#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 -3.77 -1.51 6.55 7.64 -1.26 -4.51 113.62 116.75 1ttf n SER 2 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1ttf n SER 2 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1ttf n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ttf n ASP 3 N -3.31 1.59 -4.76 6.43 -0.08 -1.26 -5.09 116.55 110.08 1ttf n ASP 3 Ca 0.00 -2.65 -0.39 0.00 -1.51 0.00 0.00 54.79 50.25 1ttf n ASP 3 Cb 0.00 -0.39 0.02 0.00 2.34 0.00 0.00 41.12 43.09 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ttf s VAL 4 N -1.81 2.25 1.12 5.18 1.01 -1.26 -4.86 120.40 122.02 1ttf s VAL 4 Ca 0.35 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 1ttf s VAL 4 Cb 0.38 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.73 1ttf s VAL 4 CO -0.11 0.01 -0.11 -2.65 0.00 0.00 0.00 175.10 172.24 1ttf n PRO 5 N -0.66 -1.52 -3.77 2.72 -0.02 -1.26 -5.02 135.00 125.47 1ttf n PRO 5 Ca 0.08 -0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.15 1ttf n PRO 5 Cb 0.44 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 -3.34 0.45 -0.38 -0.52 1.70 -1.26 -5.01 118.95 110.58 1ttf s ARG 6 Ca 0.55 -0.27 -0.02 0.00 -0.47 0.00 0.00 55.73 55.52 1ttf s ARG 6 Cb -0.10 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 1ttf s ARG 6 CO 0.66 -0.21 0.25 -3.47 -1.08 0.00 0.00 175.30 171.45 1ttf n ASP 7 N -0.74 -2.99 -4.56 -2.89 2.03 -1.26 -1.57 116.55 104.57 1ttf n ASP 7 Ca -0.04 -0.11 -0.43 0.00 0.52 0.00 0.00 54.79 54.73 1ttf n ASP 7 Cb 0.61 -1.69 -0.05 0.00 -0.72 0.00 0.00 41.12 39.27 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ttf s LEU 8 N -2.45 4.12 0.09 -2.67 1.02 -1.26 -4.11 118.68 113.42 1ttf s LEU 8 Ca 0.12 0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.34 1ttf s LEU 8 Cb -0.05 -3.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.03 1ttf s LEU 8 CO 0.15 -0.95 0.00 -0.70 0.02 0.00 0.00 176.35 174.88 1ttf s GLU 9 N 3.47 0.78 -0.57 1.70 2.56 -1.00 -5.01 118.70 120.62 1ttf s GLU 9 Ca 0.33 -1.33 -0.20 0.00 0.00 0.00 0.00 54.97 53.77 1ttf s GLU 9 Cb -0.11 0.17 0.08 0.00 2.00 0.00 0.00 34.13 36.26 1ttf s GLU 9 CO 0.23 -0.16 0.75 0.08 -0.56 0.00 0.00 175.26 175.60 1ttf s VAL 10 N -3.94 4.71 -2.00 3.70 1.01 -1.26 -2.50 120.40 120.12 1ttf s VAL 10 Ca 0.15 -0.61 0.12 0.00 0.00 0.00 0.00 61.98 61.65 1ttf s VAL 10 Cb 0.08 -4.47 0.35 0.00 0.00 0.00 0.00 36.38 32.34 1ttf s VAL 10 CO -0.04 -1.09 1.20 0.52 0.00 0.00 0.00 175.10 175.69 1ttf n VAL 11 N 5.70 0.00 0.00 2.92 0.31 0.97 -4.82 118.33 123.41 1ttf n VAL 11 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ttf n VAL 11 Cb 0.44 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf n ALA 12 N -0.83 0.00 -3.35 3.52 0.00 -1.16 -4.90 120.51 113.80 1ttf n ALA 12 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1ttf n ALA 12 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1ttf n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ttf s ALA 13 N -2.00 -0.73 0.45 0.00 0.00 -1.26 -2.48 121.76 115.74 1ttf s ALA 13 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1ttf s ALA 13 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1ttf s ALA 13 CO 0.00 -2.00 0.69 0.95 0.00 0.00 0.00 175.76 175.41 1ttf s THR 14 N 1.83 4.46 -2.00 0.00 -4.23 0.17 -4.93 115.64 110.95 1ttf s THR 14 Ca 0.14 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1ttf s THR 14 Cb -0.14 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1ttf s THR 14 CO -0.14 -0.53 0.21 -0.81 -0.54 0.00 0.00 174.62 172.81 1ttf n PRO 15 N -2.11 0.19 -0.69 3.99 -0.04 -1.26 -2.50 135.00 132.59 1ttf n PRO 15 Ca -0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1ttf n PRO 15 Cb 0.57 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 1ttf n PRO 15 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ttf n THR 16 N -0.52 0.00 -3.64 0.52 5.66 -1.26 -4.44 114.28 110.60 1ttf n THR 16 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1ttf n THR 16 Cb 0.00 0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 68.94 1ttf n THR 16 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ttf s SER 17 N -0.45 -0.23 0.04 1.09 0.15 -1.04 -4.28 113.70 108.98 1ttf s SER 17 Ca 0.00 0.42 0.05 0.00 0.70 0.00 0.00 55.95 57.12 1ttf s SER 17 Cb 0.00 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1ttf s SER 17 CO 0.00 -0.10 -0.14 -0.22 1.20 0.00 0.00 173.24 173.99 1ttf s LEU 18 N -0.08 2.19 -0.25 3.45 2.96 -0.05 0.45 118.68 127.34 1ttf s LEU 18 Ca 0.05 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1ttf s LEU 18 Cb -0.04 -0.56 0.07 0.00 0.50 0.00 0.00 46.19 46.16 1ttf s LEU 18 CO -0.10 0.00 0.01 -0.22 -1.32 0.00 0.00 176.35 174.73 1ttf s LEU 19 N -1.23 2.44 0.41 -0.68 0.20 -1.03 -1.56 118.68 117.23 1ttf s LEU 19 Ca 0.00 -1.31 0.08 0.00 0.69 0.00 0.00 54.13 53.59 1ttf s LEU 19 Cb -0.08 -1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 44.64 1ttf s LEU 19 CO 0.01 -0.31 0.47 0.27 -0.29 0.00 0.00 176.35 176.51 1ttf s ILE 20 N 1.49 2.89 -0.28 6.68 -4.36 -1.00 -0.02 121.20 126.60 1ttf s ILE 20 Ca 0.00 -1.17 -0.20 0.00 -0.26 0.00 0.00 60.65 59.03 1ttf s ILE 20 Cb -0.18 -3.02 0.10 0.00 1.25 0.00 0.00 42.46 40.61 1ttf s ILE 20 CO -0.11 -0.01 0.84 -0.44 0.24 0.00 0.00 174.94 175.46 1ttf s SER 21 N -4.23 -0.69 0.00 4.36 0.01 -1.04 -2.55 113.70 109.55 1ttf s SER 21 Ca 0.51 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1ttf s SER 21 Cb -0.07 1.26 0.00 0.00 0.21 0.00 0.00 66.02 67.42 1ttf s SER 21 CO 0.30 -0.19 0.00 -2.67 0.41 0.00 0.00 173.24 171.09 1ttf n TRP 22 N 3.41 0.00 -3.57 2.43 2.14 -1.05 -2.38 117.44 118.41 1ttf n TRP 22 Ca -0.17 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.17 1ttf n TRP 22 Cb 0.57 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 31.08 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 4.87 -0.29 -0.67 2.15 -0.61 -4.81 116.67 118.31 1ttf s ASP 23 Ca 0.00 -1.01 0.03 0.00 0.43 0.00 0.00 52.55 52.00 1ttf s ASP 23 Cb 0.00 0.13 0.17 0.00 -0.30 0.00 0.00 42.92 42.92 1ttf s ASP 23 CO 0.00 -1.05 0.47 0.00 -0.17 0.00 0.00 175.17 174.42 1ttf s ALA 24 N -2.66 -1.60 1.28 3.66 0.00 -1.26 -4.77 121.76 116.41 1ttf s ALA 24 Ca 0.45 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.74 1ttf s ALA 24 Cb -0.03 -2.22 0.29 0.00 0.00 0.00 0.00 23.12 21.16 1ttf s ALA 24 CO 0.28 -1.76 0.71 -2.30 0.00 0.00 0.00 175.76 172.68 1ttf n PRO 25 N 5.38 -3.42 0.00 0.00 -0.02 -1.26 -4.92 135.00 130.75 1ttf n PRO 25 Ca 0.02 -1.00 0.12 0.00 -2.02 0.00 0.00 63.50 60.62 1ttf n PRO 25 Cb 0.51 -1.88 0.26 0.00 -0.02 0.00 0.00 33.50 32.37 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 -5.21 3.26 -0.65 3.55 0.00 -1.26 -4.92 120.51 115.28 1ttf n ALA 26 Ca 0.07 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.74 1ttf n ALA 26 Cb 0.54 -1.03 0.20 0.00 0.00 0.00 0.00 19.45 19.16 1ttf n ALA 26 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ttf s VAL 27 N -2.52 2.07 -0.57 0.00 1.01 -1.26 -4.78 120.40 114.35 1ttf s VAL 27 Ca 0.22 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1ttf s VAL 27 Cb 0.19 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 1ttf s VAL 27 CO 0.55 -0.03 2.27 -0.89 0.00 0.00 0.00 175.10 176.99 1ttf s THR 28 N -2.58 3.10 -0.15 3.92 2.01 -1.26 -4.92 115.64 115.75 1ttf s THR 28 Ca 0.67 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.56 1ttf s THR 28 Cb -0.24 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1ttf s THR 28 CO 0.60 -0.26 0.34 -0.69 -0.69 0.00 0.00 174.62 173.92 1ttf s VAL 29 N 11.72 5.28 -0.05 3.82 1.01 -1.26 -3.53 120.40 137.40 1ttf s VAL 29 Ca 0.89 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1ttf s VAL 29 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ttf s VAL 29 CO 0.22 0.37 -0.02 -0.09 0.00 0.00 0.00 175.10 175.58 1ttf h ARG 30 N 6.74 0.00 -2.95 2.72 2.43 -1.02 -3.47 114.38 118.83 1ttf h ARG 30 Ca -0.41 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1ttf h ARG 30 Cb 1.17 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.62 1ttf h ARG 30 CO 0.75 0.00 0.24 1.52 -1.51 0.00 0.00 179.97 180.97 1ttf s TYR 31 N -1.29 -0.40 0.08 2.20 -0.85 -1.03 -4.46 117.35 111.60 1ttf s TYR 31 Ca -0.01 0.11 0.10 0.00 -0.52 0.00 0.00 57.07 56.75 1ttf s TYR 31 Cb 0.00 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1ttf s TYR 31 CO 0.02 -0.97 -0.26 0.71 -1.52 0.00 0.00 175.55 173.53 1ttf s TYR 32 N -3.77 2.27 -0.22 -3.49 1.51 0.27 -2.54 117.35 111.39 1ttf s TYR 32 Ca 0.05 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1ttf s TYR 32 Cb -0.03 -1.30 0.06 0.00 -0.11 0.00 0.00 41.96 40.58 1ttf s TYR 32 CO -0.06 0.21 -0.02 1.03 -1.11 0.00 0.00 175.55 175.61 1ttf s ARG 33 N -1.60 1.26 -0.42 -0.62 0.52 -1.06 -1.42 118.95 115.60 1ttf s ARG 33 Ca 0.12 -0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 54.42 1ttf s ARG 33 Cb -0.10 -2.41 0.04 0.00 0.52 0.00 0.00 34.95 33.00 1ttf s ARG 33 CO 0.04 -0.61 0.31 0.42 0.02 0.00 0.00 175.30 175.48 1ttf s ILE 34 N 1.57 5.13 0.04 1.52 1.09 -0.56 -1.96 121.20 128.03 1ttf s ILE 34 Ca -0.04 -0.83 0.01 0.00 -1.10 0.00 0.00 60.65 58.70 1ttf s ILE 34 Cb -0.18 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 1ttf s ILE 34 CO -0.07 -0.38 0.09 0.42 -0.10 0.00 0.00 174.94 174.90 1ttf s THR 35 N 1.64 4.67 -0.03 2.92 -4.23 -0.85 -2.21 115.64 117.56 1ttf s THR 35 Ca 0.04 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.84 1ttf s THR 35 Cb -0.21 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.46 1ttf s THR 35 CO 0.08 0.24 0.31 -0.72 -0.54 0.00 0.00 174.62 173.99 1ttf s TYR 36 N -1.30 -0.20 0.00 3.99 1.13 -0.62 -2.25 117.35 118.10 1ttf s TYR 36 Ca 0.26 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 1ttf s TYR 36 Cb -0.12 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.84 1ttf s TYR 36 CO 0.18 -0.35 0.00 0.41 -2.51 0.00 0.00 175.55 173.28 1ttf n GLY 37 N 1.54 1.67 1.77 5.49 0.00 -1.03 -3.04 105.19 111.59 1ttf n GLY 37 Ca -0.20 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.29 -0.80 -0.52 1.61 0.28 -1.26 -2.47 120.64 117.19 1ttf n GLU 38 Ca 0.00 -0.93 -0.23 0.00 -0.16 0.00 0.00 57.16 55.84 1ttf n GLU 38 Cb 0.00 -0.65 0.17 0.00 1.43 0.00 0.00 31.44 32.39 1ttf n GLU 38 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1ttf n THR 39 N -2.96 0.00 0.00 3.84 5.66 -1.25 -4.77 114.28 114.80 1ttf n THR 39 Ca 0.08 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1ttf n THR 39 Cb 0.27 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 68.47 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 2.28 0.52 7.00 1.09 0.00 -1.26 -4.96 105.19 109.87 1ttf n GLY 40 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.88 0.02 -0.02 0.00 -1.26 -4.16 105.19 101.64 1ttf n GLY 41 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 1ttf n GLY 41 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ttf h ASN 42 N 6.24 0.00 0.00 1.61 4.21 -1.93 -3.49 115.58 122.22 1ttf h ASN 42 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ttf h ASN 42 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1ttf h ASN 42 CO 0.00 0.20 0.00 -1.54 -1.29 0.00 0.00 177.43 174.80 1ttf n SER 43 N -2.94 0.00 -1.80 5.81 3.41 -1.26 -4.90 113.62 111.94 1ttf n SER 43 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.58 1ttf n SER 43 Cb 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1ttf n SER 43 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ttf n PRO 44 N 0.00 0.82 0.00 4.33 -0.04 -1.26 -4.25 135.00 134.60 1ttf n PRO 44 Ca 0.00 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ttf n PRO 44 Cb 0.00 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ttf n VAL 45 N 1.93 0.00 -3.66 0.52 0.31 -1.26 -5.12 118.33 111.04 1ttf n VAL 45 Ca 0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.36 1ttf n VAL 45 Cb 0.40 -0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 32.87 1ttf n VAL 45 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ttf s GLN 46 N 0.00 0.92 0.06 5.55 0.74 -1.17 -5.07 119.66 120.70 1ttf s GLN 46 Ca 0.00 -0.47 -0.26 0.00 0.05 0.00 0.00 55.36 54.68 1ttf s GLN 46 Cb 0.00 0.34 0.08 0.00 1.10 0.00 0.00 33.01 34.53 1ttf s GLN 46 CO 0.00 -0.42 0.67 -1.83 -0.55 0.00 0.00 175.29 173.17 1ttf s GLU 47 N -3.05 1.13 0.16 1.67 -1.05 -1.26 -1.59 118.70 114.70 1ttf s GLU 47 Ca 0.11 -0.20 -0.01 0.00 -0.15 0.00 0.00 54.97 54.72 1ttf s GLU 47 Cb -0.00 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1ttf s GLU 47 CO -0.02 -0.45 0.08 -0.59 0.95 0.00 0.00 175.26 175.23 1ttf s PHE 48 N -2.77 1.01 0.06 4.83 -0.71 -0.94 -4.99 117.98 114.48 1ttf s PHE 48 Ca -0.02 -1.28 0.05 0.00 -1.04 0.00 0.00 56.93 54.64 1ttf s PHE 48 Cb -0.01 -0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 41.24 1ttf s PHE 48 CO -0.05 -0.54 -0.13 0.95 -1.34 0.00 0.00 175.22 174.11 1ttf s THR 49 N -4.06 1.03 0.02 -4.49 -4.23 -1.26 -1.50 115.64 101.15 1ttf s THR 49 Ca 0.30 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1ttf s THR 49 Cb 0.07 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.91 1ttf s THR 49 CO 0.06 -0.18 -0.01 0.68 -0.54 0.00 0.00 174.62 174.64 1ttf s VAL 50 N -1.15 0.12 -1.56 2.29 -7.23 -0.51 -4.98 120.40 107.39 1ttf s VAL 50 Ca -0.02 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1ttf s VAL 50 Cb -0.09 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1ttf s VAL 50 CO 0.02 -0.57 0.08 -0.81 -0.31 0.00 0.00 175.10 173.51 1ttf n PRO 51 N 1.31 0.11 -1.18 4.82 -0.04 -1.26 -0.56 135.00 138.19 1ttf n PRO 51 Ca -0.22 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.18 1ttf n PRO 51 Cb 0.56 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.03 0.82 0.14 0.55 0.00 -1.26 -4.52 105.19 100.90 1ttf n GLY 52 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 0.71 -3.27 1.61 0.87 -1.94 -3.44 113.55 108.09 1ttf h SER 53 Ca -0.13 -0.93 -0.59 0.00 -1.23 0.00 0.00 61.79 58.92 1ttf h SER 53 Cb 0.58 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 1ttf h SER 53 CO 0.19 1.74 0.48 -0.54 -0.53 0.00 0.00 176.83 178.16 1ttf s LYS 54 N -2.58 4.24 0.00 2.24 1.02 -1.26 -4.90 119.74 118.49 1ttf s LYS 54 Ca -0.13 1.02 0.28 0.00 0.02 0.00 0.00 55.97 57.16 1ttf s LYS 54 Cb 0.05 -3.62 1.03 0.00 -0.52 0.00 0.00 37.83 34.77 1ttf s LYS 54 CO 0.89 -0.46 1.78 0.43 -0.92 0.00 0.00 175.35 177.08 1ttf n SER 55 N 5.74 0.16 -4.59 2.83 7.64 -1.26 -4.86 113.62 119.28 1ttf n SER 55 Ca 0.06 0.24 -0.27 0.00 1.01 0.00 0.00 58.87 59.91 1ttf n SER 55 Cb 0.48 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.98 2.00 -0.28 0.44 -4.23 -1.26 -2.52 115.64 106.81 1ttf s THR 56 Ca 0.14 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.38 1ttf s THR 56 Cb 0.19 -2.89 0.09 0.00 1.34 0.00 0.00 72.50 71.23 1ttf s THR 56 CO 0.58 -0.06 0.78 0.00 -0.54 0.00 0.00 174.62 175.38 1ttf s ALA 57 N -2.73 -1.88 -0.12 3.99 0.00 -1.06 -5.01 121.76 114.95 1ttf s ALA 57 Ca 0.34 2.14 -0.04 0.00 0.00 0.00 0.00 51.96 54.40 1ttf s ALA 57 Cb 0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1ttf s ALA 57 CO 0.17 -0.34 0.04 0.99 0.00 0.00 0.00 175.76 176.62 1ttf s THR 58 N 0.81 4.60 0.02 0.00 2.01 -1.26 -2.37 115.64 119.45 1ttf s THR 58 Ca -0.03 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1ttf s THR 58 Cb -0.05 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 1ttf s THR 58 CO -0.08 0.57 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.82 1ttf s ILE 59 N -0.52 0.67 -0.12 1.82 2.07 -0.60 -5.03 121.20 119.48 1ttf s ILE 59 Ca 0.10 -0.71 -0.09 0.00 -1.41 0.00 0.00 60.65 58.55 1ttf s ILE 59 Cb -0.12 -0.63 0.04 0.00 0.13 0.00 0.00 42.46 41.88 1ttf s ILE 59 CO 0.02 -0.06 0.30 -0.55 -1.91 0.00 0.00 174.94 172.74 1ttf s SER 60 N -0.84 -0.32 0.00 4.50 0.15 -1.26 -0.87 113.70 115.05 1ttf s SER 60 Ca -0.02 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1ttf s SER 60 Cb -0.06 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1ttf s SER 60 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1ttf n GLY 61 N 3.50 1.11 0.00 9.45 0.00 -1.26 -5.04 105.19 112.95 1ttf n GLY 61 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.99 -0.00 -1.26 -5.00 117.00 111.73 1ttf n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 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 -0.72 0.00 1.17 -0.00 0.00 0.00 177.39 177.84 1ttf n LYS 63 N -0.61 0.00 -0.16 1.47 3.00 -1.26 -4.69 118.16 115.91 1ttf n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ttf n LYS 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ttf n LYS 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ttf n PRO 64 N -0.77 0.25 -3.57 1.64 -0.05 -1.26 -4.73 135.00 126.52 1ttf n PRO 64 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 63.50 63.18 1ttf n PRO 64 Cb 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 33.50 33.35 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1ttf n GLY 65 N 5.00 4.04 3.65 0.55 0.00 -1.26 -4.94 105.19 112.22 1ttf n GLY 65 Ca 0.00 -2.42 -0.28 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.71 1.95 -0.62 1.61 0.11 0.21 -4.81 120.40 117.14 1ttf s VAL 66 Ca 0.33 -1.97 -0.26 0.00 -2.93 0.00 0.00 61.98 57.15 1ttf s VAL 66 Cb 0.07 -2.92 -0.06 0.00 -1.53 0.00 0.00 36.38 31.94 1ttf s VAL 66 CO -0.10 0.00 2.15 -1.81 -3.33 0.00 0.00 175.10 172.01 1ttf s ASP 67 N -3.75 4.75 -0.09 3.54 1.11 -1.26 -2.31 116.67 118.66 1ttf s ASP 67 Ca 0.33 0.46 -0.20 0.00 0.18 0.00 0.00 52.55 53.32 1ttf s ASP 67 Cb 0.09 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.51 1ttf s ASP 67 CO 0.17 -2.81 0.57 -0.31 1.18 0.00 0.00 175.17 173.97 1ttf s TYR 68 N 11.16 3.55 0.08 4.23 2.02 -0.22 -3.89 117.35 134.28 1ttf s TYR 68 Ca 0.82 1.05 0.04 0.00 -0.37 0.00 0.00 57.07 58.62 1ttf s TYR 68 Cb -0.14 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.73 1ttf s TYR 68 CO 0.18 0.15 0.01 0.99 -1.57 0.00 0.00 175.55 175.31 1ttf s THR 69 N 0.65 4.07 0.07 -0.71 2.01 -1.03 -2.38 115.64 118.32 1ttf s THR 69 Ca 0.31 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1ttf s THR 69 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1ttf s THR 69 CO 0.14 0.16 0.01 0.27 -0.69 0.00 0.00 174.62 174.50 1ttf s ILE 70 N -1.28 0.19 -0.16 1.82 -5.25 -1.06 -2.47 121.20 112.98 1ttf s ILE 70 Ca 0.25 -1.78 -0.06 0.00 -0.99 0.00 0.00 60.65 58.07 1ttf s ILE 70 Cb -0.12 -1.61 0.07 0.00 2.95 0.00 0.00 42.46 43.75 1ttf s ILE 70 CO 0.17 -0.86 0.34 -0.89 -1.79 0.00 0.00 174.94 171.91 1ttf s THR 71 N -3.94 -0.37 -0.09 8.37 2.01 -0.95 -2.42 115.64 118.24 1ttf s THR 71 Ca 0.10 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1ttf s THR 71 Cb 0.08 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1ttf s THR 71 CO -0.08 0.08 -0.06 0.68 -0.69 0.00 0.00 174.62 174.55 1ttf s VAL 72 N 2.13 3.76 -0.27 3.82 -7.23 -0.82 -2.01 120.40 119.79 1ttf s VAL 72 Ca -0.03 -0.44 -0.05 0.00 -1.81 0.00 0.00 61.98 59.65 1ttf s VAL 72 Cb -0.11 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.27 1ttf s VAL 72 CO -0.11 0.57 0.02 -0.31 -0.31 0.00 0.00 175.10 174.96 1ttf s TYR 73 N -0.46 3.09 -0.62 2.82 1.51 -0.83 -2.70 117.35 120.16 1ttf s TYR 73 Ca 0.07 -1.07 -0.16 0.00 -1.01 0.00 0.00 57.07 54.90 1ttf s TYR 73 Cb -0.12 -2.18 0.14 0.00 -0.11 0.00 0.00 41.96 39.69 1ttf s TYR 73 CO 0.02 -0.59 0.61 0.00 -1.11 0.00 0.00 175.55 174.48 1ttf s ALA 74 N 1.46 3.69 -0.32 3.71 0.00 -1.26 -2.57 121.76 126.47 1ttf s ALA 74 Ca 0.03 -2.65 -0.13 0.00 0.00 0.00 0.00 51.96 49.21 1ttf s ALA 74 Cb -0.16 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1ttf s ALA 74 CO -0.00 -2.17 0.24 0.08 0.00 0.00 0.00 175.76 173.91 1ttf s VAL 75 N 1.55 5.28 0.00 0.00 1.01 -1.05 -4.42 120.40 122.76 1ttf s VAL 75 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1ttf s VAL 75 Cb -0.24 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1ttf s VAL 75 CO 0.01 0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.52 1ttf n THR 76 N 5.11 0.00 -1.38 3.92 -2.24 -1.26 -0.51 114.28 117.92 1ttf n THR 76 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ttf n THR 76 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 5.00 -4.31 0.00 3.38 0.00 -1.23 -4.46 105.19 103.57 1ttf n GLY 77 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ttf n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttf n ARG 78 N -1.26 0.00 0.00 1.61 5.12 -1.26 -4.75 116.66 116.11 1ttf n ARG 78 Ca 0.00 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 1ttf n ARG 78 Cb 0.09 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 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 0.90 0.00 1.87 -0.13 0.00 -1.26 -5.03 105.19 101.53 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 2.09 0.00 0.00 0.00 173.32 175.41 1ttf n ASP 80 N 0.00 -0.00 -4.76 1.61 5.75 -1.26 -5.08 116.55 112.81 1ttf n ASP 80 Ca 0.00 0.15 -0.38 0.00 -0.01 0.00 0.00 54.79 54.55 1ttf n ASP 80 Cb 0.00 0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ttf s SER 81 N -5.04 6.87 -0.47 -1.12 0.15 -1.26 -4.99 113.70 107.84 1ttf s SER 81 Ca 0.00 1.03 -0.27 0.00 0.70 0.00 0.00 55.95 57.42 1ttf s SER 81 Cb 0.00 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 1ttf s SER 81 CO 0.00 0.10 2.14 -2.16 1.20 0.00 0.00 173.24 174.52 1ttf s PRO 82 N -0.07 2.56 -0.50 5.44 0.04 -1.26 -4.64 135.00 136.57 1ttf s PRO 82 Ca 0.29 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.65 1ttf s PRO 82 Cb -0.17 -4.45 0.24 0.00 0.04 0.00 0.00 34.50 30.17 1ttf s PRO 82 CO 0.15 -2.77 0.61 0.00 0.04 0.00 0.00 177.00 175.03 1ttf n ALA 83 N 13.65 3.16 -2.53 8.56 0.00 -1.26 -5.09 120.51 137.00 1ttf n ALA 83 Ca 0.29 -4.00 -0.38 0.00 0.00 0.00 0.00 53.44 49.35 1ttf n ALA 83 Cb 0.52 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.69 6.80 0.00 0.00 0.15 -1.26 -3.62 113.70 114.08 1ttf s SER 84 Ca 0.37 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.97 1ttf s SER 84 Cb 0.15 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1ttf s SER 84 CO -0.07 0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.39 1ttf n SER 85 N 2.35 0.00 -3.40 5.45 7.64 -1.26 -5.08 113.62 119.32 1ttf n SER 85 Ca -0.12 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.65 1ttf n SER 85 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.62 1ttf n SER 85 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ttf s LYS 86 N 0.44 0.30 1.23 1.43 1.02 -1.26 -5.12 119.74 117.79 1ttf s LYS 86 Ca 0.00 0.46 -0.14 0.00 0.02 0.00 0.00 55.97 56.31 1ttf s LYS 86 Cb 0.00 -0.65 0.31 0.00 -0.52 0.00 0.00 37.83 36.97 1ttf s LYS 86 CO 0.00 -0.63 0.99 -2.30 -0.92 0.00 0.00 175.35 172.48 1ttf n PRO 87 N 5.35 -2.86 -3.58 -1.68 -0.02 -1.26 -4.83 135.00 126.12 1ttf n PRO 87 Ca -0.04 -0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 60.50 1ttf n PRO 87 Cb 0.50 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1ttf n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ttf s ILE 88 N -2.36 0.04 0.04 4.25 1.10 -1.10 -5.04 121.20 118.13 1ttf s ILE 88 Ca 0.69 -0.30 -0.01 0.00 -0.51 0.00 0.00 60.65 60.51 1ttf s ILE 88 Cb -0.25 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.33 1ttf s ILE 88 CO 0.65 -0.17 -0.02 -0.44 -2.11 0.00 0.00 174.94 172.86 1ttf s SER 89 N -2.18 0.38 0.02 4.50 0.01 -1.26 -1.94 113.70 113.24 1ttf s SER 89 Ca -0.03 -0.81 -0.08 0.00 1.31 0.00 0.00 55.95 56.34 1ttf s SER 89 Cb -0.00 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1ttf s SER 89 CO -0.04 -0.50 0.16 -0.63 0.41 0.00 0.00 173.24 172.63 1ttf s ILE 90 N -3.06 0.10 0.04 1.44 1.01 -1.02 -5.01 121.20 114.70 1ttf s ILE 90 Ca -0.01 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.88 1ttf s ILE 90 Cb 0.02 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1ttf s ILE 90 CO -0.07 -0.44 -0.04 0.54 0.00 0.00 0.00 174.94 174.94 1ttf s ASN 91 N -1.69 4.81 -0.13 3.58 4.22 -1.26 -2.57 114.94 121.89 1ttf s ASN 91 Ca -0.11 -0.16 -0.27 0.00 -2.14 0.00 0.00 52.86 50.18 1ttf s ASN 91 Cb -0.05 -1.13 0.06 0.00 1.28 0.00 0.00 41.25 41.42 1ttf s ASN 91 CO -0.01 0.23 0.65 -0.47 -2.04 0.00 0.00 177.10 175.47 1ttf s TYR 92 N -1.14 -0.66 -0.74 1.54 5.04 -1.00 -5.02 117.35 115.37 1ttf s TYR 92 Ca 0.21 1.34 -0.24 0.00 -2.44 0.00 0.00 57.07 55.94 1ttf s TYR 92 Cb -0.11 0.32 0.05 0.00 0.35 0.00 0.00 41.96 42.57 1ttf s TYR 92 CO 0.12 -0.49 1.15 -0.98 -1.34 0.00 0.00 175.55 174.02 1ttf s ARG 93 N -0.56 3.21 0.00 4.97 1.70 -1.26 -1.05 118.95 125.95 1ttf s ARG 93 Ca -0.07 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1ttf s ARG 93 Cb -0.02 -4.32 0.00 0.00 -0.57 0.00 0.00 34.95 30.03 1ttf s ARG 93 CO 0.06 -2.00 0.50 2.41 -1.08 0.00 0.00 175.30 175.19