#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 3.17 -2.69 -1.34 3.41 -1.26 -4.81 113.62 110.11 1ttf n SER 2 Ca 0.00 0.78 -0.07 0.00 -0.26 0.00 0.00 58.87 59.32 1ttf n SER 2 Cb 0.00 -1.37 0.10 0.00 -0.26 0.00 0.00 64.21 62.68 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 7.85 -1.04 -4.60 4.04 8.00 -1.26 -5.11 116.55 124.43 1ttf n ASP 3 Ca 0.27 -2.49 -0.34 0.00 0.71 0.00 0.00 54.79 52.94 1ttf n ASP 3 Cb 0.30 0.61 -0.11 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.65 4.12 0.00 2.53 1.01 -1.26 -4.73 120.40 121.41 1ttf s VAL 4 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1ttf s VAL 4 Cb 0.42 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1ttf s VAL 4 CO -0.06 0.55 0.00 -2.65 0.00 0.00 0.00 175.10 172.94 1ttf n PRO 5 N 2.77 -0.73 -3.71 2.72 -0.01 -1.26 -4.99 135.00 129.80 1ttf n PRO 5 Ca -0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 63.50 63.27 1ttf n PRO 5 Cb 0.53 0.00 -0.01 0.00 -0.01 0.00 0.00 33.50 34.01 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 175.50 174.51 1ttf s ARG 6 N -1.85 1.11 0.00 -0.52 1.70 -1.26 -5.05 118.95 113.08 1ttf s ARG 6 Ca 0.00 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 1ttf s ARG 6 Cb 0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1ttf s ARG 6 CO 0.00 -0.51 0.00 -0.40 -1.08 0.00 0.00 175.30 173.31 1ttf n ASP 7 N -0.43 0.00 -4.61 -2.89 5.68 -1.26 -4.30 116.55 108.74 1ttf n ASP 7 Ca -0.07 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.86 1ttf n ASP 7 Cb 0.61 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.49 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ttf s LEU 8 N -0.31 3.96 0.26 -2.12 1.02 -1.26 -4.56 118.68 115.67 1ttf s LEU 8 Ca 0.00 0.03 -0.21 0.00 0.02 0.00 0.00 54.13 53.97 1ttf s LEU 8 Cb 0.00 -2.07 0.04 0.00 0.02 0.00 0.00 46.19 44.18 1ttf s LEU 8 CO 0.00 0.03 0.79 -0.70 0.02 0.00 0.00 176.35 176.50 1ttf s GLU 9 N 1.24 1.69 -0.07 1.70 2.56 -1.07 -5.04 118.70 119.72 1ttf s GLU 9 Ca 0.07 -0.96 -0.24 0.00 0.00 0.00 0.00 54.97 53.84 1ttf s GLU 9 Cb -0.14 0.56 -0.04 0.00 2.00 0.00 0.00 34.13 36.51 1ttf s GLU 9 CO 0.06 -0.78 0.71 0.08 -0.56 0.00 0.00 175.26 174.77 1ttf s VAL 10 N -3.53 5.04 -0.13 3.70 1.01 -1.26 -2.20 120.40 123.03 1ttf s VAL 10 Ca 0.12 1.46 0.19 0.00 0.00 0.00 0.00 61.98 63.75 1ttf s VAL 10 Cb -0.05 -4.05 -0.22 0.00 0.00 0.00 0.00 36.38 32.07 1ttf s VAL 10 CO 0.06 0.25 0.53 0.52 0.00 0.00 0.00 175.10 176.46 1ttf n VAL 11 N 3.80 0.90 -3.78 2.92 0.31 -0.85 -4.97 118.33 116.65 1ttf n VAL 11 Ca -0.01 -0.68 -0.03 0.00 -0.01 0.00 0.00 64.34 63.61 1ttf n VAL 11 Cb 0.51 -0.44 -0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 -2.98 -1.67 -0.29 3.52 0.00 -1.18 -5.05 121.76 114.10 1ttf s ALA 12 Ca -0.06 0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1ttf s ALA 12 Cb 0.09 0.65 0.18 0.00 0.00 0.00 0.00 23.12 24.04 1ttf s ALA 12 CO 0.84 -1.05 0.48 0.00 0.00 0.00 0.00 175.76 176.03 1ttf s ALA 13 N -2.88 -1.69 0.82 0.00 0.00 -1.26 -2.33 121.76 114.41 1ttf s ALA 13 Ca 0.15 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1ttf s ALA 13 Cb -0.01 -2.26 0.08 0.00 0.00 0.00 0.00 23.12 20.93 1ttf s ALA 13 CO 0.03 -1.78 1.09 0.95 0.00 0.00 0.00 175.76 176.05 1ttf s THR 14 N 2.66 3.10 -0.87 0.00 -4.23 0.17 -4.82 115.64 111.64 1ttf s THR 14 Ca 0.10 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1ttf s THR 14 Cb -0.11 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1ttf s THR 14 CO -0.28 -0.47 0.72 -2.65 -0.54 0.00 0.00 174.62 171.40 1ttf n PRO 15 N -3.63 0.00 -1.99 3.99 -0.02 -1.26 -2.15 135.00 129.95 1ttf n PRO 15 Ca 0.08 0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1ttf n PRO 15 Cb 0.54 -1.61 0.05 0.00 -0.02 0.00 0.00 33.50 32.46 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ttf n THR 16 N -1.22 0.00 -3.47 3.45 -1.04 -1.26 -5.09 114.28 105.65 1ttf n THR 16 Ca 0.00 -0.59 0.01 0.00 -2.04 0.00 0.00 64.05 61.43 1ttf n THR 16 Cb 0.11 0.79 -0.04 0.00 -1.82 0.00 0.00 70.33 69.38 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ttf s SER 17 N -1.06 -0.71 -0.23 8.00 1.04 -0.91 -4.17 113.70 115.65 1ttf s SER 17 Ca 0.05 0.98 -0.14 0.00 0.48 0.00 0.00 55.95 57.33 1ttf s SER 17 Cb 0.27 1.80 -0.04 0.00 0.10 0.00 0.00 66.02 68.14 1ttf s SER 17 CO -0.08 -0.14 0.30 -0.22 0.98 0.00 0.00 173.24 174.09 1ttf s LEU 18 N 2.52 4.11 -0.31 2.42 2.96 0.14 0.41 118.68 130.94 1ttf s LEU 18 Ca -0.04 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1ttf s LEU 18 Cb -0.07 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1ttf s LEU 18 CO -0.18 -0.05 0.12 -0.22 -1.32 0.00 0.00 176.35 174.70 1ttf s LEU 19 N 1.41 4.04 0.41 -0.68 0.20 -0.99 -1.05 118.68 122.02 1ttf s LEU 19 Ca 0.14 -0.67 0.08 0.00 0.69 0.00 0.00 54.13 54.36 1ttf s LEU 19 Cb -0.15 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1ttf s LEU 19 CO 0.07 -0.21 0.35 0.27 -0.29 0.00 0.00 176.35 176.54 1ttf s ILE 20 N 1.55 2.71 -0.25 6.68 -4.36 -0.52 -2.01 121.20 124.99 1ttf s ILE 20 Ca 0.03 -1.38 -0.23 0.00 -0.26 0.00 0.00 60.65 58.81 1ttf s ILE 20 Cb -0.17 -3.02 0.07 0.00 1.25 0.00 0.00 42.46 40.59 1ttf s ILE 20 CO 0.04 -0.02 0.67 -0.94 0.24 0.00 0.00 174.94 174.93 1ttf s SER 21 N -4.09 -0.71 0.00 4.36 1.04 -0.94 -2.55 113.70 110.81 1ttf s SER 21 Ca 0.47 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1ttf s SER 21 Cb -0.03 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.46 1ttf s SER 21 CO 0.27 -0.23 0.00 -2.67 0.98 0.00 0.00 173.24 171.59 1ttf n TRP 22 N 2.79 0.00 -3.91 5.02 2.14 -0.49 -2.60 117.44 120.39 1ttf n TRP 22 Ca -0.14 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.33 1ttf n TRP 22 Cb 0.55 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.04 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 0.10 -0.06 -0.67 2.15 -1.26 -4.84 116.67 113.09 1ttf s ASP 23 Ca 0.00 -1.04 -0.02 0.00 0.43 0.00 0.00 52.55 51.91 1ttf s ASP 23 Cb 0.00 0.73 0.04 0.00 -0.30 0.00 0.00 42.92 43.39 1ttf s ASP 23 CO 0.00 -1.42 0.12 0.00 -0.17 0.00 0.00 175.17 173.70 1ttf s ALA 24 N -3.19 -0.13 1.02 3.66 0.00 -1.26 -4.82 121.76 117.04 1ttf s ALA 24 Ca 0.19 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 1ttf s ALA 24 Cb -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.59 1ttf s ALA 24 CO 0.12 -0.28 0.07 -0.35 0.00 0.00 0.00 175.76 175.32 1ttf n PRO 25 N 4.59 -2.18 0.04 0.00 -0.04 -1.26 -4.90 135.00 131.26 1ttf n PRO 25 Ca -0.19 -0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.27 1ttf n PRO 25 Cb 0.51 -0.16 0.31 0.00 -0.04 0.00 0.00 33.50 34.12 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 -3.19 2.87 -1.77 0.55 0.00 -1.26 -4.87 120.51 112.84 1ttf n ALA 26 Ca -0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 1ttf n ALA 26 Cb 0.05 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.08 2.10 -0.84 0.00 -7.23 -1.26 -4.75 120.40 105.34 1ttf s VAL 27 Ca 0.10 0.09 -0.22 0.00 -1.81 0.00 0.00 61.98 60.14 1ttf s VAL 27 Cb 0.15 -3.06 -0.19 0.00 0.56 0.00 0.00 36.38 33.85 1ttf s VAL 27 CO 0.66 0.02 2.35 0.41 -0.31 0.00 0.00 175.10 178.22 1ttf n THR 28 N 0.01 0.00 -2.46 5.32 -1.04 -1.26 -4.85 114.28 110.00 1ttf n THR 28 Ca 0.04 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 1ttf n THR 28 Cb 0.41 -1.49 -0.02 0.00 -1.82 0.00 0.00 70.33 67.41 1ttf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ttf s VAL 29 N 11.18 4.20 0.01 12.58 1.01 -1.26 -4.81 120.40 143.31 1ttf s VAL 29 Ca 1.03 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 64.10 1ttf s VAL 29 Cb -0.31 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 31.72 1ttf s VAL 29 CO 0.20 -0.48 1.15 0.03 0.00 0.00 0.00 175.10 176.00 1ttf h ARG 30 N 9.09 -0.71 -2.45 2.72 3.08 -1.77 -3.44 114.38 120.90 1ttf h ARG 30 Ca -0.25 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.00 1ttf h ARG 30 Cb 1.09 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 31.22 1ttf h ARG 30 CO 1.03 -0.40 0.44 1.52 -1.07 0.00 0.00 179.97 181.49 1ttf s TYR 31 N -4.66 -0.16 0.10 3.04 -0.85 -1.08 -4.28 117.35 109.45 1ttf s TYR 31 Ca -0.14 -0.15 0.09 0.00 -0.52 0.00 0.00 57.07 56.35 1ttf s TYR 31 Cb 0.02 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 1ttf s TYR 31 CO 0.47 -0.87 -0.24 0.71 -1.52 0.00 0.00 175.55 174.10 1ttf s TYR 32 N -3.38 2.04 -0.24 -3.49 2.02 -0.42 -2.22 117.35 111.65 1ttf s TYR 32 Ca 0.11 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1ttf s TYR 32 Cb -0.02 -1.13 0.07 0.00 -0.40 0.00 0.00 41.96 40.47 1ttf s TYR 32 CO 0.02 0.23 -0.03 1.03 -1.57 0.00 0.00 175.55 175.23 1ttf s ARG 33 N -1.79 1.44 -0.21 -0.62 0.52 -0.98 -1.59 118.95 115.73 1ttf s ARG 33 Ca 0.10 -0.99 -0.09 0.00 -0.52 0.00 0.00 55.73 54.22 1ttf s ARG 33 Cb -0.10 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 1ttf s ARG 33 CO 0.04 -0.65 0.12 0.42 0.02 0.00 0.00 175.30 175.25 1ttf s ILE 34 N 1.43 5.23 -0.01 1.52 1.09 -0.50 -1.35 121.20 128.61 1ttf s ILE 34 Ca -0.03 0.13 0.04 0.00 -1.10 0.00 0.00 60.65 59.69 1ttf s ILE 34 Cb -0.19 -3.39 -0.01 0.00 -1.06 0.00 0.00 42.46 37.81 1ttf s ILE 34 CO -0.08 0.42 -0.15 0.42 -0.10 0.00 0.00 174.94 175.46 1ttf s THR 35 N 0.54 1.16 0.16 2.92 -4.23 -0.54 -1.39 115.64 114.27 1ttf s THR 35 Ca 0.07 -0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 59.92 1ttf s THR 35 Cb -0.12 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 1ttf s THR 35 CO 0.00 0.33 0.14 -0.72 -0.54 0.00 0.00 174.62 173.83 1ttf s TYR 36 N -0.32 0.83 0.00 3.99 1.13 -0.83 -1.34 117.35 120.81 1ttf s TYR 36 Ca 0.05 -1.16 0.00 0.00 -1.41 0.00 0.00 57.07 54.55 1ttf s TYR 36 Cb -0.06 -0.39 0.00 0.00 -1.10 0.00 0.00 41.96 40.41 1ttf s TYR 36 CO -0.00 -0.61 0.00 0.41 -2.51 0.00 0.00 175.55 172.84 1ttf n GLY 37 N -0.17 2.71 3.41 5.49 0.00 -1.00 -1.46 105.19 114.16 1ttf n GLY 37 Ca -0.04 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.80 -0.16 -1.90 1.61 1.02 -1.26 -2.16 120.64 116.99 1ttf n GLU 38 Ca 0.00 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1ttf n GLU 38 Cb 0.00 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 1ttf n GLU 38 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ttf s THR 39 N -2.28 3.31 0.00 2.62 2.01 -1.19 -4.37 115.64 115.73 1ttf s THR 39 Ca 0.58 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1ttf s THR 39 Cb -0.24 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1ttf s THR 39 CO 0.66 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1ttf n GLY 40 N 5.66 0.09 2.75 4.40 0.00 -1.26 -5.01 105.19 111.81 1ttf n GLY 40 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.67 2.67 0.14 -0.02 0.00 -1.26 -4.71 105.19 101.34 1ttf n GLY 41 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 1.46 -3.00 1.61 4.13 -1.26 -4.87 115.26 113.32 1ttf n ASN 42 Ca 0.00 -2.33 -0.17 0.00 1.68 0.00 0.00 54.58 53.76 1ttf n ASN 42 Cb 0.00 -0.22 -0.02 0.00 -1.54 0.00 0.00 39.78 38.00 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ttf n SER 43 N -0.72 -1.20 -4.65 6.41 3.41 -1.26 -5.11 113.62 110.50 1ttf n SER 43 Ca 0.07 -2.94 -0.43 0.00 -0.26 0.00 0.00 58.87 55.31 1ttf n SER 43 Cb 0.54 0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.91 1ttf n SER 43 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ttf s PRO 44 N -0.32 4.08 0.08 4.33 0.04 -1.26 -4.41 135.00 137.54 1ttf s PRO 44 Ca 0.34 1.92 -0.33 0.00 0.04 0.00 0.00 61.00 62.96 1ttf s PRO 44 Cb 0.19 -3.95 -0.17 0.00 0.04 0.00 0.00 34.50 30.61 1ttf s PRO 44 CO -0.17 -0.95 1.61 0.28 0.04 0.00 0.00 177.00 177.81 1ttf h VAL 45 N 5.73 0.24 -2.35 -0.36 2.07 -1.59 -3.48 116.25 116.51 1ttf h VAL 45 Ca -0.35 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.43 1ttf h VAL 45 Cb 1.15 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1ttf h VAL 45 CO 0.97 0.00 0.76 -1.58 0.02 0.00 0.00 177.57 177.74 1ttf s GLN 46 N -6.01 0.83 0.03 1.57 0.74 -1.11 -5.04 119.66 110.66 1ttf s GLN 46 Ca -0.18 -0.54 -0.27 0.00 0.05 0.00 0.00 55.36 54.42 1ttf s GLN 46 Cb 0.04 0.23 0.09 0.00 1.10 0.00 0.00 33.01 34.47 1ttf s GLN 46 CO 0.62 -0.39 0.79 -1.83 -0.55 0.00 0.00 175.29 173.93 1ttf s GLU 47 N -2.05 0.97 0.11 1.67 -1.05 -1.26 -1.96 118.70 115.13 1ttf s GLU 47 Ca 0.27 -0.28 -0.24 0.00 -0.15 0.00 0.00 54.97 54.57 1ttf s GLU 47 Cb -0.02 0.45 0.07 0.00 -0.44 0.00 0.00 34.13 34.19 1ttf s GLU 47 CO 0.02 -0.41 0.60 -0.59 0.95 0.00 0.00 175.26 175.83 1ttf s PHE 48 N -3.01 -0.53 0.39 4.83 -0.71 -0.48 -5.00 117.98 113.46 1ttf s PHE 48 Ca 0.02 0.47 0.08 0.00 -1.04 0.00 0.00 56.93 56.46 1ttf s PHE 48 Cb -0.01 0.49 -0.07 0.00 -1.21 0.00 0.00 43.02 42.22 1ttf s PHE 48 CO -0.08 -0.77 -0.02 -0.08 -1.34 0.00 0.00 175.22 172.93 1ttf s THR 49 N -3.13 2.09 0.08 -4.49 -1.32 -1.26 -1.41 115.64 106.21 1ttf s THR 49 Ca -0.02 -2.05 -0.10 0.00 -1.21 0.00 0.00 61.69 58.31 1ttf s THR 49 Cb -0.01 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1ttf s THR 49 CO -0.07 -0.06 0.21 0.68 -2.21 0.00 0.00 174.62 173.17 1ttf s VAL 50 N -2.67 0.13 -1.46 5.08 -7.23 -0.62 -4.97 120.40 108.65 1ttf s VAL 50 Ca 0.34 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1ttf s VAL 50 Cb 0.07 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.78 1ttf s VAL 50 CO 0.18 -0.58 0.06 -0.81 -0.31 0.00 0.00 175.10 173.64 1ttf n PRO 51 N 0.08 0.09 -0.64 4.82 -0.04 -1.26 -1.30 135.00 136.75 1ttf n PRO 51 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ttf n PRO 51 Cb 0.62 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 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 0.06 0.00 0.21 0.55 0.00 -1.26 -4.48 105.19 100.27 1ttf n GLY 52 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.48 -3.13 1.61 0.02 -1.88 -3.41 113.55 107.23 1ttf h SER 53 Ca 0.00 -0.23 -0.67 0.00 -0.84 0.00 0.00 61.79 60.05 1ttf h SER 53 Cb 0.57 -0.14 -0.34 0.00 0.14 0.00 0.00 62.40 62.63 1ttf h SER 53 CO 0.00 0.87 -0.85 -0.54 -1.14 0.00 0.00 176.83 175.17 1ttf s LYS 54 N -4.10 3.03 0.00 3.45 1.02 -1.26 -5.00 119.74 116.88 1ttf s LYS 54 Ca -0.06 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 1ttf s LYS 54 Cb 0.12 -2.56 -0.18 0.00 -0.52 0.00 0.00 37.83 34.70 1ttf s LYS 54 CO 0.81 -0.14 3.03 0.43 -0.92 0.00 0.00 175.35 178.56 1ttf n SER 55 N 4.45 5.19 -3.97 2.83 7.64 -1.26 -4.79 113.62 123.71 1ttf n SER 55 Ca -0.20 -2.44 -0.09 0.00 1.01 0.00 0.00 58.87 57.15 1ttf n SER 55 Cb 0.51 -1.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.30 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 0.70 0.12 0.12 0.44 -4.23 -1.26 -1.39 115.64 110.13 1ttf s THR 56 Ca 0.44 -0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 59.79 1ttf s THR 56 Cb 0.21 -0.46 0.04 0.00 1.34 0.00 0.00 72.50 73.63 1ttf s THR 56 CO 0.00 -0.54 0.45 0.00 -0.54 0.00 0.00 174.62 174.00 1ttf s ALA 57 N -1.77 -1.10 0.05 3.99 0.00 -1.06 -5.02 121.76 116.85 1ttf s ALA 57 Ca -0.13 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1ttf s ALA 57 Cb -0.07 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1ttf s ALA 57 CO -0.02 -0.64 -0.11 -0.08 0.00 0.00 0.00 175.76 174.91 1ttf s THR 58 N -3.59 0.84 0.02 0.00 -1.32 -1.26 -1.44 115.64 108.89 1ttf s THR 58 Ca 0.01 -1.12 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1ttf s THR 58 Cb 0.01 -0.84 -0.02 0.00 -1.51 0.00 0.00 72.50 70.15 1ttf s THR 58 CO -0.11 -0.24 -0.04 -0.63 -2.21 0.00 0.00 174.62 171.39 1ttf s ILE 59 N -1.20 0.27 0.04 5.08 1.01 -0.22 -4.97 121.20 121.21 1ttf s ILE 59 Ca -0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 1ttf s ILE 59 Cb -0.09 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1ttf s ILE 59 CO 0.01 -0.29 -0.04 -0.44 0.00 0.00 0.00 174.94 174.18 1ttf s SER 60 N -1.06 0.46 0.00 3.58 0.01 -1.26 0.27 113.70 115.70 1ttf s SER 60 Ca -0.09 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1ttf s SER 60 Cb -0.07 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1ttf s SER 60 CO -0.00 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1ttf n GLY 61 N 0.77 0.89 0.00 3.44 0.00 -1.26 -5.04 105.19 103.99 1ttf n GLY 61 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.15 0.99 -0.00 -1.26 -5.11 117.00 108.47 1ttf n LEU 62 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 1ttf n LEU 62 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ttf n LEU 62 CO 0.00 0.00 0.23 -1.59 -0.00 0.00 0.00 177.39 176.03 1ttf s LYS 63 N 0.38 0.46 0.87 1.47 0.00 -1.26 -5.09 119.74 116.56 1ttf s LYS 63 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 55.97 56.44 1ttf s LYS 63 Cb 0.00 0.30 0.12 0.00 0.00 0.00 0.00 37.83 38.25 1ttf s LYS 63 CO 0.00 -0.73 1.16 -2.14 0.00 0.00 0.00 175.35 173.64 1ttf s PRO 64 N 2.87 1.28 0.00 1.78 0.02 -1.26 -4.30 135.00 135.38 1ttf s PRO 64 Ca 0.15 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1ttf s PRO 64 Cb -0.10 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1ttf s PRO 64 CO -0.23 -2.45 0.00 0.41 -0.33 0.00 0.00 177.00 174.40 1ttf n GLY 65 N 0.22 1.33 3.52 0.52 0.00 -0.46 -5.08 105.19 105.24 1ttf n GLY 65 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.07 0.00 -0.28 1.61 0.11 -0.95 -5.06 120.40 113.76 1ttf s VAL 66 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1ttf s VAL 66 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1ttf s VAL 66 CO 0.00 0.00 1.50 -0.62 -3.33 0.00 0.00 175.10 172.65 1ttf s ASP 67 N -1.80 6.42 0.06 3.54 2.15 -1.26 -2.43 116.67 123.35 1ttf s ASP 67 Ca -0.01 1.34 0.03 0.00 0.43 0.00 0.00 52.55 54.34 1ttf s ASP 67 Cb -0.01 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1ttf s ASP 67 CO -0.02 -1.27 0.01 -0.31 -0.17 0.00 0.00 175.17 173.41 1ttf s TYR 68 N 5.12 3.05 -0.01 -5.34 2.02 0.06 -3.18 117.35 119.07 1ttf s TYR 68 Ca 0.66 0.02 0.07 0.00 -0.37 0.00 0.00 57.07 57.45 1ttf s TYR 68 Cb -0.20 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1ttf s TYR 68 CO 0.28 0.48 -0.22 0.99 -1.57 0.00 0.00 175.55 175.51 1ttf s THR 69 N -1.25 1.75 0.06 -0.71 2.01 -0.92 -1.17 115.64 115.42 1ttf s THR 69 Ca 0.24 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1ttf s THR 69 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1ttf s THR 69 CO 0.16 0.48 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.93 1ttf s ILE 70 N -0.53 1.07 -0.03 1.82 2.07 -1.08 -2.39 121.20 122.13 1ttf s ILE 70 Ca 0.09 -1.19 -0.01 0.00 -1.41 0.00 0.00 60.65 58.12 1ttf s ILE 70 Cb -0.09 -1.02 0.03 0.00 0.13 0.00 0.00 42.46 41.52 1ttf s ILE 70 CO -0.01 -0.16 0.06 -0.89 -1.91 0.00 0.00 174.94 172.03 1ttf s THR 71 N -1.14 -0.09 -0.11 4.00 2.01 -0.45 -2.09 115.64 117.76 1ttf s THR 71 Ca -0.01 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.31 1ttf s THR 71 Cb -0.09 -0.13 -0.00 0.00 0.01 0.00 0.00 72.50 72.28 1ttf s THR 71 CO 0.02 0.12 -0.20 0.68 -0.69 0.00 0.00 174.62 174.55 1ttf s VAL 72 N 1.53 2.43 -0.39 3.82 -7.23 -0.86 -1.46 120.40 118.23 1ttf s VAL 72 Ca -0.04 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.17 1ttf s VAL 72 Cb -0.12 -1.97 0.06 0.00 0.56 0.00 0.00 36.38 34.91 1ttf s VAL 72 CO -0.03 0.55 0.20 -0.31 -0.31 0.00 0.00 175.10 175.19 1ttf s TYR 73 N 0.37 3.31 -0.53 2.82 1.51 -0.45 -2.66 117.35 121.72 1ttf s TYR 73 Ca -0.15 -1.47 -0.28 0.00 -1.01 0.00 0.00 57.07 54.16 1ttf s TYR 73 Cb -0.17 -2.69 0.03 0.00 -0.11 0.00 0.00 41.96 39.01 1ttf s TYR 73 CO 0.07 -0.79 1.11 0.00 -1.11 0.00 0.00 175.55 174.83 1ttf s ALA 74 N 1.42 3.10 -0.36 3.71 0.00 -1.26 -2.33 121.76 126.04 1ttf s ALA 74 Ca 0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 1ttf s ALA 74 Cb -0.21 -3.90 -0.00 0.00 0.00 0.00 0.00 23.12 19.00 1ttf s ALA 74 CO 0.03 -2.42 0.25 0.08 0.00 0.00 0.00 175.76 173.70 1ttf s VAL 75 N 4.51 5.22 0.08 0.00 1.01 -0.94 -3.53 120.40 126.74 1ttf s VAL 75 Ca 0.42 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1ttf s VAL 75 Cb -0.08 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ttf s VAL 75 CO 0.27 -0.10 0.00 0.41 0.00 0.00 0.00 175.10 175.68 1ttf n THR 76 N 5.11 0.32 -1.85 3.92 -1.04 -1.23 -2.64 114.28 116.87 1ttf n THR 76 Ca -0.12 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1ttf n THR 76 Cb 0.49 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 77 N 2.50 -5.15 0.00 3.41 0.00 -1.24 -4.63 105.19 100.09 1ttf n GLY 77 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ttf n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ttf n ARG 78 N 1.62 0.00 -0.18 1.61 1.85 -1.26 -5.00 116.66 115.29 1ttf n ARG 78 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ttf n ARG 78 Cb 0.00 -0.16 0.00 0.00 -1.05 0.00 0.00 32.46 31.25 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ttf n GLY 79 N 2.50 0.51 1.83 2.89 0.00 -1.26 -5.04 105.19 106.62 1ttf n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -4.73 1.61 2.03 -1.26 -5.12 116.55 109.08 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 0.26 0.11 0.13 0.00 -0.72 0.00 0.00 41.12 40.89 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 -2.92 3.74 1.13 1.67 1.04 -1.26 -4.99 113.70 112.11 1ttf s SER 81 Ca 0.00 1.69 -0.14 0.00 0.48 0.00 0.00 55.95 57.98 1ttf s SER 81 Cb 0.00 -2.35 0.21 0.00 0.10 0.00 0.00 66.02 63.98 1ttf s SER 81 CO 0.00 -2.50 0.68 -2.65 0.98 0.00 0.00 173.24 169.74 1ttf n PRO 82 N -3.81 -1.96 0.28 4.02 -0.01 -1.26 -4.55 135.00 127.70 1ttf n PRO 82 Ca 0.08 -0.54 0.13 0.00 -0.01 0.00 0.00 63.50 63.15 1ttf n PRO 82 Cb 0.54 -2.02 0.81 0.00 -0.01 0.00 0.00 33.50 32.82 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1ttf h ALA 83 N -2.39 1.63 -1.86 3.55 0.00 -1.95 -3.40 119.26 114.83 1ttf h ALA 83 Ca -0.57 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 1ttf h ALA 83 Cb 1.33 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1ttf h ALA 83 CO 0.44 0.03 1.33 0.45 0.00 0.00 0.00 179.25 181.50 1ttf s SER 84 N -6.43 5.74 0.00 0.00 0.15 -1.26 -3.49 113.70 108.41 1ttf s SER 84 Ca -0.05 1.36 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1ttf s SER 84 Cb 0.15 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1ttf s SER 84 CO 0.59 -1.82 0.00 -1.54 1.20 0.00 0.00 173.24 171.67 1ttf n SER 85 N 10.83 0.00 -3.10 5.45 3.41 -1.23 -4.92 113.62 124.05 1ttf n SER 85 Ca 0.24 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.65 1ttf n SER 85 Cb 0.47 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1ttf n SER 85 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ttf n LYS 86 N -0.22 0.72 -1.72 4.33 5.02 -1.26 -5.10 118.16 119.93 1ttf n LYS 86 Ca 0.00 -2.92 -0.37 0.00 -2.02 0.00 0.00 58.31 52.99 1ttf n LYS 86 Cb 0.00 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ttf n PRO 87 N 1.47 1.19 -3.79 1.97 -0.02 -1.26 -4.76 135.00 129.80 1ttf n PRO 87 Ca 0.19 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1ttf n PRO 87 Cb 0.55 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.38 0.09 0.00 4.25 1.10 -1.09 -5.04 121.20 119.15 1ttf s ILE 88 Ca 0.81 -0.97 -0.06 0.00 -0.51 0.00 0.00 60.65 59.92 1ttf s ILE 88 Cb -0.39 -1.39 -0.00 0.00 0.15 0.00 0.00 42.46 40.83 1ttf s ILE 88 CO 0.42 -0.43 0.11 -0.94 -2.11 0.00 0.00 174.94 171.99 1ttf s SER 89 N -2.86 0.05 -0.04 4.50 1.04 -1.26 -2.03 113.70 113.10 1ttf s SER 89 Ca 0.07 -0.22 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 1ttf s SER 89 Cb 0.03 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1ttf s SER 89 CO -0.09 -0.33 0.23 0.27 0.98 0.00 0.00 173.24 174.30 1ttf s ILE 90 N -1.25 0.04 0.45 -1.02 -4.36 -0.89 -5.02 121.20 109.15 1ttf s ILE 90 Ca -0.13 -0.37 -0.04 0.00 -0.26 0.00 0.00 60.65 59.85 1ttf s ILE 90 Cb -0.07 -0.45 -0.03 0.00 1.25 0.00 0.00 42.46 43.15 1ttf s ILE 90 CO 0.01 -0.20 0.72 0.21 0.24 0.00 0.00 174.94 175.92 1ttf s ASN 91 N -0.80 6.26 -0.28 4.36 2.47 -1.26 -2.63 114.94 123.05 1ttf s ASN 91 Ca -0.09 0.79 -0.25 0.00 0.42 0.00 0.00 52.86 53.73 1ttf s ASN 91 Cb -0.05 -2.18 0.15 0.00 -1.45 0.00 0.00 41.25 37.72 1ttf s ASN 91 CO 0.02 -0.51 1.18 -0.47 -3.72 0.00 0.00 177.10 173.60 1ttf s TYR 92 N -2.63 -0.32 -0.40 0.43 5.04 -0.31 -4.98 117.35 114.18 1ttf s TYR 92 Ca 0.45 0.76 -0.24 0.00 -2.44 0.00 0.00 57.07 55.61 1ttf s TYR 92 Cb -0.10 0.41 0.02 0.00 0.35 0.00 0.00 41.96 42.64 1ttf s TYR 92 CO 0.42 -0.16 0.81 0.50 -1.34 0.00 0.00 175.55 175.79 1ttf s ARG 93 N 0.10 3.62 0.00 4.97 3.52 -1.26 -0.76 118.95 129.14 1ttf s ARG 93 Ca 0.05 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 1ttf s ARG 93 Cb -0.05 -3.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 1ttf s ARG 93 CO -0.09 -0.98 0.48 2.41 -0.81 0.00 0.00 175.30 176.30