#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxt s ASP 45 N 0.00 6.42 0.00 3.17 2.15 -1.26 -4.88 116.67 122.28 3fxt s ASP 45 Ca 0.00 0.50 0.25 0.00 0.43 0.00 0.00 52.55 53.72 3fxt s ASP 45 Cb 0.00 -2.22 0.41 0.00 -0.30 0.00 0.00 42.92 40.81 3fxt s ASP 45 CO 0.00 -0.03 1.36 0.18 -0.17 0.00 0.00 175.17 176.51 3fxt n LEU 46 N 4.26 2.03 -3.78 -1.34 4.77 -1.26 -4.99 117.00 116.70 3fxt n LEU 46 Ca -0.09 -0.69 -0.27 0.00 -0.03 0.00 0.00 56.01 54.93 3fxt n LEU 46 Cb 0.51 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 3fxt n LEU 46 CO 0.40 0.35 0.15 0.00 -1.33 0.00 0.00 177.39 176.96 3fxt n GLN 47 N 0.32 -6.41 -2.20 3.23 6.02 -1.26 -4.89 117.38 112.19 3fxt n GLN 47 Ca 0.13 0.69 -0.42 0.00 -0.01 0.00 0.00 57.00 57.39 3fxt n GLN 47 Cb 0.46 -5.63 -0.03 0.00 1.02 0.00 0.00 30.24 26.07 3fxt n GLN 47 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3fxt s GLY 48 N -3.41 1.67 0.38 1.08 0.00 -1.26 -4.85 107.32 100.93 3fxt s GLY 48 Ca 0.58 0.78 -0.23 0.00 0.00 0.00 0.00 44.72 45.85 3fxt s GLY 48 CO 0.79 2.71 0.96 1.85 0.00 0.00 0.00 173.10 179.41 3fxt s GLU 49 N 3.34 4.38 -0.23 2.90 2.12 -0.73 -4.81 118.70 125.66 3fxt s GLU 49 Ca 0.65 1.24 -0.06 0.00 0.36 0.00 0.00 54.97 57.16 3fxt s GLU 49 Cb -0.29 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 3fxt s GLU 49 CO 0.24 0.09 0.03 -1.17 -0.54 0.00 0.00 175.26 173.91 3fxt s LEU 50 N -2.65 3.25 0.83 2.70 2.96 -1.26 -0.65 118.68 123.85 3fxt s LEU 50 Ca 0.57 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.12 3fxt s LEU 50 Cb -0.14 -1.85 0.14 0.00 0.50 0.00 0.00 46.19 44.83 3fxt s LEU 50 CO 0.19 -0.01 1.16 1.51 -1.32 0.00 0.00 176.35 177.87 3fxt s ASP 51 N 1.46 3.94 0.00 3.68 1.47 -1.08 -4.96 116.67 121.18 3fxt s ASP 51 Ca 0.05 0.20 0.19 0.00 1.18 0.00 0.00 52.55 54.17 3fxt s ASP 51 Cb -0.15 -0.51 1.09 0.00 -0.34 0.00 0.00 42.92 43.01 3fxt s ASP 51 CO 0.01 -2.18 1.51 -1.14 0.68 0.00 0.00 175.17 174.06 3fxt n ARG 52 N -3.30 0.55 -0.01 2.11 0.63 -1.26 -3.26 116.66 112.12 3fxt n ARG 52 Ca 0.13 0.01 0.01 0.00 -0.92 0.00 0.00 57.85 57.08 3fxt n ARG 52 Cb 0.60 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 32.02 3fxt n ARG 52 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3fxt n PHE 53 N -1.03 0.02 0.00 -0.14 3.72 -1.26 -5.02 117.46 113.75 3fxt n PHE 53 Ca 0.13 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3fxt n PHE 53 Cb 0.07 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3fxt n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fxt n GLY 54 N -0.06 2.52 3.70 1.37 0.00 -1.20 -4.85 105.19 106.66 3fxt n GLY 54 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3fxt n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fxt s GLY 55 N -2.53 1.63 -0.14 -0.02 0.00 -1.26 -3.79 107.32 101.20 3fxt s GLY 55 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.78 3fxt s GLY 55 CO 0.00 0.53 -0.19 -0.42 0.00 0.00 0.00 173.10 173.02 3fxt s ILE 56 N -2.86 1.83 -0.32 0.90 -1.09 -0.89 -2.64 121.20 116.13 3fxt s ILE 56 Ca 0.64 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 58.16 3fxt s ILE 56 Cb -0.19 -1.65 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 3fxt s ILE 56 CO 0.58 0.50 0.10 -0.44 -1.23 0.00 0.00 174.94 174.45 3fxt s SER 57 N 1.06 5.26 -0.35 3.58 0.01 0.17 -0.86 113.70 122.57 3fxt s SER 57 Ca -0.03 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.22 3fxt s SER 57 Cb -0.14 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 3fxt s SER 57 CO -0.05 -0.26 0.28 -0.69 0.41 0.00 0.00 173.24 172.93 3fxt s VAL 58 N 1.48 5.25 -0.27 3.43 1.01 -0.88 -1.77 120.40 128.65 3fxt s VAL 58 Ca 0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 3fxt s VAL 58 Cb -0.18 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3fxt s VAL 58 CO 0.03 -0.08 0.17 -0.13 0.00 0.00 0.00 175.10 175.09 3fxt s ARG 59 N 1.80 3.91 0.40 2.72 0.52 -1.26 -1.11 118.95 125.93 3fxt s ARG 59 Ca 0.08 -0.34 0.22 0.00 -0.52 0.00 0.00 55.73 55.16 3fxt s ARG 59 Cb -0.17 -3.61 0.61 0.00 0.52 0.00 0.00 34.95 32.30 3fxt s ARG 59 CO 0.11 -0.17 1.69 -0.07 0.02 0.00 0.00 175.30 176.88 3fxt h LEU 60 N 8.31 0.00 -1.79 2.53 -0.00 -1.69 -1.39 115.31 121.29 3fxt h LEU 60 Ca -0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.50 3fxt h LEU 60 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 3fxt h LEU 60 CO 0.56 0.27 -0.11 0.00 -0.00 0.00 0.00 178.44 179.16 3fxt h ALA 61 N 1.73 1.80 0.05 1.53 0.00 -1.85 -0.28 119.26 122.23 3fxt h ALA 61 Ca -0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 3fxt h ALA 61 Cb 0.96 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3fxt h ALA 61 CO 0.04 0.14 -1.87 -2.13 0.00 0.00 0.00 179.25 175.43 3fxt n ARG 62 N -4.38 0.66 0.28 0.00 0.63 -1.07 -3.03 116.66 109.75 3fxt n ARG 62 Ca -0.03 0.36 0.16 0.00 -0.92 0.00 0.00 57.85 57.43 3fxt n ARG 62 Cb 0.19 -1.67 0.80 0.00 0.45 0.00 0.00 32.46 32.22 3fxt n ARG 62 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3fxt h LEU 63 N -0.44 0.00 -5.49 6.15 5.85 -1.23 -3.32 115.31 116.83 3fxt h LEU 63 Ca -0.45 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 57.90 3fxt h LEU 63 Cb 1.71 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 42.46 3fxt h LEU 63 CO -0.10 0.06 -0.85 -0.67 -0.34 0.00 0.00 178.44 176.54 3fxt n ASP 64 N -3.30 -0.57 0.32 1.25 4.64 -0.12 -4.97 116.55 113.81 3fxt n ASP 64 Ca -0.01 -3.26 0.20 0.00 -1.38 0.00 0.00 54.79 50.34 3fxt n ASP 64 Cb 0.24 0.51 1.10 0.00 -1.04 0.00 0.00 41.12 41.94 3fxt n ASP 64 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fxt h ALA 65 N 2.96 1.20 0.00 -1.67 0.00 -1.64 -0.81 119.26 119.30 3fxt h ALA 65 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fxt h ALA 65 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fxt h ALA 65 CO 0.32 -0.02 -1.12 1.28 0.00 0.00 0.00 179.25 179.70 3fxt n LEU 66 N -3.33 0.65 -2.60 0.00 4.77 -1.26 -5.02 117.00 110.21 3fxt n LEU 66 Ca -0.03 -0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 3fxt n LEU 66 Cb 0.10 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3fxt n LEU 66 CO 0.22 0.12 0.03 -0.67 -1.33 0.00 0.00 177.39 175.76 3fxt n ASP 67 N -1.80 -4.09 0.00 -1.43 2.03 -0.31 -4.97 116.55 105.98 3fxt n ASP 67 Ca 0.02 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 54.89 3fxt n ASP 67 Cb 0.41 -3.50 0.00 0.00 -0.72 0.00 0.00 41.12 37.31 3fxt n ASP 67 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3fxt n ARG 68 N -2.73 0.87 -2.67 -0.67 1.74 -1.26 -5.06 116.66 106.89 3fxt n ARG 68 Ca -0.09 -0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.37 3fxt n ARG 68 Cb 0.59 -0.65 -0.04 0.00 -1.02 0.00 0.00 32.46 31.34 3fxt n ARG 68 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3fxt s LEU 69 N -0.37 4.42 0.52 0.55 2.96 -1.26 -5.02 118.68 120.48 3fxt s LEU 69 Ca 0.00 1.78 -0.19 0.00 -0.22 0.00 0.00 54.13 55.50 3fxt s LEU 69 Cb 0.00 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.04 3fxt s LEU 69 CO 0.00 -0.21 1.04 -0.62 -1.32 0.00 0.00 176.35 175.24 3fxt s ASP 70 N 0.58 6.21 -0.03 3.68 2.15 -1.26 -4.97 116.67 123.03 3fxt s ASP 70 Ca 0.51 1.88 -0.26 0.00 0.43 0.00 0.00 52.55 55.11 3fxt s ASP 70 Cb -0.23 -2.55 -0.20 0.00 -0.30 0.00 0.00 42.92 39.63 3fxt s ASP 70 CO 0.29 -0.87 1.23 0.00 -0.17 0.00 0.00 175.17 175.65 3fxt h ALA 71 N 1.22 0.02 -0.32 3.66 0.00 -1.95 -1.82 119.26 120.07 3fxt h ALA 71 Ca -0.49 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 3fxt h ALA 71 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3fxt h ALA 71 CO 0.59 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3fxt h ALA 72 N 0.47 1.41 -0.12 0.00 0.00 -1.95 0.25 119.26 119.33 3fxt h ALA 72 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3fxt h ALA 72 Cb 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fxt h ALA 72 CO 0.00 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.69 3fxt h ALA 73 N 1.54 0.16 -0.88 0.00 0.00 -1.97 -1.91 119.26 116.20 3fxt h ALA 73 Ca 0.10 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3fxt h ALA 73 Cb 0.30 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3fxt h ALA 73 CO 0.01 -0.19 0.54 0.35 0.00 0.00 0.00 179.25 179.95 3fxt h PHE 74 N -0.02 0.99 -0.61 0.00 3.57 -0.60 -1.81 116.94 118.46 3fxt h PHE 74 Ca 0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3fxt h PHE 74 Cb 0.28 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3fxt h PHE 74 CO 0.01 0.47 0.36 0.37 -2.23 0.00 0.00 178.31 177.30 3fxt h GLN 75 N 0.95 0.83 -0.20 1.11 4.15 -0.78 -1.46 115.11 119.72 3fxt h GLN 75 Ca 0.39 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.72 3fxt h GLN 75 Cb 0.24 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3fxt h GLN 75 CO -0.20 0.60 0.06 -0.22 -1.93 0.00 0.00 178.83 177.14 3fxt h LYS 76 N 0.83 0.31 0.00 1.69 3.64 -0.76 -1.10 116.57 121.17 3fxt h LYS 76 Ca 0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3fxt h LYS 76 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3fxt h LYS 76 CO -0.04 0.42 0.00 0.41 -2.27 0.00 0.00 179.45 177.97 3fxt n GLY 77 N -0.58 -1.14 0.14 5.01 0.00 -0.73 -2.20 105.19 105.68 3fxt n GLY 77 Ca -0.04 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3fxt n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fxt n LEU 78 N -1.87 2.62 0.26 0.99 7.94 -0.56 -2.81 117.00 123.57 3fxt n LEU 78 Ca 0.03 0.19 0.18 0.00 -1.11 0.00 0.00 56.01 55.30 3fxt n LEU 78 Cb 0.20 -1.09 0.86 0.00 0.53 0.00 0.00 43.42 43.91 3fxt n LEU 78 CO 0.17 0.83 1.02 -0.61 -1.11 0.00 0.00 177.39 177.69 3fxt h GLN 79 N -0.01 0.00 0.05 1.96 4.15 -1.02 -0.23 115.11 120.02 3fxt h GLN 79 Ca -0.44 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 58.80 3fxt h GLN 79 Cb 1.98 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.66 3fxt h GLN 79 CO 0.05 0.00 -0.96 0.00 -1.93 0.00 0.00 178.83 175.99 3fxt h ALA 80 N 2.04 0.14 0.00 3.38 0.00 -1.57 -3.35 119.26 119.90 3fxt h ALA 80 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3fxt h ALA 80 Cb 0.19 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fxt h ALA 80 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3fxt h ALA 81 N -0.16 1.00 -0.01 0.00 0.00 -1.32 -2.11 119.26 116.66 3fxt h ALA 81 Ca -0.23 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3fxt h ALA 81 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3fxt h ALA 81 CO -0.03 0.00 -0.18 -0.24 0.00 0.00 0.00 179.25 178.80 3fxt h VAL 82 N 0.00 1.55 0.00 0.00 3.04 -1.21 -2.05 116.25 117.58 3fxt h VAL 82 Ca 0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 66.70 63.82 3fxt h VAL 82 Cb 0.42 2.74 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 3fxt h VAL 82 CO 0.00 0.51 0.00 1.56 -1.01 0.00 0.00 177.57 178.63 3fxt h GLN 83 N -0.55 0.00 0.61 4.17 4.20 -1.67 0.01 115.11 121.88 3fxt h GLN 83 Ca -0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3fxt h GLN 83 Cb 0.92 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.71 3fxt h GLN 83 CO 0.04 0.00 -0.29 0.37 -0.67 0.00 0.00 178.83 178.27 3fxt h GLN 84 N 0.00 -0.78 0.00 1.46 5.75 -1.44 -3.26 115.11 116.83 3fxt h GLN 84 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3fxt h GLN 84 Cb 0.72 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.45 3fxt h GLN 84 CO 0.00 -0.49 0.00 -1.49 -2.65 0.00 0.00 178.83 174.20 3fxt h TRP 85 N -1.14 0.00 0.55 3.99 6.55 -1.16 0.51 115.95 125.25 3fxt h TRP 85 Ca -0.08 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.73 3fxt h TRP 85 Cb 0.66 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.97 3fxt h TRP 85 CO 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 178.44 177.13 3fxt h ARG 86 N 0.00 -0.72 0.00 0.49 2.47 -1.14 -1.84 114.38 113.64 3fxt h ARG 86 Ca 0.00 0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.66 3fxt h ARG 86 Cb 0.72 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 3fxt h ARG 86 CO 0.00 -0.43 -0.50 0.77 0.56 0.00 0.00 179.97 180.37 3fxt h SER 87 N -0.88 0.00 0.83 7.04 0.02 -1.55 -2.37 113.55 116.65 3fxt h SER 87 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3fxt h SER 87 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3fxt h SER 87 CO 0.13 0.50 0.00 1.21 -1.14 0.00 0.00 176.83 177.52 3fxt n GLU 88 N -3.79 0.17 -2.23 3.45 2.13 0.15 -4.96 120.64 115.55 3fxt n GLU 88 Ca -0.01 0.34 -0.01 0.00 0.66 0.00 0.00 57.16 58.13 3fxt n GLU 88 Cb 0.54 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.47 3fxt n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fxt n GLY 89 N 0.29 -0.85 3.53 8.31 0.00 -0.71 -5.02 105.19 110.75 3fxt n GLY 89 Ca 0.03 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 3fxt n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fxt s ARG 90 N -2.57 1.80 0.00 1.61 1.81 -1.12 -5.07 118.95 115.41 3fxt s ARG 90 Ca 0.04 -1.92 0.00 0.00 -1.72 0.00 0.00 55.73 52.14 3fxt s ARG 90 Cb -0.01 -1.69 0.00 0.00 -0.45 0.00 0.00 34.95 32.80 3fxt s ARG 90 CO 0.37 0.15 0.55 2.41 -0.68 0.00 0.00 175.30 178.11 3fxt n THR 91 N -0.77 0.00 -3.98 0.02 -1.04 -1.25 -3.12 114.28 104.15 3fxt n THR 91 Ca -0.05 1.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.85 3fxt n THR 91 Cb 0.63 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 67.20 3fxt n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fxt s ALA 92 N -2.94 0.03 -0.20 2.41 0.00 -1.26 -1.87 121.76 117.92 3fxt s ALA 92 Ca 0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.85 3fxt s ALA 92 Cb 0.00 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.12 3fxt s ALA 92 CO 0.00 -0.87 -0.14 0.08 0.00 0.00 0.00 175.76 174.82 3fxt s VAL 93 N -3.06 2.42 0.19 0.00 1.01 -1.11 -2.10 120.40 117.75 3fxt s VAL 93 Ca 0.23 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 3fxt s VAL 93 Cb -0.02 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 3fxt s VAL 93 CO 0.15 0.41 0.54 0.26 0.00 0.00 0.00 175.10 176.46 3fxt s TRP 94 N 1.31 3.51 -0.21 5.22 0.52 -0.04 -2.62 118.94 126.63 3fxt s TRP 94 Ca 0.03 0.94 -0.04 0.00 0.02 0.00 0.00 56.10 57.06 3fxt s TRP 94 Cb -0.14 -2.30 0.07 0.00 -1.15 0.00 0.00 33.47 29.95 3fxt s TRP 94 CO -0.09 0.35 0.08 -0.51 0.02 0.00 0.00 176.95 176.80 3fxt s LEU 95 N -2.41 0.77 -0.45 2.99 1.02 -0.51 -2.06 118.68 118.03 3fxt s LEU 95 Ca 0.43 -0.87 -0.17 0.00 0.02 0.00 0.00 54.13 53.54 3fxt s LEU 95 Cb -0.13 -0.41 0.04 0.00 0.02 0.00 0.00 46.19 45.71 3fxt s LEU 95 CO 0.20 -0.36 0.45 -1.00 0.02 0.00 0.00 176.35 175.66 3fxt s HIS 96 N 2.01 3.17 -0.27 0.29 3.76 -0.27 -1.27 115.29 122.71 3fxt s HIS 96 Ca 0.03 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.36 3fxt s HIS 96 Cb -0.16 -3.07 0.06 0.00 1.11 0.00 0.00 32.58 30.52 3fxt s HIS 96 CO -0.15 -0.78 -0.08 0.42 -0.85 0.00 0.00 174.74 173.30 3fxt s ILE 97 N 2.04 2.33 0.78 0.60 1.01 -0.51 -1.53 121.20 125.93 3fxt s ILE 97 Ca 0.09 -1.64 -0.15 0.00 0.00 0.00 0.00 60.65 58.96 3fxt s ILE 97 Cb -0.20 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 39.91 3fxt s ILE 97 CO 0.11 -0.08 0.90 -2.65 0.00 0.00 0.00 174.94 173.22 3fxt n PRO 98 N 4.46 0.25 -0.19 2.79 -0.02 -1.26 -1.62 135.00 139.40 3fxt n PRO 98 Ca -0.13 0.15 -0.08 0.00 -2.02 0.00 0.00 63.50 61.42 3fxt n PRO 98 Cb 0.42 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 3fxt n PRO 98 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3fxt h ILE 99 N -0.68 1.22 0.00 4.25 2.10 -1.63 -1.37 117.51 121.40 3fxt h ILE 99 Ca -0.46 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 64.79 3fxt h ILE 99 Cb 1.32 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 3fxt h ILE 99 CO 0.44 0.26 0.00 -0.07 -1.08 0.00 0.00 178.15 177.70 3fxt h LEU 100 N 0.72 0.00 -3.46 2.19 3.38 -1.91 -1.71 115.31 114.51 3fxt h LEU 100 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3fxt h LEU 100 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3fxt h LEU 100 CO -0.01 0.00 0.02 0.00 0.09 0.00 0.00 178.44 178.53 3fxt n GLN 101 N -2.34 4.04 0.00 1.13 6.02 -0.52 -4.70 117.38 121.01 3fxt n GLN 101 Ca -0.01 -3.05 0.05 0.00 -0.01 0.00 0.00 57.00 53.98 3fxt n GLN 101 Cb 0.10 -2.10 0.22 0.00 1.02 0.00 0.00 30.24 29.47 3fxt n GLN 101 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3fxt n SER 102 N 0.11 0.00 0.28 1.08 7.64 -0.65 -2.75 113.62 119.33 3fxt n SER 102 Ca 0.26 0.31 0.18 0.00 1.01 0.00 0.00 58.87 60.63 3fxt n SER 102 Cb 1.10 -0.38 0.94 0.00 -1.01 0.00 0.00 64.21 64.85 3fxt n SER 102 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 3fxt h ARG 103 N 0.00 0.00 0.00 1.43 0.11 -1.86 -1.23 114.38 112.83 3fxt h ARG 103 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3fxt h ARG 103 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3fxt h ARG 103 CO 0.00 0.00 0.00 0.74 0.10 0.00 0.00 179.97 180.81 3fxt h PHE 104 N 0.00 0.00 0.51 4.08 0.04 -1.90 -3.38 116.94 116.29 3fxt h PHE 104 Ca 0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3fxt h PHE 104 Cb 0.41 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.57 3fxt h PHE 104 CO 0.00 0.00 -0.25 0.82 -0.60 0.00 0.00 178.31 178.28 3fxt h ILE 105 N 0.00 0.46 -0.38 -0.55 2.04 -1.48 -2.80 117.51 114.81 3fxt h ILE 105 Ca 0.00 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3fxt h ILE 105 Cb 0.73 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3fxt h ILE 105 CO 0.00 0.03 0.20 0.00 0.00 0.00 0.00 178.15 178.38 3fxt h ALA 106 N -0.40 0.47 -0.62 1.87 0.00 -1.76 -0.81 119.26 118.01 3fxt h ALA 106 Ca -0.07 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3fxt h ALA 106 Cb 0.58 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3fxt h ALA 106 CO 0.12 -0.16 0.33 -1.35 0.00 0.00 0.00 179.25 178.19 3fxt h PRO 107 N 0.40 0.60 -0.76 0.00 0.11 -1.77 -1.54 132.00 129.05 3fxt h PRO 107 Ca 0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3fxt h PRO 107 Cb 0.06 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 30.99 3fxt h PRO 107 CO -0.10 0.40 0.45 0.00 -0.21 0.00 0.00 178.00 178.53 3fxt h ALA 108 N 1.33 1.37 0.00 -0.75 0.00 -1.13 -2.85 119.26 117.23 3fxt h ALA 108 Ca 0.28 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3fxt h ALA 108 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3fxt h ALA 108 CO -0.18 0.54 -0.62 0.00 0.00 0.00 0.00 179.25 178.99 3fxt h ALA 109 N 1.45 0.94 0.00 0.00 0.00 -0.70 -2.40 119.26 118.55 3fxt h ALA 109 Ca 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3fxt h ALA 109 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fxt h ALA 109 CO -0.05 0.78 0.00 -1.13 0.00 0.00 0.00 179.25 178.85 3fxt n SER 110 N -3.75 0.23 -2.19 0.00 3.41 -0.62 -1.91 113.62 108.79 3fxt n SER 110 Ca -0.01 0.57 -0.27 0.00 -0.26 0.00 0.00 58.87 58.90 3fxt n SER 110 Cb 0.63 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3fxt n SER 110 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fxt n LEU 111 N -1.77 5.39 0.00 1.04 4.77 -0.92 -4.98 117.00 120.53 3fxt n LEU 111 Ca 0.02 -4.78 0.00 0.00 -0.03 0.00 0.00 56.01 51.22 3fxt n LEU 111 Cb 0.14 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3fxt n LEU 111 CO 0.12 2.03 0.00 0.61 -1.33 0.00 0.00 177.39 178.82 3fxt n GLY 112 N -0.69 1.34 3.79 -0.72 0.00 -0.81 -5.04 105.19 103.06 3fxt n GLY 112 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 3fxt n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fxt s PHE 113 N -2.67 2.80 0.14 1.61 0.40 -1.13 -4.78 117.98 114.35 3fxt s PHE 113 Ca 0.00 1.53 -0.08 0.00 -0.60 0.00 0.00 56.93 57.78 3fxt s PHE 113 Cb 0.00 -3.09 -0.01 0.00 0.51 0.00 0.00 43.02 40.43 3fxt s PHE 113 CO 0.00 -1.43 0.23 0.00 0.70 0.00 0.00 175.22 174.72 3fxt s PHE 115 N -3.95 3.14 -0.16 0.00 0.08 -1.26 -1.51 117.98 114.31 3fxt s PHE 115 Ca 0.15 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 58.66 3fxt s PHE 115 Cb 0.04 -3.24 -0.06 0.00 -0.57 0.00 0.00 43.02 39.19 3fxt s PHE 115 CO -0.03 -0.97 -0.29 1.58 -0.10 0.00 0.00 175.22 175.42 3fxt n HIS 116 N -0.14 0.00 -3.25 0.36 -0.00 0.15 -4.82 115.22 107.52 3fxt n HIS 116 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.76 3fxt n HIS 116 Cb 0.49 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 3fxt n HIS 116 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3fxt n HIS 117 N -4.19 -0.95 -3.67 1.57 -0.00 -1.22 -5.03 115.22 101.72 3fxt n HIS 117 Ca -0.22 -0.21 -0.09 0.00 -0.00 0.00 0.00 57.72 57.20 3fxt n HIS 117 Cb 0.55 0.08 -0.09 0.00 -0.00 0.00 0.00 29.99 30.54 3fxt n HIS 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3fxt s ALA 118 N -1.30 -1.47 0.89 1.59 0.00 -1.26 -2.16 121.76 118.04 3fxt s ALA 118 Ca 0.02 1.98 -0.14 0.00 0.00 0.00 0.00 51.96 53.82 3fxt s ALA 118 Cb -0.00 -1.18 0.15 0.00 0.00 0.00 0.00 23.12 22.08 3fxt s ALA 118 CO 0.02 -0.32 1.25 -1.21 0.00 0.00 0.00 175.76 175.49 3fxt s GLU 119 N 1.49 1.23 0.17 0.00 8.01 0.07 -4.99 118.70 124.69 3fxt s GLU 119 Ca -0.09 -0.23 -0.14 0.00 0.01 0.00 0.00 54.97 54.52 3fxt s GLU 119 Cb -0.07 -1.91 0.13 0.00 -4.31 0.00 0.00 34.13 27.97 3fxt s GLU 119 CO -0.16 -2.03 1.76 0.66 0.01 0.00 0.00 175.26 175.50 3fxt h SER 120 N -1.34 0.23 -0.42 -0.19 4.64 -2.04 -3.16 113.55 111.26 3fxt h SER 120 Ca -0.45 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 3fxt h SER 120 Cb 1.27 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 3fxt h SER 120 CO 0.49 0.17 0.04 -0.90 -0.87 0.00 0.00 176.83 175.76 3fxt n ASP 121 N -4.97 4.40 -3.51 4.97 5.68 -1.26 -4.93 116.55 116.93 3fxt n ASP 121 Ca 0.04 -3.09 -0.09 0.00 -0.50 0.00 0.00 54.79 51.15 3fxt n ASP 121 Cb 0.16 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.49 3fxt n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fxt s SER 122 N -1.56 -0.38 0.25 -1.12 1.04 -1.20 -1.55 113.70 109.18 3fxt s SER 122 Ca 0.48 0.09 0.02 0.00 0.48 0.00 0.00 55.95 57.01 3fxt s SER 122 Cb 0.38 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.83 3fxt s SER 122 CO 0.11 -0.58 0.07 -0.94 0.98 0.00 0.00 173.24 172.88 3fxt s SER 123 N -2.23 1.36 -0.05 7.02 1.04 -0.64 -0.75 113.70 119.45 3fxt s SER 123 Ca 0.03 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.13 3fxt s SER 123 Cb -0.01 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.25 3fxt s SER 123 CO -0.07 -0.68 -0.03 -0.89 0.98 0.00 0.00 173.24 172.56 3fxt s THR 124 N -3.67 0.48 0.21 2.02 2.01 -0.92 -1.42 115.64 114.35 3fxt s THR 124 Ca 0.35 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.38 3fxt s THR 124 Cb 0.07 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 3fxt s THR 124 CO 0.12 0.23 0.00 -0.76 -0.69 0.00 0.00 174.62 173.53 3fxt s LEU 125 N 1.21 3.29 0.04 4.42 1.43 -0.40 0.34 118.68 129.01 3fxt s LEU 125 Ca -0.06 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3fxt s LEU 125 Cb -0.14 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3fxt s LEU 125 CO -0.02 0.06 -0.05 -0.89 0.23 0.00 0.00 176.35 175.68 3fxt s THR 126 N -1.93 0.34 -0.22 5.49 2.01 -0.57 -1.42 115.64 119.33 3fxt s THR 126 Ca 0.29 -1.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 3fxt s THR 126 Cb -0.08 -0.77 0.07 0.00 0.01 0.00 0.00 72.50 71.73 3fxt s THR 126 CO 0.19 -0.60 0.08 -0.22 -0.69 0.00 0.00 174.62 173.39 3fxt s LEU 127 N -1.95 0.85 0.12 4.42 2.96 -1.08 -2.18 118.68 121.82 3fxt s LEU 127 Ca -0.07 -0.96 -0.31 0.00 -0.22 0.00 0.00 54.13 52.57 3fxt s LEU 127 Cb -0.05 -0.44 -0.09 0.00 0.50 0.00 0.00 46.19 46.11 3fxt s LEU 127 CO -0.03 -0.37 1.58 0.86 -1.32 0.00 0.00 176.35 177.07 3fxt s TRP 128 N 1.99 2.82 -0.03 5.38 -0.00 -1.26 -2.73 118.94 125.10 3fxt s TRP 128 Ca 0.04 0.54 -0.06 0.00 -0.00 0.00 0.00 56.10 56.62 3fxt s TRP 128 Cb -0.16 -3.91 -0.02 0.00 -0.00 0.00 0.00 33.47 29.38 3fxt s TRP 128 CO -0.17 -3.46 -0.11 1.28 -0.00 0.00 0.00 176.95 174.48 3fxt n LEU 129 N 4.66 0.88 0.00 5.86 4.77 -0.95 -5.01 117.00 127.21 3fxt n LEU 129 Ca 0.14 0.14 0.03 0.00 -0.03 0.00 0.00 56.01 56.29 3fxt n LEU 129 Cb 0.40 -0.44 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 3fxt n LEU 129 CO 0.62 -0.49 0.40 -1.14 -1.33 0.00 0.00 177.39 175.44