#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxt s MET 44 N 0.00 4.24 -0.04 -1.46 0.00 -1.26 -4.99 119.30 115.79 3fxt s MET 44 Ca 0.00 1.88 -0.30 0.00 0.00 0.00 0.00 55.69 57.28 3fxt s MET 44 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 34.83 31.03 3fxt s MET 44 CO 0.00 -0.70 1.01 0.34 0.00 0.00 0.00 175.02 175.67 3fxt s ASP 45 N 2.32 7.29 0.00 1.11 2.15 -1.26 -4.85 116.67 123.43 3fxt s ASP 45 Ca 0.62 1.64 0.17 0.00 0.43 0.00 0.00 52.55 55.41 3fxt s ASP 45 Cb -0.27 -2.56 0.20 0.00 -0.30 0.00 0.00 42.92 39.98 3fxt s ASP 45 CO 0.22 -0.36 1.12 0.18 -0.17 0.00 0.00 175.17 176.16 3fxt n LEU 46 N 4.38 2.65 -3.98 -1.34 4.32 -1.26 -4.99 117.00 116.77 3fxt n LEU 46 Ca 0.07 -1.18 -0.32 0.00 -0.02 0.00 0.00 56.01 54.56 3fxt n LEU 46 Cb 0.50 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 42.22 3fxt n LEU 46 CO 0.52 0.51 0.01 0.00 -1.22 0.00 0.00 177.39 177.21 3fxt n GLN 47 N 1.01 -3.81 -2.65 3.23 6.02 -1.26 -4.86 117.38 115.06 3fxt n GLN 47 Ca 0.12 0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 57.15 3fxt n GLN 47 Cb 0.46 -5.22 -0.05 0.00 1.02 0.00 0.00 30.24 26.45 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 -3.17 3.03 0.13 1.08 0.00 -1.26 -4.88 107.32 102.25 3fxt s GLY 48 Ca 0.67 0.70 -0.13 0.00 0.00 0.00 0.00 44.72 45.95 3fxt s GLY 48 CO 0.82 1.39 0.50 -0.54 0.00 0.00 0.00 173.10 175.28 3fxt s GLU 49 N -0.81 3.91 -0.22 2.90 2.02 -0.69 -4.89 118.70 120.91 3fxt s GLU 49 Ca 0.45 0.39 -0.11 0.00 0.02 0.00 0.00 54.97 55.71 3fxt s GLU 49 Cb -0.27 -2.94 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 3fxt s GLU 49 CO 0.34 0.50 0.17 -1.17 0.02 0.00 0.00 175.26 175.11 3fxt s LEU 50 N -1.97 4.15 0.43 1.80 2.96 -1.26 -0.91 118.68 123.87 3fxt s LEU 50 Ca 0.37 0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.54 3fxt s LEU 50 Cb -0.15 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.42 3fxt s LEU 50 CO 0.19 0.09 0.55 1.51 -1.32 0.00 0.00 176.35 177.37 3fxt s ASP 51 N 0.83 5.51 0.26 3.68 1.47 -0.62 -5.01 116.67 122.81 3fxt s ASP 51 Ca 0.09 -0.51 0.20 0.00 1.18 0.00 0.00 52.55 53.51 3fxt s ASP 51 Cb -0.13 -0.58 1.00 0.00 -0.34 0.00 0.00 42.92 42.87 3fxt s ASP 51 CO 0.03 -0.78 1.62 -2.11 0.68 0.00 0.00 175.17 174.61 3fxt n ARG 52 N -1.82 0.14 -0.09 2.11 1.85 -1.26 -1.59 116.66 116.01 3fxt n ARG 52 Ca 0.08 0.54 0.10 0.00 -1.00 0.00 0.00 57.85 57.56 3fxt n ARG 52 Cb 0.60 -1.88 0.35 0.00 -1.05 0.00 0.00 32.46 30.48 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 -2.17 0.24 -1.04 2.89 3.72 -1.26 -4.92 117.46 114.92 3fxt n PHE 53 Ca 0.00 -0.12 -0.01 0.00 -0.05 0.00 0.00 57.45 57.27 3fxt n PHE 53 Cb 0.11 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.14 0.51 3.85 1.37 0.00 -0.62 -4.65 105.19 106.79 3fxt n GLY 54 Ca 0.16 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.85 2.11 -0.19 -0.02 0.00 -1.25 -0.08 107.32 105.04 3fxt s GLY 55 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 43.78 3fxt s GLY 55 CO 0.00 -0.84 -0.01 -0.42 0.00 0.00 0.00 173.10 171.83 3fxt s ILE 56 N -1.40 3.99 -0.22 0.90 -1.09 0.20 -1.58 121.20 121.99 3fxt s ILE 56 Ca 0.30 -0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 58.34 3fxt s ILE 56 Cb -0.13 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 3fxt s ILE 56 CO 0.23 0.44 0.07 -0.44 -1.23 0.00 0.00 174.94 174.01 3fxt s SER 57 N 0.81 5.41 -0.17 3.58 0.01 -0.09 0.11 113.70 123.37 3fxt s SER 57 Ca 0.00 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 3fxt s SER 57 Cb -0.14 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3fxt s SER 57 CO 0.02 0.07 -0.03 -0.69 0.41 0.00 0.00 173.24 173.02 3fxt s VAL 58 N 1.00 3.82 -0.26 3.43 1.01 0.75 -1.71 120.40 128.43 3fxt s VAL 58 Ca 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3fxt s VAL 58 Cb -0.14 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3fxt s VAL 58 CO 0.03 0.47 -0.06 -0.13 0.00 0.00 0.00 175.10 175.41 3fxt s ARG 59 N 0.60 2.70 0.38 2.72 0.52 -1.26 -0.58 118.95 124.03 3fxt s ARG 59 Ca -0.02 -1.06 0.15 0.00 -0.52 0.00 0.00 55.73 54.27 3fxt s ARG 59 Cb -0.14 -3.00 0.76 0.00 0.52 0.00 0.00 34.95 33.09 3fxt s ARG 59 CO 0.02 -0.45 1.82 -0.07 0.02 0.00 0.00 175.30 176.65 3fxt h LEU 60 N 7.98 0.00 -2.63 2.53 -0.00 -1.60 -1.21 115.31 120.39 3fxt h LEU 60 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 3fxt h LEU 60 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 3fxt h LEU 60 CO 0.56 0.37 0.00 0.00 -0.00 0.00 0.00 178.44 179.36 3fxt h ALA 61 N 1.63 1.00 0.00 1.53 0.00 -1.84 0.15 119.26 121.74 3fxt h ALA 61 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 3fxt h ALA 61 Cb 0.69 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3fxt h ALA 61 CO 0.05 0.00 -2.50 0.54 0.00 0.00 0.00 179.25 177.34 3fxt n ARG 62 N -3.02 0.62 -0.33 0.00 5.12 -0.58 -3.18 116.66 115.29 3fxt n ARG 62 Ca -0.02 0.22 -0.02 0.00 -1.93 0.00 0.00 57.85 56.09 3fxt n ARG 62 Cb 0.11 -1.51 0.13 0.00 -1.16 0.00 0.00 32.46 30.02 3fxt n ARG 62 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3fxt h LEU 63 N -0.55 1.09 -5.77 0.55 5.85 -1.17 -3.32 115.31 111.99 3fxt h LEU 63 Ca -0.64 -0.06 -0.48 0.00 0.84 0.00 0.00 57.88 57.54 3fxt h LEU 63 Cb 1.74 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 42.10 3fxt h LEU 63 CO -0.27 0.83 -1.14 -0.67 -0.34 0.00 0.00 178.44 176.85 3fxt n ASP 64 N -4.36 1.32 0.02 1.25 4.64 0.51 -4.94 116.55 114.99 3fxt n ASP 64 Ca 0.10 -3.05 0.21 0.00 -1.38 0.00 0.00 54.79 50.68 3fxt n ASP 64 Cb 0.06 -0.60 0.72 0.00 -1.04 0.00 0.00 41.12 40.26 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 2.99 2.38 -0.02 -1.67 0.00 -1.64 -1.15 119.26 120.15 3fxt h ALA 65 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fxt h ALA 65 Cb 0.95 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3fxt h ALA 65 CO 0.54 -0.68 -0.16 1.28 0.00 0.00 0.00 179.25 180.23 3fxt n LEU 66 N -4.13 1.98 -2.91 0.00 4.77 -1.26 -4.99 117.00 110.46 3fxt n LEU 66 Ca 0.09 -0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 55.28 3fxt n LEU 66 Cb 0.63 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.76 3fxt n LEU 66 CO 0.34 0.34 0.06 -0.67 -1.33 0.00 0.00 177.39 176.14 3fxt n ASP 67 N 0.32 -3.31 0.00 -1.43 2.03 -0.43 -4.95 116.55 108.77 3fxt n ASP 67 Ca 0.14 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.93 3fxt n ASP 67 Cb 0.45 -4.18 0.00 0.00 -0.72 0.00 0.00 41.12 36.67 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 -3.26 2.98 -2.54 -0.67 1.74 -1.26 -5.06 116.66 108.58 3fxt n ARG 68 Ca -0.17 -0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.37 3fxt n ARG 68 Cb 0.62 -0.54 -0.03 0.00 -1.02 0.00 0.00 32.46 31.49 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 -0.92 4.41 0.26 0.55 2.96 -1.26 -5.00 118.68 119.67 3fxt s LEU 69 Ca 0.00 1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 55.53 3fxt s LEU 69 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 3fxt s LEU 69 CO 0.00 -0.33 1.10 -0.62 -1.32 0.00 0.00 176.35 175.19 3fxt s ASP 70 N 0.70 7.26 0.18 3.68 2.15 -1.26 -4.95 116.67 124.44 3fxt s ASP 70 Ca 0.54 2.25 -0.13 0.00 0.43 0.00 0.00 52.55 55.64 3fxt s ASP 70 Cb -0.27 -2.62 0.09 0.00 -0.30 0.00 0.00 42.92 39.82 3fxt s ASP 70 CO 0.30 -0.16 1.84 0.00 -0.17 0.00 0.00 175.17 176.98 3fxt h ALA 71 N 4.04 0.74 -0.86 3.66 0.00 -1.94 -0.38 119.26 124.53 3fxt h ALA 71 Ca -0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3fxt h ALA 71 Cb 1.21 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3fxt h ALA 71 CO 0.68 0.20 0.45 0.00 0.00 0.00 0.00 179.25 180.57 3fxt h ALA 72 N 1.20 1.10 -0.70 0.00 0.00 -1.94 -0.90 119.26 118.03 3fxt h ALA 72 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fxt h ALA 72 Cb -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3fxt h ALA 72 CO -0.04 0.63 0.35 0.00 0.00 0.00 0.00 179.25 180.19 3fxt h ALA 73 N 1.24 0.90 -0.62 0.00 0.00 -1.83 -2.55 119.26 116.40 3fxt h ALA 73 Ca 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fxt h ALA 73 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3fxt h ALA 73 CO -0.04 0.45 0.23 0.35 0.00 0.00 0.00 179.25 180.24 3fxt h PHE 74 N 0.97 0.96 -0.06 0.00 3.57 -0.49 -2.35 116.94 119.53 3fxt h PHE 74 Ca 0.24 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3fxt h PHE 74 Cb 0.10 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3fxt h PHE 74 CO 0.00 0.77 -0.03 0.37 -2.23 0.00 0.00 178.31 177.19 3fxt h GLN 75 N 0.87 -0.03 -0.77 1.11 4.15 -0.96 0.26 115.11 119.75 3fxt h GLN 75 Ca 0.21 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.66 3fxt h GLN 75 Cb 0.23 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 3fxt h GLN 75 CO -0.01 -0.02 0.49 0.87 -1.93 0.00 0.00 178.83 178.23 3fxt h LYS 76 N -0.03 0.94 -0.53 1.69 1.57 -1.39 -0.21 116.57 118.60 3fxt h LYS 76 Ca 0.04 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3fxt h LYS 76 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3fxt h LYS 76 CO -0.08 0.62 -0.14 0.78 -0.57 0.00 0.00 179.45 180.06 3fxt h GLY 77 N 0.96 1.12 1.51 3.86 0.00 -1.12 -2.59 103.07 106.82 3fxt h GLY 77 Ca 0.30 -0.93 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 3fxt h GLY 77 CO -0.10 0.85 -0.41 -2.00 0.00 0.00 0.00 176.54 174.87 3fxt h LEU 78 N 0.91 0.57 -0.09 3.11 5.85 -0.11 -2.16 115.31 123.39 3fxt h LEU 78 Ca 0.13 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3fxt h LEU 78 Cb 0.72 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3fxt h LEU 78 CO 0.05 0.92 0.01 -0.61 -0.34 0.00 0.00 178.44 178.48 3fxt h GLN 79 N 0.44 0.14 -0.56 1.25 4.15 -1.00 -1.54 115.11 118.00 3fxt h GLN 79 Ca 0.04 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.43 3fxt h GLN 79 Cb 0.91 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 3fxt h GLN 79 CO 0.08 0.36 0.35 0.00 -1.93 0.00 0.00 178.83 177.69 3fxt h ALA 80 N 0.78 0.71 -0.03 3.38 0.00 -1.46 -2.60 119.26 120.05 3fxt h ALA 80 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3fxt h ALA 80 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fxt h ALA 80 CO 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 179.25 179.12 3fxt h ALA 81 N 1.23 1.57 -0.02 0.00 0.00 -1.27 -2.07 119.26 118.69 3fxt h ALA 81 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3fxt h ALA 81 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fxt h ALA 81 CO -0.07 0.32 -0.26 0.28 0.00 0.00 0.00 179.25 179.51 3fxt h VAL 82 N 0.04 1.49 -0.86 0.00 2.07 -0.94 -0.83 116.25 117.23 3fxt h VAL 82 Ca 0.01 -1.82 0.07 0.00 0.82 0.00 0.00 66.70 65.77 3fxt h VAL 82 Cb 0.43 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 3fxt h VAL 82 CO 0.03 0.51 0.56 1.56 0.02 0.00 0.00 177.57 180.25 3fxt h GLN 83 N -0.38 0.91 0.09 1.57 4.20 -1.40 0.21 115.11 120.33 3fxt h GLN 83 Ca -0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3fxt h GLN 83 Cb 0.97 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3fxt h GLN 83 CO 0.05 0.61 -0.04 0.37 -0.67 0.00 0.00 178.83 179.14 3fxt h GLN 84 N 0.94 -0.12 -0.16 1.46 5.75 -1.34 -2.42 115.11 119.23 3fxt h GLN 84 Ca 0.37 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.78 3fxt h GLN 84 Cb 0.24 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3fxt h GLN 84 CO -0.14 0.05 -0.36 -1.49 -2.65 0.00 0.00 178.83 174.24 3fxt h TRP 85 N -0.27 0.39 0.30 3.99 6.55 -0.53 -1.82 115.95 124.56 3fxt h TRP 85 Ca -0.01 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 59.72 3fxt h TRP 85 Cb 0.23 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.44 3fxt h TRP 85 CO -0.02 0.66 -0.18 0.00 -1.05 0.00 0.00 178.44 177.85 3fxt h ARG 86 N 0.29 -0.43 0.00 0.49 3.08 -0.60 -0.77 114.38 116.43 3fxt h ARG 86 Ca 0.03 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3fxt h ARG 86 Cb 0.78 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3fxt h ARG 86 CO 0.06 -0.28 0.00 -1.13 -1.07 0.00 0.00 179.97 177.55 3fxt n SER 87 N -3.35 0.32 -1.21 7.04 3.41 -0.91 0.76 113.62 119.67 3fxt n SER 87 Ca -0.05 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 3fxt n SER 87 Cb 0.18 -0.66 0.28 0.00 -0.26 0.00 0.00 64.21 63.75 3fxt n SER 87 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3fxt n GLU 88 N -1.88 2.74 -2.42 4.33 0.28 -0.69 -4.99 120.64 118.02 3fxt n GLU 88 Ca 0.01 -2.24 -0.01 0.00 -0.16 0.00 0.00 57.16 54.76 3fxt n GLU 88 Cb 0.12 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.40 3fxt n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fxt n GLY 89 N 1.27 0.78 3.91 -1.84 0.00 0.23 -5.02 105.19 104.53 3fxt n GLY 89 Ca 0.21 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.82 3.53 -0.08 1.61 1.81 -0.33 -5.04 118.95 115.63 3fxt s ARG 90 Ca 0.02 0.09 -0.01 0.00 -1.72 0.00 0.00 55.73 54.11 3fxt s ARG 90 Cb -0.01 -2.43 -0.00 0.00 -0.45 0.00 0.00 34.95 32.06 3fxt s ARG 90 CO 0.02 -0.14 -0.02 1.15 -0.68 0.00 0.00 175.30 175.63 3fxt h THR 91 N 0.33 0.00 -3.03 0.02 2.02 -0.76 -3.36 112.91 108.13 3fxt h THR 91 Ca -0.47 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 3fxt h THR 91 Cb 1.21 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.44 3fxt h THR 91 CO 0.62 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 176.34 3fxt s ALA 92 N -2.68 -0.91 -0.18 6.16 0.00 -1.26 -0.20 121.76 122.69 3fxt s ALA 92 Ca -0.02 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 3fxt s ALA 92 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 3fxt s ALA 92 CO 0.03 -0.39 0.01 0.08 0.00 0.00 0.00 175.76 175.49 3fxt s VAL 93 N -2.11 4.27 -0.17 0.00 1.01 -0.21 -0.63 120.40 122.56 3fxt s VAL 93 Ca -0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3fxt s VAL 93 Cb -0.02 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3fxt s VAL 93 CO -0.00 0.46 -0.02 0.26 0.00 0.00 0.00 175.10 175.80 3fxt s TRP 94 N 0.54 3.04 -0.20 5.22 0.52 0.12 -1.74 118.94 126.44 3fxt s TRP 94 Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 56.10 55.75 3fxt s TRP 94 Cb -0.14 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 3fxt s TRP 94 CO 0.02 -0.10 -0.06 -0.51 0.02 0.00 0.00 176.95 176.32 3fxt s LEU 95 N 0.58 2.85 -0.27 2.99 1.43 0.03 -0.18 118.68 126.12 3fxt s LEU 95 Ca -0.02 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3fxt s LEU 95 Cb -0.14 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3fxt s LEU 95 CO 0.02 0.03 0.10 -1.00 0.23 0.00 0.00 176.35 175.73 3fxt s HIS 96 N 1.19 3.12 -0.23 0.29 3.76 0.25 0.02 115.29 123.70 3fxt s HIS 96 Ca 0.02 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.48 3fxt s HIS 96 Cb -0.14 -2.28 0.06 0.00 1.11 0.00 0.00 32.58 31.33 3fxt s HIS 96 CO -0.02 -0.38 -0.01 0.42 -0.85 0.00 0.00 174.74 173.90 3fxt s ILE 97 N 1.62 1.19 0.47 0.60 1.01 -0.15 -1.29 121.20 124.66 3fxt s ILE 97 Ca 0.06 -1.06 -0.23 0.00 0.00 0.00 0.00 60.65 59.41 3fxt s ILE 97 Cb -0.16 -1.58 -0.08 0.00 0.01 0.00 0.00 42.46 40.65 3fxt s ILE 97 CO 0.05 -0.20 1.11 -2.65 0.00 0.00 0.00 174.94 173.25 3fxt n PRO 98 N 4.79 1.46 -0.18 2.79 -0.02 -1.26 -1.27 135.00 141.30 3fxt n PRO 98 Ca -0.10 0.53 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 3fxt n PRO 98 Cb 0.45 -2.23 0.29 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.45 1.14 0.00 4.25 2.10 -1.59 0.16 117.51 125.02 3fxt h ILE 99 Ca -0.47 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.16 3fxt h ILE 99 Cb 1.33 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 3fxt h ILE 99 CO 0.56 0.17 0.00 -0.07 -1.08 0.00 0.00 178.15 177.73 3fxt h LEU 100 N 0.91 0.00 -3.80 2.19 3.38 -1.90 -2.37 115.31 113.72 3fxt h LEU 100 Ca 0.27 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.95 3fxt h LEU 100 Cb -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.55 3fxt h LEU 100 CO -0.07 0.00 0.36 0.00 0.09 0.00 0.00 178.44 178.82 3fxt n GLN 101 N -2.58 3.37 0.00 1.13 6.02 0.54 -4.64 117.38 121.22 3fxt n GLN 101 Ca 0.01 -3.08 0.04 0.00 -0.01 0.00 0.00 57.00 53.96 3fxt n GLN 101 Cb 0.23 -2.21 0.20 0.00 1.02 0.00 0.00 30.24 29.48 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 -0.40 0.00 0.22 1.08 7.64 -0.89 -2.36 113.62 118.90 3fxt n SER 102 Ca 0.46 0.49 0.18 0.00 1.01 0.00 0.00 58.87 61.01 3fxt n SER 102 Cb 1.46 -0.50 0.84 0.00 -1.01 0.00 0.00 64.21 65.00 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 -1.87 -0.89 114.38 113.16 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 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 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 -3.52 0.00 0.08 4.08 3.72 -1.00 -4.27 117.46 116.56 3fxt n PHE 104 Ca 0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.30 3fxt n PHE 104 Cb 0.39 -0.47 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.81 0.14 4.37 2.04 -1.40 -2.98 117.51 120.49 3fxt h ILE 105 Ca 0.00 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.91 3fxt h ILE 105 Cb 0.46 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3fxt h ILE 105 CO 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 178.15 178.01 3fxt h ALA 106 N -0.26 -0.58 -0.88 1.87 0.00 -1.76 0.55 119.26 118.19 3fxt h ALA 106 Ca -0.03 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.05 3fxt h ALA 106 Cb 0.52 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 3fxt h ALA 106 CO 0.05 -0.89 0.33 -1.35 0.00 0.00 0.00 179.25 177.39 3fxt h PRO 107 N -0.57 0.30 -0.35 0.00 0.10 -1.78 0.95 132.00 130.65 3fxt h PRO 107 Ca 0.03 -0.02 -0.12 0.00 0.10 0.00 0.00 66.00 65.98 3fxt h PRO 107 Cb 0.59 -0.07 -0.01 0.00 0.10 0.00 0.00 31.00 31.61 3fxt h PRO 107 CO -0.18 0.20 -0.29 0.00 0.10 0.00 0.00 178.00 177.83 3fxt h ALA 108 N 1.74 0.84 -0.68 -0.75 0.00 -1.17 -2.88 119.26 116.36 3fxt h ALA 108 Ca 0.56 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3fxt h ALA 108 Cb 1.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3fxt h ALA 108 CO -0.58 0.64 0.22 0.00 0.00 0.00 0.00 179.25 179.52 3fxt h ALA 109 N 1.05 1.10 0.00 0.00 0.00 0.13 -1.78 119.26 119.76 3fxt h ALA 109 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fxt h ALA 109 Cb 0.80 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fxt h ALA 109 CO 0.07 0.62 -0.00 0.66 0.00 0.00 0.00 179.25 180.59 3fxt h SER 110 N 1.00 0.00 -0.65 0.00 4.64 -0.86 0.19 113.55 117.86 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 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3fxt h SER 110 CO -0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3fxt n LEU 111 N -3.11 3.54 0.00 5.97 4.77 -0.74 -4.95 117.00 122.47 3fxt n LEU 111 Ca -0.01 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 3fxt n LEU 111 Cb 0.18 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3fxt n LEU 111 CO 0.24 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 3fxt n GLY 112 N 1.52 0.51 3.79 -0.72 0.00 0.05 -5.08 105.19 105.27 3fxt n GLY 112 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.90 0.11 1.61 0.40 -0.77 -4.78 117.98 115.46 3fxt s PHE 113 Ca 0.00 1.55 -0.01 0.00 -0.60 0.00 0.00 56.93 57.87 3fxt s PHE 113 Cb 0.00 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.39 3fxt s PHE 113 CO 0.00 -1.12 0.02 0.00 0.70 0.00 0.00 175.22 174.83 3fxt s PHE 115 N -3.98 2.89 -0.25 0.00 0.08 -1.26 -0.87 117.98 114.59 3fxt s PHE 115 Ca 0.19 0.96 -0.15 0.00 0.12 0.00 0.00 56.93 58.05 3fxt s PHE 115 Cb 0.08 -3.92 -0.11 0.00 -0.57 0.00 0.00 43.02 38.49 3fxt s PHE 115 CO -0.02 -3.00 -0.31 1.58 -0.10 0.00 0.00 175.22 173.37 3fxt n HIS 116 N 2.08 0.09 -3.83 0.36 -0.00 -0.03 -4.83 115.22 109.06 3fxt n HIS 116 Ca 0.07 0.04 -0.06 0.00 -0.00 0.00 0.00 57.72 57.76 3fxt n HIS 116 Cb 0.39 -0.89 0.00 0.00 -0.00 0.00 0.00 29.99 29.49 3fxt n HIS 116 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 3fxt s HIS 117 N -2.58 -0.04 -0.01 1.57 0.00 -1.20 -5.04 115.29 108.00 3fxt s HIS 117 Ca -0.35 -0.47 0.00 0.00 -3.00 0.00 0.00 55.06 51.24 3fxt s HIS 117 Cb 0.12 0.74 0.01 0.00 -4.00 0.00 0.00 32.58 29.45 3fxt s HIS 117 CO 0.48 -1.25 -0.00 0.00 -1.00 0.00 0.00 174.74 172.97 3fxt s ALA 118 N -3.01 0.10 0.78 -1.38 0.00 -1.26 -0.93 121.76 116.07 3fxt s ALA 118 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 3fxt s ALA 118 Cb -0.04 -0.10 0.14 0.00 0.00 0.00 0.00 23.12 23.12 3fxt s ALA 118 CO 0.08 -0.02 1.08 -1.21 0.00 0.00 0.00 175.76 175.69 3fxt s GLU 119 N 0.32 1.43 0.23 0.00 2.02 0.67 -4.98 118.70 118.39 3fxt s GLU 119 Ca -0.03 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 3fxt s GLU 119 Cb -0.04 -2.19 0.38 0.00 0.10 0.00 0.00 34.13 32.38 3fxt s GLU 119 CO -0.01 -1.69 1.70 1.03 0.02 0.00 0.00 175.26 176.31 3fxt h SER 120 N -0.84 0.02 -0.02 -0.19 0.87 -2.04 -3.13 113.55 108.23 3fxt h SER 120 Ca -0.39 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3fxt h SER 120 Cb 1.26 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.39 3fxt h SER 120 CO 0.41 -0.01 -0.03 -0.90 -0.53 0.00 0.00 176.83 175.77 3fxt n ASP 121 N -5.14 2.43 -3.52 6.23 5.75 -1.26 -4.99 116.55 116.06 3fxt n ASP 121 Ca 0.12 -3.14 -0.11 0.00 -0.01 0.00 0.00 54.79 51.64 3fxt n ASP 121 Cb 0.39 -0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 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 -2.83 -0.49 0.16 -1.12 1.04 -1.18 -1.43 113.70 107.85 3fxt s SER 122 Ca 0.33 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.71 3fxt s SER 122 Cb 0.29 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 3fxt s SER 122 CO 0.03 -1.04 -0.17 -0.94 0.98 0.00 0.00 173.24 172.09 3fxt s SER 123 N -2.79 2.56 -0.13 7.02 1.04 -0.40 -0.24 113.70 120.77 3fxt s SER 123 Ca 0.03 -0.86 0.02 0.00 0.48 0.00 0.00 55.95 55.63 3fxt s SER 123 Cb -0.02 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.96 3fxt s SER 123 CO -0.09 -0.06 -0.21 -0.89 0.98 0.00 0.00 173.24 172.98 3fxt s THR 124 N -2.08 2.21 0.11 2.02 2.01 -0.11 -0.98 115.64 118.83 3fxt s THR 124 Ca 0.15 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.26 3fxt s THR 124 Cb -0.05 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 3fxt s THR 124 CO 0.06 0.54 0.04 -0.76 -0.69 0.00 0.00 174.62 173.82 3fxt s LEU 125 N 0.70 3.58 0.06 4.42 1.43 0.10 -0.85 118.68 128.12 3fxt s LEU 125 Ca -0.09 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3fxt s LEU 125 Cb -0.16 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3fxt s LEU 125 CO 0.01 0.14 -0.08 -0.89 0.23 0.00 0.00 176.35 175.76 3fxt s THR 126 N -1.46 0.67 -0.04 5.49 2.01 -0.05 -0.79 115.64 121.47 3fxt s THR 126 Ca 0.28 -1.37 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 3fxt s THR 126 Cb -0.11 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.44 3fxt s THR 126 CO 0.20 -0.51 0.05 -0.22 -0.69 0.00 0.00 174.62 173.46 3fxt s LEU 127 N -2.04 0.35 0.12 4.42 2.96 -0.71 -1.66 118.68 122.13 3fxt s LEU 127 Ca -0.02 0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 53.73 3fxt s LEU 127 Cb -0.06 -0.14 -0.07 0.00 0.50 0.00 0.00 46.19 46.43 3fxt s LEU 127 CO -0.01 -0.22 0.68 0.26 -1.32 0.00 0.00 176.35 175.74 3fxt s TRP 128 N 1.93 3.86 -0.13 5.38 0.51 -1.26 -1.04 118.94 128.18 3fxt s TRP 128 Ca 0.02 1.46 -0.03 0.00 -2.12 0.00 0.00 56.10 55.44 3fxt s TRP 128 Cb -0.12 -2.65 -0.07 0.00 -0.81 0.00 0.00 33.47 29.82 3fxt s TRP 128 CO -0.03 0.54 -0.15 1.28 -0.51 0.00 0.00 176.95 178.08 3fxt n LEU 129 N 1.70 2.06 -0.59 2.99 4.77 0.72 -4.98 117.00 123.68 3fxt n LEU 129 Ca -0.08 0.04 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3fxt n LEU 129 Cb 0.50 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3fxt n LEU 129 CO 0.44 0.52 0.48 0.54 -1.33 0.00 0.00 177.39 178.04