#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 0.54 -0.10 -1.34 0.01 -1.26 -5.01 113.70 106.54 1ttf s SER 2 Ca 0.00 0.16 0.24 0.00 1.31 0.00 0.00 55.95 57.66 1ttf s SER 2 Cb 0.00 0.90 0.45 0.00 0.21 0.00 0.00 66.02 67.58 1ttf s SER 2 CO 0.00 -0.30 1.15 -0.67 0.41 0.00 0.00 173.24 173.83 1ttf n ASP 3 N 5.35 1.10 -4.70 2.44 2.03 -1.26 -5.07 116.55 116.44 1ttf n ASP 3 Ca -0.04 -2.01 -0.38 0.00 0.52 0.00 0.00 54.79 52.87 1ttf n ASP 3 Cb 0.50 -0.33 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ttf s VAL 4 N -1.42 5.18 1.24 5.18 1.01 -1.26 -5.03 120.40 125.30 1ttf s VAL 4 Ca 0.30 0.86 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 1ttf s VAL 4 Cb 0.35 -3.79 0.31 0.00 0.00 0.00 0.00 36.38 33.26 1ttf s VAL 4 CO -0.12 0.28 1.00 -2.16 0.00 0.00 0.00 175.10 174.10 1ttf s PRO 5 N 1.00 -1.52 0.01 2.72 0.04 -1.26 -5.01 135.00 130.98 1ttf s PRO 5 Ca 0.23 0.63 -0.24 0.00 0.04 0.00 0.00 61.00 61.65 1ttf s PRO 5 Cb -0.15 -1.50 0.08 0.00 0.04 0.00 0.00 34.50 32.97 1ttf s PRO 5 CO 0.09 -4.06 1.10 2.89 0.04 0.00 0.00 177.00 177.06 1ttf n ARG 6 N -5.13 0.22 -1.45 4.56 1.85 -1.26 -4.98 116.66 110.47 1ttf n ARG 6 Ca 0.05 -0.78 -0.16 0.00 -1.00 0.00 0.00 57.85 55.97 1ttf n ARG 6 Cb 0.56 1.23 -0.07 0.00 -1.05 0.00 0.00 32.46 33.13 1ttf n ARG 6 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1ttf n ASP 7 N -1.01 -4.88 -4.57 2.89 -0.08 -1.26 -0.09 116.55 107.54 1ttf n ASP 7 Ca 0.03 0.38 -0.43 0.00 -1.51 0.00 0.00 54.79 53.27 1ttf n ASP 7 Cb 0.51 -3.75 -0.03 0.00 2.34 0.00 0.00 41.12 40.19 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1ttf s LEU 8 N -3.54 3.66 0.34 -2.67 1.02 -1.25 -3.99 118.68 112.25 1ttf s LEU 8 Ca 0.00 0.06 -0.11 0.00 0.02 0.00 0.00 54.13 54.10 1ttf s LEU 8 Cb 0.00 -3.15 0.02 0.00 0.02 0.00 0.00 46.19 43.09 1ttf s LEU 8 CO 0.00 -1.36 0.62 -1.83 0.02 0.00 0.00 176.35 173.80 1ttf s GLU 9 N 4.57 1.96 -0.10 1.70 -1.05 -0.99 -4.99 118.70 119.80 1ttf s GLU 9 Ca 0.40 -1.47 -0.16 0.00 -0.15 0.00 0.00 54.97 53.60 1ttf s GLU 9 Cb -0.09 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.09 1ttf s GLU 9 CO 0.25 -0.87 0.39 0.08 0.95 0.00 0.00 175.26 176.07 1ttf s VAL 10 N -3.02 5.19 -0.88 1.83 1.01 -1.26 -2.50 120.40 120.76 1ttf s VAL 10 Ca 0.21 0.78 0.09 0.00 0.00 0.00 0.00 61.98 63.07 1ttf s VAL 10 Cb -0.03 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ttf s VAL 10 CO 0.14 0.42 0.62 0.52 0.00 0.00 0.00 175.10 176.80 1ttf n VAL 11 N 3.10 0.00 -3.62 2.92 0.31 -1.02 -5.02 118.33 115.01 1ttf n VAL 11 Ca -0.11 -0.41 -0.08 0.00 -0.01 0.00 0.00 64.34 63.73 1ttf n VAL 11 Cb 0.52 1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 34.51 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf s ALA 12 N -1.27 -2.01 -0.27 3.52 0.00 -1.25 -5.01 121.76 115.48 1ttf s ALA 12 Ca 0.08 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.75 1ttf s ALA 12 Cb 0.08 -1.21 0.11 0.00 0.00 0.00 0.00 23.12 22.10 1ttf s ALA 12 CO 0.23 -0.25 0.21 0.00 0.00 0.00 0.00 175.76 175.96 1ttf s ALA 13 N -0.44 0.00 0.16 0.00 0.00 -1.26 -2.02 121.76 118.20 1ttf s ALA 13 Ca 0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1ttf s ALA 13 Cb -0.03 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1ttf s ALA 13 CO -0.05 -1.58 0.35 0.95 0.00 0.00 0.00 175.76 175.43 1ttf s THR 14 N 2.25 5.23 -1.54 0.00 -4.23 0.11 -4.94 115.64 112.53 1ttf s THR 14 Ca 0.08 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1ttf s THR 14 Cb -0.15 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1ttf s THR 14 CO -0.30 -0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 172.92 1ttf n PRO 15 N -0.28 0.00 -0.58 3.99 -0.04 -1.26 -1.48 135.00 135.35 1ttf n PRO 15 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 1ttf n PRO 15 Cb 0.53 -0.99 -0.01 0.00 -0.04 0.00 0.00 33.50 32.98 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ttf n THR 16 N -0.08 0.00 0.00 0.52 -1.04 -1.26 -5.04 114.28 107.38 1ttf n THR 16 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ttf n THR 16 Cb 0.00 0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1ttf n THR 16 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ttf n SER 17 N 0.00 0.00 -4.33 8.00 3.41 -0.55 -4.68 113.62 115.48 1ttf n SER 17 Ca -0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.37 1ttf n SER 17 Cb 0.54 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1ttf n SER 17 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ttf s LEU 18 N 0.00 2.50 -0.17 1.04 2.96 0.72 0.08 118.68 125.81 1ttf s LEU 18 Ca 0.00 -0.94 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 1ttf s LEU 18 Cb 0.00 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 46.01 1ttf s LEU 18 CO 0.00 -0.12 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.60 1ttf s LEU 19 N -2.99 1.79 0.12 -0.68 0.20 -0.85 -1.22 118.68 115.04 1ttf s LEU 19 Ca 0.19 -0.65 0.04 0.00 0.69 0.00 0.00 54.13 54.40 1ttf s LEU 19 Cb -0.03 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 1ttf s LEU 19 CO 0.06 -0.14 0.09 0.27 -0.29 0.00 0.00 176.35 176.35 1ttf s ILE 20 N 1.54 4.45 -0.16 6.68 -4.36 -0.99 -2.44 121.20 125.90 1ttf s ILE 20 Ca 0.02 -0.94 -0.07 0.00 -0.26 0.00 0.00 60.65 59.39 1ttf s ILE 20 Cb -0.15 -3.20 0.07 0.00 1.25 0.00 0.00 42.46 40.43 1ttf s ILE 20 CO -0.09 0.02 0.37 -0.44 0.24 0.00 0.00 174.94 175.04 1ttf s SER 21 N -2.71 -0.24 0.00 4.36 0.01 -1.04 -2.40 113.70 111.68 1ttf s SER 21 Ca 0.30 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1ttf s SER 21 Cb -0.11 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.03 1ttf s SER 21 CO 0.22 -0.21 0.00 -2.67 0.41 0.00 0.00 173.24 170.99 1ttf n TRP 22 N 4.84 0.00 -3.32 2.43 2.14 -0.71 -2.35 117.44 120.48 1ttf n TRP 22 Ca -0.15 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.21 1ttf n TRP 22 Cb 0.52 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 31.03 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 0.25 5.17 -0.29 -0.67 2.15 0.87 -4.74 116.67 119.40 1ttf s ASP 23 Ca 0.00 -0.75 0.01 0.00 0.43 0.00 0.00 52.55 52.24 1ttf s ASP 23 Cb 0.00 -0.23 0.19 0.00 -0.30 0.00 0.00 42.92 42.58 1ttf s ASP 23 CO 0.00 -0.93 0.57 0.00 -0.17 0.00 0.00 175.17 174.64 1ttf s ALA 24 N -2.53 -2.15 0.96 3.66 0.00 -1.26 -4.71 121.76 115.72 1ttf s ALA 24 Ca 0.52 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.85 1ttf s ALA 24 Cb -0.06 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.85 1ttf s ALA 24 CO 0.31 -1.52 0.08 -2.30 0.00 0.00 0.00 175.76 172.33 1ttf n PRO 25 N 5.42 -1.91 0.00 0.00 -0.02 -1.26 -4.95 135.00 132.28 1ttf n PRO 25 Ca 0.01 -0.14 0.08 0.00 -2.02 0.00 0.00 63.50 61.43 1ttf n PRO 25 Cb 0.52 -0.20 0.02 0.00 -0.02 0.00 0.00 33.50 33.82 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ttf n ALA 26 N -3.02 2.99 -0.75 3.55 0.00 -1.26 -4.95 120.51 117.06 1ttf n ALA 26 Ca -0.02 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.53 1ttf n ALA 26 Cb 0.06 -0.58 0.15 0.00 0.00 0.00 0.00 19.45 19.08 1ttf n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ttf n VAL 27 N 0.21 0.25 -1.54 0.00 0.31 -1.26 -4.64 118.33 111.66 1ttf n VAL 27 Ca 0.08 -0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 1ttf n VAL 27 Cb 0.37 -0.94 -0.11 0.00 -0.91 0.00 0.00 33.84 32.26 1ttf n VAL 27 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ttf n THR 28 N -3.99 0.00 -3.21 2.52 -2.24 -1.26 -4.85 114.28 101.25 1ttf n THR 28 Ca 0.11 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 61.02 1ttf n THR 28 Cb 0.52 -1.49 -0.07 0.00 -2.10 0.00 0.00 70.33 67.19 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 11.31 5.04 -0.02 2.28 1.01 -1.26 -4.65 120.40 134.10 1ttf s VAL 29 Ca 0.99 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 63.84 1ttf s VAL 29 Cb -0.29 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 1ttf s VAL 29 CO 0.20 0.03 0.01 0.03 0.00 0.00 0.00 175.10 175.37 1ttf h ARG 30 N 8.06 -0.00 -3.32 2.72 2.47 -1.69 -3.46 114.38 119.16 1ttf h ARG 30 Ca -0.28 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.34 1ttf h ARG 30 Cb 1.13 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.28 1ttf h ARG 30 CO 0.74 -0.00 -0.28 0.71 0.56 0.00 0.00 179.97 181.70 1ttf s TYR 31 N -1.14 -0.08 0.34 3.04 2.02 -1.08 -4.34 117.35 116.11 1ttf s TYR 31 Ca -0.00 -0.04 0.08 0.00 -0.37 0.00 0.00 57.07 56.74 1ttf s TYR 31 Cb 0.00 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.60 1ttf s TYR 31 CO 0.00 -0.48 0.18 0.71 -1.57 0.00 0.00 175.55 174.40 1ttf s TYR 32 N -2.43 2.75 -0.21 2.71 1.51 0.16 -2.32 117.35 119.51 1ttf s TYR 32 Ca -0.06 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1ttf s TYR 32 Cb -0.01 -1.71 0.10 0.00 -0.11 0.00 0.00 41.96 40.23 1ttf s TYR 32 CO -0.03 0.28 0.26 0.50 -1.11 0.00 0.00 175.55 175.46 1ttf s ARG 33 N -3.89 0.23 -0.30 -0.62 3.52 -0.54 -2.05 118.95 115.30 1ttf s ARG 33 Ca 0.39 0.33 -0.10 0.00 -0.13 0.00 0.00 55.73 56.22 1ttf s ARG 33 Cb -0.03 -0.93 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 1ttf s ARG 33 CO 0.24 -0.62 0.16 0.42 -0.81 0.00 0.00 175.30 174.69 1ttf s ILE 34 N 2.39 4.87 -0.06 4.11 1.09 -0.83 -0.05 121.20 132.72 1ttf s ILE 34 Ca 0.08 -0.18 0.05 0.00 -1.10 0.00 0.00 60.65 59.51 1ttf s ILE 34 Cb -0.15 -3.41 -0.01 0.00 -1.06 0.00 0.00 42.46 37.83 1ttf s ILE 34 CO -0.13 0.15 -0.23 0.42 -0.10 0.00 0.00 174.94 175.05 1ttf s THR 35 N 1.67 2.20 0.18 2.92 -4.23 0.66 -2.14 115.64 116.91 1ttf s THR 35 Ca 0.06 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.64 1ttf s THR 35 Cb -0.16 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 1ttf s THR 35 CO 0.08 0.57 -0.18 -0.72 -0.54 0.00 0.00 174.62 173.83 1ttf s TYR 36 N -0.16 1.87 0.00 3.99 1.13 -0.63 -0.79 117.35 122.76 1ttf s TYR 36 Ca -0.03 -0.47 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 1ttf s TYR 36 Cb -0.14 -0.91 0.00 0.00 -1.10 0.00 0.00 41.96 39.81 1ttf s TYR 36 CO 0.04 0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.87 1ttf n GLY 37 N 0.09 1.09 3.77 5.49 0.00 -0.97 -1.94 105.19 112.73 1ttf n GLY 37 Ca -0.11 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1ttf n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ttf s GLU 38 N -0.05 4.38 0.73 1.61 4.04 -1.26 -2.18 118.70 125.97 1ttf s GLU 38 Ca 0.00 1.59 -0.14 0.00 0.04 0.00 0.00 54.97 56.46 1ttf s GLU 38 Cb 0.00 -2.80 0.04 0.00 0.02 0.00 0.00 34.13 31.39 1ttf s GLU 38 CO 0.00 0.03 1.16 0.99 -1.84 0.00 0.00 175.26 175.60 1ttf s THR 39 N -1.48 2.67 0.00 1.83 2.01 -1.26 -4.71 115.64 114.71 1ttf s THR 39 Ca 0.52 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.82 1ttf s THR 39 Cb -0.25 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ttf s THR 39 CO 0.32 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1ttf n GLY 40 N -0.06 -0.38 3.91 4.40 0.00 -1.26 -4.85 105.19 106.94 1ttf n GLY 40 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.55 0.00 -0.02 0.00 -1.26 -4.86 105.19 99.61 1ttf n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ttf n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ttf n ASN 42 N 0.00 0.00 -3.59 1.61 3.02 -1.26 -5.04 115.26 109.99 1ttf n ASN 42 Ca 0.00 0.05 -0.06 0.00 -0.03 0.00 0.00 54.58 54.53 1ttf n ASN 42 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ttf s SER 43 N -1.73 -0.29 0.65 6.41 1.04 -1.26 -5.16 113.70 113.35 1ttf s SER 43 Ca 0.00 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 1ttf s SER 43 Cb 0.00 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1ttf s SER 43 CO 0.00 -0.71 1.20 -2.16 0.98 0.00 0.00 173.24 172.55 1ttf s PRO 44 N -3.16 2.66 -0.09 4.02 0.04 -1.26 -4.69 135.00 132.52 1ttf s PRO 44 Ca 0.08 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 1ttf s PRO 44 Cb -0.01 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1ttf s PRO 44 CO -0.05 -1.43 -0.03 0.28 0.04 0.00 0.00 177.00 175.80 1ttf h VAL 45 N 0.40 0.00 -2.18 -0.36 2.07 -1.73 -3.49 116.25 110.96 1ttf h VAL 45 Ca -0.49 -0.87 0.28 0.00 0.82 0.00 0.00 66.70 66.44 1ttf h VAL 45 Cb 1.29 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1ttf h VAL 45 CO 0.53 0.00 0.77 -1.58 0.02 0.00 0.00 177.57 177.31 1ttf s GLN 46 N -1.59 0.73 0.08 1.57 2.00 -1.10 -5.04 119.66 116.30 1ttf s GLN 46 Ca -0.03 -0.46 -0.27 0.00 -2.00 0.00 0.00 55.36 52.61 1ttf s GLN 46 Cb 0.00 0.21 0.08 0.00 0.80 0.00 0.00 33.01 34.10 1ttf s GLN 46 CO 0.04 -0.34 0.95 -1.83 -0.50 0.00 0.00 175.29 173.61 1ttf s GLU 47 N -2.16 1.01 0.06 1.67 -1.05 -1.26 -1.60 118.70 115.37 1ttf s GLU 47 Ca 0.24 -0.50 -0.26 0.00 -0.15 0.00 0.00 54.97 54.30 1ttf s GLU 47 Cb -0.01 0.38 0.08 0.00 -0.44 0.00 0.00 34.13 34.15 1ttf s GLU 47 CO 0.01 -0.45 0.70 -0.59 0.95 0.00 0.00 175.26 175.88 1ttf s PHE 48 N -3.17 -0.51 0.35 4.83 -0.12 -0.91 -5.00 117.98 113.44 1ttf s PHE 48 Ca 0.10 0.48 0.07 0.00 -0.05 0.00 0.00 56.93 57.52 1ttf s PHE 48 Cb -0.01 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1ttf s PHE 48 CO -0.02 -0.71 0.41 0.95 -0.05 0.00 0.00 175.22 175.80 1ttf s THR 49 N -2.96 3.66 -0.07 -4.49 -4.23 -1.26 -1.96 115.64 104.33 1ttf s THR 49 Ca -0.01 -1.15 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1ttf s THR 49 Cb -0.01 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.62 1ttf s THR 49 CO -0.07 -0.13 0.46 -0.69 -0.54 0.00 0.00 174.62 173.65 1ttf s VAL 50 N -2.26 0.03 -1.19 2.29 1.01 -0.87 -4.97 120.40 114.44 1ttf s VAL 50 Ca 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1ttf s VAL 50 Cb -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1ttf s VAL 50 CO 0.29 -0.11 0.00 -0.81 0.00 0.00 0.00 175.10 174.47 1ttf n PRO 51 N 1.63 0.00 -0.44 2.72 -0.04 -1.26 -0.66 135.00 136.95 1ttf n PRO 51 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1ttf n PRO 51 Cb 0.56 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 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 0.30 0.18 0.12 0.55 0.00 -1.26 -4.70 105.19 100.37 1ttf n GLY 52 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.54 -2.82 1.61 0.02 -1.92 -3.42 113.55 107.56 1ttf h SER 53 Ca 0.00 -0.93 -0.55 0.00 -0.84 0.00 0.00 61.79 59.47 1ttf h SER 53 Cb 0.00 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.30 1ttf h SER 53 CO 0.00 1.50 1.08 -0.75 -1.14 0.00 0.00 176.83 177.52 1ttf s LYS 54 N -2.47 3.32 0.00 3.45 2.47 -1.26 -4.82 119.74 120.42 1ttf s LYS 54 Ca -0.14 0.33 0.06 0.00 -1.56 0.00 0.00 55.97 54.66 1ttf s LYS 54 Cb 0.02 -4.11 0.34 0.00 -1.46 0.00 0.00 37.83 32.62 1ttf s LYS 54 CO 0.85 -1.93 1.18 0.43 0.16 0.00 0.00 175.35 176.04 1ttf n SER 55 N 9.38 0.00 -4.13 1.43 7.64 -1.26 -4.77 113.62 121.91 1ttf n SER 55 Ca 0.11 -1.75 -0.09 0.00 1.01 0.00 0.00 58.87 58.15 1ttf n SER 55 Cb 0.49 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 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 -2.00 0.50 -0.23 0.44 -4.23 -1.26 -1.73 115.64 107.13 1ttf s THR 56 Ca 0.09 -1.85 -0.27 0.00 -1.18 0.00 0.00 61.69 58.47 1ttf s THR 56 Cb 0.04 -1.57 0.13 0.00 1.34 0.00 0.00 72.50 72.43 1ttf s THR 56 CO 0.07 -0.91 1.02 0.00 -0.54 0.00 0.00 174.62 174.26 1ttf s ALA 57 N -3.66 -1.96 0.08 3.99 0.00 -1.01 -5.03 121.76 114.17 1ttf s ALA 57 Ca 0.09 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.71 1ttf s ALA 57 Cb 0.06 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1ttf s ALA 57 CO -0.07 -0.27 0.36 0.99 0.00 0.00 0.00 175.76 176.78 1ttf s THR 58 N -0.38 5.16 0.00 0.00 2.01 -1.26 -2.35 115.64 118.82 1ttf s THR 58 Ca 0.01 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 1ttf s THR 58 Cb -0.03 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1ttf s THR 58 CO -0.03 0.24 0.02 -0.51 -0.69 0.00 0.00 174.62 173.65 1ttf s ILE 59 N -1.45 0.06 0.18 1.82 2.07 -0.35 -4.98 121.20 118.54 1ttf s ILE 59 Ca 0.34 -0.46 -0.05 0.00 -1.41 0.00 0.00 60.65 59.07 1ttf s ILE 59 Cb -0.13 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 1ttf s ILE 59 CO 0.19 -0.25 0.22 -0.55 -1.91 0.00 0.00 174.94 172.64 1ttf s SER 60 N -0.76 0.11 0.00 4.50 0.15 -1.26 -0.20 113.70 116.24 1ttf s SER 60 Ca -0.08 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1ttf s SER 60 Cb -0.05 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1ttf s SER 60 CO -0.00 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.17 1ttf n GLY 61 N -0.23 0.62 0.00 9.45 0.00 -1.26 -5.02 105.19 108.74 1ttf n GLY 61 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -3.94 0.99 -0.00 -1.26 -5.09 117.00 107.70 1ttf n LEU 62 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1ttf n LEU 62 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1ttf n LEU 62 CO 0.00 0.00 -0.19 -0.54 -0.00 0.00 0.00 177.39 176.66 1ttf s LYS 63 N 1.36 0.73 -0.32 1.47 1.02 -1.26 -5.10 119.74 117.63 1ttf s LYS 63 Ca 0.00 -0.99 -0.27 0.00 0.02 0.00 0.00 55.97 54.72 1ttf s LYS 63 Cb 0.00 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.54 1ttf s LYS 63 CO 0.00 -0.20 2.26 -1.25 -0.92 0.00 0.00 175.35 175.24 1ttf s PRO 64 N -3.63 2.78 -0.28 -1.68 0.04 -1.26 -3.84 135.00 127.13 1ttf s PRO 64 Ca 0.04 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 1ttf s PRO 64 Cb 0.05 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1ttf s PRO 64 CO -0.09 -2.51 0.04 0.41 0.04 0.00 0.00 177.00 174.89 1ttf n GLY 65 N 5.83 -3.90 3.24 0.56 0.00 -1.12 -5.06 105.19 104.73 1ttf n GLY 65 Ca 0.32 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.49 -0.01 -0.04 1.61 0.11 0.85 -4.97 120.40 116.46 1ttf s VAL 66 Ca 0.02 0.04 -0.36 0.00 -2.93 0.00 0.00 61.98 58.75 1ttf s VAL 66 Cb -0.00 -0.53 -0.14 0.00 -1.53 0.00 0.00 36.38 34.18 1ttf s VAL 66 CO 0.68 0.01 1.70 -0.67 -3.33 0.00 0.00 175.10 173.50 1ttf n ASP 67 N 3.34 2.89 -4.00 3.54 -0.08 -1.26 -2.39 116.55 118.58 1ttf n ASP 67 Ca -0.17 1.04 -0.26 0.00 -1.51 0.00 0.00 54.79 53.90 1ttf n ASP 67 Cb 0.57 -1.31 -0.17 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 2.65 1.55 -0.34 -0.67 1.51 -0.57 -3.99 117.35 117.49 1ttf s TYR 68 Ca 0.89 -0.65 -0.08 0.00 -1.01 0.00 0.00 57.07 56.22 1ttf s TYR 68 Cb -0.80 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1ttf s TYR 68 CO 0.50 -0.37 0.13 0.99 -1.11 0.00 0.00 175.55 175.70 1ttf s THR 69 N 0.97 4.05 -0.08 -0.71 2.01 -0.93 -1.39 115.64 119.55 1ttf s THR 69 Ca -0.09 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 1ttf s THR 69 Cb -0.15 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1ttf s THR 69 CO -0.00 -0.15 0.29 -0.51 -0.69 0.00 0.00 174.62 173.56 1ttf s ILE 70 N 1.46 5.25 -0.00 1.82 1.10 -0.93 -2.28 121.20 127.62 1ttf s ILE 70 Ca 0.00 0.56 0.01 0.00 -0.51 0.00 0.00 60.65 60.71 1ttf s ILE 70 Cb -0.19 -3.59 0.00 0.00 0.15 0.00 0.00 42.46 38.83 1ttf s ILE 70 CO 0.04 0.54 -0.02 -0.89 -2.11 0.00 0.00 174.94 172.50 1ttf s THR 71 N -0.65 0.17 -0.02 4.00 2.01 0.03 -1.65 115.64 119.52 1ttf s THR 71 Ca 0.19 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.17 1ttf s THR 71 Cb -0.14 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 1ttf s THR 71 CO 0.08 0.06 -0.19 0.54 -0.69 0.00 0.00 174.62 174.42 1ttf s VAL 72 N 0.04 1.49 -0.24 3.82 0.11 -0.92 -0.24 120.40 124.46 1ttf s VAL 72 Ca -0.00 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1ttf s VAL 72 Cb -0.02 -1.25 0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1ttf s VAL 72 CO -0.00 0.42 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.76 1ttf s TYR 73 N -0.35 3.09 -0.18 1.54 1.51 0.93 -2.77 117.35 121.13 1ttf s TYR 73 Ca 0.05 -1.94 -0.19 0.00 -1.01 0.00 0.00 57.07 53.98 1ttf s TYR 73 Cb -0.08 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 1ttf s TYR 73 CO -0.00 -0.82 0.54 0.00 -1.11 0.00 0.00 175.55 174.15 1ttf s ALA 74 N 1.21 3.52 -0.32 3.71 0.00 -1.26 -1.47 121.76 127.14 1ttf s ALA 74 Ca -0.03 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1ttf s ALA 74 Cb -0.17 -2.81 0.10 0.00 0.00 0.00 0.00 23.12 20.23 1ttf s ALA 74 CO -0.07 -0.35 0.05 0.08 0.00 0.00 0.00 175.76 175.47 1ttf s VAL 75 N 1.43 1.93 -0.20 0.00 1.01 -0.98 -4.28 120.40 119.31 1ttf s VAL 75 Ca 0.26 -2.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 1ttf s VAL 75 Cb -0.16 -2.40 -0.21 0.00 0.00 0.00 0.00 36.38 33.61 1ttf s VAL 75 CO 0.10 -0.57 0.03 0.35 0.00 0.00 0.00 175.10 175.01 1ttf n THR 76 N 4.41 1.62 -2.57 3.92 -2.24 -1.26 -2.64 114.28 115.52 1ttf n THR 76 Ca 0.01 -0.60 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 1ttf n THR 76 Cb 0.42 -1.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.07 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 2.13 -3.22 3.63 3.38 0.00 -1.26 -4.17 105.19 105.68 1ttf n GLY 77 Ca -0.40 0.68 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 1ttf n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ttf s ARG 78 N -0.37 2.42 5.30 1.61 3.52 -1.26 -4.90 118.95 125.26 1ttf s ARG 78 Ca -0.11 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 1ttf s ARG 78 Cb 0.01 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 1ttf s ARG 78 CO 0.29 0.55 0.00 0.41 -0.81 0.00 0.00 175.30 175.73 1ttf n GLY 79 N 0.87 1.58 1.90 8.12 0.00 -1.26 -4.32 105.19 112.08 1ttf n GLY 79 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 9.41 0.00 -4.76 1.61 2.03 -1.26 -5.11 116.55 118.48 1ttf n ASP 80 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1ttf n ASP 80 Cb 0.00 0.22 0.03 0.00 -0.72 0.00 0.00 41.12 40.65 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ttf s SER 81 N -3.50 5.50 0.01 1.67 0.15 -1.26 -4.88 113.70 111.39 1ttf s SER 81 Ca 0.00 2.66 -0.30 0.00 0.70 0.00 0.00 55.95 59.01 1ttf s SER 81 Cb 0.00 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 1ttf s SER 81 CO 0.00 -1.40 1.93 -2.16 1.20 0.00 0.00 173.24 172.81 1ttf s PRO 82 N -2.84 4.11 -0.54 5.44 0.04 -1.26 -4.61 135.00 135.33 1ttf s PRO 82 Ca 0.69 2.53 0.04 0.00 0.04 0.00 0.00 61.00 64.30 1ttf s PRO 82 Cb -0.38 -4.15 0.17 0.00 0.04 0.00 0.00 34.50 30.18 1ttf s PRO 82 CO 0.45 -0.98 0.40 0.00 0.04 0.00 0.00 177.00 176.91 1ttf s ALA 83 N 4.55 2.51 0.56 8.56 0.00 -1.26 -5.07 121.76 131.60 1ttf s ALA 83 Ca 0.87 -3.07 -0.21 0.00 0.00 0.00 0.00 51.96 49.55 1ttf s ALA 83 Cb -0.41 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1ttf s ALA 83 CO 0.40 -2.03 1.27 0.45 0.00 0.00 0.00 175.76 175.84 1ttf s SER 84 N -0.58 5.32 0.00 0.00 0.15 -1.26 -4.38 113.70 112.95 1ttf s SER 84 Ca 0.28 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.47 1ttf s SER 84 Cb -0.02 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1ttf s SER 84 CO -0.17 -1.51 0.00 -1.20 1.20 0.00 0.00 173.24 171.56 1ttf n SER 85 N -1.22 0.00 -2.96 5.45 7.64 -1.26 -5.02 113.62 116.24 1ttf n SER 85 Ca 0.12 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.91 1ttf n SER 85 Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1ttf n SER 85 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1ttf s LYS 86 N 0.24 0.99 0.97 1.43 -2.85 -1.26 -5.15 119.74 114.12 1ttf s LYS 86 Ca 0.00 -1.14 -0.13 0.00 -1.00 0.00 0.00 55.97 53.70 1ttf s LYS 86 Cb 0.00 -0.31 0.07 0.00 -2.06 0.00 0.00 37.83 35.53 1ttf s LYS 86 CO 0.00 -1.32 0.48 -2.30 0.10 0.00 0.00 175.35 172.31 1ttf n PRO 87 N 3.18 -0.54 -3.75 1.78 -0.02 -1.26 -4.92 135.00 129.48 1ttf n PRO 87 Ca 0.19 -0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 1ttf n PRO 87 Cb 0.54 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 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 -2.41 0.06 0.07 4.25 1.10 -1.11 -5.06 121.20 118.10 1ttf s ILE 88 Ca 0.58 -0.84 -0.10 0.00 -0.51 0.00 0.00 60.65 59.78 1ttf s ILE 88 Cb -0.20 -1.42 0.01 0.00 0.15 0.00 0.00 42.46 40.99 1ttf s ILE 88 CO 0.66 -0.29 0.22 -0.94 -2.11 0.00 0.00 174.94 172.48 1ttf s SER 89 N -2.86 0.04 -0.03 4.50 1.04 -1.26 -2.17 113.70 112.95 1ttf s SER 89 Ca 0.07 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 1ttf s SER 89 Cb 0.02 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1ttf s SER 89 CO -0.07 -0.67 0.14 0.27 0.98 0.00 0.00 173.24 173.89 1ttf s ILE 90 N -3.27 0.03 0.17 -1.02 -4.36 -0.66 -5.02 121.20 107.07 1ttf s ILE 90 Ca 0.00 -0.25 -0.07 0.00 -0.26 0.00 0.00 60.65 60.07 1ttf s ILE 90 Cb 0.02 -0.28 -0.06 0.00 1.25 0.00 0.00 42.46 43.38 1ttf s ILE 90 CO -0.08 -0.14 0.44 0.21 0.24 0.00 0.00 174.94 175.61 1ttf s ASN 91 N -0.44 6.55 -0.29 4.36 2.47 -1.26 -2.20 114.94 124.12 1ttf s ASN 91 Ca -0.05 0.72 -0.19 0.00 0.42 0.00 0.00 52.86 53.76 1ttf s ASN 91 Cb -0.03 -2.14 0.16 0.00 -1.45 0.00 0.00 41.25 37.78 1ttf s ASN 91 CO 0.01 0.01 1.10 -0.47 -3.72 0.00 0.00 177.10 174.03 1ttf s TYR 92 N -1.70 -0.38 -0.18 0.43 5.04 -0.49 -4.98 117.35 115.08 1ttf s TYR 92 Ca 0.43 0.80 -0.27 0.00 -2.44 0.00 0.00 57.07 55.60 1ttf s TYR 92 Cb -0.12 0.30 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 1ttf s TYR 92 CO 0.23 -0.19 0.91 -0.98 -1.34 0.00 0.00 175.55 174.18 1ttf s ARG 93 N 0.92 4.30 0.00 4.97 1.70 -1.26 -1.51 118.95 128.08 1ttf s ARG 93 Ca -0.05 1.16 0.00 0.00 -0.47 0.00 0.00 55.73 56.37 1ttf s ARG 93 Cb -0.04 -3.59 0.00 0.00 -0.57 0.00 0.00 34.95 30.75 1ttf s ARG 93 CO -0.12 -0.41 0.48 2.41 -1.08 0.00 0.00 175.30 176.57