#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxt s SER 43 N 0.00 7.20 0.26 1.08 1.04 -1.26 -4.98 113.70 117.04 3fxt s SER 43 Ca 0.00 2.11 -0.26 0.00 0.48 0.00 0.00 55.95 58.28 3fxt s SER 43 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 3fxt s SER 43 CO 0.00 -0.29 0.88 0.00 0.98 0.00 0.00 173.24 174.81 3fxt s MET 44 N -0.14 4.58 -0.04 4.02 0.23 -1.26 -4.99 119.30 121.71 3fxt s MET 44 Ca 0.51 1.26 -0.30 0.00 -1.03 0.00 0.00 55.69 56.13 3fxt s MET 44 Cb -0.30 -2.99 -0.04 0.00 -1.53 0.00 0.00 34.83 29.97 3fxt s MET 44 CO 0.34 0.40 1.24 0.34 -2.03 0.00 0.00 175.02 175.32 3fxt s ASP 45 N -1.46 7.01 0.22 -1.18 -1.08 -1.26 -4.72 116.67 114.20 3fxt s ASP 45 Ca 0.45 1.89 0.16 0.00 -0.52 0.00 0.00 52.55 54.53 3fxt s ASP 45 Cb -0.21 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.71 3fxt s ASP 45 CO 0.25 -0.61 1.25 -0.07 0.52 0.00 0.00 175.17 176.52 3fxt h LEU 46 N 8.16 0.00 -1.53 -1.34 4.07 -1.96 -3.48 115.31 119.22 3fxt h LEU 46 Ca -0.35 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.26 3fxt h LEU 46 Cb 1.17 0.00 0.15 0.00 1.08 0.00 0.00 40.66 43.06 3fxt h LEU 46 CO 0.88 0.46 -0.76 0.00 -1.08 0.00 0.00 178.44 177.94 3fxt n GLN 47 N -3.09 -6.70 -1.89 1.13 6.02 -1.26 -4.86 117.38 106.74 3fxt n GLN 47 Ca -0.01 0.83 -0.32 0.00 -0.01 0.00 0.00 57.00 57.49 3fxt n GLN 47 Cb 0.74 -5.82 0.02 0.00 1.02 0.00 0.00 30.24 26.20 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 -4.19 1.83 -0.07 1.08 0.00 -1.26 -4.96 107.32 99.75 3fxt s GLY 48 Ca 0.10 0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.75 3fxt s GLY 48 CO 0.74 0.41 0.48 -0.54 0.00 0.00 0.00 173.10 174.18 3fxt s GLU 49 N -4.72 4.23 0.09 2.90 2.02 -0.38 -4.80 118.70 118.04 3fxt s GLU 49 Ca 0.58 0.49 -0.24 0.00 0.02 0.00 0.00 54.97 55.83 3fxt s GLU 49 Cb -0.13 -3.36 -0.07 0.00 0.10 0.00 0.00 34.13 30.67 3fxt s GLU 49 CO 0.47 0.34 0.71 -1.17 0.02 0.00 0.00 175.26 175.63 3fxt s LEU 50 N 0.01 4.51 0.49 1.80 2.96 -1.26 -0.95 118.68 126.25 3fxt s LEU 50 Ca 0.26 1.45 0.07 0.00 -0.22 0.00 0.00 54.13 55.69 3fxt s LEU 50 Cb -0.16 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.39 3fxt s LEU 50 CO 0.12 0.14 0.43 1.51 -1.32 0.00 0.00 176.35 177.24 3fxt s ASP 51 N -0.65 4.85 0.00 3.68 1.47 0.08 -4.98 116.67 121.12 3fxt s ASP 51 Ca 0.35 -0.99 0.23 0.00 1.18 0.00 0.00 52.55 53.32 3fxt s ASP 51 Cb -0.21 -0.03 1.20 0.00 -0.34 0.00 0.00 42.92 43.54 3fxt s ASP 51 CO 0.23 -0.93 1.77 -2.11 0.68 0.00 0.00 175.17 174.81 3fxt n ARG 52 N -1.72 0.36 -0.00 2.11 1.85 -1.26 -1.42 116.66 116.58 3fxt n ARG 52 Ca 0.03 0.06 0.14 0.00 -1.00 0.00 0.00 57.85 57.08 3fxt n ARG 52 Cb 0.63 -1.50 0.58 0.00 -1.05 0.00 0.00 32.46 31.12 3fxt n ARG 52 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3fxt n PHE 53 N -1.27 0.00 -0.87 2.89 3.72 -1.26 -4.92 117.46 115.76 3fxt n PHE 53 Ca 0.11 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3fxt n PHE 53 Cb 0.18 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 1.15 0.47 3.94 1.37 0.00 -0.51 -4.62 105.19 106.99 3fxt n GLY 54 Ca 0.20 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.81 1.42 -0.12 -0.02 0.00 -1.25 0.30 107.32 104.83 3fxt s GLY 55 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.87 3fxt s GLY 55 CO 0.00 -0.81 -0.21 -0.42 0.00 0.00 0.00 173.10 171.67 3fxt s ILE 56 N -2.27 2.31 -0.20 0.90 -1.09 0.02 -0.74 121.20 120.13 3fxt s ILE 56 Ca 0.40 -0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 57.87 3fxt s ILE 56 Cb -0.10 -1.92 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 3fxt s ILE 56 CO 0.35 0.55 -0.05 -0.44 -1.23 0.00 0.00 174.94 174.11 3fxt s SER 57 N 0.49 4.32 -0.13 3.58 0.01 -0.13 -0.34 113.70 121.50 3fxt s SER 57 Ca -0.14 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.74 3fxt s SER 57 Cb -0.17 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 3fxt s SER 57 CO 0.05 0.02 -0.04 -0.69 0.41 0.00 0.00 173.24 173.00 3fxt s VAL 58 N 1.25 3.93 -0.26 3.43 1.01 0.34 -1.24 120.40 128.85 3fxt s VAL 58 Ca 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3fxt s VAL 58 Cb -0.14 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.59 3fxt s VAL 58 CO -0.02 0.53 -0.08 -0.13 0.00 0.00 0.00 175.10 175.41 3fxt s ARG 59 N -0.06 2.47 0.46 2.72 0.52 -1.26 -0.26 118.95 123.54 3fxt s ARG 59 Ca 0.02 -1.21 0.18 0.00 -0.52 0.00 0.00 55.73 54.20 3fxt s ARG 59 Cb -0.13 -2.96 1.12 0.00 0.52 0.00 0.00 34.95 33.50 3fxt s ARG 59 CO 0.03 -0.52 2.00 -0.07 0.02 0.00 0.00 175.30 176.75 3fxt h LEU 60 N 7.89 0.00 -2.30 2.53 -0.00 -1.61 -1.13 115.31 120.69 3fxt h LEU 60 Ca -0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.63 3fxt h LEU 60 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.73 3fxt h LEU 60 CO 0.52 0.18 -0.03 0.00 -0.00 0.00 0.00 178.44 179.11 3fxt h ALA 61 N 1.82 1.55 0.05 1.53 0.00 -1.85 0.18 119.26 122.55 3fxt h ALA 61 Ca -0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 3fxt h ALA 61 Cb 0.36 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3fxt h ALA 61 CO 0.02 0.03 -1.78 0.54 0.00 0.00 0.00 179.25 178.06 3fxt n ARG 62 N -3.92 0.66 0.06 0.00 1.74 -0.52 -3.68 116.66 110.99 3fxt n ARG 62 Ca -0.03 0.38 -0.05 0.00 -0.77 0.00 0.00 57.85 57.38 3fxt n ARG 62 Cb 0.11 -1.69 0.14 0.00 -1.02 0.00 0.00 32.46 30.00 3fxt n ARG 62 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3fxt h LEU 63 N -0.46 0.36 -5.83 0.55 5.85 -1.08 -3.31 115.31 111.38 3fxt h LEU 63 Ca -0.43 -0.18 -0.53 0.00 0.84 0.00 0.00 57.88 57.57 3fxt h LEU 63 Cb 1.69 -0.10 -0.41 0.00 0.37 0.00 0.00 40.66 42.22 3fxt h LEU 63 CO -0.09 0.81 -0.98 -0.67 -0.34 0.00 0.00 178.44 177.17 3fxt n ASP 64 N -3.95 1.95 0.19 1.25 4.64 0.63 -4.95 116.55 116.30 3fxt n ASP 64 Ca -0.02 -3.17 0.05 0.00 -1.38 0.00 0.00 54.79 50.26 3fxt n ASP 64 Cb 0.56 -0.61 0.47 0.00 -1.04 0.00 0.00 41.12 40.51 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 3.28 1.66 -0.08 -1.67 0.00 -1.66 -1.64 119.26 119.15 3fxt h ALA 65 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fxt h ALA 65 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fxt h ALA 65 CO 0.61 0.25 0.00 1.28 0.00 0.00 0.00 179.25 181.39 3fxt n LEU 66 N -4.33 1.78 -3.54 0.00 4.77 -1.26 -4.96 117.00 109.46 3fxt n LEU 66 Ca -0.02 -0.65 -0.20 0.00 -0.03 0.00 0.00 56.01 55.11 3fxt n LEU 66 Cb 0.23 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3fxt n LEU 66 CO 0.37 0.33 0.00 -0.67 -1.33 0.00 0.00 177.39 176.08 3fxt n ASP 67 N 0.39 -2.64 0.00 -1.43 2.03 -0.62 -4.93 116.55 109.35 3fxt n ASP 67 Ca 0.18 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.73 3fxt n ASP 67 Cb 0.38 -4.52 0.00 0.00 -0.72 0.00 0.00 41.12 36.26 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 -4.06 1.21 -2.91 -0.67 1.74 -1.26 -5.06 116.66 105.66 3fxt n ARG 68 Ca -0.24 -0.35 -0.40 0.00 -0.77 0.00 0.00 57.85 56.09 3fxt n ARG 68 Cb 0.66 -0.84 -0.05 0.00 -1.02 0.00 0.00 32.46 31.21 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 -0.54 4.49 0.24 0.55 2.96 -1.26 -5.03 118.68 120.09 3fxt s LEU 69 Ca 0.00 1.59 -0.30 0.00 -0.22 0.00 0.00 54.13 55.20 3fxt s LEU 69 Cb 0.00 -3.35 -0.09 0.00 0.50 0.00 0.00 46.19 43.25 3fxt s LEU 69 CO 0.00 0.03 1.02 -0.62 -1.32 0.00 0.00 176.35 175.46 3fxt s ASP 70 N -0.26 7.45 0.17 3.68 2.15 -1.26 -4.95 116.67 123.65 3fxt s ASP 70 Ca 0.40 2.09 -0.15 0.00 0.43 0.00 0.00 52.55 55.32 3fxt s ASP 70 Cb -0.22 -2.62 0.06 0.00 -0.30 0.00 0.00 42.92 39.84 3fxt s ASP 70 CO 0.26 -0.01 1.82 0.00 -0.17 0.00 0.00 175.17 177.07 3fxt h ALA 71 N 4.16 0.61 -0.66 3.66 0.00 -1.96 0.63 119.26 125.71 3fxt h ALA 71 Ca -0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3fxt h ALA 71 Cb 1.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3fxt h ALA 71 CO 0.68 0.04 0.13 0.00 0.00 0.00 0.00 179.25 180.10 3fxt h ALA 72 N 1.19 0.98 -0.45 0.00 0.00 -1.94 0.15 119.26 119.19 3fxt h ALA 72 Ca 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3fxt h ALA 72 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3fxt h ALA 72 CO -0.05 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 3fxt h ALA 73 N 1.13 0.61 -0.49 0.00 0.00 -1.85 -1.18 119.26 117.48 3fxt h ALA 73 Ca 0.21 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fxt h ALA 73 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3fxt h ALA 73 CO 0.01 0.43 0.25 0.35 0.00 0.00 0.00 179.25 180.28 3fxt h PHE 74 N 0.65 0.45 -0.55 0.00 3.57 -0.40 -1.19 116.94 119.48 3fxt h PHE 74 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3fxt h PHE 74 Cb 0.53 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 3fxt h PHE 74 CO 0.04 0.22 0.35 0.37 -2.23 0.00 0.00 178.31 177.06 3fxt h GLN 75 N 0.48 0.68 -0.41 1.11 4.15 -0.40 0.74 115.11 121.46 3fxt h GLN 75 Ca 0.21 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.61 3fxt h GLN 75 Cb 0.12 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3fxt h GLN 75 CO -0.15 0.45 0.25 -0.22 -1.93 0.00 0.00 178.83 177.23 3fxt h LYS 76 N 0.70 0.50 -0.65 1.69 3.64 -0.87 -0.81 116.57 120.76 3fxt h LYS 76 Ca 0.21 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 3fxt h LYS 76 Cb -0.03 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.61 3fxt h LYS 76 CO -0.07 0.33 0.33 0.78 -2.27 0.00 0.00 179.45 178.56 3fxt h GLY 77 N 0.52 0.95 1.09 5.01 0.00 -0.51 -2.58 103.07 107.55 3fxt h GLY 77 Ca 0.16 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 3fxt h GLY 77 CO -0.06 0.10 -0.43 -2.00 0.00 0.00 0.00 176.54 174.16 3fxt h LEU 78 N 0.60 0.92 -0.65 3.11 5.85 -0.31 -0.12 115.31 124.70 3fxt h LEU 78 Ca 0.31 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3fxt h LEU 78 Cb 0.26 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3fxt h LEU 78 CO -0.22 1.24 0.31 -0.61 -0.34 0.00 0.00 178.44 178.82 3fxt h GLN 79 N 0.62 0.54 -0.22 1.25 4.15 -1.08 0.96 115.11 121.32 3fxt h GLN 79 Ca 0.04 -0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.22 3fxt h GLN 79 Cb 1.03 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.60 3fxt h GLN 79 CO 0.10 0.36 -0.66 0.00 -1.93 0.00 0.00 178.83 176.70 3fxt h ALA 80 N 1.39 0.39 -0.57 3.38 0.00 -1.20 -2.96 119.26 119.69 3fxt h ALA 80 Ca 0.31 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3fxt h ALA 80 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fxt h ALA 80 CO -0.25 0.68 0.19 0.00 0.00 0.00 0.00 179.25 179.87 3fxt h ALA 81 N 0.62 0.75 -0.70 0.00 0.00 -0.75 -0.79 119.26 118.40 3fxt h ALA 81 Ca -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fxt h ALA 81 Cb 1.28 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3fxt h ALA 81 CO 0.14 0.40 0.38 0.28 0.00 0.00 0.00 179.25 180.45 3fxt h VAL 82 N 0.80 0.92 0.07 0.00 2.07 -0.82 0.25 116.25 119.53 3fxt h VAL 82 Ca 0.18 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3fxt h VAL 82 Cb 0.27 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3fxt h VAL 82 CO -0.01 0.12 -0.03 1.56 0.02 0.00 0.00 177.57 179.23 3fxt h GLN 83 N 0.67 -0.09 -0.80 1.57 1.08 -1.25 0.11 115.11 116.40 3fxt h GLN 83 Ca 0.33 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.67 3fxt h GLN 83 Cb 0.27 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.63 3fxt h GLN 83 CO -0.22 -0.00 0.39 0.37 -0.95 0.00 0.00 178.83 178.42 3fxt h GLN 84 N -0.16 0.56 -0.26 1.46 -0.00 -0.66 -1.06 115.11 115.00 3fxt h GLN 84 Ca -0.01 -0.03 -0.18 0.00 -0.00 0.00 0.00 58.65 58.43 3fxt h GLN 84 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.48 3fxt h GLN 84 CO 0.02 0.37 -0.53 -1.49 0.00 0.00 0.00 178.83 177.20 3fxt h TRP 85 N 0.58 1.04 -0.66 3.99 6.55 -0.10 -0.63 115.95 126.72 3fxt h TRP 85 Ca 0.43 -0.38 0.02 0.00 0.95 0.00 0.00 58.89 59.91 3fxt h TRP 85 Cb 0.58 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 28.65 3fxt h TRP 85 CO -0.11 1.20 0.42 0.00 -1.05 0.00 0.00 178.44 178.90 3fxt h ARG 86 N 0.58 0.82 -0.04 0.49 3.08 -0.50 -1.61 114.38 117.21 3fxt h ARG 86 Ca 0.01 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3fxt h ARG 86 Cb 1.14 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3fxt h ARG 86 CO 0.12 0.54 -0.47 0.66 -1.07 0.00 0.00 179.97 179.75 3fxt h SER 87 N 0.84 0.10 0.58 7.04 4.64 -1.04 -0.97 113.55 124.75 3fxt h SER 87 Ca 0.25 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3fxt h SER 87 Cb -0.04 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3fxt h SER 87 CO -0.08 0.56 0.00 -0.62 -0.87 0.00 0.00 176.83 175.82 3fxt n GLU 88 N -3.98 0.09 -1.13 4.77 1.02 -0.26 -4.90 120.64 116.26 3fxt n GLU 88 Ca -0.02 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3fxt n GLU 88 Cb 0.50 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3fxt n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fxt n GLY 89 N -0.07 0.46 3.81 0.62 0.00 -0.37 -5.05 105.19 104.59 3fxt n GLY 89 Ca 0.03 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.28 2.91 -0.11 1.61 1.81 -0.65 -4.99 118.95 117.24 3fxt s ARG 90 Ca 0.00 1.05 -0.17 0.00 -1.72 0.00 0.00 55.73 54.88 3fxt s ARG 90 Cb 0.00 -1.98 -0.27 0.00 -0.45 0.00 0.00 34.95 32.25 3fxt s ARG 90 CO 0.00 -1.13 0.58 1.15 -0.68 0.00 0.00 175.30 175.22 3fxt h THR 91 N -0.54 1.10 -2.74 0.02 2.02 -0.41 -3.38 112.91 108.98 3fxt h THR 91 Ca -0.44 -2.40 0.05 0.00 0.77 0.00 0.00 66.41 64.39 3fxt h THR 91 Cb 1.22 2.76 -0.11 0.00 -1.74 0.00 0.00 68.15 70.27 3fxt h THR 91 CO 0.56 0.68 0.32 0.00 0.37 0.00 0.00 175.52 177.44 3fxt s ALA 92 N -2.45 -1.60 -0.05 6.16 0.00 -1.26 -0.54 121.76 122.03 3fxt s ALA 92 Ca -0.20 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.26 3fxt s ALA 92 Cb 0.04 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 3fxt s ALA 92 CO 0.76 -0.82 -0.20 0.08 0.00 0.00 0.00 175.76 175.58 3fxt s VAL 93 N -3.56 1.62 -0.12 0.00 1.01 -0.04 -0.80 120.40 118.51 3fxt s VAL 93 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3fxt s VAL 93 Cb -0.02 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3fxt s VAL 93 CO -0.07 0.46 -0.21 0.26 0.00 0.00 0.00 175.10 175.54 3fxt s TRP 94 N -0.03 2.64 -0.21 5.22 0.52 0.54 -1.30 118.94 126.31 3fxt s TRP 94 Ca -0.04 -1.04 -0.02 0.00 0.02 0.00 0.00 56.10 55.02 3fxt s TRP 94 Cb -0.12 -1.76 0.00 0.00 -1.15 0.00 0.00 33.47 30.44 3fxt s TRP 94 CO 0.03 -0.43 -0.09 -0.51 0.02 0.00 0.00 176.95 175.97 3fxt s LEU 95 N 0.47 2.73 -0.27 2.99 1.43 -0.24 -0.50 118.68 125.29 3fxt s LEU 95 Ca -0.14 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 3fxt s LEU 95 Cb -0.17 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3fxt s LEU 95 CO 0.06 -0.03 0.23 -1.00 0.23 0.00 0.00 176.35 175.83 3fxt s HIS 96 N 1.40 3.25 -0.23 0.29 3.76 0.65 -0.91 115.29 123.50 3fxt s HIS 96 Ca 0.05 0.22 -0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3fxt s HIS 96 Cb -0.14 -2.40 0.06 0.00 1.11 0.00 0.00 32.58 31.21 3fxt s HIS 96 CO -0.06 -0.12 -0.01 0.42 -0.85 0.00 0.00 174.74 174.12 3fxt s ILE 97 N 1.66 1.20 0.45 0.60 1.01 -0.26 -1.35 121.20 124.52 3fxt s ILE 97 Ca 0.09 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 3fxt s ILE 97 Cb -0.15 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.63 3fxt s ILE 97 CO 0.09 -0.20 1.04 -2.65 0.00 0.00 0.00 174.94 173.23 3fxt n PRO 98 N 4.78 1.38 -0.36 2.79 -0.02 -1.26 -1.62 135.00 140.69 3fxt n PRO 98 Ca -0.10 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 3fxt n PRO 98 Cb 0.45 -2.11 0.22 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.47 0.99 0.00 4.25 2.10 -1.19 0.18 117.51 125.32 3fxt h ILE 99 Ca -0.46 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.12 3fxt h ILE 99 Cb 1.33 -0.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 3fxt h ILE 99 CO 0.56 0.19 0.00 0.18 -1.08 0.00 0.00 178.15 178.01 3fxt n LEU 100 N -4.56 0.29 -1.74 2.19 4.77 -1.26 -1.71 117.00 114.98 3fxt n LEU 100 Ca 0.17 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 56.61 3fxt n LEU 100 Cb 0.28 -0.54 0.22 0.00 -2.33 0.00 0.00 43.42 41.06 3fxt n LEU 100 CO 0.30 -0.39 1.00 0.00 -1.33 0.00 0.00 177.39 176.97 3fxt n GLN 101 N -1.82 2.51 0.00 3.23 6.02 0.05 -4.68 117.38 122.68 3fxt n GLN 101 Ca 0.03 -3.07 0.08 0.00 -0.01 0.00 0.00 57.00 54.02 3fxt n GLN 101 Cb 0.19 -2.05 0.40 0.00 1.02 0.00 0.00 30.24 29.81 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 -0.87 0.00 0.27 1.08 7.64 -0.69 -2.33 113.62 118.72 3fxt n SER 102 Ca 0.44 0.10 0.18 0.00 1.01 0.00 0.00 58.87 60.60 3fxt n SER 102 Cb 1.35 -0.31 0.88 0.00 -1.01 0.00 0.00 64.21 65.12 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 -1.06 114.38 113.00 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 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 3fxt h ARG 103 CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 3fxt n PHE 104 N -3.25 0.04 0.03 4.08 3.72 -0.98 -4.33 117.46 116.75 3fxt n PHE 104 Ca 0.00 0.01 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 3fxt n PHE 104 Cb 0.35 -0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 38.30 3fxt n PHE 104 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3fxt h ILE 105 N 0.00 0.92 -0.49 4.37 2.04 -1.43 -2.83 117.51 120.08 3fxt h ILE 105 Ca 0.00 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 64.65 3fxt h ILE 105 Cb 0.51 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 3fxt h ILE 105 CO 0.00 0.25 0.21 0.00 0.00 0.00 0.00 178.15 178.61 3fxt h ALA 106 N -0.28 0.62 -0.44 1.87 0.00 -1.76 0.23 119.26 119.49 3fxt h ALA 106 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3fxt h ALA 106 Cb 0.54 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3fxt h ALA 106 CO 0.03 -0.17 -0.01 -1.35 0.00 0.00 0.00 179.25 177.75 3fxt h PRO 107 N 0.41 0.09 -0.94 0.00 0.11 -1.78 0.24 132.00 130.14 3fxt h PRO 107 Ca 0.23 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.38 3fxt h PRO 107 Cb 0.20 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.23 3fxt h PRO 107 CO -0.20 0.06 0.61 0.00 -0.21 0.00 0.00 178.00 178.27 3fxt h ALA 108 N 1.39 1.42 -0.66 -0.75 0.00 -1.04 -2.70 119.26 116.92 3fxt h ALA 108 Ca 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3fxt h ALA 108 Cb 0.32 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3fxt h ALA 108 CO -0.37 0.47 0.21 0.00 0.00 0.00 0.00 179.25 179.55 3fxt h ALA 109 N 1.46 1.12 -0.95 0.00 0.00 0.13 -1.63 119.26 119.40 3fxt h ALA 109 Ca 0.38 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3fxt h ALA 109 Cb 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3fxt h ALA 109 CO -0.13 0.60 0.61 0.66 0.00 0.00 0.00 179.25 181.00 3fxt h SER 110 N 0.97 1.00 0.00 0.00 4.64 -0.75 -0.47 113.55 118.94 3fxt h SER 110 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3fxt h SER 110 Cb 0.27 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3fxt h SER 110 CO -0.01 0.67 0.00 0.18 -0.87 0.00 0.00 176.83 176.80 3fxt n LEU 111 N -4.51 0.04 0.00 5.97 4.77 -0.75 -4.85 117.00 117.66 3fxt n LEU 111 Ca 0.13 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3fxt n LEU 111 Cb 0.13 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3fxt n LEU 111 CO 0.33 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3fxt n GLY 112 N 0.38 0.67 3.78 -0.72 0.00 -0.18 -5.08 105.19 104.04 3fxt n GLY 112 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.26 2.81 0.18 1.61 0.40 -0.69 -4.78 117.98 115.25 3fxt s PHE 113 Ca 0.00 1.55 0.04 0.00 -0.60 0.00 0.00 56.93 57.92 3fxt s PHE 113 Cb 0.00 -3.16 -0.05 0.00 0.51 0.00 0.00 43.02 40.33 3fxt s PHE 113 CO 0.00 -1.31 -0.07 0.00 0.70 0.00 0.00 175.22 174.54 3fxt s PHE 115 N -3.34 3.33 -0.25 0.00 0.08 -1.26 -0.13 117.98 116.40 3fxt s PHE 115 Ca 0.21 1.33 0.03 0.00 0.12 0.00 0.00 56.93 58.62 3fxt s PHE 115 Cb 0.03 -3.52 -0.18 0.00 -0.57 0.00 0.00 43.02 38.78 3fxt s PHE 115 CO 0.04 -1.55 -0.19 1.58 -0.10 0.00 0.00 175.22 174.99 3fxt n HIS 116 N 2.43 0.03 -3.61 0.36 -0.00 0.44 -4.79 115.22 110.08 3fxt n HIS 116 Ca 0.05 0.01 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 3fxt n HIS 116 Cb 0.44 -1.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.36 3fxt n HIS 116 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3fxt s HIS 117 N -2.52 -0.57 -0.07 1.57 5.65 -1.06 -5.00 115.29 113.30 3fxt s HIS 117 Ca -0.33 1.26 -0.03 0.00 0.25 0.00 0.00 55.06 56.22 3fxt s HIS 117 Cb 0.09 0.36 0.04 0.00 -1.18 0.00 0.00 32.58 31.89 3fxt s HIS 117 CO 0.62 -0.35 0.14 0.00 -0.65 0.00 0.00 174.74 174.50 3fxt s ALA 118 N -0.21 -0.12 -0.16 1.58 0.00 -1.26 0.10 121.76 121.68 3fxt s ALA 118 Ca -0.01 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 3fxt s ALA 118 Cb -0.03 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.47 3fxt s ALA 118 CO -0.00 -0.44 0.39 -2.00 0.00 0.00 0.00 175.76 173.72 3fxt s GLU 119 N 1.95 0.37 5.71 0.00 2.12 -0.77 -5.01 118.70 123.09 3fxt s GLU 119 Ca -0.00 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.09 3fxt s GLU 119 Cb -0.12 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.24 3fxt s GLU 119 CO -0.05 -0.16 0.00 0.45 -0.54 0.00 0.00 175.26 174.96 3fxt n SER 120 N 4.26 0.00 -0.58 -1.70 2.88 -1.26 -2.86 113.62 114.35 3fxt n SER 120 Ca -0.24 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.38 3fxt n SER 120 Cb 0.55 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.20 3fxt n SER 120 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3fxt n ASP 121 N 10.72 3.19 -3.77 -3.46 5.75 -1.26 -4.95 116.55 122.76 3fxt n ASP 121 Ca 0.00 -2.73 -0.09 0.00 -0.01 0.00 0.00 54.79 51.97 3fxt n ASP 121 Cb 0.00 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 3fxt n ASP 121 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fxt s SER 122 N -1.85 -0.29 0.12 -1.12 1.04 -1.14 -0.58 113.70 109.89 3fxt s SER 122 Ca 0.32 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3fxt s SER 122 Cb 0.25 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 3fxt s SER 122 CO 0.08 -1.18 -0.06 -0.94 0.98 0.00 0.00 173.24 172.12 3fxt s SER 123 N -2.89 1.33 -0.09 7.02 1.04 -0.64 -1.84 113.70 117.62 3fxt s SER 123 Ca 0.10 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.51 3fxt s SER 123 Cb -0.03 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.17 3fxt s SER 123 CO 0.01 -0.45 -0.14 -0.89 0.98 0.00 0.00 173.24 172.75 3fxt s THR 124 N -3.55 1.38 0.25 2.02 2.01 0.11 -1.10 115.64 116.77 3fxt s THR 124 Ca 0.15 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.63 3fxt s THR 124 Cb 0.05 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3fxt s THR 124 CO -0.02 0.42 0.24 -0.76 -0.69 0.00 0.00 174.62 173.81 3fxt s LEU 125 N 0.91 3.96 -0.01 4.42 1.43 -0.08 -0.42 118.68 128.87 3fxt s LEU 125 Ca -0.09 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3fxt s LEU 125 Cb -0.15 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.58 3fxt s LEU 125 CO 0.00 -0.05 0.10 0.28 0.23 0.00 0.00 176.35 176.92 3fxt s THR 126 N -2.09 0.05 -0.12 5.49 -1.32 0.81 -1.08 115.64 117.39 3fxt s THR 126 Ca 0.33 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 60.36 3fxt s THR 126 Cb -0.08 -0.30 0.03 0.00 -1.51 0.00 0.00 72.50 70.64 3fxt s THR 126 CO 0.26 -0.25 -0.05 -0.22 -2.21 0.00 0.00 174.62 172.16 3fxt s LEU 127 N -0.81 1.19 0.00 9.08 2.96 -0.42 -1.40 118.68 129.28 3fxt s LEU 127 Ca -0.09 -0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 53.18 3fxt s LEU 127 Cb -0.05 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 3fxt s LEU 127 CO 0.01 -0.16 0.80 0.86 -1.32 0.00 0.00 176.35 176.53 3fxt s TRP 128 N 1.75 3.67 -0.11 5.38 -0.11 -1.26 -0.86 118.94 127.39 3fxt s TRP 128 Ca 0.04 1.46 0.08 0.00 1.22 0.00 0.00 56.10 58.90 3fxt s TRP 128 Cb -0.13 -2.89 -0.13 0.00 -1.50 0.00 0.00 33.47 28.82 3fxt s TRP 128 CO -0.08 0.15 0.01 1.28 -4.62 0.00 0.00 176.95 173.70 3fxt n LEU 129 N 3.35 0.45 -4.74 5.86 4.77 0.30 -4.97 117.00 122.04 3fxt n LEU 129 Ca -0.00 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 3fxt n LEU 129 Cb 0.51 0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.83 3fxt n LEU 129 CO 0.48 0.34 0.80 -0.60 -1.33 0.00 0.00 177.39 177.08 3fxt s ARG 130 N -2.27 2.40 0.00 3.23 3.52 -1.00 -5.00 118.95 119.83 3fxt s ARG 130 Ca -0.07 1.71 0.26 0.00 -0.13 0.00 0.00 55.73 57.50 3fxt s ARG 130 Cb 0.03 -1.87 0.58 0.00 -1.56 0.00 0.00 34.95 32.13 3fxt s ARG 130 CO 0.43 -1.62 1.48 0.39 -0.81 0.00 0.00 175.30 175.16