#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttf n SER 2 N 0.00 -8.24 0.00 4.52 7.64 -1.26 -4.97 113.62 111.31 1ttf n SER 2 Ca 0.00 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.53 1ttf n SER 2 Cb 0.00 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.45 1ttf n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ttf n ASP 3 N 1.90 0.81 -4.76 6.43 9.92 -1.26 -5.04 116.55 124.55 1ttf n ASP 3 Ca 0.00 -0.35 -0.41 0.00 -0.53 0.00 0.00 54.79 53.50 1ttf n ASP 3 Cb 0.00 0.85 -0.02 0.00 -0.64 0.00 0.00 41.12 41.32 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ttf s VAL 4 N -1.01 2.35 1.29 2.53 1.01 -1.26 -4.96 120.40 120.34 1ttf s VAL 4 Ca 0.00 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 1ttf s VAL 4 Cb 0.00 -3.20 0.33 0.00 0.00 0.00 0.00 36.38 33.51 1ttf s VAL 4 CO 0.00 0.06 0.94 -0.81 0.00 0.00 0.00 175.10 175.28 1ttf n PRO 5 N 1.79 -3.34 -3.81 2.72 -0.04 -1.26 -5.05 135.00 126.01 1ttf n PRO 5 Ca 0.05 -0.96 -0.08 0.00 -0.04 0.00 0.00 63.50 62.47 1ttf n PRO 5 Cb 0.39 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1ttf s ARG 6 N -4.55 1.65 -1.10 0.54 1.70 -1.26 -4.99 118.95 110.93 1ttf s ARG 6 Ca 0.68 -0.94 -0.16 0.00 -0.47 0.00 0.00 55.73 54.84 1ttf s ARG 6 Cb -0.21 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1ttf s ARG 6 CO 0.63 -0.74 0.84 -0.25 -1.08 0.00 0.00 175.30 174.70 1ttf n ASP 7 N -0.43 -5.84 -4.80 -2.89 8.00 -1.26 -3.17 116.55 106.17 1ttf n ASP 7 Ca -0.06 -0.90 -0.36 0.00 0.71 0.00 0.00 54.79 54.18 1ttf n ASP 7 Cb 0.61 -4.03 -0.07 0.00 -0.02 0.00 0.00 41.12 37.61 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ttf s LEU 8 N -6.06 4.27 -0.06 0.64 1.43 -1.26 -4.16 118.68 113.48 1ttf s LEU 8 Ca 0.46 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1ttf s LEU 8 Cb -0.13 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.13 1ttf s LEU 8 CO 0.82 0.30 1.35 -1.83 0.23 0.00 0.00 176.35 177.21 1ttf s GLU 9 N -0.36 0.19 -0.33 1.70 -1.05 -0.94 -5.03 118.70 112.87 1ttf s GLU 9 Ca 0.11 -0.12 -0.13 0.00 -0.15 0.00 0.00 54.97 54.68 1ttf s GLU 9 Cb -0.12 0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.61 1ttf s GLU 9 CO 0.01 -0.09 0.27 0.08 0.95 0.00 0.00 175.26 176.49 1ttf s VAL 10 N -2.06 5.25 0.19 1.83 1.01 -1.26 -2.31 120.40 123.05 1ttf s VAL 10 Ca 0.26 -0.07 0.21 0.00 0.00 0.00 0.00 61.98 62.38 1ttf s VAL 10 Cb 0.02 -3.72 0.18 0.00 0.00 0.00 0.00 36.38 32.86 1ttf s VAL 10 CO -0.03 0.00 1.80 0.58 0.00 0.00 0.00 175.10 177.45 1ttf h VAL 11 N 5.49 0.76 0.00 2.92 2.07 -1.70 -3.48 116.25 122.31 1ttf h VAL 11 Ca -0.31 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1ttf h VAL 11 Cb 1.16 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1ttf h VAL 11 CO 0.64 0.30 0.00 0.00 0.02 0.00 0.00 177.57 178.53 1ttf n ALA 12 N -2.28 0.00 -2.37 1.67 0.00 -1.20 -5.04 120.51 111.29 1ttf n ALA 12 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ttf n ALA 12 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 1ttf n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ttf s ALA 13 N -2.00 1.64 0.13 0.00 0.00 -1.26 -1.92 121.76 118.36 1ttf s ALA 13 Ca 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.37 1ttf s ALA 13 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1ttf s ALA 13 CO 0.00 0.03 0.33 0.95 0.00 0.00 0.00 175.76 177.07 1ttf s THR 14 N -2.76 0.08 -0.42 0.00 -4.23 0.78 -4.97 115.64 104.12 1ttf s THR 14 Ca 0.15 -0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 1ttf s THR 14 Cb -0.01 -1.43 -0.10 0.00 1.34 0.00 0.00 72.50 72.30 1ttf s THR 14 CO 0.03 -0.38 2.32 -2.65 -0.54 0.00 0.00 174.62 173.40 1ttf n PRO 15 N -0.19 1.18 -2.39 3.99 -0.01 -1.26 -0.86 135.00 135.46 1ttf n PRO 15 Ca -0.13 0.24 -0.06 0.00 -0.01 0.00 0.00 63.50 63.54 1ttf n PRO 15 Cb 0.63 -2.84 0.01 0.00 -0.01 0.00 0.00 33.50 31.29 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1ttf n THR 16 N 7.60 -0.50 -3.64 3.45 -1.04 -1.26 -5.03 114.28 113.86 1ttf n THR 16 Ca 0.40 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.35 1ttf n THR 16 Cb 0.35 -1.59 -0.07 0.00 -1.82 0.00 0.00 70.33 67.20 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ttf s SER 17 N -2.88 -0.30 -0.09 8.00 1.04 -0.04 -4.69 113.70 114.73 1ttf s SER 17 Ca 0.07 0.57 -0.00 0.00 0.48 0.00 0.00 55.95 57.07 1ttf s SER 17 Cb -0.03 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1ttf s SER 17 CO 0.08 -0.10 -0.06 -0.22 0.98 0.00 0.00 173.24 173.92 1ttf s LEU 18 N 0.28 1.14 -0.37 2.42 2.96 0.38 -0.15 118.68 125.34 1ttf s LEU 18 Ca 0.03 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.54 1ttf s LEU 18 Cb -0.05 -0.72 -0.00 0.00 0.50 0.00 0.00 46.19 45.92 1ttf s LEU 18 CO -0.10 -0.11 0.39 -0.22 -1.32 0.00 0.00 176.35 174.99 1ttf s LEU 19 N 1.54 4.57 0.37 -0.68 0.20 -0.81 -1.96 118.68 121.92 1ttf s LEU 19 Ca 0.01 -0.37 0.07 0.00 0.69 0.00 0.00 54.13 54.54 1ttf s LEU 19 Cb -0.13 -2.36 -0.02 0.00 -0.43 0.00 0.00 46.19 43.25 1ttf s LEU 19 CO -0.05 -0.42 0.36 0.27 -0.29 0.00 0.00 176.35 176.22 1ttf s ILE 20 N 2.06 3.24 -0.28 6.68 -4.36 -0.48 -1.97 121.20 126.10 1ttf s ILE 20 Ca 0.12 -1.30 -0.20 0.00 -0.26 0.00 0.00 60.65 59.01 1ttf s ILE 20 Cb -0.17 -3.13 0.08 0.00 1.25 0.00 0.00 42.46 40.50 1ttf s ILE 20 CO 0.12 -0.10 0.72 -0.94 0.24 0.00 0.00 174.94 174.99 1ttf s SER 21 N -4.08 -0.84 0.00 4.36 1.04 -0.98 -2.55 113.70 110.65 1ttf s SER 21 Ca 0.45 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1ttf s SER 21 Cb -0.06 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.46 1ttf s SER 21 CO 0.28 -0.24 0.00 -2.67 0.98 0.00 0.00 173.24 171.59 1ttf n TRP 22 N 3.63 0.00 -4.06 5.02 2.14 -1.04 -2.22 117.44 120.91 1ttf n TRP 22 Ca -0.17 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.32 1ttf n TRP 22 Cb 0.57 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.98 1ttf n TRP 22 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1ttf s ASP 23 N 1.00 0.43 -0.17 -0.67 2.15 -1.19 -4.83 116.67 113.40 1ttf s ASP 23 Ca 0.00 -0.93 -0.04 0.00 0.43 0.00 0.00 52.55 52.01 1ttf s ASP 23 Cb 0.00 0.21 0.08 0.00 -0.30 0.00 0.00 42.92 42.91 1ttf s ASP 23 CO 0.00 -0.59 0.27 0.00 -0.17 0.00 0.00 175.17 174.68 1ttf s ALA 24 N -3.74 -0.56 1.00 3.66 0.00 -1.26 -4.66 121.76 116.20 1ttf s ALA 24 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1ttf s ALA 24 Cb 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1ttf s ALA 24 CO -0.09 -0.90 0.00 -0.35 0.00 0.00 0.00 175.76 174.41 1ttf n PRO 25 N 5.34 -1.60 -0.15 0.00 -0.04 -1.26 -4.96 135.00 132.33 1ttf n PRO 25 Ca -0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1ttf n PRO 25 Cb 0.50 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 34.11 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ttf n ALA 26 N -3.00 2.36 -1.08 0.55 0.00 -1.26 -4.97 120.51 113.11 1ttf n ALA 26 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 53.44 52.20 1ttf n ALA 26 Cb 0.00 -0.61 0.19 0.00 0.00 0.00 0.00 19.45 19.03 1ttf n ALA 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ttf s VAL 27 N -1.17 2.03 -0.83 0.00 -7.23 -1.26 -4.79 120.40 107.15 1ttf s VAL 27 Ca 0.28 0.01 -0.23 0.00 -1.81 0.00 0.00 61.98 60.22 1ttf s VAL 27 Cb 0.16 -2.44 -0.16 0.00 0.56 0.00 0.00 36.38 34.50 1ttf s VAL 27 CO 0.22 -0.01 1.90 0.41 -0.31 0.00 0.00 175.10 177.31 1ttf n THR 28 N -4.31 1.58 -2.21 5.32 -1.04 -1.26 -4.89 114.28 107.47 1ttf n THR 28 Ca 0.05 -1.48 -0.42 0.00 -2.04 0.00 0.00 64.05 60.15 1ttf n THR 28 Cb 0.57 -2.23 -0.03 0.00 -1.82 0.00 0.00 70.33 66.82 1ttf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ttf s VAL 29 N 7.62 3.53 -0.01 12.58 1.01 -1.26 -4.79 120.40 139.08 1ttf s VAL 29 Ca 0.63 1.03 -0.25 0.00 0.00 0.00 0.00 61.98 63.39 1ttf s VAL 29 Cb 0.09 -3.66 -0.19 0.00 0.00 0.00 0.00 36.38 32.61 1ttf s VAL 29 CO 0.15 0.05 1.29 -0.09 0.00 0.00 0.00 175.10 176.50 1ttf h ARG 30 N 7.26 -0.05 0.00 2.72 9.65 -1.52 -3.46 114.38 128.98 1ttf h ARG 30 Ca -0.40 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1ttf h ARG 30 Cb 1.20 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1ttf h ARG 30 CO 0.88 0.38 0.00 2.48 2.80 0.00 0.00 179.97 186.50 1ttf n TYR 31 N -4.91 0.00 -4.51 2.20 0.18 -1.10 -4.75 117.16 104.28 1ttf n TYR 31 Ca -0.08 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.45 1ttf n TYR 31 Cb 0.23 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.09 1ttf n TYR 31 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1ttf s TYR 32 N -2.00 2.26 -0.21 -3.48 1.51 -0.60 -2.62 117.35 112.22 1ttf s TYR 32 Ca 0.00 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.44 1ttf s TYR 32 Cb 0.00 -1.32 0.08 0.00 -0.11 0.00 0.00 41.96 40.61 1ttf s TYR 32 CO 0.00 0.47 0.13 0.50 -1.11 0.00 0.00 175.55 175.54 1ttf s ARG 33 N -3.66 0.12 -0.39 -0.62 3.52 -1.05 -2.29 118.95 114.58 1ttf s ARG 33 Ca 0.32 -0.16 -0.16 0.00 -0.13 0.00 0.00 55.73 55.60 1ttf s ARG 33 Cb 0.03 -1.52 0.01 0.00 -1.56 0.00 0.00 34.95 31.92 1ttf s ARG 33 CO 0.15 -0.78 0.35 0.42 -0.81 0.00 0.00 175.30 174.63 1ttf s ILE 34 N 2.16 5.19 -0.06 4.11 1.01 -1.07 -2.14 121.20 130.40 1ttf s ILE 34 Ca 0.05 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1ttf s ILE 34 Cb -0.16 -3.92 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1ttf s ILE 34 CO -0.18 -0.28 -0.19 0.42 0.00 0.00 0.00 174.94 174.72 1ttf s THR 35 N 1.90 1.60 -0.02 2.92 -4.23 -0.87 -2.27 115.64 114.68 1ttf s THR 35 Ca 0.09 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1ttf s THR 35 Cb -0.18 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.27 1ttf s THR 35 CO 0.12 0.46 -0.15 -0.72 -0.54 0.00 0.00 174.62 173.78 1ttf s TYR 36 N 0.19 1.38 -0.19 3.99 1.13 -0.92 -1.59 117.35 121.34 1ttf s TYR 36 Ca -0.09 -0.29 -0.16 0.00 -1.41 0.00 0.00 57.07 55.12 1ttf s TYR 36 Cb -0.14 -0.90 0.05 0.00 -1.10 0.00 0.00 41.96 39.87 1ttf s TYR 36 CO 0.04 -0.05 0.50 0.20 -2.51 0.00 0.00 175.55 173.73 1ttf s GLY 37 N -0.25 -0.39 0.91 5.49 0.00 -1.07 -2.61 107.32 109.40 1ttf s GLY 37 Ca 0.04 1.50 -0.11 0.00 0.00 0.00 0.00 44.72 46.15 1ttf s GLY 37 CO -0.00 1.37 1.09 -0.54 0.00 0.00 0.00 173.10 175.02 1ttf s GLU 38 N 0.53 1.14 0.16 2.90 2.02 -1.26 -2.38 118.70 121.80 1ttf s GLU 38 Ca -0.02 1.01 -0.31 0.00 0.02 0.00 0.00 54.97 55.67 1ttf s GLU 38 Cb -0.04 -1.78 -0.09 0.00 0.10 0.00 0.00 34.13 32.31 1ttf s GLU 38 CO -0.03 -2.37 1.46 -0.08 0.02 0.00 0.00 175.26 174.26 1ttf s THR 39 N -2.83 2.93 -0.40 3.63 -1.32 -1.26 -3.90 115.64 112.50 1ttf s THR 39 Ca 0.64 0.69 -0.19 0.00 -1.21 0.00 0.00 61.69 61.62 1ttf s THR 39 Cb -0.19 -3.44 0.03 0.00 -1.51 0.00 0.00 72.50 67.38 1ttf s THR 39 CO 0.58 0.06 0.51 0.61 -2.21 0.00 0.00 174.62 174.17 1ttf n GLY 40 N 3.34 -1.29 2.74 6.08 0.00 -1.26 -5.02 105.19 109.77 1ttf n GLY 40 Ca 0.11 1.08 -0.20 0.00 0.00 0.00 0.00 46.02 47.02 1ttf n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ttf s GLY 41 N -2.14 0.08 0.00 -0.02 0.00 -1.25 -4.98 107.32 99.01 1ttf s GLY 41 Ca 0.24 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1ttf s GLY 41 CO 0.76 1.98 0.75 -2.01 0.00 0.00 0.00 173.10 174.58 1ttf n ASN 42 N 5.31 0.00 -3.41 1.64 2.85 -1.26 -3.76 115.26 116.64 1ttf n ASN 42 Ca -0.06 0.26 -0.20 0.00 -0.11 0.00 0.00 54.58 54.47 1ttf n ASN 42 Cb 0.49 -0.26 -0.10 0.00 1.24 0.00 0.00 39.78 41.16 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ttf s SER 43 N -2.50 1.86 0.67 1.20 0.01 -1.26 -5.14 113.70 108.55 1ttf s SER 43 Ca 0.00 -1.44 -0.17 0.00 1.31 0.00 0.00 55.95 55.65 1ttf s SER 43 Cb 0.00 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 1ttf s SER 43 CO 0.00 -0.32 1.02 -2.65 0.41 0.00 0.00 173.24 171.70 1ttf n PRO 44 N 4.59 0.72 0.00 12.44 -0.02 -1.25 -4.89 135.00 146.59 1ttf n PRO 44 Ca 0.06 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1ttf n PRO 44 Cb 0.44 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ttf n VAL 45 N -2.18 0.00 -3.67 -1.45 0.31 -1.07 -4.95 118.33 105.32 1ttf n VAL 45 Ca 0.14 1.20 -0.01 0.00 -0.01 0.00 0.00 64.34 65.66 1ttf n VAL 45 Cb 0.49 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.47 1ttf n VAL 45 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ttf s GLN 46 N -1.81 0.72 0.09 5.55 0.74 -1.12 -5.05 119.66 118.78 1ttf s GLN 46 Ca 0.00 -0.39 -0.11 0.00 0.05 0.00 0.00 55.36 54.91 1ttf s GLN 46 Cb 0.00 0.25 0.01 0.00 1.10 0.00 0.00 33.01 34.37 1ttf s GLN 46 CO 0.00 -0.33 0.25 -1.83 -0.55 0.00 0.00 175.29 172.83 1ttf s GLU 47 N -2.78 0.89 -0.29 1.67 -1.05 -1.26 -2.15 118.70 113.73 1ttf s GLU 47 Ca 0.13 -0.86 -0.20 0.00 -0.15 0.00 0.00 54.97 53.90 1ttf s GLU 47 Cb 0.02 0.37 0.14 0.00 -0.44 0.00 0.00 34.13 34.22 1ttf s GLU 47 CO -0.02 -0.30 1.00 -0.59 0.95 0.00 0.00 175.26 176.31 1ttf s PHE 48 N -3.71 -0.53 0.43 4.83 -0.71 -0.96 -5.01 117.98 112.31 1ttf s PHE 48 Ca 0.03 1.15 -0.01 0.00 -1.04 0.00 0.00 56.93 57.07 1ttf s PHE 48 Cb 0.04 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1ttf s PHE 48 CO -0.11 -0.26 0.65 0.95 -1.34 0.00 0.00 175.22 175.12 1ttf s THR 49 N 0.86 4.49 0.10 -4.49 -4.23 -1.26 -2.61 115.64 108.50 1ttf s THR 49 Ca -0.04 -0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 1ttf s THR 49 Cb -0.04 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 1ttf s THR 49 CO -0.12 -0.49 0.18 0.68 -0.54 0.00 0.00 174.62 174.34 1ttf s VAL 50 N -2.52 0.13 -0.99 2.29 -7.23 -0.97 -4.97 120.40 106.14 1ttf s VAL 50 Ca 0.46 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1ttf s VAL 50 Cb -0.10 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1ttf s VAL 50 CO 0.39 -0.59 0.13 -0.81 -0.31 0.00 0.00 175.10 173.90 1ttf n PRO 51 N -0.08 0.25 -1.74 4.82 -0.04 -1.26 -1.56 135.00 135.39 1ttf n PRO 51 Ca -0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 1ttf n PRO 51 Cb 0.62 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.91 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ttf n GLY 52 N 0.38 0.94 0.13 0.55 0.00 -1.26 -4.74 105.19 101.19 1ttf n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1ttf n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ttf n SER 53 N -1.13 2.04 -4.64 1.61 2.88 -1.26 -4.86 113.62 108.25 1ttf n SER 53 Ca -0.17 -0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.94 1ttf n SER 53 Cb 0.56 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1ttf n SER 53 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ttf s LYS 54 N -2.53 4.02 0.34 -1.46 -0.14 -1.26 -4.87 119.74 113.84 1ttf s LYS 54 Ca -0.30 1.61 0.18 0.00 -1.36 0.00 0.00 55.97 56.10 1ttf s LYS 54 Cb 0.08 -3.90 0.19 0.00 -1.68 0.00 0.00 37.83 32.52 1ttf s LYS 54 CO 0.67 -1.00 1.52 0.77 -0.76 0.00 0.00 175.35 176.54 1ttf h SER 55 N 9.37 0.00 -2.91 2.83 0.02 -1.92 -3.46 113.55 117.48 1ttf h SER 55 Ca -0.30 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.16 1ttf h SER 55 Cb 1.12 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.52 1ttf h SER 55 CO 0.99 0.31 -0.72 0.42 -1.14 0.00 0.00 176.83 176.70 1ttf s THR 56 N -3.07 1.85 -0.02 -2.27 -4.23 -1.26 -2.50 115.64 104.14 1ttf s THR 56 Ca 0.05 -2.22 -0.24 0.00 -1.18 0.00 0.00 61.69 58.10 1ttf s THR 56 Cb 0.07 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.73 1ttf s THR 56 CO 0.71 -0.46 0.53 0.00 -0.54 0.00 0.00 174.62 174.86 1ttf s ALA 57 N -2.90 -1.36 -0.26 3.99 0.00 -1.06 -5.02 121.76 115.15 1ttf s ALA 57 Ca 0.26 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1ttf s ALA 57 Cb 0.00 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.28 1ttf s ALA 57 CO 0.10 -0.36 -0.05 0.99 0.00 0.00 0.00 175.76 176.45 1ttf s THR 58 N -1.47 1.77 0.24 0.00 2.01 -1.26 -1.38 115.64 115.55 1ttf s THR 58 Ca -0.11 -1.50 0.08 0.00 0.31 0.00 0.00 61.69 60.47 1ttf s THR 58 Cb -0.02 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1ttf s THR 58 CO 0.06 -0.19 0.11 0.27 -0.69 0.00 0.00 174.62 174.18 1ttf s ILE 59 N 1.26 4.04 -0.06 1.82 -4.36 -0.83 -4.91 121.20 118.16 1ttf s ILE 59 Ca -0.03 -1.56 -0.07 0.00 -0.26 0.00 0.00 60.65 58.72 1ttf s ILE 59 Cb -0.19 -3.16 0.02 0.00 1.25 0.00 0.00 42.46 40.38 1ttf s ILE 59 CO -0.07 -0.32 0.19 -0.55 0.24 0.00 0.00 174.94 174.42 1ttf s SER 60 N -3.66 -0.18 0.00 4.36 0.15 -1.26 -0.47 113.70 112.63 1ttf s SER 60 Ca 0.32 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1ttf s SER 60 Cb -0.08 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1ttf s SER 60 CO 0.23 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1ttf n GLY 61 N 2.82 0.00 3.17 9.45 0.00 -1.26 -5.03 105.19 114.34 1ttf n GLY 61 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1ttf n GLY 61 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ttf s LEU 62 N 0.00 2.29 0.00 0.99 -0.00 -1.26 -5.05 118.68 115.65 1ttf s LEU 62 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 54.13 53.50 1ttf s LEU 62 Cb 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 46.19 45.71 1ttf s LEU 62 CO 0.00 -0.10 0.00 0.29 -0.00 0.00 0.00 176.35 176.54 1ttf n LYS 63 N 1.20 0.46 -0.03 1.48 5.02 -1.26 -4.44 118.16 120.60 1ttf n LYS 63 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1ttf n LYS 63 Cb 0.54 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 1ttf n LYS 63 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ttf n PRO 64 N -2.08 0.19 -3.42 1.97 -0.05 -1.26 -5.00 135.00 125.35 1ttf n PRO 64 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 63.50 63.19 1ttf n PRO 64 Cb 0.34 0.00 -0.09 0.00 -0.05 0.00 0.00 33.50 33.71 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1ttf n GLY 65 N 5.00 3.53 3.79 0.55 0.00 -1.26 -4.97 105.19 111.83 1ttf n GLY 65 Ca 0.00 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 1ttf n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttf s VAL 66 N -1.41 1.84 0.39 1.61 0.11 0.70 -4.76 120.40 118.89 1ttf s VAL 66 Ca 0.34 -1.71 -0.28 0.00 -2.93 0.00 0.00 61.98 57.41 1ttf s VAL 66 Cb 0.10 -2.55 -0.11 0.00 -1.53 0.00 0.00 36.38 32.30 1ttf s VAL 66 CO -0.11 0.00 1.49 -0.67 -3.33 0.00 0.00 175.10 172.49 1ttf n ASP 67 N -1.40 3.79 -3.76 3.54 -0.08 -1.26 -2.10 116.55 115.27 1ttf n ASP 67 Ca -0.05 1.22 -0.20 0.00 -1.51 0.00 0.00 54.79 54.24 1ttf n ASP 67 Cb 0.65 -1.63 -0.17 0.00 2.34 0.00 0.00 41.12 42.31 1ttf n ASP 67 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ttf s TYR 68 N -1.13 0.40 -0.36 -0.67 1.51 -0.14 -3.99 117.35 112.97 1ttf s TYR 68 Ca 0.54 -0.00 -0.13 0.00 -1.01 0.00 0.00 57.07 56.47 1ttf s TYR 68 Cb -0.47 -0.59 -0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1ttf s TYR 68 CO 0.63 -0.22 0.25 0.95 -1.11 0.00 0.00 175.55 176.04 1ttf s THR 69 N 1.69 5.14 0.07 -0.71 -4.23 -1.00 -2.33 115.64 114.27 1ttf s THR 69 Ca -0.00 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1ttf s THR 69 Cb -0.13 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1ttf s THR 69 CO -0.03 -0.12 0.16 0.27 -0.54 0.00 0.00 174.62 174.36 1ttf s ILE 70 N 1.68 5.05 -0.08 2.99 -5.25 -1.01 -2.61 121.20 121.97 1ttf s ILE 70 Ca 0.05 -0.55 -0.04 0.00 -0.99 0.00 0.00 60.65 59.13 1ttf s ILE 70 Cb -0.18 -3.45 0.04 0.00 2.95 0.00 0.00 42.46 41.82 1ttf s ILE 70 CO 0.10 0.13 0.18 -0.89 -1.79 0.00 0.00 174.94 172.67 1ttf s THR 71 N -1.47 -0.11 0.03 8.37 2.01 -0.62 -2.09 115.64 121.76 1ttf s THR 71 Ca 0.33 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.62 1ttf s THR 71 Cb -0.13 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 1ttf s THR 71 CO 0.26 0.09 -0.23 0.68 -0.69 0.00 0.00 174.62 174.72 1ttf s VAL 72 N 1.49 2.37 -0.07 3.82 -7.23 -0.84 -2.04 120.40 117.91 1ttf s VAL 72 Ca -0.06 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1ttf s VAL 72 Cb -0.11 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 1ttf s VAL 72 CO -0.07 0.40 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.67 1ttf s TYR 73 N -0.81 2.72 -0.38 2.82 1.51 -0.91 -2.85 117.35 119.45 1ttf s TYR 73 Ca 0.12 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1ttf s TYR 73 Cb -0.10 -1.69 0.11 0.00 -0.11 0.00 0.00 41.96 40.17 1ttf s TYR 73 CO 0.02 0.07 0.10 0.00 -1.11 0.00 0.00 175.55 174.63 1ttf s ALA 74 N -0.42 3.00 -0.13 3.71 0.00 -1.26 -2.53 121.76 124.12 1ttf s ALA 74 Ca 0.05 -2.70 -0.02 0.00 0.00 0.00 0.00 51.96 49.29 1ttf s ALA 74 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1ttf s ALA 74 CO 0.02 -1.76 -0.04 0.08 0.00 0.00 0.00 175.76 174.05 1ttf s VAL 75 N 0.65 3.87 0.00 0.00 1.01 -1.08 -4.51 120.40 120.35 1ttf s VAL 75 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1ttf s VAL 75 Cb -0.21 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1ttf s VAL 75 CO -0.06 0.53 0.00 0.41 0.00 0.00 0.00 175.10 175.98 1ttf n THR 76 N 3.12 0.00 0.00 3.92 -1.04 -1.26 -1.63 114.28 117.40 1ttf n THR 76 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1ttf n THR 76 Cb 0.53 0.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 77 N 0.26 1.25 3.65 3.41 0.00 -1.26 -4.40 105.19 108.10 1ttf n GLY 77 Ca 0.00 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 1ttf n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttf n ARG 78 N 0.03 -0.22 0.00 1.61 5.12 -1.26 -3.58 116.66 118.36 1ttf n ARG 78 Ca 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1ttf n ARG 78 Cb 0.00 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 28.97 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ttf n GLY 79 N 0.52 1.31 0.00 -0.13 0.00 -1.26 -4.83 105.19 100.80 1ttf n GLY 79 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ttf n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ttf n ASP 80 N 0.00 0.00 -3.99 1.61 8.00 -1.26 -4.92 116.55 115.99 1ttf n ASP 80 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1ttf n ASP 80 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ttf s SER 81 N 0.00 5.05 -0.98 -2.24 1.04 -1.26 -5.02 113.70 110.29 1ttf s SER 81 Ca 0.00 -3.49 -0.26 0.00 0.48 0.00 0.00 55.95 52.67 1ttf s SER 81 Cb 0.00 -1.74 -0.19 0.00 0.10 0.00 0.00 66.02 64.19 1ttf s SER 81 CO 0.00 -0.18 2.21 -2.84 0.98 0.00 0.00 173.24 173.41 1ttf s PRO 82 N -0.97 1.33 -0.30 4.02 0.02 -1.23 -4.80 135.00 133.06 1ttf s PRO 82 Ca 0.23 -0.12 -0.00 0.00 0.02 0.00 0.00 61.00 61.12 1ttf s PRO 82 Cb -0.12 -4.92 0.10 0.00 0.02 0.00 0.00 34.50 29.58 1ttf s PRO 82 CO -0.10 -5.13 0.08 0.00 -0.33 0.00 0.00 177.00 171.52 1ttf s ALA 83 N 16.21 1.65 -0.41 -1.55 0.00 -1.26 -5.00 121.76 131.39 1ttf s ALA 83 Ca 0.85 -1.68 -0.35 0.00 0.00 0.00 0.00 51.96 50.78 1ttf s ALA 83 Cb -0.08 -1.62 -0.13 0.00 0.00 0.00 0.00 23.12 21.30 1ttf s ALA 83 CO 0.14 -1.62 2.23 -1.13 0.00 0.00 0.00 175.76 175.39 1ttf n SER 84 N 4.80 1.88 -3.15 0.00 3.41 -1.26 -4.76 113.62 114.54 1ttf n SER 84 Ca -0.02 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1ttf n SER 84 Cb 0.42 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1ttf n SER 84 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ttf n SER 85 N 10.03 -1.57 -3.98 4.04 7.64 -1.26 -5.05 113.62 123.46 1ttf n SER 85 Ca 0.44 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.13 1ttf n SER 85 Cb 0.21 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.26 1ttf n SER 85 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ttf s LYS 86 N -2.36 0.82 0.62 1.43 3.01 -1.26 -5.06 119.74 116.94 1ttf s LYS 86 Ca 0.00 -0.26 -0.19 0.00 -1.01 0.00 0.00 55.97 54.51 1ttf s LYS 86 Cb 0.00 -0.78 -0.02 0.00 -1.01 0.00 0.00 37.83 36.02 1ttf s LYS 86 CO 0.00 0.10 1.30 -1.25 0.51 0.00 0.00 175.35 176.01 1ttf s PRO 87 N 0.18 2.70 -0.02 -1.68 0.04 -1.26 -4.79 135.00 130.18 1ttf s PRO 87 Ca -0.02 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1ttf s PRO 87 Cb -0.08 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1ttf s PRO 87 CO 0.00 -1.49 -0.02 -1.50 0.04 0.00 0.00 177.00 174.03 1ttf s ILE 88 N -1.39 0.27 0.17 0.56 2.07 -1.13 -5.03 121.20 116.72 1ttf s ILE 88 Ca 0.80 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.99 1ttf s ILE 88 Cb -0.38 -0.29 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 1ttf s ILE 88 CO 0.41 0.12 0.02 -0.94 -1.91 0.00 0.00 174.94 172.64 1ttf s SER 89 N 0.44 1.00 0.03 4.50 1.04 -1.26 -1.98 113.70 117.47 1ttf s SER 89 Ca -0.04 -1.19 -0.09 0.00 0.48 0.00 0.00 55.95 55.11 1ttf s SER 89 Cb -0.08 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1ttf s SER 89 CO -0.01 -0.61 0.19 -0.63 0.98 0.00 0.00 173.24 173.16 1ttf s ILE 90 N -3.75 0.11 -0.00 -1.02 1.01 -0.89 -5.02 121.20 111.64 1ttf s ILE 90 Ca 0.24 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1ttf s ILE 90 Cb 0.06 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1ttf s ILE 90 CO 0.04 -0.48 0.10 0.54 0.00 0.00 0.00 174.94 175.14 1ttf s ASN 91 N -1.99 5.81 -0.11 3.58 4.22 -1.26 -2.41 114.94 122.77 1ttf s ASN 91 Ca -0.06 0.18 -0.29 0.00 -2.14 0.00 0.00 52.86 50.54 1ttf s ASN 91 Cb -0.02 -1.70 0.07 0.00 1.28 0.00 0.00 41.25 40.88 1ttf s ASN 91 CO -0.03 0.27 0.69 -0.47 -2.04 0.00 0.00 177.10 175.52 1ttf s TYR 92 N -1.23 -0.69 -0.59 1.54 6.14 -0.98 -5.02 117.35 116.51 1ttf s TYR 92 Ca 0.24 1.35 -0.23 0.00 0.64 0.00 0.00 57.07 59.07 1ttf s TYR 92 Cb -0.12 0.37 0.06 0.00 0.42 0.00 0.00 41.96 42.69 1ttf s TYR 92 CO 0.15 -0.55 0.91 -0.98 0.64 0.00 0.00 175.55 175.73 1ttf s ARG 93 N -0.76 3.21 0.00 4.97 3.03 -1.26 -0.96 118.95 127.17 1ttf s ARG 93 Ca -0.08 -0.58 0.00 0.00 2.03 0.00 0.00 55.73 57.10 1ttf s ARG 93 Cb -0.01 -4.13 0.00 0.00 -1.03 0.00 0.00 34.95 29.77 1ttf s ARG 93 CO 0.08 -1.60 0.49 2.41 -1.13 0.00 0.00 175.30 175.55