#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 -0.08 0.00 6.55 0.15 -1.26 -5.04 113.70 114.02 1ttf s SER 2 Ca 0.00 0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.81 1ttf s SER 2 Cb 0.00 0.29 0.22 0.00 -1.71 0.00 0.00 66.02 64.82 1ttf s SER 2 CO 0.00 -0.31 1.07 -0.67 1.20 0.00 0.00 173.24 174.53 1ttf n ASP 3 N 1.82 0.47 -4.77 5.45 2.03 -1.26 -5.09 116.55 115.20 1ttf n ASP 3 Ca -0.20 -1.96 -0.39 0.00 0.52 0.00 0.00 54.79 52.75 1ttf n ASP 3 Cb 0.56 -0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.00 4.66 0.00 5.18 1.01 -1.26 -4.99 120.40 124.99 1ttf s VAL 4 Ca 0.17 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1ttf s VAL 4 Cb 0.20 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ttf s VAL 4 CO -0.09 0.45 0.00 -2.65 0.00 0.00 0.00 175.10 172.81 1ttf n PRO 5 N 2.26 0.64 -3.77 2.72 -0.02 -1.26 -5.00 135.00 130.58 1ttf n PRO 5 Ca -0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.40 1ttf n PRO 5 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.97 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 -0.83 1.16 0.00 -0.52 1.70 -1.26 -5.09 118.95 114.12 1ttf s ARG 6 Ca 0.00 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.60 1ttf s ARG 6 Cb 0.00 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1ttf s ARG 6 CO 0.00 -0.53 0.00 -0.25 -1.08 0.00 0.00 175.30 173.44 1ttf n ASP 7 N -0.60 0.00 -4.83 -2.89 9.92 -1.26 -4.44 116.55 112.45 1ttf n ASP 7 Ca -0.06 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.84 1ttf n ASP 7 Cb 0.61 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.02 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 0.00 4.21 0.23 0.64 1.02 -1.26 -4.64 118.68 118.88 1ttf s LEU 8 Ca 0.00 0.39 -0.15 0.00 0.02 0.00 0.00 54.13 54.39 1ttf s LEU 8 Cb 0.00 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.20 1ttf s LEU 8 CO 0.00 0.39 0.52 -1.61 0.02 0.00 0.00 176.35 175.67 1ttf s GLU 9 N -0.93 1.51 -0.32 1.70 0.41 -1.05 -5.06 118.70 114.97 1ttf s GLU 9 Ca 0.14 -1.09 -0.10 0.00 -0.41 0.00 0.00 54.97 53.51 1ttf s GLU 9 Cb -0.12 0.50 -0.01 0.00 -1.78 0.00 0.00 34.13 32.72 1ttf s GLU 9 CO 0.03 -0.64 0.17 0.08 -0.49 0.00 0.00 175.26 174.42 1ttf s VAL 10 N -3.96 4.76 0.00 2.63 1.01 -1.26 -2.72 120.40 120.86 1ttf s VAL 10 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1ttf s VAL 10 Cb -0.01 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ttf s VAL 10 CO 0.05 0.06 0.30 0.52 0.00 0.00 0.00 175.10 176.02 1ttf n VAL 11 N 5.01 0.00 -4.29 2.92 0.31 -1.00 -5.02 118.33 116.27 1ttf n VAL 11 Ca -0.14 0.67 -0.19 0.00 -0.01 0.00 0.00 64.34 64.67 1ttf n VAL 11 Cb 0.49 -1.41 -0.08 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.10 1.87 -0.28 3.52 0.00 -1.25 -5.04 121.76 117.47 1ttf s ALA 12 Ca 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 51.96 49.89 1ttf s ALA 12 Cb 0.00 1.47 0.12 0.00 0.00 0.00 0.00 23.12 24.70 1ttf s ALA 12 CO 0.00 -0.66 0.22 0.00 0.00 0.00 0.00 175.76 175.33 1ttf s ALA 13 N -3.46 -0.01 0.96 0.00 0.00 -1.26 -2.42 121.76 115.56 1ttf s ALA 13 Ca 0.40 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 1ttf s ALA 13 Cb 0.02 -1.60 0.17 0.00 0.00 0.00 0.00 23.12 21.71 1ttf s ALA 13 CO 0.27 -1.65 1.09 0.95 0.00 0.00 0.00 175.76 176.42 1ttf s THR 14 N 2.25 2.39 -0.37 0.00 -4.23 0.37 -4.81 115.64 111.25 1ttf s THR 14 Ca 0.09 0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.81 1ttf s THR 14 Cb -0.15 -2.38 0.08 0.00 1.34 0.00 0.00 72.50 71.39 1ttf s THR 14 CO -0.33 -0.17 1.14 -2.65 -0.54 0.00 0.00 174.62 172.08 1ttf n PRO 15 N -4.21 0.05 -1.58 3.99 -0.02 -1.26 -2.37 135.00 129.60 1ttf n PRO 15 Ca 0.07 0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1ttf n PRO 15 Cb 0.54 -1.86 -0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.75 0.02 -3.63 3.45 -2.24 -1.26 -4.88 114.28 103.99 1ttf n THR 16 Ca -0.01 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1ttf n THR 16 Cb 0.19 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.13 -0.73 -0.15 3.42 0.15 -1.00 -3.51 113.70 110.75 1ttf s SER 17 Ca 0.05 1.36 -0.01 0.00 0.70 0.00 0.00 55.95 58.05 1ttf s SER 17 Cb 0.16 1.36 -0.01 0.00 -1.71 0.00 0.00 66.02 65.83 1ttf s SER 17 CO -0.05 -0.23 -0.12 -0.22 1.20 0.00 0.00 173.24 173.82 1ttf s LEU 18 N 0.61 2.69 -0.58 3.45 2.96 -0.25 0.14 118.68 127.70 1ttf s LEU 18 Ca -0.02 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 53.36 1ttf s LEU 18 Cb -0.05 -1.62 0.14 0.00 0.50 0.00 0.00 46.19 45.16 1ttf s LEU 18 CO -0.04 0.11 0.53 -0.22 -1.32 0.00 0.00 176.35 175.41 1ttf s LEU 19 N 0.67 6.26 0.10 -0.68 0.20 -1.02 -2.07 118.68 122.14 1ttf s LEU 19 Ca -0.06 -1.90 -0.04 0.00 0.69 0.00 0.00 54.13 52.81 1ttf s LEU 19 Cb -0.15 -2.21 -0.05 0.00 -0.43 0.00 0.00 46.19 43.35 1ttf s LEU 19 CO 0.02 -0.82 0.33 0.27 -0.29 0.00 0.00 176.35 175.86 1ttf s ILE 20 N 1.42 5.23 -0.09 6.68 -5.25 -0.77 -2.36 121.20 126.06 1ttf s ILE 20 Ca 0.05 0.00 -0.06 0.00 -0.99 0.00 0.00 60.65 59.65 1ttf s ILE 20 Cb -0.27 -3.62 0.03 0.00 2.95 0.00 0.00 42.46 41.55 1ttf s ILE 20 CO 0.01 0.13 0.22 -0.94 -1.79 0.00 0.00 174.94 172.57 1ttf s SER 21 N -2.29 -0.22 0.00 4.36 1.04 -1.10 -2.06 113.70 113.43 1ttf s SER 21 Ca 0.37 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1ttf s SER 21 Cb -0.13 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1ttf s SER 21 CO 0.23 -0.12 0.00 -2.67 0.98 0.00 0.00 173.24 171.66 1ttf n TRP 22 N 3.67 0.00 -3.94 5.02 2.14 -1.07 -2.52 117.44 120.74 1ttf n TRP 22 Ca -0.20 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.28 1ttf n TRP 22 Cb 0.55 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.99 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 -0.06 -0.04 -0.67 2.15 -1.26 -4.84 116.67 112.94 1ttf s ASP 23 Ca 0.00 -0.83 -0.02 0.00 0.43 0.00 0.00 52.55 52.13 1ttf s ASP 23 Cb 0.00 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.15 1ttf s ASP 23 CO 0.00 -1.01 0.09 0.00 -0.17 0.00 0.00 175.17 174.08 1ttf s ALA 24 N -3.97 -0.18 1.25 3.66 0.00 -1.26 -4.77 121.76 116.49 1ttf s ALA 24 Ca 0.18 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1ttf s ALA 24 Cb 0.01 -0.22 0.30 0.00 0.00 0.00 0.00 23.12 23.20 1ttf s ALA 24 CO 0.03 -0.08 0.82 -0.35 0.00 0.00 0.00 175.76 176.19 1ttf n PRO 25 N 3.46 -3.06 0.11 0.00 -0.04 -1.26 -4.92 135.00 129.29 1ttf n PRO 25 Ca -0.18 -0.88 -0.01 0.00 -0.04 0.00 0.00 63.50 62.40 1ttf n PRO 25 Cb 0.56 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ttf h ALA 26 N -2.90 0.58 -2.26 0.55 0.00 -2.01 -3.46 119.26 109.76 1ttf h ALA 26 Ca -0.56 -0.62 -0.51 0.00 0.00 0.00 0.00 54.91 53.21 1ttf h ALA 26 Cb 1.32 -0.08 0.20 0.00 0.00 0.00 0.00 17.79 19.23 1ttf h ALA 26 CO 0.41 0.84 0.20 0.28 0.00 0.00 0.00 179.25 180.99 1ttf n VAL 27 N -3.25 0.00 -1.96 0.00 0.31 -1.26 -4.87 118.33 107.30 1ttf n VAL 27 Ca 0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 1ttf n VAL 27 Cb 0.81 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.71 1ttf n VAL 27 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1ttf s THR 28 N -2.62 2.62 -0.21 2.52 -1.32 -1.26 -4.98 115.64 110.39 1ttf s THR 28 Ca 0.67 0.47 -0.04 0.00 -1.21 0.00 0.00 61.69 61.58 1ttf s THR 28 Cb -0.23 -3.30 -0.02 0.00 -1.51 0.00 0.00 72.50 67.44 1ttf s THR 28 CO 0.58 0.05 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.34 1ttf s VAL 29 N 0.68 3.68 0.11 5.08 1.01 -1.26 -3.92 120.40 125.78 1ttf s VAL 29 Ca 0.66 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 1ttf s VAL 29 Cb -0.43 -2.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 1ttf s VAL 29 CO 0.36 0.42 1.62 -0.09 0.00 0.00 0.00 175.10 177.41 1ttf h ARG 30 N 7.78 -0.54 0.00 2.72 9.65 -1.59 -3.42 114.38 128.98 1ttf h ARG 30 Ca -0.38 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1ttf h ARG 30 Cb 1.17 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1ttf h ARG 30 CO 0.60 -0.36 0.00 2.48 2.80 0.00 0.00 179.97 185.49 1ttf n TYR 31 N -5.42 0.00 -4.34 2.20 0.18 -1.06 -4.63 117.16 104.09 1ttf n TYR 31 Ca -0.07 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.53 1ttf n TYR 31 Cb 0.33 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.19 1ttf n TYR 31 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1ttf s TYR 32 N -2.00 1.64 -0.24 -3.48 1.51 0.34 -2.37 117.35 112.76 1ttf s TYR 32 Ca 0.00 -0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 55.34 1ttf s TYR 32 Cb 0.00 -0.83 0.09 0.00 -0.11 0.00 0.00 41.96 41.10 1ttf s TYR 32 CO 0.00 0.23 0.13 1.03 -1.11 0.00 0.00 175.55 175.83 1ttf s ARG 33 N -3.71 0.15 -0.28 -0.62 0.52 -1.05 -2.06 118.95 111.91 1ttf s ARG 33 Ca 0.23 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 55.05 1ttf s ARG 33 Cb 0.02 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 1ttf s ARG 33 CO 0.07 -0.86 0.22 0.42 0.02 0.00 0.00 175.30 175.17 1ttf s ILE 34 N 2.15 5.29 -0.04 1.52 1.09 -1.05 -2.28 121.20 127.88 1ttf s ILE 34 Ca 0.06 0.23 0.07 0.00 -1.10 0.00 0.00 60.65 59.91 1ttf s ILE 34 Cb -0.16 -3.55 -0.01 0.00 -1.06 0.00 0.00 42.46 37.67 1ttf s ILE 34 CO -0.24 0.24 -0.25 0.42 -0.10 0.00 0.00 174.94 175.01 1ttf s THR 35 N 1.78 2.02 0.05 2.92 -4.23 -0.74 -1.81 115.64 115.62 1ttf s THR 35 Ca 0.08 -1.06 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1ttf s THR 35 Cb -0.16 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1ttf s THR 35 CO 0.11 0.56 0.04 -0.72 -0.54 0.00 0.00 174.62 174.07 1ttf s TYR 36 N -0.32 0.35 -0.06 3.99 1.13 -0.67 -1.55 117.35 120.22 1ttf s TYR 36 Ca 0.01 -0.79 -0.32 0.00 -1.41 0.00 0.00 57.07 54.57 1ttf s TYR 36 Cb -0.12 -0.25 0.13 0.00 -1.10 0.00 0.00 41.96 40.62 1ttf s TYR 36 CO 0.02 -0.39 1.37 0.20 -2.51 0.00 0.00 175.55 174.24 1ttf s GLY 37 N -2.57 -0.45 0.00 5.49 0.00 -0.83 -2.57 107.32 106.39 1ttf s GLY 37 Ca 0.01 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.53 1ttf s GLY 37 CO -0.08 0.52 0.00 1.18 0.00 0.00 0.00 173.10 174.72 1ttf n GLU 38 N -0.52 0.29 0.14 2.90 1.02 -1.26 -0.21 120.64 122.99 1ttf n GLU 38 Ca -0.09 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1ttf n GLU 38 Cb 0.63 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.22 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 -1.43 0.39 -1.46 2.62 5.66 -1.05 -3.54 114.28 115.49 1ttf n THR 39 Ca 0.00 0.71 0.00 0.00 -3.05 0.00 0.00 64.05 61.71 1ttf n THR 39 Cb 0.00 -1.71 0.00 0.00 -1.55 0.00 0.00 70.33 67.07 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 -1.25 -2.83 0.00 1.09 0.00 -1.26 -4.91 105.19 96.03 1ttf n GLY 40 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.13 0.66 -0.02 0.00 -1.26 -4.99 105.19 99.73 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 -2.01 0.00 0.00 0.00 173.32 171.31 1ttf n ASN 42 N 0.00 1.37 -2.67 1.61 2.85 -1.26 -5.03 115.26 112.12 1ttf n ASN 42 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 1ttf n ASN 42 Cb 0.00 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.06 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ttf n SER 43 N -2.82 -1.55 -4.74 1.20 7.64 -1.26 -5.15 113.62 106.94 1ttf n SER 43 Ca 0.00 -1.19 -0.34 0.00 1.01 0.00 0.00 58.87 58.34 1ttf n SER 43 Cb 0.49 0.79 0.07 0.00 -1.01 0.00 0.00 64.21 64.55 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 0.84 2.48 0.00 1.43 0.02 -1.26 -4.41 135.00 134.10 1ttf s PRO 44 Ca 0.24 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1ttf s PRO 44 Cb 0.14 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1ttf s PRO 44 CO -0.10 -1.56 0.00 0.28 -0.33 0.00 0.00 177.00 175.29 1ttf n VAL 45 N -2.39 0.00 -0.68 3.83 0.31 -1.16 -4.92 118.33 113.32 1ttf n VAL 45 Ca 0.13 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1ttf n VAL 45 Cb 0.50 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1ttf n VAL 45 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ttf n GLN 46 N 0.00 0.00 -3.73 5.55 7.27 -1.06 -5.03 117.38 120.38 1ttf n GLN 46 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 1ttf n GLN 46 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1ttf s GLU 47 N 3.84 1.24 -0.19 3.69 -1.05 -1.26 -1.67 118.70 123.30 1ttf s GLU 47 Ca 0.00 -0.66 -0.15 0.00 -0.15 0.00 0.00 54.97 54.01 1ttf s GLU 47 Cb 0.00 0.44 0.05 0.00 -0.44 0.00 0.00 34.13 34.19 1ttf s GLU 47 CO 0.00 -0.57 0.49 -0.59 0.95 0.00 0.00 175.26 175.54 1ttf s PHE 48 N -3.38 -0.60 0.24 4.83 -0.71 -0.75 -5.00 117.98 112.60 1ttf s PHE 48 Ca 0.11 1.38 0.05 0.00 -1.04 0.00 0.00 56.93 57.42 1ttf s PHE 48 Cb -0.02 0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1ttf s PHE 48 CO 0.01 -0.30 0.35 0.95 -1.34 0.00 0.00 175.22 174.89 1ttf s THR 49 N 0.68 5.25 -0.00 -4.49 -4.23 -1.26 -2.53 115.64 109.06 1ttf s THR 49 Ca -0.03 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1ttf s THR 49 Cb -0.05 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.96 1ttf s THR 49 CO -0.05 -0.32 0.25 0.68 -0.54 0.00 0.00 174.62 174.64 1ttf s VAL 50 N -1.97 0.07 -1.69 2.29 -7.23 -0.87 -4.97 120.40 106.02 1ttf s VAL 50 Ca 0.34 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1ttf s VAL 50 Cb -0.09 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.26 1ttf s VAL 50 CO 0.29 -0.32 0.18 -2.65 -0.31 0.00 0.00 175.10 172.29 1ttf n PRO 51 N 1.25 0.00 -0.91 4.82 -0.01 -1.26 -0.50 135.00 138.38 1ttf n PRO 51 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.27 1ttf n PRO 51 Cb 0.56 -1.21 0.00 0.00 -0.01 0.00 0.00 33.50 32.84 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ttf n GLY 52 N -0.64 0.65 0.11 -1.23 0.00 -1.26 -4.24 105.19 98.58 1ttf n GLY 52 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ttf n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ttf h SER 53 N 0.00 0.44 -2.73 1.61 0.87 -1.91 -3.43 113.55 108.39 1ttf h SER 53 Ca 0.00 -0.54 -0.55 0.00 -1.23 0.00 0.00 61.79 59.47 1ttf h SER 53 Cb 0.00 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.77 1ttf h SER 53 CO 0.00 1.44 1.19 -0.54 -0.53 0.00 0.00 176.83 178.38 1ttf s LYS 54 N -2.63 3.24 0.37 2.24 1.02 -1.26 -4.81 119.74 117.91 1ttf s LYS 54 Ca -0.07 0.84 0.24 0.00 0.02 0.00 0.00 55.97 57.00 1ttf s LYS 54 Cb 0.07 -4.17 0.50 0.00 -0.52 0.00 0.00 37.83 33.71 1ttf s LYS 54 CO 0.87 -1.99 1.67 0.77 -0.92 0.00 0.00 175.35 175.75 1ttf h SER 55 N 12.19 0.00 -4.18 2.83 0.02 -1.93 -3.45 113.55 119.02 1ttf h SER 55 Ca -0.29 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.36 1ttf h SER 55 Cb 1.13 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.51 1ttf h SER 55 CO 1.13 0.00 -0.72 0.42 -1.14 0.00 0.00 176.83 176.52 1ttf s THR 56 N -3.18 1.03 -0.06 -2.27 -4.23 -1.26 -2.61 115.64 103.06 1ttf s THR 56 Ca 0.08 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.36 1ttf s THR 56 Cb 0.07 -1.70 0.07 0.00 1.34 0.00 0.00 72.50 72.28 1ttf s THR 56 CO 0.64 -0.72 0.65 0.00 -0.54 0.00 0.00 174.62 174.65 1ttf s ALA 57 N -3.16 -1.69 -0.18 3.99 0.00 -0.87 -5.04 121.76 114.81 1ttf s ALA 57 Ca 0.13 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1ttf s ALA 57 Cb 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1ttf s ALA 57 CO -0.01 -0.36 -0.16 0.99 0.00 0.00 0.00 175.76 176.23 1ttf s THR 58 N -1.08 1.88 0.08 0.00 2.01 -1.26 -1.84 115.64 115.42 1ttf s THR 58 Ca -0.10 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 60.98 1ttf s THR 58 Cb -0.01 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1ttf s THR 58 CO 0.09 0.39 0.01 0.27 -0.69 0.00 0.00 174.62 174.69 1ttf s ILE 59 N 1.34 4.10 0.40 1.82 -4.36 -0.88 -4.94 121.20 118.67 1ttf s ILE 59 Ca 0.02 -0.92 0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1ttf s ILE 59 Cb -0.14 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.59 1ttf s ILE 59 CO -0.11 0.14 0.09 -0.44 0.24 0.00 0.00 174.94 174.87 1ttf s SER 60 N -2.25 2.89 0.00 4.36 0.01 -1.26 -1.09 113.70 116.36 1ttf s SER 60 Ca 0.26 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1ttf s SER 60 Cb -0.12 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1ttf s SER 60 CO 0.18 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1ttf n GLY 61 N -0.90 0.47 0.00 3.44 0.00 -1.23 -5.02 105.19 101.95 1ttf n GLY 61 Ca -0.07 -0.39 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 1.04 0.00 0.00 0.00 173.32 174.36 1ttf n LEU 62 N -0.79 0.00 -3.18 0.99 4.77 -1.26 -5.08 117.00 112.45 1ttf n LEU 62 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1ttf n LEU 62 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1ttf n LEU 62 CO 0.00 -0.05 -0.13 -0.54 -1.33 0.00 0.00 177.39 175.34 1ttf s LYS 63 N -1.54 0.89 0.35 3.23 3.01 -1.26 -5.01 119.74 119.41 1ttf s LYS 63 Ca 0.00 -1.42 -0.27 0.00 -1.01 0.00 0.00 55.97 53.27 1ttf s LYS 63 Cb 0.00 -0.76 -0.12 0.00 -1.01 0.00 0.00 37.83 35.94 1ttf s LYS 63 CO 0.00 -1.32 1.21 -2.30 0.51 0.00 0.00 175.35 173.45 1ttf n PRO 64 N 3.26 1.90 0.00 -1.68 -0.02 -1.26 -4.04 135.00 133.16 1ttf n PRO 64 Ca 0.21 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1ttf n PRO 64 Cb 0.50 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttf n GLY 65 N 0.89 1.86 3.82 -1.23 0.00 -0.49 -5.11 105.19 104.93 1ttf n GLY 65 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.00 -0.10 1.61 0.11 -0.90 -5.04 120.40 114.09 1ttf s VAL 66 Ca 0.00 -0.89 -0.27 0.00 -2.93 0.00 0.00 61.98 57.89 1ttf s VAL 66 Cb 0.00 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 1ttf s VAL 66 CO 0.00 0.00 0.90 -0.62 -3.33 0.00 0.00 175.10 172.05 1ttf s ASP 67 N -2.93 7.14 -0.09 3.54 -1.08 -1.26 -2.39 116.67 119.60 1ttf s ASP 67 Ca 0.11 1.39 0.03 0.00 -0.52 0.00 0.00 52.55 53.57 1ttf s ASP 67 Cb -0.04 -2.50 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1ttf s ASP 67 CO 0.05 -0.34 -0.19 -0.31 0.52 0.00 0.00 175.17 174.90 1ttf s TYR 68 N 1.67 2.62 -0.12 -5.34 2.02 0.54 -2.52 117.35 116.22 1ttf s TYR 68 Ca 0.44 -0.67 -0.05 0.00 -0.37 0.00 0.00 57.07 56.42 1ttf s TYR 68 Cb -0.18 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1ttf s TYR 68 CO 0.18 -0.19 0.07 0.99 -1.57 0.00 0.00 175.55 175.03 1ttf s THR 69 N 0.00 4.90 0.12 -0.71 2.01 0.70 -1.75 115.64 120.92 1ttf s THR 69 Ca -0.07 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.96 1ttf s THR 69 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1ttf s THR 69 CO 0.05 0.59 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.95 1ttf s ILE 70 N -0.75 1.07 -0.18 1.82 2.07 -1.07 -1.96 121.20 122.21 1ttf s ILE 70 Ca 0.12 -1.81 -0.07 0.00 -1.41 0.00 0.00 60.65 57.48 1ttf s ILE 70 Cb -0.12 -1.57 0.08 0.00 0.13 0.00 0.00 42.46 40.98 1ttf s ILE 70 CO 0.03 -0.61 0.40 -0.89 -1.91 0.00 0.00 174.94 171.95 1ttf s THR 71 N -2.75 -0.44 -0.08 4.00 2.01 -0.59 -2.23 115.64 115.55 1ttf s THR 71 Ca 0.10 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1ttf s THR 71 Cb -0.01 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1ttf s THR 71 CO 0.00 0.07 -0.16 0.68 -0.69 0.00 0.00 174.62 174.52 1ttf s VAL 72 N 2.23 2.88 -0.21 3.82 -7.23 -0.81 -1.79 120.40 119.29 1ttf s VAL 72 Ca -0.04 -0.76 -0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1ttf s VAL 72 Cb -0.11 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 1ttf s VAL 72 CO -0.12 0.56 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.85 1ttf s TYR 73 N -0.19 2.93 -0.46 2.82 1.51 -0.97 -2.69 117.35 120.30 1ttf s TYR 73 Ca -0.00 -0.95 -0.14 0.00 -1.01 0.00 0.00 57.07 54.97 1ttf s TYR 73 Cb -0.13 -2.06 0.07 0.00 -0.11 0.00 0.00 41.96 39.73 1ttf s TYR 73 CO 0.03 -0.52 0.36 0.00 -1.11 0.00 0.00 175.55 174.32 1ttf s ALA 74 N 1.31 3.49 -0.50 3.71 0.00 -1.26 -2.52 121.76 125.98 1ttf s ALA 74 Ca 0.04 -2.12 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 1ttf s ALA 74 Cb -0.14 -2.97 0.13 0.00 0.00 0.00 0.00 23.12 20.14 1ttf s ALA 74 CO -0.03 -1.71 0.40 0.08 0.00 0.00 0.00 175.76 174.50 1ttf s VAL 75 N 1.59 4.46 0.17 0.00 1.01 -1.00 -4.38 120.40 122.25 1ttf s VAL 75 Ca 0.04 -1.79 0.08 0.00 0.00 0.00 0.00 61.98 60.31 1ttf s VAL 75 Cb -0.24 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ttf s VAL 75 CO 0.06 -0.81 -0.08 0.42 0.00 0.00 0.00 175.10 174.69 1ttf s THR 76 N 1.32 3.29 0.00 3.92 -4.23 -1.26 -1.69 115.64 116.99 1ttf s THR 76 Ca 0.06 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1ttf s THR 76 Cb -0.26 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1ttf s THR 76 CO -0.00 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1ttf n GLY 77 N 0.07 2.09 0.08 3.99 0.00 -1.25 -4.20 105.19 105.97 1ttf n GLY 77 Ca -0.11 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.51 1.11 -0.65 1.61 5.12 -1.26 -4.65 116.66 117.43 1ttf n ARG 78 Ca 0.00 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1ttf n ARG 78 Cb 0.00 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ttf n GLY 79 N 0.92 0.67 1.57 -0.13 0.00 -1.26 -4.88 105.19 102.09 1ttf n GLY 79 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ttf n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ttf n ASP 80 N 0.08 0.01 -4.71 1.61 8.00 -1.26 -5.06 116.55 115.21 1ttf n ASP 80 Ca 0.00 0.01 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1ttf n ASP 80 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ttf s SER 81 N -4.44 6.98 0.17 -2.24 0.15 -1.26 -5.01 113.70 108.06 1ttf s SER 81 Ca 0.00 1.19 -0.32 0.00 0.70 0.00 0.00 55.95 57.52 1ttf s SER 81 Cb 0.00 -2.42 -0.11 0.00 -1.71 0.00 0.00 66.02 61.78 1ttf s SER 81 CO 0.00 -0.17 1.72 -2.16 1.20 0.00 0.00 173.24 173.83 1ttf s PRO 82 N 1.06 4.15 -0.24 5.44 0.04 -1.26 -4.46 135.00 139.72 1ttf s PRO 82 Ca 0.38 2.55 0.16 0.00 0.04 0.00 0.00 61.00 64.13 1ttf s PRO 82 Cb -0.18 -3.25 0.47 0.00 0.04 0.00 0.00 34.50 31.59 1ttf s PRO 82 CO 0.17 -0.75 1.16 0.00 0.04 0.00 0.00 177.00 177.62 1ttf n ALA 83 N 4.51 3.61 -1.68 8.56 0.00 -1.26 -5.08 120.51 129.18 1ttf n ALA 83 Ca 0.16 -3.17 -0.46 0.00 0.00 0.00 0.00 53.44 49.97 1ttf n ALA 83 Cb 0.37 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.58 3.33 0.00 0.00 2.88 -1.26 -4.62 113.62 113.36 1ttf n SER 84 Ca 0.22 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1ttf n SER 84 Cb 0.89 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 4.35 0.00 -3.23 -3.46 7.64 -1.26 -5.08 113.62 112.58 1ttf n SER 85 Ca 0.18 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.04 1ttf n SER 85 Cb 0.30 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.93 0.49 1.12 1.43 -2.85 -1.26 -5.14 119.74 114.45 1ttf s LYS 86 Ca 0.00 0.43 -0.15 0.00 -1.00 0.00 0.00 55.97 55.24 1ttf s LYS 86 Cb 0.00 0.00 0.18 0.00 -2.06 0.00 0.00 37.83 35.95 1ttf s LYS 86 CO 0.00 -0.97 0.51 -2.30 0.10 0.00 0.00 175.35 172.69 1ttf n PRO 87 N 5.39 -1.80 -3.72 1.78 -0.02 -1.26 -4.91 135.00 130.46 1ttf n PRO 87 Ca 0.02 -0.50 -0.14 0.00 -2.02 0.00 0.00 63.50 60.87 1ttf n PRO 87 Cb 0.52 -1.94 -0.09 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.34 0.03 0.00 4.25 2.07 -1.10 -5.05 121.20 119.07 1ttf s ILE 88 Ca 0.62 -0.26 -0.02 0.00 -1.41 0.00 0.00 60.65 59.57 1ttf s ILE 88 Cb -0.19 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 1ttf s ILE 88 CO 0.65 -0.14 0.03 -0.94 -1.91 0.00 0.00 174.94 172.63 1ttf s SER 89 N -0.81 0.09 0.01 4.50 1.04 -1.26 -1.92 113.70 115.35 1ttf s SER 89 Ca -0.09 -0.22 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 1ttf s SER 89 Cb -0.04 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.21 1ttf s SER 89 CO 0.04 -0.21 0.20 0.27 0.98 0.00 0.00 173.24 174.51 1ttf s ILE 90 N -0.90 0.09 0.39 -1.02 -4.36 -0.95 -5.01 121.20 109.44 1ttf s ILE 90 Ca -0.10 -0.72 -0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1ttf s ILE 90 Cb -0.06 -0.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.96 1ttf s ILE 90 CO -0.00 -0.40 0.62 0.54 0.24 0.00 0.00 174.94 175.94 1ttf s ASN 91 N -1.64 6.26 -0.25 4.36 4.22 -1.26 -2.58 114.94 124.04 1ttf s ASN 91 Ca -0.11 0.56 -0.26 0.00 -2.14 0.00 0.00 52.86 50.91 1ttf s ASN 91 Cb -0.05 -2.05 0.08 0.00 1.28 0.00 0.00 41.25 40.51 1ttf s ASN 91 CO 0.00 -0.39 0.77 -0.47 -2.04 0.00 0.00 177.10 174.97 1ttf s TYR 92 N -2.44 -0.72 -0.59 1.54 6.14 -0.72 -4.99 117.35 115.57 1ttf s TYR 92 Ca 0.42 1.72 -0.18 0.00 0.64 0.00 0.00 57.07 59.67 1ttf s TYR 92 Cb -0.10 0.30 0.11 0.00 0.42 0.00 0.00 41.96 42.69 1ttf s TYR 92 CO 0.38 -0.38 0.66 0.50 0.64 0.00 0.00 175.55 177.36 1ttf s ARG 93 N 0.19 3.05 0.00 4.97 3.52 -1.26 -0.34 118.95 129.08 1ttf s ARG 93 Ca -0.01 -1.44 0.05 0.00 -0.13 0.00 0.00 55.73 54.21 1ttf s ARG 93 Cb -0.04 -4.29 0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1ttf s ARG 93 CO 0.01 -1.49 0.67 0.25 -0.81 0.00 0.00 175.30 173.92