs s PHE 825 N -1.00 1.92 -0.01 -5.34 0.40 -1.26 -2.21 117.98 110.47 1pqs s PHE 825 Ca 0.04 -0.71 -0.08 0.00 -0.60 0.00 0.00 56.93 55.59 1pqs s PHE 825 Cb -0.09 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1pqs s PHE 825 CO 0.03 -0.30 0.16 0.08 0.70 0.00 0.00 175.22 175.88 1pqs s VAL 826 N 0.40 0.07 -0.02 -0.44 1.01 0.27 -5.00 120.40 116.69 1pqs s VAL 826 Ca -0.14 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1pqs s VAL 826 Cb -0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1pqs s VAL 826 CO 0.05 -0.31 -0.21 0.54 0.00 0.00 0.00 175.10 175.16 1pqs s VAL 827 N -1.16 1.69 0.22 2.92 0.11 -1.26 0.82 120.40 123.75 1pqs s VAL 827 Ca -0.12 -0.91 0.06 0.00 -2.93 0.00 0.00 61.98 58.07 1pqs s VAL 827 Cb -0.06 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 1pqs s VAL 827 CO 0.02 0.48 -0.08 -1.48 -3.33 0.00 0.00 175.10 170.70 1pqs s LEU 828 N -0.48 2.45 0.00 2.54 0.05 -1.11 -4.90 118.68 117.24 1pqs s LEU 828 Ca 0.08 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.14 1pqs s LEU 828 Cb -0.08 -0.52 0.00 0.00 -2.05 0.00 0.00 46.19 43.54 1pqs s LEU 828 CO -0.01 -0.33 0.00 0.61 -0.55 0.00 0.00 176.35 176.08 1pqs n GLY 829 N -0.42 0.68 0.00 -3.48 0.00 -1.26 -4.41 105.19 96.30 1pqs n GLY 829 Ca -0.07 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1pqs n GLY 829 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pqs n SER 830 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.87 113.62 116.74 1pqs n SER 830 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1pqs n SER 830 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1pqs n SER 830 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pqs n ASP 831 N -1.41 0.00 -0.35 6.43 2.03 -1.26 -4.65 116.55 117.34 1pqs n ASP 831 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1pqs n ASP 831 Cb 0.19 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.73 1pqs n ASP 831 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1pqs h GLU 832 N 0.00 1.11 -0.65 -0.67 4.39 -1.99 0.31 114.58 117.08 1pqs h GLU 832 Ca 0.00 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1pqs h GLU 832 Cb 0.00 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 28.35 1pqs h GLU 832 CO 0.00 0.74 0.39 -0.44 -1.16 0.00 0.00 179.01 178.54 1pqs h ASP 833 N 1.15 0.63 -0.45 1.42 3.32 -1.91 -1.06 116.42 119.51 1pqs h ASP 833 Ca 0.39 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 1pqs h ASP 833 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1pqs h ASP 833 CO -0.14 0.43 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.49 1pqs h TRP 834 N 0.76 0.93 -0.47 4.55 -0.00 -1.43 -1.49 115.95 118.81 1pqs h TRP 834 Ca 0.27 -0.18 0.03 0.00 -0.00 0.00 0.00 58.89 59.00 1pqs h TRP 834 Cb 0.06 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 28.95 1pqs h TRP 834 CO -0.06 0.92 0.26 -0.91 -0.00 0.00 0.00 178.44 178.65 1pqs h ASN 835 N 0.68 0.41 -0.24 2.65 2.35 0.22 0.18 115.58 121.83 1pqs h ASN 835 Ca 0.12 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1pqs h ASN 835 Cb 0.59 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1pqs h ASN 835 CO 0.04 0.29 -0.17 -0.37 -1.65 0.00 0.00 177.43 175.56 1pqs h VAL 836 N 0.52 1.26 -0.25 2.81 -1.51 -1.15 -1.11 116.25 116.83 1pqs h VAL 836 Ca 0.19 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1pqs h VAL 836 Cb 0.05 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 1pqs h VAL 836 CO -0.11 0.41 0.16 0.00 -1.23 0.00 0.00 177.57 176.80 1pqs h ALA 837 N 1.20 0.31 -0.58 5.19 0.00 -0.38 0.12 119.26 125.13 1pqs h ALA 837 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1pqs h ALA 837 Cb 0.64 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1pqs h ALA 837 CO 0.04 -0.20 0.37 0.87 0.00 0.00 0.00 179.25 180.33 1pqs h LYS 838 N 0.33 0.72 -0.18 0.00 1.57 -0.36 0.89 116.57 119.53 1pqs h LYS 838 Ca 0.09 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1pqs h LYS 838 Cb -0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1pqs h LYS 838 CO -0.02 0.48 -0.03 0.93 -0.57 0.00 0.00 179.45 180.23 1pqs h GLU 839 N 0.74 0.01 -0.17 3.15 4.39 -0.86 0.81 114.58 122.65 1pqs h GLU 839 Ca 0.22 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.97 1pqs h GLU 839 Cb -0.04 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1pqs h GLU 839 CO -0.07 0.01 -0.16 1.98 -1.16 0.00 0.00 179.01 179.61 1pqs h MET 840 N 0.01 -0.18 -0.66 2.33 4.05 -0.06 0.30 114.93 120.72 1pqs h MET 840 Ca 0.09 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1pqs h MET 840 Cb 0.13 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1pqs h MET 840 CO -0.18 -0.12 0.42 -0.07 0.23 0.00 0.00 176.91 177.19 1pqs h LEU 841 N -0.19 0.77 -0.04 3.39 3.38 -0.50 -0.52 115.31 121.60 1pqs h LEU 841 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1pqs h LEU 841 Cb 0.35 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pqs h LEU 841 CO -0.28 0.58 -0.01 0.00 0.09 0.00 0.00 178.44 178.82 1pqs h ALA 842 N 1.23 0.05 -0.45 1.53 0.00 -0.11 0.23 119.26 121.74 1pqs h ALA 842 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1pqs h ALA 842 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1pqs h ALA 842 CO -0.05 -0.24 0.14 0.93 0.00 0.00 0.00 179.25 180.03 1pqs h GLU 843 N -0.28 0.69 -0.29 0.00 5.08 -0.38 -2.53 114.58 116.87 1pqs h GLU 843 Ca 0.01 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1pqs h GLU 843 Cb 0.40 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1pqs h GLU 843 CO 0.00 0.66 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.64 1pqs h ASN 844 N 0.58 0.47 -0.39 1.42 2.35 -1.11 -3.46 115.58 115.44 1pqs h ASN 844 Ca 0.14 -0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.61 1pqs h ASN 844 Cb 0.26 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.44 1pqs h ASN 844 CO -0.01 0.63 -0.15 0.59 -1.65 0.00 0.00 177.43 176.85 1pqs n ASN 845 N -4.20 -3.97 -0.09 5.81 3.02 0.77 -4.89 115.26 111.71 1pqs n ASN 845 Ca 0.01 0.20 -0.23 0.00 -0.03 0.00 0.00 54.58 54.53 1pqs n ASN 845 Cb 0.32 -2.19 -0.12 0.00 -0.61 0.00 0.00 39.78 37.18 1pqs n ASN 845 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pqs n GLU 846 N -2.76 0.64 0.00 3.52 4.07 -0.98 -4.96 120.64 120.18 1pqs n GLU 846 Ca -0.08 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1pqs n GLU 846 Cb 0.27 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 1pqs n GLU 846 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1pqs n LYS 847 N -3.91 0.00 -1.75 5.31 4.81 -1.20 -4.93 118.16 116.48 1pqs n LYS 847 Ca -0.40 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.62 1pqs n LYS 847 Cb 0.89 -2.40 -0.03 0.00 0.02 0.00 0.00 35.03 33.50 1pqs n LYS 847 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1pqs s PHE 848 N -0.56 2.10 -0.01 5.64 5.36 -1.26 -4.01 117.98 125.24 1pqs s PHE 848 Ca 0.00 -0.00 0.05 0.00 -0.96 0.00 0.00 56.93 56.01 1pqs s PHE 848 Cb 0.00 -4.14 -0.01 0.00 -0.34 0.00 0.00 43.02 38.52 1pqs s PHE 848 CO 0.00 -4.75 -0.15 -1.17 -1.46 0.00 0.00 175.22 167.69 1pqs s LEU 849 N 2.92 2.04 0.05 6.12 2.96 -0.59 -2.92 118.68 129.26 1pqs s LEU 849 Ca 0.80 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.48 1pqs s LEU 849 Cb -0.44 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1pqs s LEU 849 CO 0.36 0.18 -0.16 0.20 -1.32 0.00 0.00 176.35 175.61 1pqs s ASN 850 N -0.42 1.93 -0.09 3.68 -0.87 0.12 -0.37 114.94 118.92 1pqs s ASN 850 Ca 0.06 -0.50 0.02 0.00 -1.57 0.00 0.00 52.86 50.87 1pqs s ASN 850 Cb -0.06 -0.13 0.01 0.00 -0.02 0.00 0.00 41.25 41.05 1pqs s ASN 850 CO -0.00 0.06 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.82 1pqs s ILE 851 N -0.88 1.34 -0.18 0.60 -1.09 0.19 0.96 121.20 122.13 1pqs s ILE 851 Ca 0.03 -0.57 -0.06 0.00 -2.23 0.00 0.00 60.65 57.83 1pqs s ILE 851 Cb -0.08 -1.22 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 1pqs s ILE 851 CO 0.02 0.40 0.01 -0.60 -1.23 0.00 0.00 174.94 173.54 1pqs s ARG 852 N 0.81 3.75 -0.12 2.79 3.52 0.48 -0.59 118.95 129.59 1pqs s ARG 852 Ca -0.11 -0.46 -0.05 0.00 -0.13 0.00 0.00 55.73 54.98 1pqs s ARG 852 Cb -0.15 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1pqs s ARG 852 CO 0.02 0.15 0.07 -0.51 -0.81 0.00 0.00 175.30 174.21 1pqs s LEU 853 N 0.65 3.93 0.00 -0.88 2.01 -1.14 -2.29 118.68 120.95 1pqs s LEU 853 Ca 0.00 0.25 0.00 0.00 0.01 0.00 0.00 54.13 54.39 1pqs s LEU 853 Cb -0.14 -1.94 0.00 0.00 0.01 0.00 0.00 46.19 44.12 1pqs s LEU 853 CO 0.02 0.35 0.00 0.00 1.01 0.00 0.00 176.35 177.73