#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avz n PRO 75 N 0.00 0.09 -1.89 7.34 -0.02 -1.26 -4.32 135.00 134.94 1avz n PRO 75 Ca 0.00 0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.08 1avz n PRO 75 Cb 0.00 -1.06 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 1avz n PRO 75 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1avz s LEU 76 N 2.98 3.75 0.22 2.45 2.96 -1.26 -4.61 118.68 125.17 1avz s LEU 76 Ca 0.63 1.76 0.09 0.00 -0.22 0.00 0.00 54.13 56.39 1avz s LEU 76 Cb -0.88 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.24 1avz s LEU 76 CO 0.57 -1.53 -0.05 0.00 -1.32 0.00 0.00 176.35 174.02 1avz s ARG 77 N 5.33 2.18 -0.08 1.98 1.70 -0.36 -5.02 118.95 124.68 1avz s ARG 77 Ca 0.84 -1.33 -0.27 0.00 -0.47 0.00 0.00 55.73 54.50 1avz s ARG 77 Cb -0.29 -2.17 -0.03 0.00 -0.57 0.00 0.00 34.95 31.90 1avz s ARG 77 CO 0.34 0.40 0.86 -1.25 -1.08 0.00 0.00 175.30 174.57 1avz s PRO 78 N -3.21 4.43 -0.67 3.89 0.04 -1.26 -3.89 135.00 134.32 1avz s PRO 78 Ca 0.28 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 1avz s PRO 78 Cb -0.08 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1avz s PRO 78 CO 0.17 -0.12 1.98 1.41 0.04 0.00 0.00 177.00 180.48 1avz s MET 79 N 1.38 2.49 0.46 4.56 1.75 -1.26 -4.95 119.30 123.73 1avz s MET 79 Ca 0.43 0.50 0.07 0.00 -1.25 0.00 0.00 55.69 55.44 1avz s MET 79 Cb -0.18 -4.59 0.02 0.00 2.84 0.00 0.00 34.83 32.92 1avz s MET 79 CO 0.19 -3.03 0.64 0.95 -0.65 0.00 0.00 175.02 173.12 1avz s THR 80 N 9.98 2.83 0.18 10.11 -4.23 -1.26 -4.92 115.64 128.34 1avz s THR 80 Ca 0.73 -0.94 -0.13 0.00 -1.18 0.00 0.00 61.69 60.17 1avz s THR 80 Cb -0.12 -2.89 0.09 0.00 1.34 0.00 0.00 72.50 70.92 1avz s THR 80 CO 0.16 0.00 1.76 0.22 -0.54 0.00 0.00 174.62 176.21 1avz h TYR 81 N 0.47 0.35 -0.75 3.99 3.20 -1.93 0.23 116.97 122.52 1avz h TYR 81 Ca -0.39 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.47 1avz h TYR 81 Cb 1.28 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1avz h TYR 81 CO 0.39 0.13 0.35 1.57 -1.64 0.00 0.00 178.16 178.95 1avz h LYS 82 N 0.38 1.09 -0.50 1.82 2.10 -1.95 -0.42 116.57 119.10 1avz h LYS 82 Ca 0.24 -0.17 -0.11 0.00 -2.00 0.00 0.00 60.65 58.61 1avz h LYS 82 Cb 0.24 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 1avz h LYS 82 CO -0.23 0.86 -0.13 0.00 -2.00 0.00 0.00 179.45 177.95 1avz h ALA 83 N 1.18 0.83 -0.21 0.07 0.00 -1.75 -1.00 119.26 118.36 1avz h ALA 83 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1avz h ALA 83 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1avz h ALA 83 CO -0.03 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.98 1avz h ALA 84 N 1.00 0.27 0.42 0.00 0.00 -0.01 -1.91 119.26 119.03 1avz h ALA 84 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1avz h ALA 84 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1avz h ALA 84 CO 0.05 -0.17 -0.20 0.28 0.00 0.00 0.00 179.25 179.20 1avz h VAL 85 N 0.21 0.59 -0.92 0.00 2.07 -0.47 -0.67 116.25 117.05 1avz h VAL 85 Ca 0.07 -0.12 0.17 0.00 0.82 0.00 0.00 66.70 67.64 1avz h VAL 85 Cb 0.11 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1avz h VAL 85 CO -0.01 0.02 0.59 0.44 0.02 0.00 0.00 177.57 178.63 1avz h ASP 86 N -0.63 0.63 -0.13 0.57 3.32 -1.13 -0.67 116.42 118.38 1avz h ASP 86 Ca -0.06 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1avz h ASP 86 Cb 0.47 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1avz h ASP 86 CO 0.09 0.28 -0.05 0.25 -1.72 0.00 0.00 179.24 178.10 1avz h LEU 87 N 0.64 0.28 -1.50 1.55 5.85 -1.10 -1.88 115.31 119.15 1avz h LEU 87 Ca 0.48 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1avz h LEU 87 Cb 0.86 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1avz h LEU 87 CO -0.23 0.61 0.30 0.28 -0.34 0.00 0.00 178.44 179.05 1avz h SER 88 N -0.06 0.55 -0.36 1.25 0.02 0.31 -1.32 113.55 113.94 1avz h SER 88 Ca 0.03 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1avz h SER 88 Cb 0.49 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1avz h SER 88 CO 0.02 0.42 -0.17 0.45 -1.14 0.00 0.00 176.83 176.40 1avz h HIS 89 N 0.64 0.87 0.50 3.45 3.86 -1.11 -2.54 115.15 120.82 1avz h HIS 89 Ca 0.17 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1avz h HIS 89 Cb -0.04 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1avz h HIS 89 CO 0.00 0.94 -0.35 0.35 0.86 0.00 0.00 177.93 179.73 1avz h PHE 90 N 0.55 -0.96 0.00 2.45 3.57 -0.49 -0.18 116.94 121.87 1avz h PHE 90 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1avz h PHE 90 Cb 0.71 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1avz h PHE 90 CO 0.06 -0.51 0.00 1.28 -2.23 0.00 0.00 178.31 176.91 1avz n LEU 91 N -4.58 0.24 -0.04 0.59 4.77 -0.58 -0.85 117.00 116.55 1avz n LEU 91 Ca -0.10 0.60 -0.19 0.00 -0.03 0.00 0.00 56.01 56.30 1avz n LEU 91 Cb 0.35 -0.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 1avz n LEU 91 CO 0.23 -0.64 -0.94 1.17 -1.33 0.00 0.00 177.39 175.87 1avz n LYS 92 N -1.82 0.71 -0.01 3.23 3.00 -0.96 -3.00 118.16 119.33 1avz n LYS 92 Ca -0.00 0.22 -0.12 0.00 -0.00 0.00 0.00 58.31 58.41 1avz n LYS 92 Cb 0.04 -1.66 -0.07 0.00 0.00 0.00 0.00 35.03 33.34 1avz n LYS 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1avz h GLU 93 N 0.04 0.09 -0.82 1.64 5.08 0.89 -2.98 114.58 118.52 1avz h GLU 93 Ca -0.46 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1avz h GLU 93 Cb 2.01 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.21 1avz h GLU 93 CO 0.04 0.31 0.46 -0.22 -1.00 0.00 0.00 179.01 178.60 1avz h LYS 94 N -0.14 1.14 0.00 2.33 3.64 -1.18 -3.49 116.57 118.87 1avz h LYS 94 Ca 0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1avz h LYS 94 Cb 0.26 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1avz h LYS 94 CO 0.00 0.82 0.00 0.41 -2.27 0.00 0.00 179.45 178.41 1avz n GLY 95 N -1.20 -1.34 0.00 5.01 0.00 -1.13 -5.01 105.19 101.52 1avz n GLY 95 Ca 0.09 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1avz n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avz n GLY 96 N -1.62 2.52 0.28 -0.02 0.00 -1.26 -4.75 105.19 100.33 1avz n GLY 96 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1avz n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1avz h LEU 97 N 0.00 0.27 -9.20 0.99 5.85 -1.95 -3.32 115.31 107.95 1avz h LEU 97 Ca 0.00 -0.02 -0.55 0.00 0.84 0.00 0.00 57.88 58.15 1avz h LEU 97 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1avz h LEU 97 CO 0.00 0.24 1.11 -0.70 -0.34 0.00 0.00 178.44 178.75 1avz s GLU 98 N -5.20 4.05 0.00 1.25 2.56 -1.26 -2.29 118.70 117.81 1avz s GLU 98 Ca -0.07 2.05 0.00 0.00 0.00 0.00 0.00 54.97 56.95 1avz s GLU 98 Cb 0.17 -4.01 0.00 0.00 2.00 0.00 0.00 34.13 32.29 1avz s GLU 98 CO 0.71 -0.99 0.00 0.41 -0.56 0.00 0.00 175.26 174.83 1avz n GLY 99 N 4.30 3.28 3.75 -1.50 0.00 0.16 -5.01 105.19 110.17 1avz n GLY 99 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1avz n GLY 99 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1avz n LEU 100 N 0.00 4.40 -4.77 0.99 7.94 -0.97 -4.63 117.00 119.96 1avz n LEU 100 Ca 0.00 1.18 -0.37 0.00 -1.11 0.00 0.00 56.01 55.70 1avz n LEU 100 Cb 0.00 -1.59 -0.01 0.00 0.53 0.00 0.00 43.42 42.35 1avz n LEU 100 CO 0.00 0.09 0.82 -0.63 -1.11 0.00 0.00 177.39 176.56 1avz s ILE 101 N -0.42 3.16 0.07 1.96 1.09 -1.26 -0.18 121.20 125.63 1avz s ILE 101 Ca 0.60 0.89 -0.10 0.00 -1.10 0.00 0.00 60.65 60.94 1avz s ILE 101 Cb -0.50 -3.46 -0.06 0.00 -1.06 0.00 0.00 42.46 37.39 1avz s ILE 101 CO 0.54 -0.00 0.39 -2.28 -0.10 0.00 0.00 174.94 173.49 1avz s HIS 102 N -1.54 3.59 -0.20 3.97 2.46 0.37 -4.80 115.29 119.14 1avz s HIS 102 Ca 0.62 0.79 -0.26 0.00 0.47 0.00 0.00 55.06 56.68 1avz s HIS 102 Cb -0.28 -2.16 0.07 0.00 -0.13 0.00 0.00 32.58 30.08 1avz s HIS 102 CO 0.34 0.53 0.68 -1.54 -2.47 0.00 0.00 174.74 172.29 1avz s SER 103 N -1.71 -0.69 0.26 9.88 1.04 -1.26 -4.67 113.70 116.54 1avz s SER 103 Ca 0.32 1.19 -0.02 0.00 0.48 0.00 0.00 55.95 57.92 1avz s SER 103 Cb -0.14 1.17 0.47 0.00 0.10 0.00 0.00 66.02 67.62 1avz s SER 103 CO 0.18 -0.34 1.79 1.56 0.98 0.00 0.00 173.24 177.41 1avz h GLN 104 N 4.51 0.73 -0.30 4.02 1.08 -1.98 0.43 115.11 123.59 1avz h GLN 104 Ca -0.28 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 56.89 1avz h GLN 104 Cb 1.16 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 1avz h GLN 104 CO 0.16 0.48 0.20 -0.09 -0.95 0.00 0.00 178.83 178.63 1avz h ARG 105 N 0.75 0.35 0.05 1.46 9.65 -1.98 0.18 114.38 124.84 1avz h ARG 105 Ca 0.44 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 59.19 1avz h ARG 105 Cb 0.50 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1avz h ARG 105 CO -0.30 0.23 -0.43 0.00 2.80 0.00 0.00 179.97 182.27 1avz h ARG 106 N 0.36 0.20 -0.50 0.20 3.08 -1.40 -0.83 114.38 115.47 1avz h ARG 106 Ca 0.12 -0.29 0.11 0.00 0.07 0.00 0.00 59.98 59.99 1avz h ARG 106 Cb 0.03 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1avz h ARG 106 CO -0.03 1.08 0.34 0.37 -1.07 0.00 0.00 179.97 180.67 1avz h GLN 107 N -0.55 0.20 -0.01 0.04 4.15 -0.58 0.12 115.11 118.49 1avz h GLN 107 Ca -0.07 -0.01 -0.21 0.00 0.77 0.00 0.00 58.65 59.12 1avz h GLN 107 Cb 1.28 -0.05 0.02 0.00 0.21 0.00 0.00 27.48 28.94 1avz h GLN 107 CO 0.08 0.14 -0.82 -0.44 -1.93 0.00 0.00 178.83 175.85 1avz h ASP 108 N 0.21 0.75 -0.35 -0.69 5.19 -0.60 -2.29 116.42 118.64 1avz h ASP 108 Ca 0.23 -0.74 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 1avz h ASP 108 Cb 0.65 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 1avz h ASP 108 CO -0.04 1.39 0.17 0.40 -3.12 0.00 0.00 179.24 178.04 1avz h ILE 109 N 0.19 1.14 -0.09 0.35 2.04 0.48 -1.26 117.51 120.36 1avz h ILE 109 Ca -0.10 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1avz h ILE 109 Cb 1.50 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1avz h ILE 109 CO 0.16 0.17 -0.10 0.25 0.00 0.00 0.00 178.15 178.63 1avz h LEU 110 N 0.55 0.25 -0.82 1.44 6.46 -0.82 -0.21 115.31 122.16 1avz h LEU 110 Ca 0.14 -0.49 0.09 0.00 -0.12 0.00 0.00 57.88 57.49 1avz h LEU 110 Cb 0.08 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 39.87 1avz h LEU 110 CO -0.02 0.69 0.47 0.44 -0.62 0.00 0.00 178.44 179.40 1avz h ASP 111 N -0.19 0.68 -0.11 1.25 5.19 -0.87 -1.66 116.42 120.70 1avz h ASP 111 Ca 0.01 0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.34 1avz h ASP 111 Cb 0.62 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1avz h ASP 111 CO 0.02 0.39 -0.42 -0.07 -3.12 0.00 0.00 179.24 176.05 1avz h LEU 112 N 0.80 0.56 -0.66 1.55 3.38 -1.22 -2.28 115.31 117.44 1avz h LEU 112 Ca 0.39 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1avz h LEU 112 Cb 0.33 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1avz h LEU 112 CO -0.24 1.09 0.33 -0.25 0.09 0.00 0.00 178.44 179.46 1avz h TRP 113 N 0.07 0.60 -0.36 1.13 7.01 -0.49 0.15 115.95 124.06 1avz h TRP 113 Ca -0.02 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.86 1avz h TRP 113 Cb 1.05 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1avz h TRP 113 CO 0.11 0.25 -0.35 0.82 -2.79 0.00 0.00 178.44 176.48 1avz h ILE 114 N 0.60 1.28 -0.46 2.65 1.08 -1.40 -2.05 117.51 119.20 1avz h ILE 114 Ca 0.31 -1.52 -0.05 0.00 -0.39 0.00 0.00 64.86 63.22 1avz h ILE 114 Cb 0.27 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1avz h ILE 114 CO -0.23 0.50 0.10 0.22 -0.69 0.00 0.00 178.15 178.05 1avz h TYR 115 N 0.69 0.72 -0.01 1.37 3.20 -0.60 0.86 116.97 123.19 1avz h TYR 115 Ca 0.07 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1avz h TYR 115 Cb 0.91 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.97 1avz h TYR 115 CO 0.05 0.62 -0.35 0.45 -1.64 0.00 0.00 178.16 177.30 1avz h HIS 116 N 0.68 0.37 0.15 -3.82 3.86 -0.64 -2.85 115.15 112.89 1avz h HIS 116 Ca 0.15 -0.19 -0.24 0.00 -1.16 0.00 0.00 60.37 58.92 1avz h HIS 116 Cb 0.28 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.72 1avz h HIS 116 CO 0.01 0.99 -1.15 1.79 0.86 0.00 0.00 177.93 180.43 1avz h THR 117 N -0.36 1.29 0.06 2.45 1.35 -1.27 -3.41 112.91 113.02 1avz h THR 117 Ca -0.04 -2.51 -0.35 0.00 -0.55 0.00 0.00 66.41 62.96 1avz h THR 117 Cb 1.08 2.99 -0.04 0.00 -1.73 0.00 0.00 68.15 70.46 1avz h THR 117 CO 0.07 0.73 -1.94 0.00 -0.25 0.00 0.00 175.52 174.12 1avz n GLN 118 N -3.98 0.68 0.00 4.72 1.13 0.29 -4.85 117.38 115.37 1avz n GLN 118 Ca -0.19 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1avz n GLN 118 Cb 0.90 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.58 1avz n GLN 118 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1avz n GLY 119 N 1.82 1.18 3.61 1.08 0.00 -0.86 -4.65 105.19 107.37 1avz n GLY 119 Ca -0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1avz n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1avz s TYR 120 N -2.00 3.19 0.07 1.61 2.02 -1.26 -1.22 117.35 119.76 1avz s TYR 120 Ca 0.00 0.80 -0.35 0.00 -0.37 0.00 0.00 57.07 57.15 1avz s TYR 120 Cb 0.00 -3.26 -0.15 0.00 -0.40 0.00 0.00 41.96 38.15 1avz s TYR 120 CO 0.00 -0.60 1.56 0.34 -1.57 0.00 0.00 175.55 175.28 1avz n PHE 121 N 6.26 2.04 0.00 2.71 7.35 -1.25 -4.24 117.46 130.33 1avz n PHE 121 Ca 0.04 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1avz n PHE 121 Cb 0.48 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.82 1avz n PHE 121 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1avz n PRO 122 N 3.72 0.00 -1.01 -7.13 -0.02 -1.26 -4.04 135.00 125.26 1avz n PRO 122 Ca 0.19 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.71 1avz n PRO 122 Cb 0.25 -1.20 0.07 0.00 -0.02 0.00 0.00 33.50 32.59 1avz n PRO 122 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1avz n ASP 123 N 2.07 1.06 -0.00 2.55 5.75 -1.26 -4.84 116.55 121.87 1avz n ASP 123 Ca 0.00 -2.48 0.04 0.00 -0.01 0.00 0.00 54.79 52.33 1avz n ASP 123 Cb 0.00 -0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 39.69 1avz n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1avz n TRP 124 N -0.08 0.00 -2.46 2.11 4.27 -1.26 -4.81 117.44 115.21 1avz n TRP 124 Ca 0.08 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.27 1avz n TRP 124 Cb 0.93 -0.17 0.01 0.00 -1.36 0.00 0.00 31.31 30.71 1avz n TRP 124 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 1avz n GLN 125 N -1.76 4.09 -3.86 -2.67 7.27 -1.26 -4.33 117.38 114.86 1avz n GLN 125 Ca -0.01 -3.84 -0.36 0.00 0.07 0.00 0.00 57.00 52.86 1avz n GLN 125 Cb 0.20 -2.75 -0.13 0.00 2.41 0.00 0.00 30.24 29.97 1avz n GLN 125 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1avz s ASN 126 N -0.02 5.03 1.00 1.69 0.02 -1.26 -5.02 114.94 116.38 1avz s ASN 126 Ca 0.40 -1.33 -0.02 0.00 -1.02 0.00 0.00 52.86 50.89 1avz s ASN 126 Cb 0.10 -1.76 0.03 0.00 0.02 0.00 0.00 41.25 39.64 1avz s ASN 126 CO 0.01 -0.31 0.17 -1.22 0.02 0.00 0.00 177.10 175.77 1avz n TYR 127 N 4.66 -3.98 -4.14 2.20 4.01 -1.26 -0.21 117.16 118.45 1avz n TYR 127 Ca -0.12 -0.15 -0.26 0.00 -0.16 0.00 0.00 57.90 57.22 1avz n TYR 127 Cb 0.43 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 1avz n TYR 127 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1avz s THR 128 N -1.36 4.14 0.27 -0.72 -4.23 -0.77 -4.66 115.64 108.31 1avz s THR 128 Ca 0.09 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.05 1avz s THR 128 Cb -0.00 -3.11 -0.11 0.00 1.34 0.00 0.00 72.50 70.62 1avz s THR 128 CO 0.07 -0.12 1.53 -2.16 -0.54 0.00 0.00 174.62 173.40 1avz s PRO 129 N -3.07 4.18 0.00 3.99 0.04 -1.26 -4.65 135.00 134.23 1avz s PRO 129 Ca 0.30 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1avz s PRO 129 Cb -0.10 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1avz s PRO 129 CO 0.21 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1avz n GLY 130 N 2.23 -1.39 3.88 0.56 0.00 -1.26 -4.92 105.19 104.28 1avz n GLY 130 Ca 0.08 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1avz n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1avz s PRO 131 N 0.00 1.99 0.00 1.61 0.04 -1.26 -5.09 135.00 132.29 1avz s PRO 131 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1avz s PRO 131 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1avz s PRO 131 CO 0.00 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.86 1avz n GLY 132 N -3.09 -0.84 3.75 0.56 0.00 -1.26 -4.97 105.19 99.33 1avz n GLY 132 Ca 0.08 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1avz n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1avz s VAL 133 N 0.00 3.21 -0.65 1.61 1.01 -1.26 -4.58 120.40 119.74 1avz s VAL 133 Ca 0.00 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1avz s VAL 133 Cb 0.00 -3.69 0.17 0.00 0.00 0.00 0.00 36.38 32.86 1avz s VAL 133 CO 0.00 0.20 0.58 -0.13 0.00 0.00 0.00 175.10 175.75 1avz s ARG 134 N -0.72 3.13 0.16 2.72 3.00 0.33 -4.85 118.95 122.72 1avz s ARG 134 Ca 0.52 -2.07 -0.30 0.00 0.00 0.00 0.00 55.73 53.88 1avz s ARG 134 Cb -0.36 -4.26 -0.07 0.00 0.00 0.00 0.00 34.95 30.26 1avz s ARG 134 CO 0.42 -1.29 1.00 0.71 0.00 0.00 0.00 175.30 176.14 1avz s TYR 135 N 0.89 3.79 0.46 -0.53 2.02 -1.26 -1.64 117.35 121.07 1avz s TYR 135 Ca 0.10 1.77 -0.24 0.00 -0.37 0.00 0.00 57.07 58.33 1avz s TYR 135 Cb -0.21 -3.10 -0.07 0.00 -0.40 0.00 0.00 41.96 38.17 1avz s TYR 135 CO -0.03 0.03 1.28 -1.25 -1.57 0.00 0.00 175.55 174.01 1avz s PRO 136 N -0.38 3.70 0.18 -1.71 0.04 -1.25 -1.85 135.00 133.72 1avz s PRO 136 Ca 0.46 2.07 0.17 0.00 0.04 0.00 0.00 61.00 63.75 1avz s PRO 136 Cb -0.26 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 1avz s PRO 136 CO 0.32 -0.69 1.13 -0.07 0.04 0.00 0.00 177.00 177.73 1avz h LEU 137 N 2.20 0.00 -8.68 -3.56 3.38 -0.86 -3.40 115.31 104.39 1avz h LEU 137 Ca -0.50 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.91 1avz h LEU 137 Cb 1.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1avz h LEU 137 CO 0.61 0.45 0.92 -0.89 0.09 0.00 0.00 178.44 179.62 1avz s THR 138 N -3.01 4.17 -0.02 0.22 2.01 -1.26 -4.97 115.64 112.79 1avz s THR 138 Ca 0.01 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.83 1avz s THR 138 Cb 0.08 -4.63 -0.08 0.00 0.01 0.00 0.00 72.50 67.88 1avz s THR 138 CO 0.78 -1.09 1.97 0.12 -0.69 0.00 0.00 174.62 175.70 1avz s PHE 139 N 4.55 1.35 0.00 4.92 5.36 -1.26 -1.60 117.98 131.30 1avz s PHE 139 Ca 0.46 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 1avz s PHE 139 Cb -0.07 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.44 1avz s PHE 139 CO 0.30 -5.14 0.00 0.41 -1.46 0.00 0.00 175.22 169.34 1avz n GLY 140 N 4.69 1.98 3.56 13.12 0.00 -1.26 -4.45 105.19 122.82 1avz n GLY 140 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1avz n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1avz s TRP 141 N -1.87 2.89 -0.23 1.61 -0.00 -0.63 -2.02 118.94 118.69 1avz s TRP 141 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 1avz s TRP 141 Cb 0.00 -4.01 0.21 0.00 -0.00 0.00 0.00 33.47 29.67 1avz s TRP 141 CO 0.00 -1.15 1.75 0.00 -0.00 0.00 0.00 176.95 177.56 1avz s TYR 143 N -1.43 2.12 0.10 0.00 2.02 -1.26 -1.22 117.35 117.68 1avz s TYR 143 Ca 0.24 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.51 1avz s TYR 143 Cb 0.20 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1avz s TYR 143 CO 0.02 0.22 0.10 -1.59 -1.57 0.00 0.00 175.55 172.72 1avz s LYS 144 N -1.70 0.86 -0.25 -0.62 -2.85 -0.82 -3.93 119.74 110.43 1avz s LYS 144 Ca 0.11 -1.24 -0.08 0.00 -1.00 0.00 0.00 55.97 53.77 1avz s LYS 144 Cb -0.10 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1avz s LYS 144 CO 0.04 -0.25 0.08 -0.51 0.10 0.00 0.00 175.35 174.81 1avz s LEU 145 N -2.96 3.49 -0.18 2.77 1.43 -0.65 -1.23 118.68 121.35 1avz s LEU 145 Ca 0.14 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1avz s LEU 145 Cb 0.06 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1avz s LEU 145 CO -0.04 -0.02 -0.02 -0.69 0.23 0.00 0.00 176.35 175.81 1avz s VAL 146 N 1.54 3.88 0.04 -1.59 1.01 -0.51 -0.51 120.40 124.25 1avz s VAL 146 Ca 0.06 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1avz s VAL 146 Cb -0.15 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 1avz s VAL 146 CO 0.04 0.46 1.44 -2.16 0.00 0.00 0.00 175.10 174.88 1avz s PRO 147 N 0.77 4.28 -0.07 2.72 0.04 -1.26 -1.48 135.00 139.99 1avz s PRO 147 Ca -0.01 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.12 1avz s PRO 147 Cb -0.14 -3.48 0.09 0.00 0.04 0.00 0.00 34.50 31.00 1avz s PRO 147 CO 0.02 -0.56 0.70 1.33 0.04 0.00 0.00 177.00 178.53 1avz n VAL 148 N 4.47 0.00 -1.17 -0.36 0.24 -1.26 -4.97 118.33 115.28 1avz n VAL 148 Ca 0.13 -0.21 -0.20 0.00 -2.04 0.00 0.00 64.34 62.02 1avz n VAL 148 Cb 0.43 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 1avz n VAL 148 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1avz n GLU 179 N -0.33 0.05 -1.69 7.34 2.13 -1.26 -4.75 120.64 122.14 1avz n GLU 179 Ca -0.11 -1.19 -0.51 0.00 0.66 0.00 0.00 57.16 56.01 1avz n GLU 179 Cb 0.56 -3.00 -0.05 0.00 0.27 0.00 0.00 31.44 29.22 1avz n GLU 179 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1avz n VAL 180 N 7.61 0.47 -4.23 6.31 0.31 -1.26 -4.97 118.33 122.56 1avz n VAL 180 Ca 0.35 -0.08 -0.24 0.00 -0.01 0.00 0.00 64.34 64.35 1avz n VAL 180 Cb 0.45 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 1avz n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1avz s LEU 181 N 3.74 3.34 -0.05 7.52 1.43 -1.26 -4.39 118.68 129.00 1avz s LEU 181 Ca 0.94 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1avz s LEU 181 Cb -0.80 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1avz s LEU 181 CO 0.55 0.03 0.15 -1.83 0.23 0.00 0.00 176.35 175.48 1avz s GLU 182 N -3.41 0.19 0.39 1.70 -1.05 -0.55 0.14 118.70 116.12 1avz s GLU 182 Ca 0.30 0.18 -0.27 0.00 -0.15 0.00 0.00 54.97 55.03 1avz s GLU 182 Cb -0.08 0.09 -0.11 0.00 -0.44 0.00 0.00 34.13 33.60 1avz s GLU 182 CO 0.20 -0.03 1.46 0.91 0.95 0.00 0.00 175.26 178.75 1avz n TRP 183 N 2.92 2.86 -3.66 4.83 8.01 0.75 -1.43 117.44 131.71 1avz n TRP 183 Ca -0.13 0.45 -0.13 0.00 -1.31 0.00 0.00 57.50 56.39 1avz n TRP 183 Cb 0.59 -2.50 -0.13 0.00 -2.01 0.00 0.00 31.31 27.26 1avz n TRP 183 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1avz s ARG 184 N -2.17 0.17 0.09 -0.99 1.81 -0.36 -0.66 118.95 116.84 1avz s ARG 184 Ca 0.55 0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 55.04 1avz s ARG 184 Cb -0.48 0.01 -0.06 0.00 -0.45 0.00 0.00 34.95 33.97 1avz s ARG 184 CO 0.62 -0.28 1.12 0.12 -0.68 0.00 0.00 175.30 176.20 1avz s PHE 185 N 2.44 3.55 -0.31 -0.53 2.19 -1.26 -1.94 117.98 122.11 1avz s PHE 185 Ca 0.01 1.50 0.01 0.00 0.33 0.00 0.00 56.93 58.78 1avz s PHE 185 Cb -0.12 -3.30 0.15 0.00 -1.31 0.00 0.00 43.02 38.44 1avz s PHE 185 CO -0.09 -0.76 0.35 0.34 1.83 0.00 0.00 175.22 176.89 1avz s ASP 186 N 0.59 1.13 0.26 6.13 -1.08 -0.36 -5.00 116.67 118.33 1avz s ASP 186 Ca 0.54 -0.82 0.16 0.00 -0.52 0.00 0.00 52.55 51.91 1avz s ASP 186 Cb -0.28 0.72 0.88 0.00 -1.46 0.00 0.00 42.92 42.79 1avz s ASP 186 CO 0.31 -0.35 1.47 -1.54 0.52 0.00 0.00 175.17 175.59 1avz n SER 187 N 5.08 0.42 0.26 -0.34 3.41 -1.26 -2.17 113.62 119.02 1avz n SER 187 Ca 0.02 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 1avz n SER 187 Cb 0.47 -0.71 0.66 0.00 -0.26 0.00 0.00 64.21 64.37 1avz n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1avz h ARG 188 N 0.00 0.00 -0.01 4.33 3.08 -1.96 -2.17 114.38 117.65 1avz h ARG 188 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1avz h ARG 188 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1avz h ARG 188 CO 0.00 0.06 0.04 -0.07 -1.07 0.00 0.00 179.97 178.94 1avz h LEU 189 N 0.00 0.00 -0.04 3.04 3.38 -1.64 0.21 115.31 120.26 1avz h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1avz h LEU 189 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1avz h LEU 189 CO 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.50 1avz n ALA 190 N -2.14 2.55 -0.02 1.53 0.00 -0.82 -3.88 120.51 117.73 1avz n ALA 190 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1avz n ALA 190 Cb 0.12 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1avz n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1avz n PHE 191 N -1.27 0.00 -4.80 0.00 3.72 0.55 -4.82 117.46 110.84 1avz n PHE 191 Ca 0.13 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.20 1avz n PHE 191 Cb 0.27 -0.18 -0.17 0.00 -0.94 0.00 0.00 39.48 38.46 1avz n PHE 191 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1avz s HIS 192 N -2.09 2.65 -1.26 1.38 3.76 -0.05 -5.03 115.29 114.64 1avz s HIS 192 Ca -0.03 -1.26 -0.08 0.00 -0.15 0.00 0.00 55.06 53.54 1avz s HIS 192 Cb 0.01 -1.79 0.18 0.00 1.11 0.00 0.00 32.58 32.09 1avz s HIS 192 CO 0.14 -0.56 1.94 1.58 -0.85 0.00 0.00 174.74 176.98 1avz n HIS 193 N 3.93 2.78 -0.10 1.40 -0.00 -1.26 -4.38 115.22 117.59 1avz n HIS 193 Ca -0.20 -2.76 0.14 0.00 0.46 0.00 0.00 57.72 55.36 1avz n HIS 193 Cb 0.52 -1.84 0.52 0.00 -0.12 0.00 0.00 29.99 29.07 1avz n HIS 193 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1avz h VAL 194 N 3.46 0.85 0.00 3.57 3.04 -1.91 -0.99 116.25 124.26 1avz h VAL 194 Ca 0.44 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1avz h VAL 194 Cb 0.56 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1avz h VAL 194 CO 1.56 0.07 0.00 0.00 -1.01 0.00 0.00 177.57 178.19 1avz n ALA 195 N -2.53 1.94 0.00 3.17 0.00 -1.26 -1.23 120.51 120.60 1avz n ALA 195 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1avz n ALA 195 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1avz n ALA 195 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1avz n ARG 196 N -0.49 1.37 -0.21 0.00 0.63 -0.41 -3.64 116.66 113.91 1avz n ARG 196 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1avz n ARG 196 Cb 0.00 -0.69 0.07 0.00 0.45 0.00 0.00 32.46 32.29 1avz n ARG 196 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1avz h GLU 197 N 0.00 1.04 0.00 -0.14 5.08 -1.01 -3.10 114.58 116.44 1avz h GLU 197 Ca 0.00 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1avz h GLU 197 Cb 0.38 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1avz h GLU 197 CO 0.00 0.96 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.75 1avz h LEU 198 N 0.97 0.00 -6.14 1.33 4.07 -1.43 -3.42 115.31 110.70 1avz h LEU 198 Ca 0.19 -0.43 -0.62 0.00 0.08 0.00 0.00 57.88 57.10 1avz h LEU 198 Cb 0.44 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.78 1avz h LEU 198 CO 0.01 0.80 -0.45 1.41 -1.08 0.00 0.00 178.44 179.14 1avz n HIS 199 N -4.67 3.58 0.26 1.13 8.25 -1.24 -4.94 115.22 117.59 1avz n HIS 199 Ca -0.07 -3.97 0.14 0.00 -0.26 0.00 0.00 57.72 53.56 1avz n HIS 199 Cb 0.27 -0.62 0.76 0.00 1.12 0.00 0.00 29.99 31.51 1avz n HIS 199 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1avz h PRO 200 N 4.13 0.00 -0.50 -0.41 0.13 -1.78 -3.00 132.00 130.57 1avz h PRO 200 Ca 0.20 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.38 1avz h PRO 200 Cb 0.63 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 1avz h PRO 200 CO 0.89 0.00 0.21 0.93 -0.23 0.00 0.00 178.00 179.80 1avz h GLU 201 N 0.00 0.40 0.00 0.86 3.07 -1.92 0.10 114.58 117.09 1avz h GLU 201 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1avz h GLU 201 Cb 0.37 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1avz h GLU 201 CO 0.00 0.27 0.00 0.66 -1.40 0.00 0.00 179.01 178.54 1avz n TYR 202 N -4.95 0.00 -0.80 4.33 4.01 -1.13 -5.25 117.16 113.37 1avz n TYR 202 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1avz n TYR 202 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1avz n TYR 202 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59