#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttf s SER 2 N 0.00 6.25 0.00 -1.34 0.15 -1.26 -4.58 113.70 112.92 1ttf s SER 2 Ca 0.00 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.00 1ttf s SER 2 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1ttf s SER 2 CO 0.00 -1.26 0.00 0.47 1.20 0.00 0.00 173.24 173.65 1ttf n ASP 3 N 8.50 0.00 -4.60 5.45 8.00 -1.26 -5.12 116.55 127.53 1ttf n ASP 3 Ca 0.22 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 55.23 1ttf n ASP 3 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1ttf n ASP 3 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ttf n VAL 4 N 0.00 0.60 0.00 2.53 0.31 -1.26 -4.87 118.33 115.64 1ttf n VAL 4 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1ttf n VAL 4 Cb 0.00 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 2.08 0.40 -3.94 5.55 -0.02 -1.26 -4.98 135.00 132.83 1ttf n PRO 5 Ca 0.16 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1ttf n PRO 5 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.73 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ttf s ARG 6 N -0.95 0.60 -1.48 -0.52 1.70 -1.26 -5.00 118.95 112.04 1ttf s ARG 6 Ca 0.00 -0.39 -0.10 0.00 -0.47 0.00 0.00 55.73 54.77 1ttf s ARG 6 Cb 0.00 0.17 0.06 0.00 -0.57 0.00 0.00 34.95 34.61 1ttf s ARG 6 CO 0.00 -0.28 0.88 -0.25 -1.08 0.00 0.00 175.30 174.57 1ttf n ASP 7 N -1.07 -3.62 -4.68 -2.89 9.92 -1.26 -2.60 116.55 110.35 1ttf n ASP 7 Ca 0.01 -0.81 -0.38 0.00 -0.53 0.00 0.00 54.79 53.08 1ttf n ASP 7 Cb 0.59 -3.84 -0.07 0.00 -0.64 0.00 0.00 41.12 37.16 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ttf s LEU 8 N -7.12 4.19 -0.10 0.64 1.02 -1.26 -3.89 118.68 112.17 1ttf s LEU 8 Ca 0.47 0.67 -0.32 0.00 0.02 0.00 0.00 54.13 54.96 1ttf s LEU 8 Cb -0.24 -2.64 0.12 0.00 0.02 0.00 0.00 46.19 43.45 1ttf s LEU 8 CO 0.83 -0.09 1.09 -0.70 0.02 0.00 0.00 176.35 177.50 1ttf s GLU 9 N 1.23 0.54 -0.34 1.70 2.12 -0.94 -5.02 118.70 117.98 1ttf s GLU 9 Ca 0.23 -0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.13 1ttf s GLU 9 Cb -0.15 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1ttf s GLU 9 CO 0.09 -0.24 0.70 0.08 -0.54 0.00 0.00 175.26 175.36 1ttf s VAL 10 N -2.71 4.83 0.27 3.70 1.01 -1.26 -2.35 120.40 123.89 1ttf s VAL 10 Ca 0.08 0.81 0.20 0.00 0.00 0.00 0.00 61.98 63.06 1ttf s VAL 10 Cb -0.01 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.42 1ttf s VAL 10 CO -0.06 -0.32 1.83 0.58 0.00 0.00 0.00 175.10 177.14 1ttf h VAL 11 N 5.67 0.88 0.00 2.92 2.07 -1.35 -3.48 116.25 122.96 1ttf h VAL 11 Ca -0.26 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1ttf h VAL 11 Cb 1.10 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1ttf h VAL 11 CO 0.86 0.30 0.00 0.00 0.02 0.00 0.00 177.57 178.76 1ttf n ALA 12 N -2.33 0.00 -3.67 1.67 0.00 -1.22 -5.04 120.51 109.93 1ttf n ALA 12 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1ttf n ALA 12 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 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 0.13 0.33 0.00 0.00 -1.26 -2.48 121.76 116.47 1ttf s ALA 13 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1ttf s ALA 13 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1ttf s ALA 13 CO 0.00 -0.53 0.48 0.95 0.00 0.00 0.00 175.76 176.66 1ttf s THR 14 N 2.20 4.63 -0.76 0.00 -4.23 0.16 -4.95 115.64 112.69 1ttf s THR 14 Ca 0.04 -0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 59.50 1ttf s THR 14 Cb -0.12 -3.65 -0.16 0.00 1.34 0.00 0.00 72.50 69.91 1ttf s THR 14 CO -0.04 -0.31 2.41 -2.65 -0.54 0.00 0.00 174.62 173.49 1ttf n PRO 15 N -1.66 0.54 -2.29 3.99 -0.01 -1.26 -0.57 135.00 133.74 1ttf n PRO 15 Ca -0.04 -0.33 0.00 0.00 -0.01 0.00 0.00 63.50 63.12 1ttf n PRO 15 Cb 0.57 -2.88 0.00 0.00 -0.01 0.00 0.00 33.50 31.18 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 7.83 0.00 -3.64 3.45 -1.04 -1.26 -5.06 114.28 114.56 1ttf n THR 16 Ca 0.50 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.44 1ttf n THR 16 Cb 0.36 -1.58 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 1ttf n THR 16 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ttf s SER 17 N -2.94 -0.43 0.11 8.00 0.01 0.27 -4.36 113.70 114.36 1ttf s SER 17 Ca 0.00 0.78 0.10 0.00 1.31 0.00 0.00 55.95 58.15 1ttf s SER 17 Cb 0.00 0.89 -0.04 0.00 0.21 0.00 0.00 66.02 67.08 1ttf s SER 17 CO 0.00 -0.13 -0.26 -0.76 0.41 0.00 0.00 173.24 172.50 1ttf s LEU 18 N 0.49 2.32 -0.26 2.44 1.43 0.12 0.38 118.68 125.59 1ttf s LEU 18 Ca 0.01 -0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1ttf s LEU 18 Cb -0.05 -1.27 0.08 0.00 0.03 0.00 0.00 46.19 44.99 1ttf s LEU 18 CO -0.09 0.20 0.03 -0.22 0.23 0.00 0.00 176.35 176.50 1ttf s LEU 19 N -1.87 2.30 0.39 1.79 0.20 -1.04 -0.99 118.68 119.46 1ttf s LEU 19 Ca 0.14 -1.34 0.08 0.00 0.69 0.00 0.00 54.13 53.69 1ttf s LEU 19 Cb -0.10 -0.96 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 1ttf s LEU 19 CO 0.05 -0.33 0.35 0.27 -0.29 0.00 0.00 176.35 176.41 1ttf s ILE 20 N 1.55 2.96 -0.28 6.68 -4.36 -1.07 -0.91 121.20 125.78 1ttf s ILE 20 Ca 0.02 -1.34 -0.18 0.00 -0.26 0.00 0.00 60.65 58.89 1ttf s ILE 20 Cb -0.18 -3.06 0.09 0.00 1.25 0.00 0.00 42.46 40.56 1ttf s ILE 20 CO -0.14 -0.06 0.76 -0.94 0.24 0.00 0.00 174.94 174.80 1ttf s SER 21 N -4.09 -0.82 0.00 4.36 1.04 -0.99 -2.62 113.70 110.57 1ttf s SER 21 Ca 0.46 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1ttf s SER 21 Cb -0.04 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.43 1ttf s SER 21 CO 0.28 -0.22 0.00 -2.67 0.98 0.00 0.00 173.24 171.61 1ttf n TRP 22 N 3.84 0.00 -3.60 5.02 2.14 -0.81 -2.21 117.44 121.82 1ttf n TRP 22 Ca -0.18 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.32 1ttf n TRP 22 Cb 0.58 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 31.06 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 -0.31 -0.03 -0.67 -1.08 -1.07 -4.76 116.67 109.75 1ttf s ASP 23 Ca 0.00 -0.17 0.03 0.00 -0.52 0.00 0.00 52.55 51.89 1ttf s ASP 23 Cb 0.00 0.45 0.00 0.00 -1.46 0.00 0.00 42.92 41.91 1ttf s ASP 23 CO 0.00 -0.77 -0.11 0.00 0.52 0.00 0.00 175.17 174.81 1ttf s ALA 24 N -3.24 1.01 1.01 3.66 0.00 -1.26 -4.18 121.76 118.76 1ttf s ALA 24 Ca 0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1ttf s ALA 24 Cb -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.79 1ttf s ALA 24 CO -0.05 0.18 0.08 -0.35 0.00 0.00 0.00 175.76 175.62 1ttf n PRO 25 N 3.20 -2.11 -0.19 0.00 -0.04 -1.26 -4.89 135.00 129.71 1ttf n PRO 25 Ca -0.18 -0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.25 1ttf n PRO 25 Cb 0.54 -0.19 0.27 0.00 -0.04 0.00 0.00 33.50 34.09 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 -3.16 2.45 -1.67 0.55 0.00 -1.26 -4.93 120.51 112.48 1ttf n ALA 26 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 53.44 52.28 1ttf n ALA 26 Cb 0.06 -0.96 0.22 0.00 0.00 0.00 0.00 19.45 18.76 1ttf n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ttf s VAL 27 N -1.51 1.85 0.02 0.00 0.11 -1.26 -4.94 120.40 114.68 1ttf s VAL 27 Ca 0.36 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 1ttf s VAL 27 Cb 0.20 -2.84 -0.07 0.00 -1.53 0.00 0.00 36.38 32.14 1ttf s VAL 27 CO 0.28 0.00 1.63 -0.89 -3.33 0.00 0.00 175.10 172.79 1ttf s THR 28 N -3.65 3.30 -0.20 5.04 2.01 -1.26 -4.98 115.64 115.89 1ttf s THR 28 Ca 0.75 0.62 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 1ttf s THR 28 Cb -0.04 -3.40 0.06 0.00 0.01 0.00 0.00 72.50 69.13 1ttf s THR 28 CO 0.54 -0.02 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.76 1ttf s VAL 29 N 3.10 0.92 0.00 3.82 1.01 -1.26 -4.72 120.40 123.27 1ttf s VAL 29 Ca 0.73 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1ttf s VAL 29 Cb -0.37 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ttf s VAL 29 CO 0.31 -0.14 0.30 0.54 0.00 0.00 0.00 175.10 176.11 1ttf n ARG 30 N 4.90 0.00 -4.04 2.72 5.12 -0.95 -4.84 116.66 119.57 1ttf n ARG 30 Ca -0.10 0.17 -0.10 0.00 -1.93 0.00 0.00 57.85 55.89 1ttf n ARG 30 Cb 0.46 -0.89 -0.07 0.00 -1.16 0.00 0.00 32.46 30.80 1ttf n ARG 30 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1ttf s TYR 31 N -0.94 0.58 0.27 -1.55 -0.85 -1.01 -4.18 117.35 109.67 1ttf s TYR 31 Ca 0.00 -0.91 0.11 0.00 -0.52 0.00 0.00 57.07 55.75 1ttf s TYR 31 Cb 0.00 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.19 1ttf s TYR 31 CO 0.00 -0.80 -0.19 0.71 -1.52 0.00 0.00 175.55 173.76 1ttf s TYR 32 N -4.04 2.22 0.05 -3.49 1.51 0.31 -2.38 117.35 111.54 1ttf s TYR 32 Ca 0.25 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1ttf s TYR 32 Cb 0.03 -0.99 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1ttf s TYR 32 CO 0.06 0.67 -0.18 0.50 -1.11 0.00 0.00 175.55 175.49 1ttf s ARG 33 N -3.53 1.13 -0.30 -0.62 3.52 -1.02 -1.60 118.95 116.53 1ttf s ARG 33 Ca 0.29 -0.89 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1ttf s ARG 33 Cb -0.04 -1.21 0.10 0.00 -1.56 0.00 0.00 34.95 32.24 1ttf s ARG 33 CO 0.14 0.30 0.13 0.42 -0.81 0.00 0.00 175.30 175.48 1ttf s ILE 34 N -0.89 0.20 -0.11 4.11 1.01 -0.46 -2.65 121.20 122.41 1ttf s ILE 34 Ca 0.04 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 1ttf s ILE 34 Cb -0.09 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1ttf s ILE 34 CO 0.02 -0.73 0.01 0.42 0.00 0.00 0.00 174.94 174.66 1ttf s THR 35 N 1.91 4.41 -0.01 2.92 -4.23 -0.82 -2.27 115.64 117.55 1ttf s THR 35 Ca 0.10 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.33 1ttf s THR 35 Cb -0.17 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 70.80 1ttf s THR 35 CO -0.32 0.58 0.16 -0.72 -0.54 0.00 0.00 174.62 173.78 1ttf s TYR 36 N -0.60 -0.03 -0.26 3.99 1.13 -0.55 -1.29 117.35 119.75 1ttf s TYR 36 Ca 0.10 0.03 -0.25 0.00 -1.41 0.00 0.00 57.07 55.53 1ttf s TYR 36 Cb -0.12 -0.01 0.09 0.00 -1.10 0.00 0.00 41.96 40.82 1ttf s TYR 36 CO 0.02 -0.26 0.86 0.20 -2.51 0.00 0.00 175.55 173.86 1ttf s GLY 37 N -1.10 -0.37 0.37 5.49 0.00 -1.04 -2.69 107.32 107.97 1ttf s GLY 37 Ca -0.12 2.27 -0.26 0.00 0.00 0.00 0.00 44.72 46.61 1ttf s GLY 37 CO 0.02 1.73 1.12 -1.83 0.00 0.00 0.00 173.10 174.14 1ttf s GLU 38 N 0.20 4.24 -0.48 2.90 4.04 -1.26 -2.57 118.70 125.77 1ttf s GLU 38 Ca 0.01 1.76 -0.28 0.00 0.04 0.00 0.00 54.97 56.49 1ttf s GLU 38 Cb -0.05 -2.78 0.01 0.00 0.02 0.00 0.00 34.13 31.33 1ttf s GLU 38 CO -0.02 -0.13 1.47 0.99 -1.84 0.00 0.00 175.26 175.73 1ttf s THR 39 N -1.41 3.79 0.00 1.83 2.01 -1.26 -4.41 115.64 116.19 1ttf s THR 39 Ca 0.54 0.74 0.00 0.00 0.31 0.00 0.00 61.69 63.27 1ttf s THR 39 Cb -0.29 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 67.97 1ttf s THR 39 CO 0.37 -0.92 0.00 0.61 -0.69 0.00 0.00 174.62 173.99 1ttf n GLY 40 N 5.22 0.22 2.49 4.40 0.00 -1.26 -4.99 105.19 111.27 1ttf n GLY 40 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.41 0.10 -0.02 0.00 -1.26 -4.87 105.19 99.55 1ttf n GLY 41 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1ttf n GLY 41 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ttf h ASN 42 N 0.00 0.20 0.00 1.61 2.35 -1.94 -3.48 115.58 114.32 1ttf h ASN 42 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 1ttf h ASN 42 Cb 0.25 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1ttf h ASN 42 CO 0.00 1.31 0.00 -1.54 -1.65 0.00 0.00 177.43 175.55 1ttf n SER 43 N -4.31 0.00 -4.71 5.81 3.41 -1.26 -5.15 113.62 107.41 1ttf n SER 43 Ca -0.18 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.07 1ttf n SER 43 Cb 0.69 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.72 1ttf n SER 43 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ttf n PRO 44 N 0.00 0.83 0.00 4.33 -0.02 -1.26 -4.79 135.00 134.08 1ttf n PRO 44 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1ttf n PRO 44 Cb 0.00 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 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 -2.31 0.00 -1.93 -1.45 0.31 -1.16 -4.98 118.33 106.82 1ttf n VAL 45 Ca 0.15 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.97 1ttf n VAL 45 Cb 0.49 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1ttf n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf n GLN 46 N -0.04 0.00 -3.86 5.55 10.64 -1.10 -5.04 117.38 123.54 1ttf n GLN 46 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 1ttf n GLN 46 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 1ttf s GLU 47 N 1.73 1.94 -0.14 2.61 1.03 -1.26 -1.48 118.70 123.13 1ttf s GLU 47 Ca 0.00 -1.19 -0.30 0.00 0.03 0.00 0.00 54.97 53.52 1ttf s GLU 47 Cb 0.00 0.60 0.10 0.00 -0.80 0.00 0.00 34.13 34.04 1ttf s GLU 47 CO 0.00 -0.89 0.87 -0.59 -1.33 0.00 0.00 175.26 173.32 1ttf s PHE 48 N -3.32 -0.51 0.37 4.83 -0.71 -0.96 -4.98 117.98 112.70 1ttf s PHE 48 Ca 0.14 0.95 0.08 0.00 -1.04 0.00 0.00 56.93 57.06 1ttf s PHE 48 Cb -0.05 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 1ttf s PHE 48 CO 0.09 -0.42 0.14 0.95 -1.34 0.00 0.00 175.22 174.64 1ttf s THR 49 N -0.89 2.64 0.07 -4.49 -4.23 -1.26 -1.36 115.64 106.13 1ttf s THR 49 Ca -0.04 -1.73 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1ttf s THR 49 Cb -0.01 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1ttf s THR 49 CO 0.04 -0.10 0.20 0.68 -0.54 0.00 0.00 174.62 174.89 1ttf s VAL 50 N -2.52 0.13 -2.00 2.29 -7.23 -0.63 -4.96 120.40 105.49 1ttf s VAL 50 Ca 0.39 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1ttf s VAL 50 Cb 0.01 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1ttf s VAL 50 CO 0.22 -0.58 0.20 -0.81 -0.31 0.00 0.00 175.10 173.82 1ttf n PRO 51 N 0.19 0.01 -0.68 4.82 -0.04 -1.26 -0.53 135.00 137.51 1ttf n PRO 51 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ttf n PRO 51 Cb 0.61 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.68 0.65 0.16 0.55 0.00 -1.26 -4.40 105.19 100.22 1ttf n GLY 52 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.65 -3.33 1.61 0.02 -1.88 -3.43 113.55 107.19 1ttf h SER 53 Ca 0.00 -0.54 -0.58 0.00 -0.84 0.00 0.00 61.79 59.84 1ttf h SER 53 Cb 0.00 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.27 1ttf h SER 53 CO 0.00 1.35 0.81 -0.75 -1.14 0.00 0.00 176.83 177.09 1ttf s LYS 54 N -3.21 4.05 0.00 3.45 2.20 -1.26 -4.88 119.74 120.09 1ttf s LYS 54 Ca -0.07 1.01 0.30 0.00 -0.36 0.00 0.00 55.97 56.86 1ttf s LYS 54 Cb 0.08 -3.74 1.58 0.00 -1.51 0.00 0.00 37.83 34.24 1ttf s LYS 54 CO 0.89 -0.89 2.05 0.43 -0.36 0.00 0.00 175.35 177.47 1ttf n SER 55 N 6.83 0.30 -4.20 1.43 7.64 -1.26 -4.83 113.62 119.53 1ttf n SER 55 Ca 0.11 -0.82 -0.14 0.00 1.01 0.00 0.00 58.87 59.04 1ttf n SER 55 Cb 0.47 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.21 0.96 -0.24 0.44 -4.23 -1.26 -1.93 115.64 107.18 1ttf s THR 56 Ca 0.39 -1.82 -0.24 0.00 -1.18 0.00 0.00 61.69 58.84 1ttf s THR 56 Cb 0.21 -1.56 0.07 0.00 1.34 0.00 0.00 72.50 72.55 1ttf s THR 56 CO 0.40 -0.67 0.68 0.00 -0.54 0.00 0.00 174.62 174.50 1ttf s ALA 57 N -2.92 -1.69 -0.10 3.99 0.00 -1.08 -5.03 121.76 114.93 1ttf s ALA 57 Ca 0.10 1.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.90 1ttf s ALA 57 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1ttf s ALA 57 CO -0.01 -0.33 0.06 0.99 0.00 0.00 0.00 175.76 176.48 1ttf s THR 58 N 0.26 4.86 0.04 0.00 2.01 -1.26 -2.58 115.64 118.96 1ttf s THR 58 Ca -0.01 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1ttf s THR 58 Cb -0.04 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 1ttf s THR 58 CO 0.02 0.61 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.96 1ttf s ILE 59 N -0.90 0.59 0.00 1.82 2.07 -0.17 -5.01 121.20 119.60 1ttf s ILE 59 Ca 0.14 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 1ttf s ILE 59 Cb -0.12 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.84 1ttf s ILE 59 CO 0.03 -0.32 0.00 -0.24 -1.91 0.00 0.00 174.94 172.49 1ttf n SER 60 N 1.56 0.00 -3.37 4.50 2.88 -1.26 0.12 113.62 118.04 1ttf n SER 60 Ca -0.22 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.13 1ttf n SER 60 Cb 0.55 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.09 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ttf n GLY 61 N 0.00 -0.38 1.04 0.46 0.00 -1.26 -4.97 105.19 100.08 1ttf n GLY 61 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.30 0.00 -4.27 0.99 -0.00 -1.26 -5.11 117.00 103.05 1ttf n LEU 62 Ca -0.17 -0.97 -0.32 0.00 -0.00 0.00 0.00 56.01 54.55 1ttf n LEU 62 Cb 0.62 0.32 -0.16 0.00 -0.00 0.00 0.00 43.42 44.20 1ttf n LEU 62 CO 0.60 -0.15 -0.52 -0.54 -0.00 0.00 0.00 177.39 176.77 1ttf s LYS 63 N -2.48 3.16 0.38 1.47 1.02 -1.26 -4.98 119.74 117.04 1ttf s LYS 63 Ca 0.06 -0.82 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 1ttf s LYS 63 Cb 0.00 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.80 1ttf s LYS 63 CO 0.04 0.19 1.45 -1.25 -0.92 0.00 0.00 175.35 174.86 1ttf s PRO 64 N 0.34 4.08 -0.38 -1.68 0.04 -1.26 -4.02 135.00 132.12 1ttf s PRO 64 Ca -0.16 2.48 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 1ttf s PRO 64 Cb -0.17 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.45 1ttf s PRO 64 CO 0.08 -0.52 0.38 0.41 0.04 0.00 0.00 177.00 177.38 1ttf n GLY 65 N 0.53 -2.28 3.56 0.56 0.00 -1.24 -5.05 105.19 101.28 1ttf n GLY 65 Ca 0.01 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.18 0.00 0.53 1.61 0.11 0.10 -5.02 120.40 115.55 1ttf s VAL 66 Ca 0.16 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 1ttf s VAL 66 Cb -0.04 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.75 1ttf s VAL 66 CO 0.76 0.00 1.13 -0.62 -3.33 0.00 0.00 175.10 173.04 1ttf s ASP 67 N -0.99 5.81 -0.12 3.54 2.15 -1.26 -2.55 116.67 123.25 1ttf s ASP 67 Ca -0.05 2.19 -0.09 0.00 0.43 0.00 0.00 52.55 55.03 1ttf s ASP 67 Cb -0.01 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1ttf s ASP 67 CO 0.04 -1.16 0.30 -0.31 -0.17 0.00 0.00 175.17 173.87 1ttf s TYR 68 N -1.74 -0.36 -0.20 -5.34 2.02 -0.46 -4.12 117.35 107.14 1ttf s TYR 68 Ca 0.71 0.86 -0.01 0.00 -0.37 0.00 0.00 57.07 58.26 1ttf s TYR 68 Cb -0.24 0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.45 1ttf s TYR 68 CO 0.28 -0.19 -0.13 0.99 -1.57 0.00 0.00 175.55 174.93 1ttf s THR 69 N 0.50 2.62 0.16 -0.71 2.01 -1.06 -1.10 115.64 118.06 1ttf s THR 69 Ca -0.03 -0.80 0.10 0.00 0.31 0.00 0.00 61.69 61.28 1ttf s THR 69 Cb -0.04 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1ttf s THR 69 CO -0.03 0.45 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.64 1ttf s ILE 70 N 1.36 2.56 -0.03 1.82 2.07 -1.11 -2.50 121.20 125.37 1ttf s ILE 70 Ca 0.05 -1.82 -0.01 0.00 -1.41 0.00 0.00 60.65 57.45 1ttf s ILE 70 Cb -0.14 -2.21 0.03 0.00 0.13 0.00 0.00 42.46 40.27 1ttf s ILE 70 CO -0.08 -0.04 0.06 -0.89 -1.91 0.00 0.00 174.94 172.08 1ttf s THR 71 N -1.46 -0.09 0.03 4.00 2.01 -0.41 -2.13 115.64 117.60 1ttf s THR 71 Ca 0.20 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.55 1ttf s THR 71 Cb -0.09 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1ttf s THR 71 CO 0.10 0.12 -0.16 0.68 -0.69 0.00 0.00 174.62 174.67 1ttf s VAL 72 N 1.52 2.95 -0.14 3.82 -7.23 -0.81 -1.94 120.40 118.56 1ttf s VAL 72 Ca -0.04 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1ttf s VAL 72 Cb -0.12 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.58 1ttf s VAL 72 CO -0.03 0.35 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.59 1ttf s TYR 73 N -0.93 2.69 -0.97 2.82 1.51 -1.08 -2.68 117.35 118.71 1ttf s TYR 73 Ca 0.15 -1.28 -0.15 0.00 -1.01 0.00 0.00 57.07 54.78 1ttf s TYR 73 Cb -0.11 -1.83 0.19 0.00 -0.11 0.00 0.00 41.96 40.11 1ttf s TYR 73 CO 0.06 -0.58 1.05 0.00 -1.11 0.00 0.00 175.55 174.97 1ttf s ALA 74 N 0.81 3.94 -0.28 3.71 0.00 -1.26 -2.42 121.76 126.26 1ttf s ALA 74 Ca -0.07 -3.23 -0.23 0.00 0.00 0.00 0.00 51.96 48.42 1ttf s ALA 74 Cb -0.16 -3.80 -0.00 0.00 0.00 0.00 0.00 23.12 19.16 1ttf s ALA 74 CO -0.01 -2.58 0.78 0.08 0.00 0.00 0.00 175.76 174.03 1ttf s VAL 75 N 1.00 4.83 -0.03 0.00 1.01 -1.00 -4.82 120.40 121.39 1ttf s VAL 75 Ca 0.29 1.32 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 1ttf s VAL 75 Cb -0.07 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1ttf s VAL 75 CO -0.08 -0.15 -0.05 1.07 0.00 0.00 0.00 175.10 175.89 1ttf n THR 76 N 5.39 0.25 -0.03 3.92 5.66 -1.26 -2.24 114.28 125.96 1ttf n THR 76 Ca 0.04 0.41 0.00 0.00 -3.05 0.00 0.00 64.05 61.45 1ttf n THR 76 Cb 0.48 -1.60 0.00 0.00 -1.55 0.00 0.00 70.33 67.66 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 1.66 0.90 0.17 1.09 0.00 -1.26 -3.69 105.19 104.05 1ttf n GLY 77 Ca -0.02 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1ttf n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ttf h ARG 78 N 0.00 0.44 0.00 1.61 2.43 -1.96 -3.46 114.38 113.44 1ttf h ARG 78 Ca 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1ttf h ARG 78 Cb 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1ttf h ARG 78 CO 0.00 1.09 0.00 0.41 -1.51 0.00 0.00 179.97 179.96 1ttf n GLY 79 N 0.85 -0.22 0.00 2.80 0.00 -1.26 -5.07 105.19 102.29 1ttf n GLY 79 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ttf n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ttf n ASP 80 N 0.00 0.00 -4.77 1.61 5.68 -1.26 -5.13 116.55 112.68 1ttf n ASP 80 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 1ttf n ASP 80 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ttf s SER 81 N 1.95 5.89 0.16 -1.12 0.15 -1.26 -4.94 113.70 114.54 1ttf s SER 81 Ca 0.00 2.28 -0.32 0.00 0.70 0.00 0.00 55.95 58.61 1ttf s SER 81 Cb 0.00 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 1ttf s SER 81 CO 0.00 -1.11 1.65 -2.16 1.20 0.00 0.00 173.24 172.82 1ttf s PRO 82 N -2.98 4.18 -1.08 5.44 0.04 -1.26 -4.38 135.00 134.95 1ttf s PRO 82 Ca 0.68 2.45 -0.02 0.00 0.04 0.00 0.00 61.00 64.15 1ttf s PRO 82 Cb -0.27 -3.23 0.28 0.00 0.04 0.00 0.00 34.50 31.31 1ttf s PRO 82 CO 0.32 -0.69 1.97 0.00 0.04 0.00 0.00 177.00 178.64 1ttf n ALA 83 N 4.34 6.26 -2.47 8.56 0.00 -1.26 -4.83 120.51 131.11 1ttf n ALA 83 Ca 0.15 -4.46 -0.42 0.00 0.00 0.00 0.00 53.44 48.71 1ttf n ALA 83 Cb 0.38 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.53 1ttf n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ttf n SER 84 N 0.31 6.79 -1.07 0.00 2.88 -1.26 -4.34 113.62 116.92 1ttf n SER 84 Ca 0.51 -3.33 -0.03 0.00 -1.33 0.00 0.00 58.87 54.69 1ttf n SER 84 Cb 0.26 -1.32 0.20 0.00 -0.75 0.00 0.00 64.21 62.60 1ttf n SER 84 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ttf n SER 85 N 1.70 2.32 -1.16 -3.46 7.64 -1.26 -4.63 113.62 114.76 1ttf n SER 85 Ca 0.44 -3.81 0.04 0.00 1.01 0.00 0.00 58.87 56.55 1ttf n SER 85 Cb 0.30 -0.62 0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1ttf n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ttf n LYS 86 N -1.12 0.22 -1.74 1.43 4.81 -1.26 -5.10 118.16 115.39 1ttf n LYS 86 Ca 0.31 -1.98 -0.42 0.00 -0.87 0.00 0.00 58.31 55.35 1ttf n LYS 86 Cb 0.98 -0.33 -0.01 0.00 0.02 0.00 0.00 35.03 35.69 1ttf n LYS 86 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ttf n PRO 87 N 0.16 2.50 -3.74 1.64 -0.04 -1.26 -4.50 135.00 129.76 1ttf n PRO 87 Ca 0.07 0.88 -0.12 0.00 -0.04 0.00 0.00 63.50 64.28 1ttf n PRO 87 Cb 1.00 -2.58 -0.13 0.00 -0.04 0.00 0.00 33.50 31.75 1ttf n PRO 87 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ttf s ILE 88 N -0.82 -0.03 0.09 0.52 2.07 -1.09 -5.04 121.20 116.90 1ttf s ILE 88 Ca 0.57 0.12 0.05 0.00 -1.41 0.00 0.00 60.65 59.98 1ttf s ILE 88 Cb -0.51 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 1ttf s ILE 88 CO 0.59 0.05 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.60 1ttf s SER 89 N 1.02 1.72 -0.04 4.50 1.04 -1.26 -1.92 113.70 118.76 1ttf s SER 89 Ca -0.07 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.55 1ttf s SER 89 Cb -0.09 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1ttf s SER 89 CO -0.07 -0.13 0.23 0.27 0.98 0.00 0.00 173.24 174.52 1ttf s ILE 90 N -1.74 0.05 0.23 -1.02 -4.36 -0.90 -5.02 121.20 108.43 1ttf s ILE 90 Ca 0.02 -0.38 -0.07 0.00 -0.26 0.00 0.00 60.65 59.96 1ttf s ILE 90 Cb -0.07 -0.46 -0.06 0.00 1.25 0.00 0.00 42.46 43.12 1ttf s ILE 90 CO 0.02 -0.21 0.51 0.54 0.24 0.00 0.00 174.94 176.04 1ttf s ASN 91 N -0.83 6.55 -0.21 4.36 4.22 -1.26 -2.75 114.94 125.02 1ttf s ASN 91 Ca -0.09 0.79 -0.17 0.00 -2.14 0.00 0.00 52.86 51.26 1ttf s ASN 91 Cb -0.05 -2.17 0.06 0.00 1.28 0.00 0.00 41.25 40.36 1ttf s ASN 91 CO 0.02 -0.08 0.54 -0.47 -2.04 0.00 0.00 177.10 175.07 1ttf s TYR 92 N -1.85 -0.66 -0.41 1.54 6.14 -0.26 -5.01 117.35 116.84 1ttf s TYR 92 Ca 0.45 1.51 -0.18 0.00 0.64 0.00 0.00 57.07 59.50 1ttf s TYR 92 Cb -0.11 0.27 0.02 0.00 0.42 0.00 0.00 41.96 42.56 1ttf s TYR 92 CO 0.24 -0.33 0.46 -0.98 0.64 0.00 0.00 175.55 175.58 1ttf s ARG 93 N 0.67 3.18 0.00 4.97 1.70 -1.26 -1.35 118.95 126.85 1ttf s ARG 93 Ca -0.03 -0.66 0.08 0.00 -0.47 0.00 0.00 55.73 54.65 1ttf s ARG 93 Cb -0.05 -3.94 0.07 0.00 -0.57 0.00 0.00 34.95 30.45 1ttf s ARG 93 CO -0.04 -0.83 0.76 0.25 -1.08 0.00 0.00 175.30 174.35