#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 6.93 0.00 -1.34 0.15 -1.26 -4.92 113.70 113.26 1ttf s SER 2 Ca 0.00 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1ttf s SER 2 Cb 0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1ttf s SER 2 CO 0.00 -0.25 0.00 -0.67 1.20 0.00 0.00 173.24 173.52 1ttf n ASP 3 N -0.34 0.00 -4.70 5.45 2.03 -1.26 -4.94 116.55 112.79 1ttf n ASP 3 Ca 0.05 -0.49 -0.42 0.00 0.52 0.00 0.00 54.79 54.44 1ttf n ASP 3 Cb 0.53 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.00 0.23 -0.40 5.18 0.31 -1.26 -4.71 118.33 117.68 1ttf n VAL 4 Ca 0.00 -0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 64.02 1ttf n VAL 4 Cb 0.12 -2.08 0.24 0.00 -0.91 0.00 0.00 33.84 31.21 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 5.02 -3.43 -1.29 5.55 -0.02 -1.26 -4.97 135.00 134.60 1ttf n PRO 5 Ca 0.17 -1.01 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 1ttf n PRO 5 Cb 0.36 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1ttf n PRO 5 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ttf n ARG 6 N -4.19 0.00 -3.76 -0.52 1.85 -1.26 -4.99 116.66 103.79 1ttf n ARG 6 Ca 0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.64 1ttf n ARG 6 Cb 0.53 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.94 1ttf n ARG 6 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ttf n ASP 7 N -0.32 -4.30 -4.68 2.89 8.00 -1.26 -2.61 116.55 114.27 1ttf n ASP 7 Ca 0.00 -0.68 -0.39 0.00 0.71 0.00 0.00 54.79 54.43 1ttf n ASP 7 Cb 0.00 -3.48 -0.06 0.00 -0.02 0.00 0.00 41.12 37.56 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ttf s LEU 8 N -7.01 4.21 -0.00 0.64 1.43 -1.26 -3.92 118.68 112.76 1ttf s LEU 8 Ca 0.59 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 54.28 1ttf s LEU 8 Cb -0.30 -2.87 0.11 0.00 0.03 0.00 0.00 46.19 43.16 1ttf s LEU 8 CO 0.72 -0.17 1.27 -1.83 0.23 0.00 0.00 176.35 176.56 1ttf s GLU 9 N 1.39 0.45 -0.14 1.70 -1.05 -1.02 -5.04 118.70 115.01 1ttf s GLU 9 Ca 0.29 -0.27 -0.11 0.00 -0.15 0.00 0.00 54.97 54.73 1ttf s GLU 9 Cb -0.16 0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.63 1ttf s GLU 9 CO 0.12 -0.21 0.23 0.08 0.95 0.00 0.00 175.26 176.43 1ttf s VAL 10 N -2.32 5.34 -0.15 1.83 1.01 -1.26 -2.65 120.40 122.19 1ttf s VAL 10 Ca 0.18 0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 1ttf s VAL 10 Cb 0.03 -3.55 -0.24 0.00 0.00 0.00 0.00 36.38 32.63 1ttf s VAL 10 CO -0.02 0.49 0.22 0.52 0.00 0.00 0.00 175.10 176.30 1ttf n VAL 11 N 2.91 1.70 -3.67 2.92 0.31 -0.89 -5.00 118.33 116.60 1ttf n VAL 11 Ca -0.15 -0.64 -0.07 0.00 -0.01 0.00 0.00 64.34 63.47 1ttf n VAL 11 Cb 0.53 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.55 -1.59 -0.44 3.52 0.00 -1.24 -5.04 121.76 114.42 1ttf s ALA 12 Ca -0.25 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1ttf s ALA 12 Cb 0.07 0.67 0.17 0.00 0.00 0.00 0.00 23.12 24.04 1ttf s ALA 12 CO 0.73 -0.93 0.48 0.00 0.00 0.00 0.00 175.76 176.04 1ttf s ALA 13 N -3.45 -0.22 0.85 0.00 0.00 -1.26 -2.31 121.76 115.37 1ttf s ALA 13 Ca 0.09 -1.41 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 1ttf s ALA 13 Cb -0.02 -2.08 0.11 0.00 0.00 0.00 0.00 23.12 21.12 1ttf s ALA 13 CO -0.01 -2.11 1.11 0.95 0.00 0.00 0.00 175.76 175.70 1ttf s THR 14 N 0.68 2.71 -1.52 0.00 -4.23 0.38 -4.83 115.64 108.84 1ttf s THR 14 Ca 0.28 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1ttf s THR 14 Cb -0.02 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.32 1ttf s THR 14 CO -0.11 -0.30 0.78 -0.81 -0.54 0.00 0.00 174.62 173.64 1ttf n PRO 15 N -3.89 0.01 -2.75 3.99 -0.04 -1.26 -2.35 135.00 128.71 1ttf n PRO 15 Ca 0.10 0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1ttf n PRO 15 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.24 0.68 0.00 0.52 -1.04 -1.26 -4.89 114.28 107.05 1ttf n THR 16 Ca 0.00 -2.03 0.00 0.00 -2.04 0.00 0.00 64.05 59.98 1ttf n THR 16 Cb 0.01 1.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 1ttf n THR 16 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ttf n SER 17 N -1.03 0.00 -4.21 8.00 7.64 -0.99 -4.44 113.62 118.59 1ttf n SER 17 Ca -0.04 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.57 1ttf n SER 17 Cb 0.84 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.88 1ttf n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ttf s LEU 18 N 0.00 2.04 -0.21 -3.43 1.43 -0.18 -0.47 118.68 117.85 1ttf s LEU 18 Ca 0.00 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1ttf s LEU 18 Cb 0.00 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.22 1ttf s LEU 18 CO 0.00 0.25 -0.16 -0.22 0.23 0.00 0.00 176.35 176.45 1ttf s LEU 19 N -0.47 2.62 0.11 1.79 2.96 -0.98 -2.44 118.68 122.27 1ttf s LEU 19 Ca 0.08 -0.87 0.07 0.00 -0.22 0.00 0.00 54.13 53.18 1ttf s LEU 19 Cb -0.08 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1ttf s LEU 19 CO -0.01 -0.07 -0.09 0.27 -1.32 0.00 0.00 176.35 175.14 1ttf s ILE 20 N 1.24 3.43 -0.05 6.68 -5.25 -1.08 -2.10 121.20 124.07 1ttf s ILE 20 Ca 0.01 -1.28 -0.05 0.00 -0.99 0.00 0.00 60.65 58.33 1ttf s ILE 20 Cb -0.15 -2.62 0.01 0.00 2.95 0.00 0.00 42.46 42.65 1ttf s ILE 20 CO -0.10 0.08 0.15 -0.94 -1.79 0.00 0.00 174.94 172.34 1ttf s SER 21 N -2.30 -0.15 0.00 4.36 1.04 -1.09 -2.48 113.70 113.09 1ttf s SER 21 Ca 0.22 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1ttf s SER 21 Cb -0.11 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ttf s SER 21 CO 0.14 -0.06 0.00 -2.67 0.98 0.00 0.00 173.24 171.63 1ttf n TRP 22 N 2.94 0.00 -3.64 5.02 2.14 -1.02 -2.42 117.44 120.46 1ttf n TRP 22 Ca -0.13 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.31 1ttf n TRP 22 Cb 0.59 0.00 -0.06 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 1.15 -0.33 0.12 -0.67 2.15 -1.07 -4.79 116.67 113.22 1ttf s ASP 23 Ca 0.00 0.07 0.10 0.00 0.43 0.00 0.00 52.55 53.14 1ttf s ASP 23 Cb 0.00 0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 43.02 1ttf s ASP 23 CO 0.00 -0.67 -0.23 0.00 -0.17 0.00 0.00 175.17 174.10 1ttf s ALA 24 N -2.40 2.52 1.08 3.66 0.00 -1.26 -4.25 121.76 121.11 1ttf s ALA 24 Ca -0.06 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.47 1ttf s ALA 24 Cb -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1ttf s ALA 24 CO -0.02 0.56 0.15 -0.35 0.00 0.00 0.00 175.76 176.11 1ttf n PRO 25 N 0.93 -2.30 -0.01 0.00 -0.04 -1.26 -4.96 135.00 127.36 1ttf n PRO 25 Ca -0.17 -0.25 0.01 0.00 -0.04 0.00 0.00 63.50 63.04 1ttf n PRO 25 Cb 0.53 -0.31 -0.12 0.00 -0.04 0.00 0.00 33.50 33.56 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 -3.45 2.06 -1.75 0.55 0.00 -1.26 -4.94 120.51 111.72 1ttf n ALA 26 Ca -0.03 -0.73 -0.38 0.00 0.00 0.00 0.00 53.44 52.30 1ttf n ALA 26 Cb 0.10 -0.72 0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.98 2.18 -0.73 0.00 -7.23 -1.26 -4.79 120.40 105.59 1ttf s VAL 27 Ca -0.06 0.14 -0.26 0.00 -1.81 0.00 0.00 61.98 59.99 1ttf s VAL 27 Cb 0.09 -3.07 -0.12 0.00 0.56 0.00 0.00 36.38 33.84 1ttf s VAL 27 CO 0.84 0.00 2.40 0.42 -0.31 0.00 0.00 175.10 178.45 1ttf s THR 28 N -1.32 3.02 0.45 5.32 -4.23 -1.26 -4.90 115.64 112.71 1ttf s THR 28 Ca 0.70 -0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.99 1ttf s THR 28 Cb -0.39 -3.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.31 1ttf s THR 28 CO 0.47 -0.04 0.99 -0.69 -0.54 0.00 0.00 174.62 174.82 1ttf s VAL 29 N 14.17 4.10 0.00 2.29 1.01 -1.26 -4.61 120.40 136.10 1ttf s VAL 29 Ca 0.93 1.34 0.00 0.00 0.00 0.00 0.00 61.98 64.25 1ttf s VAL 29 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1ttf s VAL 29 CO 0.12 -0.25 0.08 0.54 0.00 0.00 0.00 175.10 175.58 1ttf n ARG 30 N -0.69 0.00 -3.83 2.72 5.12 -1.03 -4.88 116.66 114.06 1ttf n ARG 30 Ca 0.08 0.46 -0.09 0.00 -1.93 0.00 0.00 57.85 56.37 1ttf n ARG 30 Cb 0.53 -1.00 -0.07 0.00 -1.16 0.00 0.00 32.46 30.76 1ttf n ARG 30 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1ttf s TYR 31 N -1.08 0.13 -0.08 -1.55 2.02 -1.06 -4.34 117.35 111.39 1ttf s TYR 31 Ca 0.00 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.22 1ttf s TYR 31 Cb 0.00 0.02 -0.00 0.00 -0.40 0.00 0.00 41.96 41.57 1ttf s TYR 31 CO 0.00 -0.62 -0.24 0.71 -1.57 0.00 0.00 175.55 173.83 1ttf s TYR 32 N -3.87 2.45 -0.24 2.71 1.51 -0.23 -2.68 117.35 116.98 1ttf s TYR 32 Ca 0.07 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 1ttf s TYR 32 Cb 0.04 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1ttf s TYR 32 CO -0.08 -0.34 -0.11 0.50 -1.11 0.00 0.00 175.55 174.41 1ttf s ARG 33 N 0.17 2.53 -0.24 -0.62 3.52 -1.01 -1.60 118.95 121.71 1ttf s ARG 33 Ca -0.13 -1.16 -0.15 0.00 -0.13 0.00 0.00 55.73 54.16 1ttf s ARG 33 Cb -0.16 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1ttf s ARG 33 CO 0.07 -0.47 0.35 0.42 -0.81 0.00 0.00 175.30 174.86 1ttf s ILE 34 N 1.20 5.21 -0.07 4.11 1.01 -0.87 -1.12 121.20 130.68 1ttf s ILE 34 Ca -0.04 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.20 1ttf s ILE 34 Cb -0.18 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1ttf s ILE 34 CO -0.06 0.22 -0.17 0.42 0.00 0.00 0.00 174.94 175.36 1ttf s THR 35 N 1.60 1.46 0.19 2.92 -4.23 0.75 -2.21 115.64 116.12 1ttf s THR 35 Ca 0.15 -0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 59.89 1ttf s THR 35 Cb -0.15 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.39 1ttf s THR 35 CO 0.08 0.43 0.32 -0.72 -0.54 0.00 0.00 174.62 174.19 1ttf s TYR 36 N 0.46 0.44 0.00 3.99 -0.85 -0.19 -0.35 117.35 120.85 1ttf s TYR 36 Ca -0.14 -0.79 0.00 0.00 -0.52 0.00 0.00 57.07 55.62 1ttf s TYR 36 Cb -0.16 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.15 1ttf s TYR 36 CO 0.05 -0.78 0.00 0.41 -1.52 0.00 0.00 175.55 173.71 1ttf n GLY 37 N -0.26 3.44 3.31 5.49 0.00 -1.02 -1.83 105.19 114.32 1ttf n GLY 37 Ca -0.05 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1ttf n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ttf n GLU 38 N -0.90 -1.84 0.07 1.61 0.28 -1.26 -2.57 120.64 116.03 1ttf n GLU 38 Ca 0.00 -0.52 -0.12 0.00 -0.16 0.00 0.00 57.16 56.36 1ttf n GLU 38 Cb 0.00 -1.78 -0.08 0.00 1.43 0.00 0.00 31.44 31.01 1ttf n GLU 38 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1ttf h THR 39 N -2.21 0.00 0.00 3.84 2.02 -1.95 -3.43 112.91 111.17 1ttf h THR 39 Ca -0.56 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1ttf h THR 39 Cb 1.36 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.67 1ttf h THR 39 CO 0.41 0.00 0.13 0.61 0.37 0.00 0.00 175.52 177.04 1ttf n GLY 40 N -1.37 -1.10 0.00 2.16 0.00 -1.26 -5.08 105.19 98.54 1ttf n GLY 40 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.02 0.91 0.00 -0.02 0.00 -1.26 -4.95 105.19 99.84 1ttf n GLY 41 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.48 -2.71 1.61 5.15 -1.26 -4.95 115.26 113.58 1ttf n ASN 42 Ca 0.00 -1.24 -0.07 0.00 -0.60 0.00 0.00 54.58 52.67 1ttf n ASN 42 Cb 0.00 -0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1ttf n SER 43 N -0.12 -2.23 -4.74 1.20 7.64 -1.26 -5.15 113.62 108.96 1ttf n SER 43 Ca 0.00 -2.67 -0.34 0.00 1.01 0.00 0.00 58.87 56.86 1ttf n SER 43 Cb 0.44 1.37 0.07 0.00 -1.01 0.00 0.00 64.21 65.08 1ttf n SER 43 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ttf s PRO 44 N 0.45 2.51 0.00 1.43 0.02 -1.26 -4.82 135.00 133.32 1ttf s PRO 44 Ca 0.29 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1ttf s PRO 44 Cb 0.22 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.85 1ttf s PRO 44 CO -0.18 -1.53 0.00 0.28 -0.33 0.00 0.00 177.00 175.24 1ttf n VAL 45 N -2.41 0.00 0.00 3.83 0.31 -1.25 -4.95 118.33 113.86 1ttf n VAL 45 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ttf n VAL 45 Cb 0.51 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.00 0.00 -3.57 5.55 10.64 -0.76 -4.95 117.38 124.30 1ttf n GLN 46 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 1ttf n GLN 46 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 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 4.31 0.60 0.14 2.61 -1.05 -1.26 -1.03 118.70 123.02 1ttf s GLU 47 Ca 0.00 -0.24 -0.15 0.00 -0.15 0.00 0.00 54.97 54.44 1ttf s GLU 47 Cb 0.00 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.98 1ttf s GLU 47 CO 0.00 -0.26 0.38 -0.59 0.95 0.00 0.00 175.26 175.74 1ttf s PHE 48 N -2.79 -0.09 0.22 4.83 -0.12 -0.94 -5.01 117.98 114.08 1ttf s PHE 48 Ca 0.08 -0.25 0.09 0.00 -0.05 0.00 0.00 56.93 56.80 1ttf s PHE 48 Cb -0.01 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1ttf s PHE 48 CO -0.06 -0.72 -0.06 0.95 -0.05 0.00 0.00 175.22 175.29 1ttf s THR 49 N -3.84 3.31 0.04 -4.49 -4.23 -1.26 -2.04 115.64 103.13 1ttf s THR 49 Ca 0.05 -1.77 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1ttf s THR 49 Cb 0.02 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.17 1ttf s THR 49 CO -0.09 -0.23 0.22 0.68 -0.54 0.00 0.00 174.62 174.66 1ttf s VAL 50 N -1.98 0.10 -0.67 2.29 -7.23 -0.63 -4.98 120.40 107.30 1ttf s VAL 50 Ca 0.28 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1ttf s VAL 50 Cb -0.08 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1ttf s VAL 50 CO 0.17 -0.45 0.10 -0.81 -0.31 0.00 0.00 175.10 173.81 1ttf n PRO 51 N 0.74 0.16 -0.92 4.82 -0.04 -1.26 -1.07 135.00 137.42 1ttf n PRO 51 Ca -0.19 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.22 1ttf n PRO 51 Cb 0.59 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.59 0.49 0.20 0.55 0.00 -1.26 -4.72 105.19 101.04 1ttf n GLY 52 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.89 -3.27 1.61 0.02 -1.92 -3.43 113.55 107.45 1ttf h SER 53 Ca -0.11 -0.66 -0.59 0.00 -0.84 0.00 0.00 61.79 59.59 1ttf h SER 53 Cb 0.72 -0.27 -0.10 0.00 0.14 0.00 0.00 62.40 62.89 1ttf h SER 53 CO 0.16 1.46 -0.35 -0.75 -1.14 0.00 0.00 176.83 176.21 1ttf s LYS 54 N -3.48 4.22 -0.13 3.45 2.20 -1.26 -4.95 119.74 119.78 1ttf s LYS 54 Ca -0.10 0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1ttf s LYS 54 Cb 0.08 -3.42 0.30 0.00 -1.51 0.00 0.00 37.83 33.28 1ttf s LYS 54 CO 0.91 0.27 1.16 0.43 -0.36 0.00 0.00 175.35 177.76 1ttf n SER 55 N 3.50 3.08 -4.05 1.43 7.64 -1.26 -4.85 113.62 119.11 1ttf n SER 55 Ca -0.13 -2.49 -0.09 0.00 1.01 0.00 0.00 58.87 57.17 1ttf n SER 55 Cb 0.52 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.53 0.11 -0.19 0.44 -4.23 -1.26 -2.45 115.64 106.53 1ttf s THR 56 Ca 0.22 -1.66 -0.20 0.00 -1.18 0.00 0.00 61.69 58.87 1ttf s THR 56 Cb 0.18 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 72.22 1ttf s THR 56 CO 0.05 -0.48 0.56 0.00 -0.54 0.00 0.00 174.62 174.21 1ttf s ALA 57 N -3.99 -1.39 -0.04 3.99 0.00 -1.03 -5.03 121.76 114.27 1ttf s ALA 57 Ca 0.18 1.50 0.06 0.00 0.00 0.00 0.00 51.96 53.70 1ttf s ALA 57 Cb 0.06 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1ttf s ALA 57 CO -0.01 -0.27 -0.20 0.99 0.00 0.00 0.00 175.76 176.26 1ttf s THR 58 N 0.11 2.54 -0.02 0.00 2.01 -1.26 -2.64 115.64 116.38 1ttf s THR 58 Ca -0.01 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 1ttf s THR 58 Cb -0.04 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1ttf s THR 58 CO 0.02 0.58 0.06 -0.51 -0.69 0.00 0.00 174.62 174.07 1ttf s ILE 59 N -0.60 0.00 0.30 1.82 2.07 -1.02 -5.04 121.20 118.73 1ttf s ILE 59 Ca 0.09 -0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 1ttf s ILE 59 Cb -0.11 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 1ttf s ILE 59 CO 0.00 -0.02 0.28 -0.55 -1.91 0.00 0.00 174.94 172.75 1ttf s SER 60 N -0.03 1.10 0.00 4.50 0.15 -1.26 -1.01 113.70 117.14 1ttf s SER 60 Ca -0.01 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.06 1ttf s SER 60 Cb -0.01 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1ttf s SER 60 CO 0.00 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.00 1ttf n GLY 61 N -0.51 0.52 0.00 9.45 0.00 -1.26 -5.03 105.19 108.35 1ttf n GLY 61 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.91 0.00 -3.66 0.99 -0.00 -1.26 -5.10 117.00 107.06 1ttf n LEU 62 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1ttf n LEU 62 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 1ttf n LEU 62 CO 0.00 0.00 -0.33 -0.75 -0.00 0.00 0.00 177.39 176.31 1ttf s LYS 63 N 1.12 0.50 0.73 1.47 2.47 -1.26 -5.05 119.74 119.72 1ttf s LYS 63 Ca 0.00 -0.77 -0.15 0.00 -1.56 0.00 0.00 55.97 53.49 1ttf s LYS 63 Cb 0.00 -1.70 0.04 0.00 -1.46 0.00 0.00 37.83 34.71 1ttf s LYS 63 CO 0.00 -0.95 1.22 -2.14 0.16 0.00 0.00 175.35 173.64 1ttf s PRO 64 N 1.84 2.13 0.00 4.03 0.02 -1.26 -4.22 135.00 137.53 1ttf s PRO 64 Ca 0.08 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1ttf s PRO 64 Cb -0.17 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1ttf s PRO 64 CO -0.27 -1.85 0.00 0.41 -0.33 0.00 0.00 177.00 174.96 1ttf n GLY 65 N 0.46 0.57 3.45 0.52 0.00 -1.17 -5.10 105.19 103.93 1ttf n GLY 65 Ca 0.14 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.23 0.00 0.71 1.61 0.11 -0.71 -5.06 120.40 114.84 1ttf s VAL 66 Ca 0.00 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.87 1ttf s VAL 66 Cb 0.00 -1.03 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1ttf s VAL 66 CO 0.00 0.00 1.21 -1.81 -3.33 0.00 0.00 175.10 171.17 1ttf s ASP 67 N -2.69 4.33 -0.18 3.54 1.01 -1.26 -2.50 116.67 118.92 1ttf s ASP 67 Ca 0.02 2.36 -0.05 0.00 0.71 0.00 0.00 52.55 55.59 1ttf s ASP 67 Cb -0.01 -2.59 0.09 0.00 1.01 0.00 0.00 42.92 41.42 1ttf s ASP 67 CO -0.11 -2.17 0.35 -0.31 0.21 0.00 0.00 175.17 173.13 1ttf s TYR 68 N -1.94 -0.65 -0.28 4.23 2.02 -0.34 -4.28 117.35 116.12 1ttf s TYR 68 Ca 0.75 1.13 -0.13 0.00 -0.37 0.00 0.00 57.07 58.44 1ttf s TYR 68 Cb -0.29 0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.32 1ttf s TYR 68 CO 0.44 -0.49 0.30 0.99 -1.57 0.00 0.00 175.55 175.22 1ttf s THR 69 N 2.52 5.23 -0.17 -0.71 2.01 -1.06 -1.82 115.64 121.63 1ttf s THR 69 Ca 0.03 0.36 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 1ttf s THR 69 Cb -0.13 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1ttf s THR 69 CO -0.12 0.17 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.38 1ttf s ILE 70 N 1.94 3.27 -0.01 1.82 1.10 -1.08 -2.43 121.20 125.81 1ttf s ILE 70 Ca 0.12 -0.56 0.03 0.00 -0.51 0.00 0.00 60.65 59.73 1ttf s ILE 70 Cb -0.16 -2.43 -0.01 0.00 0.15 0.00 0.00 42.46 40.02 1ttf s ILE 70 CO 0.10 0.48 -0.11 -0.89 -2.11 0.00 0.00 174.94 172.42 1ttf s THR 71 N 0.80 0.91 -0.07 4.00 2.01 0.53 -2.08 115.64 121.73 1ttf s THR 71 Ca -0.03 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1ttf s THR 71 Cb -0.15 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.60 1ttf s THR 71 CO 0.01 0.26 -0.16 0.68 -0.69 0.00 0.00 174.62 174.73 1ttf s VAL 72 N -0.15 1.40 -0.31 3.82 -7.23 -1.06 -0.18 120.40 116.68 1ttf s VAL 72 Ca 0.02 -0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 59.43 1ttf s VAL 72 Cb -0.06 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1ttf s VAL 72 CO -0.00 0.41 0.20 -0.31 -0.31 0.00 0.00 175.10 175.09 1ttf s TYR 73 N 0.44 3.21 -0.42 2.82 1.51 -0.27 -2.65 117.35 121.99 1ttf s TYR 73 Ca -0.13 -0.18 -0.18 0.00 -1.01 0.00 0.00 57.07 55.58 1ttf s TYR 73 Cb -0.15 -2.42 0.02 0.00 -0.11 0.00 0.00 41.96 39.30 1ttf s TYR 73 CO 0.04 -0.31 0.46 0.00 -1.11 0.00 0.00 175.55 174.63 1ttf s ALA 74 N 1.71 3.42 -0.26 3.71 0.00 -1.26 -2.39 121.76 126.69 1ttf s ALA 74 Ca 0.06 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 1ttf s ALA 74 Cb -0.17 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1ttf s ALA 74 CO 0.10 -1.60 0.02 0.08 0.00 0.00 0.00 175.76 174.35 1ttf s VAL 75 N 2.23 3.64 0.00 0.00 1.01 -1.09 -4.12 120.40 122.06 1ttf s VAL 75 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1ttf s VAL 75 Cb -0.17 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1ttf s VAL 75 CO 0.14 0.23 0.00 0.35 0.00 0.00 0.00 175.10 175.83 1ttf n THR 76 N 4.82 0.00 0.00 3.92 -2.24 -1.24 -2.46 114.28 117.08 1ttf n THR 76 Ca -0.16 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1ttf n THR 76 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 4.64 2.03 0.91 3.38 0.00 -1.26 -4.10 105.19 110.78 1ttf n GLY 77 Ca -0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.53 1.44 0.00 1.61 3.00 -1.26 -4.92 116.66 115.99 1ttf n ARG 78 Ca 0.00 -0.86 0.00 0.00 -0.01 0.00 0.00 57.85 56.98 1ttf n ARG 78 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 32.46 32.60 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 3.44 0.83 0.00 -0.13 0.00 -1.26 -3.80 105.19 104.27 1ttf n GLY 79 Ca -0.02 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 4.37 0.00 -4.84 1.61 2.03 -1.26 -5.13 116.55 113.33 1ttf n ASP 80 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1ttf n ASP 80 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ttf s SER 81 N -0.34 5.24 0.74 1.67 0.01 -1.25 -5.01 113.70 114.76 1ttf s SER 81 Ca 0.00 1.39 -0.15 0.00 1.31 0.00 0.00 55.95 58.50 1ttf s SER 81 Cb 0.00 -2.23 0.04 0.00 0.21 0.00 0.00 66.02 64.04 1ttf s SER 81 CO 0.00 -1.50 1.21 -2.16 0.41 0.00 0.00 173.24 171.20 1ttf s PRO 82 N -5.16 2.08 0.00 12.44 0.04 -1.26 -4.52 135.00 138.62 1ttf s PRO 82 Ca 0.58 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1ttf s PRO 82 Cb -0.13 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1ttf s PRO 82 CO 0.54 -1.88 0.00 0.00 0.04 0.00 0.00 177.00 175.70 1ttf n ALA 83 N -2.75 0.00 -2.01 8.56 0.00 -1.26 -4.97 120.51 118.09 1ttf n ALA 83 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 1ttf n ALA 83 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 1ttf n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ttf s SER 84 N 1.00 5.47 0.00 0.00 0.15 -1.26 -5.00 113.70 114.06 1ttf s SER 84 Ca 0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1ttf s SER 84 Cb 0.00 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1ttf s SER 84 CO 0.00 -0.94 0.00 -1.20 1.20 0.00 0.00 173.24 172.30 1ttf n SER 85 N -2.02 0.00 -1.20 5.45 7.64 -1.26 -3.61 113.62 118.61 1ttf n SER 85 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ttf n SER 85 Cb 0.60 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.74 0.00 -1.36 1.43 4.81 -1.26 -4.43 118.16 115.62 1ttf n LYS 86 Ca 0.00 0.29 -0.29 0.00 -0.87 0.00 0.00 58.31 57.44 1ttf n LYS 86 Cb 0.00 -1.20 0.13 0.00 0.02 0.00 0.00 35.03 33.98 1ttf n LYS 86 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ttf s PRO 87 N -2.80 1.29 -0.18 1.64 0.04 -1.26 -4.36 135.00 129.36 1ttf s PRO 87 Ca 0.00 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 61.55 1ttf s PRO 87 Cb 0.00 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.78 1ttf s PRO 87 CO 0.00 -2.17 0.43 -1.50 0.04 0.00 0.00 177.00 173.81 1ttf s ILE 88 N -3.07 -0.16 0.13 0.56 2.07 -1.08 -5.00 121.20 114.65 1ttf s ILE 88 Ca 0.63 0.10 0.10 0.00 -1.41 0.00 0.00 60.65 60.07 1ttf s ILE 88 Cb -0.16 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 1ttf s ILE 88 CO 0.56 0.04 -0.20 -0.94 -1.91 0.00 0.00 174.94 172.49 1ttf s SER 89 N 1.68 3.77 -0.10 4.50 1.04 -1.26 -2.58 113.70 120.75 1ttf s SER 89 Ca -0.08 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 1ttf s SER 89 Cb -0.09 -0.47 0.04 0.00 0.10 0.00 0.00 66.02 65.60 1ttf s SER 89 CO -0.13 0.17 0.25 0.27 0.98 0.00 0.00 173.24 174.77 1ttf s ILE 90 N -1.24 -0.03 0.33 -1.02 -4.36 -0.88 -5.02 121.20 108.99 1ttf s ILE 90 Ca 0.18 0.10 -0.25 0.00 -0.26 0.00 0.00 60.65 60.42 1ttf s ILE 90 Cb -0.10 -0.38 -0.10 0.00 1.25 0.00 0.00 42.46 43.13 1ttf s ILE 90 CO 0.10 0.04 0.92 0.54 0.24 0.00 0.00 174.94 176.78 1ttf s ASN 91 N 0.89 7.24 -0.28 4.36 4.22 -1.26 -2.62 114.94 127.49 1ttf s ASN 91 Ca -0.06 1.77 -0.18 0.00 -2.14 0.00 0.00 52.86 52.24 1ttf s ASN 91 Cb -0.07 -2.56 0.08 0.00 1.28 0.00 0.00 41.25 39.98 1ttf s ASN 91 CO -0.06 -0.11 0.70 -0.47 -2.04 0.00 0.00 177.10 175.12 1ttf s TYR 92 N -1.71 -0.99 -0.20 1.54 6.14 -0.76 -4.96 117.35 116.41 1ttf s TYR 92 Ca 0.52 2.07 -0.19 0.00 0.64 0.00 0.00 57.07 60.11 1ttf s TYR 92 Cb -0.17 0.54 -0.03 0.00 0.42 0.00 0.00 41.96 42.72 1ttf s TYR 92 CO 0.22 -0.49 0.55 -0.98 0.64 0.00 0.00 175.55 175.49 1ttf s ARG 93 N 1.30 4.19 0.00 4.97 1.70 -1.26 -1.19 118.95 128.66 1ttf s ARG 93 Ca -0.07 0.47 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 1ttf s ARG 93 Cb -0.05 -3.57 0.00 0.00 -0.57 0.00 0.00 34.95 30.76 1ttf s ARG 93 CO -0.14 -0.18 0.49 2.41 -1.08 0.00 0.00 175.30 176.79