#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 -0.04 -1.34 3.41 -1.26 -5.05 113.62 109.34 1ttf n SER 2 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1ttf n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1ttf n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ttf n ASP 3 N 0.00 3.37 -4.72 4.04 8.00 -1.26 -4.68 116.55 121.30 1ttf n ASP 3 Ca 0.00 -0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 1ttf n ASP 3 Cb 0.00 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ttf s VAL 4 N -2.16 2.25 -0.49 2.53 1.01 -1.26 -4.78 120.40 117.50 1ttf s VAL 4 Ca -0.09 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1ttf s VAL 4 Cb 0.03 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1ttf s VAL 4 CO 0.21 0.01 1.57 -2.16 0.00 0.00 0.00 175.10 174.73 1ttf s PRO 5 N 1.29 3.25 0.00 2.72 0.04 -1.26 -4.85 135.00 136.20 1ttf s PRO 5 Ca 0.74 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1ttf s PRO 5 Cb -0.48 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1ttf s PRO 5 CO 0.32 -1.97 0.00 -2.13 0.04 0.00 0.00 177.00 173.26 1ttf n ARG 6 N 8.57 0.00 -1.39 4.56 0.63 -1.26 -4.95 116.66 122.82 1ttf n ARG 6 Ca 0.17 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.04 1ttf n ARG 6 Cb 0.49 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.38 1ttf n ARG 6 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ttf n ASP 7 N 0.00 -3.38 -4.59 6.15 2.03 -1.26 -2.02 116.55 113.47 1ttf n ASP 7 Ca 0.00 0.11 -0.41 0.00 0.52 0.00 0.00 54.79 55.01 1ttf n ASP 7 Cb 0.00 -1.72 0.02 0.00 -0.72 0.00 0.00 41.12 38.70 1ttf n ASP 7 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ttf n LEU 8 N -0.70 2.48 -3.62 -2.67 4.32 -1.26 -4.71 117.00 110.83 1ttf n LEU 8 Ca -0.06 0.99 -0.14 0.00 -0.02 0.00 0.00 56.01 56.77 1ttf n LEU 8 Cb 0.28 -1.33 -0.07 0.00 -1.62 0.00 0.00 43.42 40.67 1ttf n LEU 8 CO 0.09 -1.69 0.41 -0.70 -1.22 0.00 0.00 177.39 174.28 1ttf s GLU 9 N -2.07 0.85 -0.47 3.23 -6.30 -0.79 -5.00 118.70 108.14 1ttf s GLU 9 Ca 0.65 0.92 -0.29 0.00 -2.50 0.00 0.00 54.97 53.75 1ttf s GLU 9 Cb -0.54 0.41 0.03 0.00 0.00 0.00 0.00 34.13 34.03 1ttf s GLU 9 CO 0.56 -0.12 1.21 0.08 0.02 0.00 0.00 175.26 177.01 1ttf s VAL 10 N 0.24 4.11 -0.01 3.70 1.01 -1.26 -2.66 120.40 125.54 1ttf s VAL 10 Ca -0.01 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1ttf s VAL 10 Cb -0.05 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 1ttf s VAL 10 CO 0.02 -0.99 0.66 0.58 0.00 0.00 0.00 175.10 175.37 1ttf h VAL 11 N 6.29 0.00 -3.62 2.92 2.07 -1.77 -3.49 116.25 118.66 1ttf h VAL 11 Ca -0.24 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 1ttf h VAL 11 Cb 1.07 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 1ttf h VAL 11 CO 1.13 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 178.58 1ttf s ALA 12 N -3.74 -0.38 -0.09 1.67 0.00 -1.24 -5.05 121.76 112.93 1ttf s ALA 12 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1ttf s ALA 12 Cb 0.01 0.93 0.01 0.00 0.00 0.00 0.00 23.12 24.06 1ttf s ALA 12 CO 0.18 -0.77 -0.15 0.00 0.00 0.00 0.00 175.76 175.02 1ttf s ALA 13 N -3.95 1.55 0.28 0.00 0.00 -1.26 -1.86 121.76 116.52 1ttf s ALA 13 Ca 0.16 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1ttf s ALA 13 Cb 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1ttf s ALA 13 CO 0.02 0.02 0.31 0.95 0.00 0.00 0.00 175.76 177.06 1ttf s THR 14 N 0.83 4.44 -0.77 0.00 -4.23 0.96 -4.96 115.64 111.92 1ttf s THR 14 Ca -0.10 -1.21 -0.28 0.00 -1.18 0.00 0.00 61.69 58.92 1ttf s THR 14 Cb -0.15 -3.49 -0.16 0.00 1.34 0.00 0.00 72.50 70.04 1ttf s THR 14 CO 0.01 -0.28 2.55 -2.65 -0.54 0.00 0.00 174.62 173.72 1ttf n PRO 15 N -1.36 0.47 -2.95 3.99 -0.02 -1.26 0.01 135.00 133.88 1ttf n PRO 15 Ca -0.06 -0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 1ttf n PRO 15 Cb 0.58 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.71 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ttf n THR 16 N 7.69 -2.38 -3.58 3.45 -2.24 -1.26 -5.03 114.28 110.94 1ttf n THR 16 Ca 0.53 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1ttf n THR 16 Cb 0.27 -3.32 -0.06 0.00 -2.10 0.00 0.00 70.33 65.13 1ttf n THR 16 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ttf s SER 17 N -3.43 -0.50 0.02 3.42 0.15 0.10 -3.94 113.70 109.51 1ttf s SER 17 Ca 0.17 0.69 0.05 0.00 0.70 0.00 0.00 55.95 57.57 1ttf s SER 17 Cb -0.08 0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1ttf s SER 17 CO 0.40 -0.37 -0.16 -0.76 1.20 0.00 0.00 173.24 173.55 1ttf s LEU 18 N -0.70 2.11 -0.36 3.45 1.43 -0.05 -0.03 118.68 124.53 1ttf s LEU 18 Ca -0.03 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ttf s LEU 18 Cb -0.02 -0.75 0.09 0.00 0.03 0.00 0.00 46.19 45.55 1ttf s LEU 18 CO 0.02 0.13 0.10 -0.22 0.23 0.00 0.00 176.35 176.61 1ttf s LEU 19 N -0.78 4.78 0.01 1.79 0.20 -0.78 -1.26 118.68 122.63 1ttf s LEU 19 Ca 0.05 -1.91 -0.03 0.00 0.69 0.00 0.00 54.13 52.93 1ttf s LEU 19 Cb -0.07 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 1ttf s LEU 19 CO 0.00 -0.43 0.20 0.27 -0.29 0.00 0.00 176.35 176.11 1ttf s ILE 20 N 1.08 5.41 -0.02 6.68 -5.25 -0.79 -2.04 121.20 126.27 1ttf s ILE 20 Ca 0.06 -0.14 0.00 0.00 -0.99 0.00 0.00 60.65 59.58 1ttf s ILE 20 Cb -0.21 -3.56 0.02 0.00 2.95 0.00 0.00 42.46 41.67 1ttf s ILE 20 CO -0.05 0.30 0.02 -0.44 -1.79 0.00 0.00 174.94 172.98 1ttf s SER 21 N -2.00 0.09 0.00 4.36 0.01 -1.09 -2.06 113.70 113.02 1ttf s SER 21 Ca 0.29 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1ttf s SER 21 Cb -0.13 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1ttf s SER 21 CO 0.20 -0.10 0.00 -2.67 0.41 0.00 0.00 173.24 171.08 1ttf n TRP 22 N 3.93 0.00 -3.65 2.43 2.14 -1.08 -1.89 117.44 119.32 1ttf n TRP 22 Ca -0.24 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.12 1ttf n TRP 22 Cb 0.52 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.01 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 6.14 -0.43 -0.67 2.15 -0.86 -4.91 116.67 119.09 1ttf s ASP 23 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1ttf s ASP 23 Cb 0.00 -1.59 0.21 0.00 -0.30 0.00 0.00 42.92 41.24 1ttf s ASP 23 CO 0.00 -0.28 0.94 0.00 -0.17 0.00 0.00 175.17 175.66 1ttf n ALA 24 N -1.58 -2.82 -0.84 3.66 0.00 -1.26 -4.77 120.51 112.90 1ttf n ALA 24 Ca -0.04 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.60 1ttf n ALA 24 Cb 0.57 -2.41 0.20 0.00 0.00 0.00 0.00 19.45 17.82 1ttf n ALA 24 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ttf s PRO 25 N 0.86 0.01 0.00 0.00 0.02 -1.26 -4.91 135.00 129.71 1ttf s PRO 25 Ca 0.27 0.83 0.20 0.00 0.02 0.00 0.00 61.00 62.33 1ttf s PRO 25 Cb 0.09 -1.66 0.84 0.00 0.02 0.00 0.00 34.50 33.79 1ttf s PRO 25 CO -0.09 -3.10 1.59 0.00 -0.33 0.00 0.00 177.00 175.07 1ttf n ALA 26 N -4.48 2.54 -0.50 -1.55 0.00 -1.26 -4.90 120.51 110.36 1ttf n ALA 26 Ca 0.05 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 1ttf n ALA 26 Cb 0.55 -1.15 0.26 0.00 0.00 0.00 0.00 19.45 19.12 1ttf n ALA 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ttf n VAL 27 N 0.02 0.00 -2.03 0.00 3.14 -1.26 -4.85 118.33 113.34 1ttf n VAL 27 Ca 0.15 -0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 60.98 1ttf n VAL 27 Cb 0.26 -1.01 -0.03 0.00 -1.06 0.00 0.00 33.84 32.00 1ttf n VAL 27 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ttf s THR 28 N -2.26 3.62 -0.04 1.55 -4.23 -1.26 -4.98 115.64 108.05 1ttf s THR 28 Ca 0.64 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 1ttf s THR 28 Cb -0.10 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.27 1ttf s THR 28 CO 0.52 -0.08 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.83 1ttf s VAL 29 N 4.12 0.24 -0.11 2.29 1.01 -1.26 -4.68 120.40 122.00 1ttf s VAL 29 Ca 0.72 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 1ttf s VAL 29 Cb -0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1ttf s VAL 29 CO 0.29 0.17 -0.12 -0.09 0.00 0.00 0.00 175.10 175.35 1ttf h ARG 30 N 7.41 0.00 -3.95 2.72 2.43 -0.61 -3.46 114.38 118.92 1ttf h ARG 30 Ca -0.38 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.68 1ttf h ARG 30 Cb 1.13 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.57 1ttf h ARG 30 CO 0.43 0.00 -0.31 0.71 -1.51 0.00 0.00 179.97 179.29 1ttf s TYR 31 N -1.92 0.55 -0.01 2.20 2.02 -1.07 -4.47 117.35 114.65 1ttf s TYR 31 Ca -0.10 -0.88 0.02 0.00 -0.37 0.00 0.00 57.07 55.74 1ttf s TYR 31 Cb 0.01 -0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.50 1ttf s TYR 31 CO 0.14 -0.80 -0.05 0.71 -1.57 0.00 0.00 175.55 173.98 1ttf s TYR 32 N -4.03 0.57 -0.02 2.71 1.51 -0.87 -2.28 117.35 114.94 1ttf s TYR 32 Ca 0.24 -0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 56.18 1ttf s TYR 32 Cb 0.03 -0.41 0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1ttf s TYR 32 CO 0.06 -0.05 0.04 -0.98 -1.11 0.00 0.00 175.55 173.51 1ttf s ARG 33 N 0.12 -0.04 -0.10 -0.62 1.70 -1.15 0.19 118.95 119.05 1ttf s ARG 33 Ca -0.01 0.22 -0.00 0.00 -0.47 0.00 0.00 55.73 55.46 1ttf s ARG 33 Cb -0.05 -0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.03 1ttf s ARG 33 CO -0.00 -0.19 -0.09 0.42 -1.08 0.00 0.00 175.30 174.36 1ttf s ILE 34 N 1.20 3.50 -0.04 4.99 1.01 -0.85 -2.37 121.20 128.64 1ttf s ILE 34 Ca -0.07 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1ttf s ILE 34 Cb -0.13 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 1ttf s ILE 34 CO -0.03 0.55 -0.14 0.42 0.00 0.00 0.00 174.94 175.74 1ttf s THR 35 N -0.24 1.22 0.11 2.92 -4.23 -0.64 -1.70 115.64 113.08 1ttf s THR 35 Ca 0.03 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1ttf s THR 35 Cb -0.13 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 1ttf s THR 35 CO 0.03 0.36 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.69 1ttf s TYR 36 N 0.13 0.92 0.00 3.99 1.13 -0.82 -1.15 117.35 121.55 1ttf s TYR 36 Ca -0.04 -0.94 0.00 0.00 -1.41 0.00 0.00 57.07 54.68 1ttf s TYR 36 Cb -0.11 -0.53 0.00 0.00 -1.10 0.00 0.00 41.96 40.22 1ttf s TYR 36 CO 0.02 -0.17 0.00 0.41 -2.51 0.00 0.00 175.55 173.30 1ttf n GLY 37 N -0.06 3.19 0.00 5.49 0.00 -0.86 -2.22 105.19 110.73 1ttf n GLY 37 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.71 0.99 -0.54 1.61 1.02 -1.26 -2.28 120.64 119.47 1ttf n GLU 38 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1ttf n GLU 38 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 1ttf n GLU 38 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1ttf n THR 39 N -1.07 0.00 0.00 2.62 5.66 -1.26 -4.56 114.28 115.67 1ttf n THR 39 Ca 0.00 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1ttf n THR 39 Cb 0.00 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 1ttf n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttf n GLY 40 N 1.94 -3.00 7.00 1.09 0.00 -1.26 -4.74 105.19 106.22 1ttf n GLY 40 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.99 3.22 0.08 -0.02 0.00 -1.26 -3.14 105.19 103.07 1ttf n GLY 41 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 1ttf n GLY 41 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ttf h ASN 42 N 0.00 -0.10 -4.94 1.61 -0.73 -2.00 -3.49 115.58 105.93 1ttf h ASN 42 Ca 0.00 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.23 1ttf h ASN 42 Cb 0.00 0.03 -0.11 0.00 0.27 0.00 0.00 38.32 38.50 1ttf h ASN 42 CO 0.00 0.21 0.33 -0.44 -0.37 0.00 0.00 177.43 177.16 1ttf s SER 43 N -4.47 -0.41 0.87 1.15 0.01 -1.19 -5.16 113.70 104.52 1ttf s SER 43 Ca -0.02 -0.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.97 1ttf s SER 43 Cb 0.00 0.54 0.12 0.00 0.21 0.00 0.00 66.02 66.89 1ttf s SER 43 CO 0.05 -0.92 1.14 -0.81 0.41 0.00 0.00 173.24 173.11 1ttf n PRO 44 N -0.37 -0.20 0.08 12.44 -0.04 -1.26 -4.89 135.00 140.77 1ttf n PRO 44 Ca -0.11 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.33 1ttf n PRO 44 Cb 0.62 -2.38 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ttf h VAL 45 N -1.48 0.00 -1.79 0.52 2.07 -1.78 -3.49 116.25 110.31 1ttf h VAL 45 Ca -0.44 -0.10 0.17 0.00 0.82 0.00 0.00 66.70 67.15 1ttf h VAL 45 Cb 1.28 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1ttf h VAL 45 CO 0.43 0.00 0.47 1.67 0.02 0.00 0.00 177.57 180.16 1ttf n GLN 46 N -2.87 0.15 -3.81 1.57 0.00 -1.12 -5.05 117.38 106.25 1ttf n GLN 46 Ca -0.03 -0.51 -0.08 0.00 -0.00 0.00 0.00 57.00 56.38 1ttf n GLN 46 Cb 0.09 0.79 -0.03 0.00 0.00 0.00 0.00 30.24 31.09 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 -2.01 1.60 -0.10 3.69 -1.05 -1.26 -1.95 118.70 117.62 1ttf s GLU 47 Ca 0.16 -0.95 -0.29 0.00 -0.15 0.00 0.00 54.97 53.74 1ttf s GLU 47 Cb -0.01 0.56 0.07 0.00 -0.44 0.00 0.00 34.13 34.31 1ttf s GLU 47 CO 0.00 -0.71 0.67 -0.59 0.95 0.00 0.00 175.26 175.58 1ttf s PHE 48 N -3.91 -0.67 -0.23 4.83 -0.71 -0.69 -5.00 117.98 111.60 1ttf s PHE 48 Ca 0.12 1.28 -0.13 0.00 -1.04 0.00 0.00 56.93 57.16 1ttf s PHE 48 Cb -0.03 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 1ttf s PHE 48 CO 0.03 -0.54 0.26 0.95 -1.34 0.00 0.00 175.22 174.58 1ttf s THR 49 N -0.81 5.29 0.14 -4.49 -4.23 -1.26 -2.00 115.64 108.28 1ttf s THR 49 Ca -0.08 0.40 0.10 0.00 -1.18 0.00 0.00 61.69 60.93 1ttf s THR 49 Cb -0.01 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1ttf s THR 49 CO 0.08 0.30 -0.23 0.68 -0.54 0.00 0.00 174.62 174.90 1ttf s VAL 50 N 1.24 2.50 0.13 2.29 -7.23 0.13 -4.98 120.40 114.47 1ttf s VAL 50 Ca 0.12 -1.75 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 1ttf s VAL 50 Cb -0.14 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.55 1ttf s VAL 50 CO 0.06 0.03 1.75 -2.16 -0.31 0.00 0.00 175.10 174.48 1ttf s PRO 51 N -2.28 4.15 0.00 4.82 0.04 -1.26 -2.05 135.00 138.43 1ttf s PRO 51 Ca 0.17 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1ttf s PRO 51 Cb -0.10 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1ttf s PRO 51 CO 0.09 -0.78 0.67 0.41 0.04 0.00 0.00 177.00 177.43 1ttf n GLY 52 N 4.10 -0.20 0.19 0.56 0.00 -1.26 -0.48 105.19 108.10 1ttf n GLY 52 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1ttf n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ttf h SER 53 N 0.00 0.68 -3.20 1.61 0.87 -1.94 -3.43 113.55 108.13 1ttf h SER 53 Ca 0.00 -0.54 -0.53 0.00 -1.23 0.00 0.00 61.79 59.49 1ttf h SER 53 Cb 0.53 -0.19 0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1ttf h SER 53 CO 0.00 1.09 0.73 -0.54 -0.53 0.00 0.00 176.83 177.58 1ttf s LYS 54 N -4.07 4.32 0.00 2.24 -0.14 0.36 -4.90 119.74 117.55 1ttf s LYS 54 Ca -0.13 2.16 0.19 0.00 -1.36 0.00 0.00 55.97 56.83 1ttf s LYS 54 Cb 0.07 -3.18 -0.03 0.00 -1.68 0.00 0.00 37.83 33.01 1ttf s LYS 54 CO 0.82 -0.39 0.94 0.43 -0.76 0.00 0.00 175.35 176.40 1ttf n SER 55 N 3.11 1.72 -4.13 2.83 7.64 -1.26 -4.93 113.62 118.60 1ttf n SER 55 Ca 0.09 -1.36 -0.18 0.00 1.01 0.00 0.00 58.87 58.43 1ttf n SER 55 Cb 0.41 0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 64.05 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 -2.22 0.44 -0.15 0.44 -4.23 -1.26 -2.64 115.64 106.02 1ttf s THR 56 Ca 0.15 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.36 1ttf s THR 56 Cb 0.15 -2.55 0.13 0.00 1.34 0.00 0.00 72.50 71.57 1ttf s THR 56 CO 0.51 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.60 1ttf s ALA 57 N -3.63 -1.94 -0.19 3.99 0.00 -0.87 -5.02 121.76 114.10 1ttf s ALA 57 Ca 0.36 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.86 1ttf s ALA 57 Cb 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1ttf s ALA 57 CO 0.16 -0.37 -0.16 0.99 0.00 0.00 0.00 175.76 176.38 1ttf s THR 58 N -1.43 1.94 0.22 0.00 2.01 -1.26 -1.89 115.64 115.22 1ttf s THR 58 Ca 0.00 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1ttf s THR 58 Cb -0.01 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1ttf s THR 58 CO -0.01 0.38 0.08 0.27 -0.69 0.00 0.00 174.62 174.65 1ttf s ILE 59 N 1.31 3.99 0.33 1.82 -4.36 -0.39 -4.95 121.20 118.95 1ttf s ILE 59 Ca 0.02 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1ttf s ILE 59 Cb -0.15 -3.10 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 1ttf s ILE 59 CO -0.11 -0.26 0.41 -0.55 0.24 0.00 0.00 174.94 174.67 1ttf s SER 60 N -3.47 1.08 0.00 4.36 0.15 -1.26 -0.87 113.70 113.69 1ttf s SER 60 Ca 0.31 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1ttf s SER 60 Cb -0.08 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1ttf s SER 60 CO 0.22 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1ttf n GLY 61 N -0.57 0.62 0.00 9.45 0.00 -1.25 -5.03 105.19 108.41 1ttf n GLY 61 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.76 0.00 -3.96 0.99 -0.00 -1.26 -5.10 117.00 106.91 1ttf n LEU 62 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1ttf n LEU 62 Cb 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.63 1ttf n LEU 62 CO 0.00 0.00 -0.35 -0.54 -0.00 0.00 0.00 177.39 176.50 1ttf s LYS 63 N 1.36 0.28 -0.01 1.47 1.02 -1.26 -5.03 119.74 117.57 1ttf s LYS 63 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 1ttf s LYS 63 Cb 0.00 0.10 -0.06 0.00 -0.52 0.00 0.00 37.83 37.35 1ttf s LYS 63 CO 0.00 -0.05 1.54 -1.25 -0.92 0.00 0.00 175.35 174.67 1ttf s PRO 64 N -1.29 4.22 -0.20 -1.68 0.04 -1.26 -4.27 135.00 130.57 1ttf s PRO 64 Ca -0.14 2.11 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1ttf s PRO 64 Cb -0.09 -3.73 0.01 0.00 0.04 0.00 0.00 34.50 30.73 1ttf s PRO 64 CO -0.01 -0.71 0.03 0.41 0.04 0.00 0.00 177.00 176.76 1ttf n GLY 65 N 3.89 -4.00 3.60 0.56 0.00 -1.25 -5.09 105.19 102.91 1ttf n GLY 65 Ca 0.15 0.41 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.01 0.00 0.74 1.61 0.11 0.85 -5.02 120.40 117.67 1ttf s VAL 66 Ca -0.04 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 1ttf s VAL 66 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1ttf s VAL 66 CO 0.55 0.00 0.86 -0.67 -3.33 0.00 0.00 175.10 172.51 1ttf n ASP 67 N 1.51 0.03 -3.74 3.54 -0.08 -1.26 -2.43 116.55 114.12 1ttf n ASP 67 Ca -0.12 0.63 -0.12 0.00 -1.51 0.00 0.00 54.79 53.67 1ttf n ASP 67 Cb 0.57 -1.36 -0.12 0.00 2.34 0.00 0.00 41.12 42.55 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 -1.89 -0.41 -0.13 -0.67 1.51 0.31 -4.42 117.35 111.65 1ttf s TYR 68 Ca 0.71 0.94 0.00 0.00 -1.01 0.00 0.00 57.07 57.71 1ttf s TYR 68 Cb -0.34 0.13 0.02 0.00 -0.11 0.00 0.00 41.96 41.67 1ttf s TYR 68 CO 0.53 -0.23 -0.13 0.99 -1.11 0.00 0.00 175.55 175.60 1ttf s THR 69 N 0.81 1.45 0.32 -0.71 2.01 -0.96 -0.22 115.64 118.33 1ttf s THR 69 Ca -0.05 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.48 1ttf s THR 69 Cb -0.06 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1ttf s THR 69 CO -0.06 0.44 -0.01 0.27 -0.69 0.00 0.00 174.62 174.57 1ttf s ILE 70 N 1.45 2.82 -0.19 1.82 -5.25 -1.05 -2.04 121.20 118.76 1ttf s ILE 70 Ca 0.03 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 57.60 1ttf s ILE 70 Cb -0.13 -2.75 0.07 0.00 2.95 0.00 0.00 42.46 42.59 1ttf s ILE 70 CO -0.09 -0.26 0.44 -0.89 -1.79 0.00 0.00 174.94 172.35 1ttf s THR 71 N -2.47 -0.17 -0.04 8.37 2.01 -0.30 -2.34 115.64 120.71 1ttf s THR 71 Ca 0.34 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.50 1ttf s THR 71 Cb -0.02 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 1ttf s THR 71 CO 0.19 0.04 -0.23 0.68 -0.69 0.00 0.00 174.62 174.61 1ttf s VAL 72 N 1.70 1.86 -0.15 3.82 -7.23 -0.84 -1.62 120.40 117.94 1ttf s VAL 72 Ca -0.08 -0.97 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1ttf s VAL 72 Cb -0.09 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1ttf s VAL 72 CO -0.14 0.52 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.73 1ttf s TYR 73 N -0.25 2.80 -0.52 2.82 1.51 -1.00 -2.75 117.35 119.96 1ttf s TYR 73 Ca 0.01 -0.90 -0.09 0.00 -1.01 0.00 0.00 57.07 55.08 1ttf s TYR 73 Cb -0.12 -1.89 0.13 0.00 -0.11 0.00 0.00 41.96 39.98 1ttf s TYR 73 CO 0.02 -0.39 0.39 0.00 -1.11 0.00 0.00 175.55 174.45 1ttf s ALA 74 N 0.70 3.46 -0.30 3.71 0.00 -1.26 -2.91 121.76 125.17 1ttf s ALA 74 Ca -0.07 -2.68 -0.24 0.00 0.00 0.00 0.00 51.96 48.97 1ttf s ALA 74 Cb -0.15 -2.85 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 1ttf s ALA 74 CO 0.02 -1.96 0.80 0.08 0.00 0.00 0.00 175.76 174.70 1ttf s VAL 75 N 1.10 4.80 -0.08 0.00 1.01 -0.97 -4.34 120.40 121.92 1ttf s VAL 75 Ca 0.08 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.24 1ttf s VAL 75 Cb -0.24 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1ttf s VAL 75 CO -0.02 -0.23 -0.11 0.35 0.00 0.00 0.00 175.10 175.10 1ttf n THR 76 N 5.50 0.82 0.00 3.92 -2.24 -1.12 -0.34 114.28 120.82 1ttf n THR 76 Ca 0.04 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1ttf n THR 76 Cb 0.48 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttf n GLY 77 N 1.66 -0.91 2.81 3.38 0.00 -1.26 -3.07 105.19 107.80 1ttf n GLY 77 Ca -0.04 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.02 3.07 -0.05 1.61 1.74 -1.26 -0.15 116.66 120.61 1ttf n ARG 78 Ca 0.00 -4.82 -0.04 0.00 -0.77 0.00 0.00 57.85 52.22 1ttf n ARG 78 Cb 0.00 -2.24 -0.09 0.00 -1.02 0.00 0.00 32.46 29.11 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttf n GLY 79 N 0.02 -0.55 2.02 -0.13 0.00 -1.26 -4.92 105.19 100.38 1ttf n GLY 79 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.34 -0.36 -4.69 1.61 2.03 -1.26 -5.12 116.55 106.42 1ttf n ASP 80 Ca -0.16 0.14 -0.28 0.00 0.52 0.00 0.00 54.79 55.01 1ttf n ASP 80 Cb 0.78 0.52 -0.07 0.00 -0.72 0.00 0.00 41.12 41.63 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ttf s SER 81 N -3.86 4.96 0.09 1.67 1.04 -1.26 -5.06 113.70 111.28 1ttf s SER 81 Ca 0.00 -0.28 -0.31 0.00 0.48 0.00 0.00 55.95 55.84 1ttf s SER 81 Cb 0.00 -1.14 -0.10 0.00 0.10 0.00 0.00 66.02 64.89 1ttf s SER 81 CO 0.00 0.12 1.86 -2.16 0.98 0.00 0.00 173.24 174.04 1ttf s PRO 82 N -2.74 4.14 0.48 4.02 0.04 -1.26 -4.21 135.00 135.47 1ttf s PRO 82 Ca 0.27 2.58 0.14 0.00 0.04 0.00 0.00 61.00 64.03 1ttf s PRO 82 Cb -0.10 -3.79 0.76 0.00 0.04 0.00 0.00 34.50 31.41 1ttf s PRO 82 CO 0.19 -0.87 1.35 0.00 0.04 0.00 0.00 177.00 177.71 1ttf h ALA 83 N 9.25 1.42 -0.59 8.56 0.00 -0.92 -3.06 119.26 133.92 1ttf h ALA 83 Ca -0.47 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 53.70 1ttf h ALA 83 Cb 1.22 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1ttf h ALA 83 CO 0.95 -0.42 2.42 -1.13 0.00 0.00 0.00 179.25 181.06 1ttf n SER 84 N -2.33 4.70 0.00 0.00 3.41 -1.26 -2.79 113.62 115.34 1ttf n SER 84 Ca -0.01 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1ttf n SER 84 Cb 0.52 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 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 4.60 0.00 -3.13 4.04 7.64 -1.16 -4.81 113.62 120.79 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 0.37 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.00 0.43 -0.75 1.43 4.81 -1.26 -5.09 118.16 117.72 1ttf n LYS 86 Ca 0.00 -2.76 -0.33 0.00 -0.87 0.00 0.00 58.31 54.35 1ttf n LYS 86 Cb 0.00 -1.51 0.14 0.00 0.02 0.00 0.00 35.03 33.68 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ttf n PRO 87 N 2.47 -0.69 -3.64 1.64 -0.02 -1.26 -4.95 135.00 128.54 1ttf n PRO 87 Ca 0.23 -0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.44 1ttf n PRO 87 Cb 0.52 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1ttf n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ttf s ILE 88 N -2.36 0.07 -0.00 4.25 2.07 -1.11 -5.04 121.20 119.07 1ttf s ILE 88 Ca 0.57 -0.59 -0.09 0.00 -1.41 0.00 0.00 60.65 59.14 1ttf s ILE 88 Cb -0.19 -1.18 0.01 0.00 0.13 0.00 0.00 42.46 41.23 1ttf s ILE 88 CO 0.67 -0.32 0.17 -0.44 -1.91 0.00 0.00 174.94 173.11 1ttf s SER 89 N -2.81 -0.02 0.04 4.50 0.01 -1.26 -1.99 113.70 112.17 1ttf s SER 89 Ca 0.03 -0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.06 1ttf s SER 89 Cb 0.02 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.49 1ttf s SER 89 CO -0.12 -0.37 0.21 0.27 0.41 0.00 0.00 173.24 173.64 1ttf s ILE 90 N -1.30 0.11 0.51 1.44 -4.36 -0.99 -5.02 121.20 111.59 1ttf s ILE 90 Ca -0.14 -0.88 -0.03 0.00 -0.26 0.00 0.00 60.65 59.35 1ttf s ILE 90 Cb -0.07 -0.92 -0.00 0.00 1.25 0.00 0.00 42.46 42.72 1ttf s ILE 90 CO 0.02 -0.48 0.78 0.21 0.24 0.00 0.00 174.94 175.70 1ttf s ASN 91 N -2.10 5.77 -0.29 4.36 3.84 -1.26 -2.53 114.94 122.73 1ttf s ASN 91 Ca -0.05 0.53 -0.16 0.00 0.21 0.00 0.00 52.86 53.39 1ttf s ASN 91 Cb -0.01 -1.67 0.17 0.00 -0.55 0.00 0.00 41.25 39.18 1ttf s ASN 91 CO -0.04 -0.84 1.07 -0.47 -2.79 0.00 0.00 177.10 174.03 1ttf s TYR 92 N -2.75 -0.41 -0.42 0.43 6.14 0.69 -4.96 117.35 116.06 1ttf s TYR 92 Ca 0.50 0.82 -0.22 0.00 0.64 0.00 0.00 57.07 58.82 1ttf s TYR 92 Cb -0.10 0.25 0.02 0.00 0.42 0.00 0.00 41.96 42.55 1ttf s TYR 92 CO 0.42 -0.21 0.69 -0.98 0.64 0.00 0.00 175.55 176.11 1ttf s ARG 93 N 1.28 3.41 0.00 4.97 3.03 -1.26 -0.53 118.95 129.85 1ttf s ARG 93 Ca -0.09 -0.18 0.08 0.00 2.03 0.00 0.00 55.73 57.58 1ttf s ARG 93 Cb -0.03 -3.92 0.07 0.00 -1.03 0.00 0.00 34.95 30.04 1ttf s ARG 93 CO -0.13 -0.99 0.77 2.41 -1.13 0.00 0.00 175.30 176.22