#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 0.00 -2.71 -1.34 2.88 -1.26 -5.00 113.62 106.18 1ttf n SER 2 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1ttf n SER 2 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1ttf n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ttf n ASP 3 N -1.14 -0.27 -4.65 -3.46 2.03 -1.26 -5.11 116.55 102.70 1ttf n ASP 3 Ca 0.00 -2.36 -0.53 0.00 0.52 0.00 0.00 54.79 52.42 1ttf n ASP 3 Cb 0.00 0.25 -0.06 0.00 -0.72 0.00 0.00 41.12 40.59 1ttf n ASP 3 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ttf n VAL 4 N -0.73 0.15 0.00 5.18 0.31 -1.26 -4.92 118.33 117.05 1ttf n VAL 4 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1ttf n VAL 4 Cb 0.84 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1ttf n VAL 4 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ttf n PRO 5 N 3.90 1.03 0.00 5.55 -0.02 -1.26 -5.04 135.00 139.16 1ttf n PRO 5 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1ttf n PRO 5 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 1ttf n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ttf n ARG 6 N -0.17 3.64 -1.51 -0.52 1.74 -1.26 -4.95 116.66 113.63 1ttf n ARG 6 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1ttf n ARG 6 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1ttf n ARG 6 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ttf n ASP 7 N 0.00 0.46 -4.87 0.55 5.75 -1.26 -4.79 116.55 112.40 1ttf n ASP 7 Ca 0.00 0.05 -0.36 0.00 -0.01 0.00 0.00 54.79 54.47 1ttf n ASP 7 Cb 0.00 -0.99 -0.06 0.00 -1.03 0.00 0.00 41.12 39.05 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ttf s LEU 8 N 9.01 4.39 0.09 -2.12 1.02 -1.26 -4.59 118.68 125.21 1ttf s LEU 8 Ca 1.31 0.69 -0.27 0.00 0.02 0.00 0.00 54.13 55.88 1ttf s LEU 8 Cb -1.10 -2.67 0.08 0.00 0.02 0.00 0.00 46.19 42.52 1ttf s LEU 8 CO 0.46 0.26 0.97 -0.70 0.02 0.00 0.00 176.35 177.36 1ttf s GLU 9 N -1.59 1.00 -0.43 1.70 -6.30 -1.02 -5.05 118.70 107.01 1ttf s GLU 9 Ca 0.27 -0.51 -0.15 0.00 -2.50 0.00 0.00 54.97 52.08 1ttf s GLU 9 Cb -0.14 0.37 0.04 0.00 0.00 0.00 0.00 34.13 34.40 1ttf s GLU 9 CO 0.15 -0.45 0.34 0.08 0.02 0.00 0.00 175.26 175.40 1ttf s VAL 10 N -3.15 5.23 0.09 3.70 1.01 -1.26 -2.31 120.40 123.70 1ttf s VAL 10 Ca 0.10 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1ttf s VAL 10 Cb -0.01 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1ttf s VAL 10 CO -0.02 -0.41 1.38 0.58 0.00 0.00 0.00 175.10 176.64 1ttf h VAL 11 N 5.68 1.31 -3.15 2.92 2.07 -1.67 -3.48 116.25 119.94 1ttf h VAL 11 Ca -0.27 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1ttf h VAL 11 Cb 1.12 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 1ttf h VAL 11 CO 0.78 0.48 0.18 0.00 0.02 0.00 0.00 177.57 179.03 1ttf s ALA 12 N -4.23 -0.82 -0.15 1.67 0.00 -1.11 -5.03 121.76 112.09 1ttf s ALA 12 Ca -0.12 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 1ttf s ALA 12 Cb 0.08 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.08 1ttf s ALA 12 CO 0.83 -0.98 0.48 0.00 0.00 0.00 0.00 175.76 176.08 1ttf s ALA 13 N -3.34 -1.20 0.04 0.00 0.00 -1.26 -2.29 121.76 113.71 1ttf s ALA 13 Ca 0.15 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 1ttf s ALA 13 Cb -0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1ttf s ALA 13 CO 0.10 -0.25 -0.01 0.95 0.00 0.00 0.00 175.76 176.55 1ttf s THR 14 N -0.12 0.17 -0.84 0.00 -4.23 0.20 -4.99 115.64 105.83 1ttf s THR 14 Ca -0.03 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1ttf s THR 14 Cb -0.03 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1ttf s THR 14 CO 0.02 -0.75 0.74 -2.65 -0.54 0.00 0.00 174.62 171.44 1ttf n PRO 15 N 0.75 0.00 -1.12 3.99 -0.01 -1.26 -1.57 135.00 135.79 1ttf n PRO 15 Ca -0.18 0.27 0.00 0.00 -0.01 0.00 0.00 63.50 63.58 1ttf n PRO 15 Cb 0.58 -1.62 -0.01 0.00 -0.01 0.00 0.00 33.50 32.44 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 1ttf n THR 16 N -1.24 0.00 -3.64 3.45 -2.24 -1.26 -4.92 114.28 104.43 1ttf n THR 16 Ca 0.00 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1ttf n THR 16 Cb 0.12 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ttf s SER 17 N -1.40 -0.08 -0.04 3.42 1.04 -0.61 -4.53 113.70 111.50 1ttf s SER 17 Ca 0.17 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.73 1ttf s SER 17 Cb 0.19 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1ttf s SER 17 CO -0.08 -0.07 -0.11 -0.22 0.98 0.00 0.00 173.24 173.74 1ttf s LEU 18 N -0.79 1.76 -0.36 2.42 0.20 -0.35 0.61 118.68 122.18 1ttf s LEU 18 Ca 0.07 -0.24 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 1ttf s LEU 18 Cb -0.02 -0.69 0.09 0.00 -0.43 0.00 0.00 46.19 45.15 1ttf s LEU 18 CO -0.08 0.07 0.10 -0.22 -0.29 0.00 0.00 176.35 175.92 1ttf s LEU 19 N 0.28 4.69 0.35 -0.68 2.96 -0.97 -1.88 118.68 123.43 1ttf s LEU 19 Ca -0.06 -1.84 0.06 0.00 -0.22 0.00 0.00 54.13 52.08 1ttf s LEU 19 Cb -0.11 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 1ttf s LEU 19 CO 0.01 -0.41 0.50 0.27 -1.32 0.00 0.00 176.35 175.40 1ttf s ILE 20 N 1.11 3.96 -0.22 6.68 -4.36 -0.91 -1.78 121.20 125.69 1ttf s ILE 20 Ca 0.05 -0.95 -0.18 0.00 -0.26 0.00 0.00 60.65 59.31 1ttf s ILE 20 Cb -0.21 -3.38 0.06 0.00 1.25 0.00 0.00 42.46 40.18 1ttf s ILE 20 CO -0.04 -0.16 0.57 -0.44 0.24 0.00 0.00 174.94 175.11 1ttf s SER 21 N -4.19 -0.65 0.00 4.36 0.01 -0.98 -2.57 113.70 109.67 1ttf s SER 21 Ca 0.46 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1ttf s SER 21 Cb -0.10 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.29 1ttf s SER 21 CO 0.32 -0.21 0.00 -2.67 0.41 0.00 0.00 173.24 171.09 1ttf n TRP 22 N 3.30 0.00 -3.52 2.43 2.14 -0.94 -2.44 117.44 118.40 1ttf n TRP 22 Ca -0.16 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.29 1ttf n TRP 22 Cb 0.56 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.02 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 -0.47 -0.16 -0.67 2.15 -1.26 -4.78 116.67 112.48 1ttf s ASP 23 Ca 0.00 0.33 -0.08 0.00 0.43 0.00 0.00 52.55 53.23 1ttf s ASP 23 Cb 0.00 0.42 -0.04 0.00 -0.30 0.00 0.00 42.92 42.99 1ttf s ASP 23 CO 0.00 -0.56 0.13 0.00 -0.17 0.00 0.00 175.17 174.57 1ttf s ALA 24 N -1.96 3.75 0.96 3.66 0.00 -1.26 -4.26 121.76 122.65 1ttf s ALA 24 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1ttf s ALA 24 Cb -0.01 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1ttf s ALA 24 CO -0.01 0.38 0.00 -2.30 0.00 0.00 0.00 175.76 173.83 1ttf n PRO 25 N 2.79 1.12 0.03 0.00 -0.01 -1.26 -4.93 135.00 132.74 1ttf n PRO 25 Ca -0.18 0.00 0.11 0.00 -0.01 0.00 0.00 63.50 63.42 1ttf n PRO 25 Cb 0.53 0.00 -0.09 0.00 -0.01 0.00 0.00 33.50 33.93 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1ttf n ALA 26 N -3.00 2.92 -1.58 3.55 0.00 -1.26 -4.95 120.51 116.20 1ttf n ALA 26 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 1ttf n ALA 26 Cb 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.40 2.01 -0.42 0.00 -7.23 -1.26 -4.78 120.40 105.31 1ttf s VAL 27 Ca -0.03 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 59.86 1ttf s VAL 27 Cb 0.13 -2.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1ttf s VAL 27 CO 0.86 -0.00 2.36 0.35 -0.31 0.00 0.00 175.10 178.35 1ttf n THR 28 N -2.25 0.08 -3.30 5.32 -2.24 -1.26 -4.90 114.28 105.73 1ttf n THR 28 Ca 0.15 -0.60 -0.40 0.00 -2.27 0.00 0.00 64.05 60.93 1ttf n THR 28 Cb 0.49 -2.49 -0.08 0.00 -2.10 0.00 0.00 70.33 66.14 1ttf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ttf s VAL 29 N 10.40 5.10 -0.15 2.28 1.01 -1.26 -4.68 120.40 133.11 1ttf s VAL 29 Ca 1.02 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 1ttf s VAL 29 Cb -0.35 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 1ttf s VAL 29 CO 0.32 0.02 0.18 0.03 0.00 0.00 0.00 175.10 175.65 1ttf h ARG 30 N 8.22 0.00 -3.14 2.72 2.47 -1.76 -3.47 114.38 119.42 1ttf h ARG 30 Ca -0.30 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1ttf h ARG 30 Cb 1.14 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.37 1ttf h ARG 30 CO 0.70 0.46 0.13 1.52 0.56 0.00 0.00 179.97 183.34 1ttf s TYR 31 N -2.08 -0.28 0.29 3.04 -0.85 -1.13 -4.38 117.35 111.96 1ttf s TYR 31 Ca -0.15 -0.04 0.12 0.00 -0.52 0.00 0.00 57.07 56.47 1ttf s TYR 31 Cb 0.01 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 1ttf s TYR 31 CO 0.35 -0.95 -0.18 0.71 -1.52 0.00 0.00 175.55 173.97 1ttf s TYR 32 N -3.84 2.33 -0.30 -3.49 1.51 -0.62 -2.63 117.35 110.31 1ttf s TYR 32 Ca 0.07 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1ttf s TYR 32 Cb -0.02 -1.04 0.11 0.00 -0.11 0.00 0.00 41.96 40.90 1ttf s TYR 32 CO -0.05 0.70 0.15 0.50 -1.11 0.00 0.00 175.55 175.75 1ttf s ARG 33 N -3.53 0.27 -0.03 -0.62 3.52 -0.97 -2.38 118.95 115.20 1ttf s ARG 33 Ca 0.30 -0.67 -0.20 0.00 -0.13 0.00 0.00 55.73 55.04 1ttf s ARG 33 Cb -0.04 -1.16 -0.05 0.00 -1.56 0.00 0.00 34.95 32.14 1ttf s ARG 33 CO 0.16 -1.06 0.57 0.42 -0.81 0.00 0.00 175.30 174.57 1ttf s ILE 34 N 1.91 4.98 -0.02 4.11 1.09 -0.55 -1.72 121.20 131.00 1ttf s ILE 34 Ca 0.11 1.17 0.01 0.00 -1.10 0.00 0.00 60.65 60.84 1ttf s ILE 34 Cb -0.17 -3.90 0.01 0.00 -1.06 0.00 0.00 42.46 37.34 1ttf s ILE 34 CO -0.29 0.40 -0.04 0.42 -0.10 0.00 0.00 174.94 175.33 1ttf s THR 35 N -0.03 0.41 0.04 2.92 -4.23 -0.54 -1.14 115.64 113.07 1ttf s THR 35 Ca 0.30 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.65 1ttf s THR 35 Cb -0.17 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.24 1ttf s THR 35 CO 0.16 0.16 0.03 -0.72 -0.54 0.00 0.00 174.62 173.71 1ttf s TYR 36 N 0.45 0.31 0.00 3.99 1.13 -0.89 -0.73 117.35 121.61 1ttf s TYR 36 Ca -0.05 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 54.92 1ttf s TYR 36 Cb -0.09 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.55 1ttf s TYR 36 CO -0.00 -0.34 0.00 0.41 -2.51 0.00 0.00 175.55 173.11 1ttf n GLY 37 N 0.72 2.03 3.08 5.49 0.00 -1.04 -0.95 105.19 114.52 1ttf n GLY 37 Ca -0.18 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1ttf n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ttf n GLU 38 N -0.45 -1.70 -0.75 1.61 1.02 -1.26 -2.22 120.64 116.90 1ttf n GLU 38 Ca 0.00 -0.50 -0.33 0.00 -0.02 0.00 0.00 57.16 56.32 1ttf n GLU 38 Cb 0.00 -1.46 0.14 0.00 -0.02 0.00 0.00 31.44 30.10 1ttf n GLU 38 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ttf n THR 39 N -4.24 0.00 -1.16 2.62 -1.04 -1.26 -4.57 114.28 104.64 1ttf n THR 39 Ca 0.03 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1ttf n THR 39 Cb 0.47 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 1ttf n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 40 N 1.79 -1.61 3.21 3.41 0.00 -1.26 -4.88 105.19 105.86 1ttf n GLY 40 Ca 0.04 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1ttf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ttf n GLY 41 N -0.13 2.87 0.00 -0.02 0.00 -1.26 -3.94 105.19 102.71 1ttf n GLY 41 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1ttf n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ttf n ASN 42 N 8.57 1.12 -2.69 1.61 2.85 -1.26 -4.94 115.26 120.51 1ttf n ASN 42 Ca 0.49 -0.01 -0.06 0.00 -0.11 0.00 0.00 54.58 54.89 1ttf n ASN 42 Cb 0.43 0.24 0.09 0.00 1.24 0.00 0.00 39.78 41.78 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ttf n SER 43 N -0.36 -1.71 -4.36 1.20 7.64 -1.25 -5.15 113.62 109.62 1ttf n SER 43 Ca 0.00 -2.58 -0.33 0.00 1.01 0.00 0.00 58.87 56.98 1ttf n SER 43 Cb 0.00 1.39 0.15 0.00 -1.01 0.00 0.00 64.21 64.74 1ttf n SER 43 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1ttf n PRO 44 N 0.14 -0.91 0.02 1.43 -0.02 -1.26 -4.90 135.00 129.50 1ttf n PRO 44 Ca -0.04 -0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.16 1ttf n PRO 44 Cb 0.74 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ttf h VAL 45 N -1.81 0.00 -1.39 -1.45 2.07 -1.37 -3.47 116.25 108.82 1ttf h VAL 45 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ttf h VAL 45 Cb 1.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ttf h VAL 45 CO 0.36 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.95 1ttf n GLN 46 N -3.35 0.00 -3.77 1.57 -0.00 -1.13 -5.04 117.38 105.65 1ttf n GLN 46 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.89 1ttf n GLN 46 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.33 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1ttf s GLU 47 N -1.97 1.58 -0.02 2.61 -1.05 -1.26 -2.08 118.70 116.50 1ttf s GLU 47 Ca 0.00 -0.90 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 1ttf s GLU 47 Cb 0.00 0.57 0.08 0.00 -0.44 0.00 0.00 34.13 34.35 1ttf s GLU 47 CO 0.00 -0.70 0.75 -0.59 0.95 0.00 0.00 175.26 175.67 1ttf s PHE 48 N -3.89 -0.54 0.27 4.83 -0.71 -0.29 -5.00 117.98 112.65 1ttf s PHE 48 Ca 0.10 0.76 0.09 0.00 -1.04 0.00 0.00 56.93 56.83 1ttf s PHE 48 Cb -0.03 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 1ttf s PHE 48 CO 0.01 -0.60 0.07 0.95 -1.34 0.00 0.00 175.22 174.31 1ttf s THR 49 N -1.95 3.69 0.02 -4.49 -4.23 -1.26 -1.49 115.64 105.94 1ttf s THR 49 Ca -0.05 -1.75 -0.13 0.00 -1.18 0.00 0.00 61.69 58.58 1ttf s THR 49 Cb -0.00 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 70.84 1ttf s THR 49 CO 0.01 -0.35 0.27 0.68 -0.54 0.00 0.00 174.62 174.69 1ttf s VAL 50 N -2.28 0.08 -1.31 2.29 -7.23 -1.00 -4.98 120.40 105.97 1ttf s VAL 50 Ca 0.32 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1ttf s VAL 50 Cb -0.06 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.07 1ttf s VAL 50 CO 0.22 -0.37 0.00 -0.81 -0.31 0.00 0.00 175.10 173.83 1ttf n PRO 51 N 0.87 0.00 -0.56 4.82 -0.04 -1.26 -1.59 135.00 137.23 1ttf n PRO 51 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1ttf n PRO 51 Cb 0.58 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 0.19 0.00 0.14 0.55 0.00 -1.26 -4.63 105.19 100.18 1ttf n GLY 52 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ttf n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ttf h SER 53 N 0.00 0.52 -3.74 1.61 0.02 -1.91 -3.42 113.55 106.63 1ttf h SER 53 Ca 0.00 -0.72 -0.67 0.00 -0.84 0.00 0.00 61.79 59.56 1ttf h SER 53 Cb 0.46 -0.16 -0.18 0.00 0.14 0.00 0.00 62.40 62.66 1ttf h SER 53 CO 0.00 1.17 -0.46 -0.54 -1.14 0.00 0.00 176.83 175.86 1ttf s LYS 54 N -3.37 3.59 -0.68 3.45 1.02 -1.26 -4.97 119.74 117.53 1ttf s LYS 54 Ca -0.13 -0.55 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 1ttf s LYS 54 Cb 0.04 -3.78 -0.08 0.00 -0.52 0.00 0.00 37.83 33.49 1ttf s LYS 54 CO 0.81 -0.41 3.05 0.43 -0.92 0.00 0.00 175.35 178.32 1ttf n SER 55 N 5.14 6.78 -3.70 2.83 7.64 -1.26 -4.81 113.62 126.23 1ttf n SER 55 Ca -0.12 -2.81 -0.14 0.00 1.01 0.00 0.00 58.87 56.81 1ttf n SER 55 Cb 0.50 -1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.22 1ttf n SER 55 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ttf s THR 56 N 0.00 0.01 -0.03 0.44 -4.23 -1.26 -2.22 115.64 108.36 1ttf s THR 56 Ca 0.63 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 1ttf s THR 56 Cb 0.29 -0.69 0.02 0.00 1.34 0.00 0.00 72.50 73.45 1ttf s THR 56 CO -0.09 -0.06 0.26 0.00 -0.54 0.00 0.00 174.62 174.19 1ttf s ALA 57 N -0.31 -0.65 -0.30 3.99 0.00 -1.06 -5.03 121.76 118.40 1ttf s ALA 57 Ca -0.05 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1ttf s ALA 57 Cb -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.16 1ttf s ALA 57 CO 0.03 -0.22 -0.00 0.99 0.00 0.00 0.00 175.76 176.55 1ttf s THR 58 N -1.09 2.01 -0.10 0.00 2.01 -1.26 -2.14 115.64 115.08 1ttf s THR 58 Ca -0.12 -1.91 -0.01 0.00 0.31 0.00 0.00 61.69 59.96 1ttf s THR 58 Cb -0.05 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1ttf s THR 58 CO 0.03 -0.38 -0.04 0.27 -0.69 0.00 0.00 174.62 173.81 1ttf s ILE 59 N 1.09 3.91 0.36 1.82 -4.36 -0.79 -4.90 121.20 118.33 1ttf s ILE 59 Ca 0.03 -0.38 0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1ttf s ILE 59 Cb -0.19 -2.65 0.01 0.00 1.25 0.00 0.00 42.46 40.87 1ttf s ILE 59 CO -0.09 0.56 0.05 -1.20 0.24 0.00 0.00 174.94 174.51 1ttf n SER 60 N 2.67 2.85 -0.43 4.36 7.64 -1.26 -1.21 113.62 128.24 1ttf n SER 60 Ca -0.18 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.19 1ttf n SER 60 Cb 0.53 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ttf n GLY 61 N 0.72 0.96 0.00 0.23 0.00 -1.26 -5.00 105.19 100.84 1ttf n GLY 61 Ca -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1ttf n GLY 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ttf n LEU 62 N -0.43 0.00 -3.74 0.99 -0.00 -1.26 -5.12 117.00 107.44 1ttf n LEU 62 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1ttf n LEU 62 Cb 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.73 1ttf n LEU 62 CO 0.00 0.00 -0.04 -0.75 -0.00 0.00 0.00 177.39 176.60 1ttf s LYS 63 N 2.29 0.32 -0.35 1.47 2.20 -1.26 -5.06 119.74 119.36 1ttf s LYS 63 Ca 0.00 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 55.85 1ttf s LYS 63 Cb 0.00 0.04 -0.08 0.00 -1.51 0.00 0.00 37.83 36.29 1ttf s LYS 63 CO 0.00 -0.10 2.28 -2.30 -0.36 0.00 0.00 175.35 174.87 1ttf n PRO 64 N 3.59 1.43 -1.53 4.03 -0.01 -1.26 -3.73 135.00 137.52 1ttf n PRO 64 Ca -0.19 0.32 -0.00 0.00 -0.01 0.00 0.00 63.50 63.62 1ttf n PRO 64 Cb 0.56 -3.01 0.00 0.00 -0.01 0.00 0.00 33.50 31.04 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ttf n GLY 65 N 6.07 -2.36 3.64 -1.23 0.00 -1.09 -5.11 105.19 105.10 1ttf n GLY 65 Ca 0.36 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.26 0.00 -0.03 1.61 0.11 0.10 -5.00 120.40 116.93 1ttf s VAL 66 Ca 0.00 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.72 1ttf s VAL 66 Cb -0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1ttf s VAL 66 CO 0.02 0.00 1.89 0.47 -3.33 0.00 0.00 175.10 174.14 1ttf n ASP 67 N 3.38 3.65 -4.01 3.54 8.00 -1.26 -2.61 116.55 127.24 1ttf n ASP 67 Ca -0.17 0.96 -0.30 0.00 0.71 0.00 0.00 54.79 55.99 1ttf n ASP 67 Cb 0.57 -1.42 -0.16 0.00 -0.02 0.00 0.00 41.12 40.08 1ttf n ASP 67 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ttf s TYR 68 N 3.93 2.23 -0.32 1.24 1.51 -0.88 -4.11 117.35 120.93 1ttf s TYR 68 Ca 0.90 -1.31 -0.10 0.00 -1.01 0.00 0.00 57.07 55.55 1ttf s TYR 68 Cb -0.61 -1.60 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1ttf s TYR 68 CO 0.48 -0.69 0.17 0.99 -1.11 0.00 0.00 175.55 175.39 1ttf s THR 69 N 1.47 4.69 0.08 -0.71 2.01 -0.94 -1.26 115.64 120.98 1ttf s THR 69 Ca 0.03 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1ttf s THR 69 Cb -0.14 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1ttf s THR 69 CO -0.10 0.01 0.13 -0.51 -0.69 0.00 0.00 174.62 173.46 1ttf s ILE 70 N 1.62 4.82 -0.09 1.82 2.07 -1.08 -2.49 121.20 127.86 1ttf s ILE 70 Ca 0.04 -0.67 -0.03 0.00 -1.41 0.00 0.00 60.65 58.58 1ttf s ILE 70 Cb -0.17 -3.35 0.04 0.00 0.13 0.00 0.00 42.46 39.11 1ttf s ILE 70 CO 0.07 0.10 0.07 -0.89 -1.91 0.00 0.00 174.94 172.38 1ttf s THR 71 N -1.46 -0.08 -0.03 4.00 2.01 0.09 -1.90 115.64 118.27 1ttf s THR 71 Ca 0.31 0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 1ttf s THR 71 Cb -0.12 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1ttf s THR 71 CO 0.24 0.02 0.10 0.68 -0.69 0.00 0.00 174.62 174.97 1ttf s VAL 72 N 2.15 4.93 -0.15 3.82 -7.23 -0.79 -1.47 120.40 121.65 1ttf s VAL 72 Ca 0.04 -0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1ttf s VAL 72 Cb -0.13 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1ttf s VAL 72 CO -0.05 0.41 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.75 1ttf s TYR 73 N -1.16 2.90 -0.74 2.82 1.51 -0.70 -2.76 117.35 119.22 1ttf s TYR 73 Ca 0.21 -0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1ttf s TYR 73 Cb -0.12 -1.91 0.19 0.00 -0.11 0.00 0.00 41.96 40.01 1ttf s TYR 73 CO 0.12 -0.19 0.58 0.00 -1.11 0.00 0.00 175.55 174.96 1ttf s ALA 74 N 0.46 3.85 -0.17 3.71 0.00 -1.26 -2.30 121.76 126.06 1ttf s ALA 74 Ca -0.07 -3.48 -0.13 0.00 0.00 0.00 0.00 51.96 48.28 1ttf s ALA 74 Cb -0.15 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1ttf s ALA 74 CO 0.04 -2.14 0.26 0.08 0.00 0.00 0.00 175.76 174.00 1ttf s VAL 75 N -0.52 5.33 0.00 0.00 1.01 -1.08 -4.68 120.40 120.46 1ttf s VAL 75 Ca 0.21 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1ttf s VAL 75 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ttf s VAL 75 CO -0.07 0.39 0.00 1.07 0.00 0.00 0.00 175.10 176.49 1ttf n THR 76 N 3.61 0.00 0.00 3.92 5.66 -1.26 -2.84 114.28 123.36 1ttf n THR 76 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1ttf n THR 76 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttf n GLY 77 N 4.94 3.96 0.00 1.09 0.00 -1.26 -4.45 105.19 109.48 1ttf n GLY 77 Ca 0.00 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.01 0.00 1.61 3.00 -1.26 -4.80 116.66 115.22 1ttf n ARG 78 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ttf n ARG 78 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ttf n GLY 79 N 1.50 -0.97 0.00 -0.13 0.00 -1.26 -5.05 105.19 99.27 1ttf n GLY 79 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1ttf n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ttf n ASP 80 N -1.94 0.00 -4.83 1.61 -0.08 -1.26 -5.14 116.55 104.91 1ttf n ASP 80 Ca 0.00 -0.21 -0.34 0.00 -1.51 0.00 0.00 54.79 52.74 1ttf n ASP 80 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ttf s SER 81 N 0.00 6.91 -0.11 1.67 0.15 -1.26 -4.97 113.70 116.09 1ttf s SER 81 Ca 0.00 1.41 -0.30 0.00 0.70 0.00 0.00 55.95 57.76 1ttf s SER 81 Cb 0.00 -2.42 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1ttf s SER 81 CO 0.00 -0.15 2.08 -2.65 1.20 0.00 0.00 173.24 173.72 1ttf n PRO 82 N -0.05 2.28 -3.61 5.44 -0.01 -1.26 -4.79 135.00 133.01 1ttf n PRO 82 Ca 0.02 0.75 -0.39 0.00 -0.01 0.00 0.00 63.50 63.88 1ttf n PRO 82 Cb 0.52 -3.01 -0.11 0.00 -0.01 0.00 0.00 33.50 30.89 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1ttf s ALA 83 N 6.18 3.39 -0.49 3.55 0.00 -1.26 -5.01 121.76 128.12 1ttf s ALA 83 Ca 0.96 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.32 1ttf s ALA 83 Cb -0.46 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1ttf s ALA 83 CO 0.41 -0.86 2.34 -1.54 0.00 0.00 0.00 175.76 176.12 1ttf s SER 84 N 1.67 4.57 0.00 0.00 1.04 -1.26 -4.76 113.70 114.96 1ttf s SER 84 Ca 0.06 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1ttf s SER 84 Cb -0.17 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1ttf s SER 84 CO 0.08 -2.79 0.00 -0.24 0.98 0.00 0.00 173.24 171.28 1ttf n SER 85 N 15.39 0.00 -4.00 7.02 2.88 -1.26 -5.05 113.62 128.59 1ttf n SER 85 Ca 0.35 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.57 1ttf n SER 85 Cb 0.54 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.87 1ttf n SER 85 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ttf s LYS 86 N 1.94 1.90 0.94 -1.46 1.02 -1.26 -5.09 119.74 117.72 1ttf s LYS 86 Ca 0.00 -2.33 -0.12 0.00 0.02 0.00 0.00 55.97 53.54 1ttf s LYS 86 Cb 0.00 -3.36 0.15 0.00 -0.52 0.00 0.00 37.83 34.10 1ttf s LYS 86 CO 0.00 -1.06 1.10 -1.25 -0.92 0.00 0.00 175.35 173.22 1ttf s PRO 87 N 0.21 0.94 -0.04 -1.68 0.04 -1.26 -4.72 135.00 128.48 1ttf s PRO 87 Ca 0.14 0.56 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 1ttf s PRO 87 Cb -0.23 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1ttf s PRO 87 CO -0.03 -2.39 0.32 -1.50 0.04 0.00 0.00 177.00 173.43 1ttf s ILE 88 N -3.04 0.04 0.08 0.56 2.07 -1.11 -5.03 121.20 114.76 1ttf s ILE 88 Ca 0.64 -0.35 0.02 0.00 -1.41 0.00 0.00 60.65 59.55 1ttf s ILE 88 Cb -0.17 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1ttf s ILE 88 CO 0.56 -0.19 -0.08 -0.44 -1.91 0.00 0.00 174.94 172.88 1ttf s SER 89 N -0.94 1.12 -0.03 4.50 0.01 -1.26 -1.89 113.70 115.20 1ttf s SER 89 Ca -0.10 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.32 1ttf s SER 89 Cb -0.05 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ttf s SER 89 CO 0.03 -0.32 0.13 0.27 0.41 0.00 0.00 173.24 173.76 1ttf s ILE 90 N -2.52 0.03 0.25 1.44 -4.36 -0.80 -5.01 121.20 110.23 1ttf s ILE 90 Ca 0.02 -0.22 -0.25 0.00 -0.26 0.00 0.00 60.65 59.95 1ttf s ILE 90 Cb -0.02 -0.26 -0.09 0.00 1.25 0.00 0.00 42.46 43.34 1ttf s ILE 90 CO -0.02 -0.12 0.85 0.54 0.24 0.00 0.00 174.94 176.43 1ttf s ASN 91 N -0.37 7.32 -0.29 4.36 4.22 -1.26 -2.64 114.94 126.28 1ttf s ASN 91 Ca -0.04 1.70 -0.01 0.00 -2.14 0.00 0.00 52.86 52.37 1ttf s ASN 91 Cb -0.03 -2.52 0.18 0.00 1.28 0.00 0.00 41.25 40.16 1ttf s ASN 91 CO 0.00 0.06 0.57 -0.47 -2.04 0.00 0.00 177.10 175.22 1ttf s TYR 92 N -1.42 -1.54 -0.30 1.54 6.14 -0.39 -4.99 117.35 116.39 1ttf s TYR 92 Ca 0.44 1.55 -0.29 0.00 0.64 0.00 0.00 57.07 59.41 1ttf s TYR 92 Cb -0.20 0.48 0.01 0.00 0.42 0.00 0.00 41.96 42.67 1ttf s TYR 92 CO 0.25 -0.88 1.12 -0.98 0.64 0.00 0.00 175.55 175.69 1ttf s ARG 93 N 2.82 4.07 0.00 4.97 1.70 -1.26 -2.08 118.95 129.17 1ttf s ARG 93 Ca 0.19 1.17 0.07 0.00 -0.47 0.00 0.00 55.73 56.69 1ttf s ARG 93 Cb -0.15 -3.75 0.05 0.00 -0.57 0.00 0.00 34.95 30.54 1ttf s ARG 93 CO -0.21 -0.89 0.71 2.41 -1.08 0.00 0.00 175.30 176.23