#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 -0.69 0.00 -1.34 1.04 -1.26 -5.05 113.70 106.40 1ttf s SER 2 Ca 0.00 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1ttf s SER 2 Cb 0.00 0.93 0.00 0.00 0.10 0.00 0.00 66.02 67.05 1ttf s SER 2 CO 0.00 -0.45 0.00 0.47 0.98 0.00 0.00 173.24 174.24 1ttf n ASP 3 N 1.66 0.00 -4.81 7.02 8.00 -1.26 -4.27 116.55 122.88 1ttf n ASP 3 Ca -0.17 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.96 1ttf n ASP 3 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.09 5.31 0.98 2.53 1.01 -1.26 -4.92 120.40 123.96 1ttf s VAL 4 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1ttf s VAL 4 Cb 0.00 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.92 1ttf s VAL 4 CO 0.00 0.53 0.66 -2.65 0.00 0.00 0.00 175.10 173.64 1ttf n PRO 5 N 2.52 -0.68 -3.81 2.72 -0.01 -1.26 -4.97 135.00 129.52 1ttf n PRO 5 Ca -0.16 -0.15 -0.00 0.00 -0.01 0.00 0.00 63.50 63.18 1ttf n PRO 5 Cb 0.53 -2.04 0.00 0.00 -0.01 0.00 0.00 33.50 31.99 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 -4.01 0.81 -1.25 -0.52 1.70 -1.26 -5.02 118.95 109.41 1ttf s ARG 6 Ca 0.61 -0.49 -0.03 0.00 -0.47 0.00 0.00 55.73 55.35 1ttf s ARG 6 Cb -0.21 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.41 1ttf s ARG 6 CO 0.64 -0.38 0.78 -3.47 -1.08 0.00 0.00 175.30 171.80 1ttf n ASP 7 N -0.83 -2.26 -4.62 -2.89 2.03 -1.26 -2.75 116.55 103.96 1ttf n ASP 7 Ca -0.04 -0.79 -0.39 0.00 0.52 0.00 0.00 54.79 54.09 1ttf n ASP 7 Cb 0.60 -4.30 -0.08 0.00 -0.72 0.00 0.00 41.12 36.63 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 -6.47 4.07 0.05 -2.67 1.02 -1.26 -4.15 118.68 109.26 1ttf s LEU 8 Ca 0.09 0.47 -0.27 0.00 0.02 0.00 0.00 54.13 54.44 1ttf s LEU 8 Cb -0.02 -2.58 0.09 0.00 0.02 0.00 0.00 46.19 43.69 1ttf s LEU 8 CO 0.80 -0.23 0.79 -0.70 0.02 0.00 0.00 176.35 177.03 1ttf s GLU 9 N 2.08 0.97 -0.09 1.70 -6.30 -1.07 -5.05 118.70 110.94 1ttf s GLU 9 Ca 0.19 -0.35 -0.14 0.00 -2.50 0.00 0.00 54.97 52.17 1ttf s GLU 9 Cb -0.16 0.45 -0.05 0.00 0.00 0.00 0.00 34.13 34.37 1ttf s GLU 9 CO 0.09 -0.42 0.36 0.08 0.02 0.00 0.00 175.26 175.39 1ttf s VAL 10 N -3.29 5.19 -0.03 3.70 1.01 -1.26 -2.50 120.40 123.22 1ttf s VAL 10 Ca 0.04 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 1ttf s VAL 10 Cb -0.01 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1ttf s VAL 10 CO -0.10 0.47 -0.04 1.33 0.00 0.00 0.00 175.10 176.76 1ttf n VAL 11 N 2.77 0.30 -4.13 2.92 0.24 -1.08 -5.00 118.33 114.35 1ttf n VAL 11 Ca -0.12 0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 62.49 1ttf n VAL 11 Cb 0.52 -1.69 -0.07 0.00 -1.47 0.00 0.00 33.84 31.13 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ttf s ALA 12 N -2.94 0.74 0.28 2.33 0.00 -1.25 -5.08 121.76 115.84 1ttf s ALA 12 Ca -0.03 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1ttf s ALA 12 Cb 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 23.12 24.36 1ttf s ALA 12 CO 0.05 -0.71 0.28 0.00 0.00 0.00 0.00 175.76 175.38 1ttf s ALA 13 N -3.87 1.28 0.05 0.00 0.00 -1.26 -2.12 121.76 115.83 1ttf s ALA 13 Ca 0.33 -1.76 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 1ttf s ALA 13 Cb 0.03 1.36 -0.03 0.00 0.00 0.00 0.00 23.12 24.48 1ttf s ALA 13 CO 0.14 -0.68 -0.01 0.95 0.00 0.00 0.00 175.76 176.16 1ttf s THR 14 N -3.64 0.20 -1.80 0.00 -4.23 0.15 -4.97 115.64 101.34 1ttf s THR 14 Ca 0.37 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1ttf s THR 14 Cb 0.03 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1ttf s THR 14 CO 0.20 -0.89 0.43 -0.81 -0.54 0.00 0.00 174.62 173.01 1ttf n PRO 15 N 0.33 0.00 -0.87 3.99 -0.04 -1.26 -1.80 135.00 135.35 1ttf n PRO 15 Ca -0.16 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.27 1ttf n PRO 15 Cb 0.60 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ttf n THR 16 N -0.93 0.00 -3.57 0.52 -2.24 -1.26 -4.99 114.28 101.81 1ttf n THR 16 Ca 0.00 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.58 1ttf n THR 16 Cb 0.00 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.83 -0.25 0.05 3.42 0.15 -0.75 -4.34 113.70 111.16 1ttf s SER 17 Ca 0.04 0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.83 1ttf s SER 17 Cb 0.05 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1ttf s SER 17 CO -0.02 -0.37 -0.15 -0.22 1.20 0.00 0.00 173.24 173.68 1ttf s LEU 18 N -1.98 2.21 -0.11 3.45 2.96 0.28 0.30 118.68 125.79 1ttf s LEU 18 Ca 0.06 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1ttf s LEU 18 Cb -0.01 -0.65 0.02 0.00 0.50 0.00 0.00 46.19 46.06 1ttf s LEU 18 CO -0.05 0.02 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.69 1ttf s LEU 19 N -1.36 1.36 0.37 -0.68 0.20 -0.90 -1.74 118.68 115.93 1ttf s LEU 19 Ca 0.02 -0.33 0.06 0.00 0.69 0.00 0.00 54.13 54.57 1ttf s LEU 19 Cb -0.09 -0.88 -0.07 0.00 -0.43 0.00 0.00 46.19 44.72 1ttf s LEU 19 CO 0.02 -0.07 0.03 0.27 -0.29 0.00 0.00 176.35 176.30 1ttf s ILE 20 N 1.43 1.65 -0.26 6.68 -4.36 -1.03 -2.63 121.20 122.67 1ttf s ILE 20 Ca 0.00 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.15 1ttf s ILE 20 Cb -0.13 -2.90 0.07 0.00 1.25 0.00 0.00 42.46 40.75 1ttf s ILE 20 CO -0.06 -0.01 0.70 -0.94 0.24 0.00 0.00 174.94 174.87 1ttf s SER 21 N -3.61 -0.74 0.00 4.36 1.04 -1.04 -2.52 113.70 111.19 1ttf s SER 21 Ca 0.36 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.20 1ttf s SER 21 Cb 0.09 1.43 0.00 0.00 0.10 0.00 0.00 66.02 67.64 1ttf s SER 21 CO 0.17 -0.24 0.00 -2.67 0.98 0.00 0.00 173.24 171.48 1ttf n TRP 22 N 2.81 0.00 -4.53 5.02 2.14 -0.88 -2.60 117.44 119.40 1ttf n TRP 22 Ca -0.14 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.18 1ttf n TRP 22 Cb 0.55 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.95 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 2.94 -0.11 -0.67 2.15 -1.11 -4.85 116.67 116.03 1ttf s ASP 23 Ca 0.00 -1.44 -0.04 0.00 0.43 0.00 0.00 52.55 51.50 1ttf s ASP 23 Cb 0.00 -0.03 0.06 0.00 -0.30 0.00 0.00 42.92 42.65 1ttf s ASP 23 CO 0.00 -0.64 0.18 0.00 -0.17 0.00 0.00 175.17 174.54 1ttf s ALA 24 N -3.11 -0.19 1.08 3.66 0.00 -1.26 -4.84 121.76 117.11 1ttf s ALA 24 Ca 0.32 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1ttf s ALA 24 Cb 0.08 -0.92 0.24 0.00 0.00 0.00 0.00 23.12 22.52 1ttf s ALA 24 CO 0.15 -0.69 1.06 -2.14 0.00 0.00 0.00 175.76 174.15 1ttf s PRO 25 N 2.30 -0.27 0.35 0.00 0.02 -1.26 -4.93 135.00 131.22 1ttf s PRO 25 Ca 0.03 1.03 0.23 0.00 0.02 0.00 0.00 61.00 62.31 1ttf s PRO 25 Cb -0.13 -1.62 0.21 0.00 0.02 0.00 0.00 34.50 32.99 1ttf s PRO 25 CO -0.07 -3.34 1.40 0.00 -0.33 0.00 0.00 177.00 174.66 1ttf h ALA 26 N -2.36 0.81 -2.22 -1.55 0.00 -2.00 -3.47 119.26 108.48 1ttf h ALA 26 Ca -0.56 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.86 1ttf h ALA 26 Cb 1.31 0.00 0.21 0.00 0.00 0.00 0.00 17.79 19.31 1ttf h ALA 26 CO 0.48 0.01 0.14 0.08 0.00 0.00 0.00 179.25 179.95 1ttf s VAL 27 N -3.27 2.02 -1.00 0.00 1.01 -1.26 -4.85 120.40 113.05 1ttf s VAL 27 Ca 0.04 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1ttf s VAL 27 Cb 0.07 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.49 1ttf s VAL 27 CO 0.72 -0.01 1.41 0.42 0.00 0.00 0.00 175.10 177.64 1ttf s THR 28 N -2.56 3.99 -0.08 3.92 -4.23 -1.26 -4.97 115.64 110.45 1ttf s THR 28 Ca 0.68 -0.78 -0.24 0.00 -1.18 0.00 0.00 61.69 60.16 1ttf s THR 28 Cb -0.24 -5.03 -0.03 0.00 1.34 0.00 0.00 72.50 68.54 1ttf s THR 28 CO 0.61 -1.90 0.74 -0.69 -0.54 0.00 0.00 174.62 172.84 1ttf s VAL 29 N 4.80 5.01 0.03 2.29 1.01 -1.26 -4.27 120.40 128.02 1ttf s VAL 29 Ca 0.44 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.80 1ttf s VAL 29 Cb -0.01 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1ttf s VAL 29 CO -0.09 0.21 1.20 0.03 0.00 0.00 0.00 175.10 176.45 1ttf h ARG 30 N 6.85 -0.34 -3.20 2.72 2.47 -1.73 -3.41 114.38 117.75 1ttf h ARG 30 Ca -0.39 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.32 1ttf h ARG 30 Cb 1.19 0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 29.47 1ttf h ARG 30 CO 0.76 -0.23 0.07 1.52 0.56 0.00 0.00 179.97 182.66 1ttf s TYR 31 N -4.01 -0.35 0.18 3.04 -0.85 -1.08 -4.46 117.35 109.83 1ttf s TYR 31 Ca -0.06 0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.60 1ttf s TYR 31 Cb 0.02 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1ttf s TYR 31 CO 0.21 -0.80 0.21 0.71 -1.52 0.00 0.00 175.55 174.37 1ttf s TYR 32 N -3.79 3.27 -0.16 -3.49 1.51 -0.06 -2.43 117.35 112.21 1ttf s TYR 32 Ca 0.03 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 1ttf s TYR 32 Cb 0.00 -1.55 0.05 0.00 -0.11 0.00 0.00 41.96 40.36 1ttf s TYR 32 CO -0.11 0.51 0.05 0.50 -1.11 0.00 0.00 175.55 175.39 1ttf s ARG 33 N -3.33 0.37 0.03 -0.62 3.52 -0.78 -2.00 118.95 116.14 1ttf s ARG 33 Ca 0.33 -0.18 -0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1ttf s ARG 33 Cb -0.10 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 1ttf s ARG 33 CO 0.26 -0.60 0.16 0.42 -0.81 0.00 0.00 175.30 174.72 1ttf s ILE 34 N 2.00 5.13 -0.02 4.11 1.09 -0.89 0.04 121.20 132.67 1ttf s ILE 34 Ca 0.01 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.18 1ttf s ILE 34 Cb -0.16 -3.44 0.02 0.00 -1.06 0.00 0.00 42.46 37.82 1ttf s ILE 34 CO -0.08 0.23 -0.00 0.42 -0.10 0.00 0.00 174.94 175.41 1ttf s THR 35 N -1.38 0.11 -0.10 2.92 -4.23 0.18 -1.99 115.64 111.16 1ttf s THR 35 Ca 0.30 0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1ttf s THR 35 Cb -0.13 -0.17 0.02 0.00 1.34 0.00 0.00 72.50 73.56 1ttf s THR 35 CO 0.22 0.09 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.59 1ttf s TYR 36 N 0.63 1.38 -0.16 3.99 1.13 -0.91 -1.82 117.35 121.58 1ttf s TYR 36 Ca -0.06 -0.64 -0.13 0.00 -1.41 0.00 0.00 57.07 54.82 1ttf s TYR 36 Cb -0.09 -1.15 0.05 0.00 -1.10 0.00 0.00 41.96 39.67 1ttf s TYR 36 CO -0.01 -0.45 0.42 0.20 -2.51 0.00 0.00 175.55 173.20 1ttf s GLY 37 N 1.56 -0.32 1.13 5.49 0.00 -1.10 -2.10 107.32 111.98 1ttf s GLY 37 Ca 0.02 1.30 -0.17 0.00 0.00 0.00 0.00 44.72 45.86 1ttf s GLY 37 CO -0.06 1.21 0.35 1.18 0.00 0.00 0.00 173.10 175.78 1ttf n GLU 38 N 3.23 -2.55 -1.58 2.90 1.02 -1.26 -2.06 120.64 120.33 1ttf n GLU 38 Ca -0.16 -0.75 -0.31 0.00 -0.02 0.00 0.00 57.16 55.92 1ttf n GLU 38 Cb 0.57 -1.65 0.05 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.14 3.90 0.00 2.62 2.01 -1.26 -3.64 115.64 117.12 1ttf s THR 39 Ca 0.49 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1ttf s THR 39 Cb -0.10 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1ttf s THR 39 CO 0.49 -0.81 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1ttf n GLY 40 N -2.05 2.64 2.23 4.40 0.00 -1.26 -4.19 105.19 106.96 1ttf n GLY 40 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1ttf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ttf n GLY 41 N 0.00 0.93 0.02 -0.02 0.00 -1.24 -4.87 105.19 100.01 1ttf n GLY 41 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 0.69 0.10 -2.68 1.61 4.13 -1.26 -4.48 115.26 113.37 1ttf n ASN 42 Ca -0.07 0.52 -0.02 0.00 1.68 0.00 0.00 54.58 56.68 1ttf n ASN 42 Cb 0.25 -0.54 0.03 0.00 -1.54 0.00 0.00 39.78 37.98 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ttf s SER 43 N -3.19 -0.22 0.19 6.41 1.04 -1.26 -5.14 113.70 111.53 1ttf s SER 43 Ca 0.09 -0.24 -0.31 0.00 0.48 0.00 0.00 55.95 55.96 1ttf s SER 43 Cb 0.12 0.29 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 1ttf s SER 43 CO 0.36 -0.01 1.58 -2.84 0.98 0.00 0.00 173.24 173.31 1ttf s PRO 44 N 1.11 4.20 0.00 4.02 0.02 -1.26 -4.41 135.00 138.69 1ttf s PRO 44 Ca 0.22 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1ttf s PRO 44 Cb 0.12 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.51 1ttf s PRO 44 CO -0.12 -0.61 0.76 0.28 -0.33 0.00 0.00 177.00 176.99 1ttf n VAL 45 N 3.68 0.00 -3.88 3.83 0.31 -0.89 -4.96 118.33 116.42 1ttf n VAL 45 Ca 0.13 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.73 1ttf n VAL 45 Cb 0.38 -2.23 0.01 0.00 -0.91 0.00 0.00 33.84 31.09 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 -1.34 0.26 -4.36 5.55 7.27 -1.12 -5.05 117.38 118.59 1ttf n GLN 46 Ca 0.00 -0.73 -0.20 0.00 0.07 0.00 0.00 57.00 56.14 1ttf n GLN 46 Cb 0.00 1.09 -0.09 0.00 2.41 0.00 0.00 30.24 33.65 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1ttf s GLU 47 N -2.02 1.64 -0.29 3.69 8.01 -1.26 -2.15 118.70 126.32 1ttf s GLU 47 Ca 0.19 -1.95 -0.18 0.00 0.01 0.00 0.00 54.97 53.04 1ttf s GLU 47 Cb -0.01 -0.17 0.18 0.00 -4.31 0.00 0.00 34.13 29.82 1ttf s GLU 47 CO 0.01 -0.45 1.20 -0.59 0.01 0.00 0.00 175.26 175.44 1ttf s PHE 48 N -3.54 -0.23 0.05 1.61 -0.71 -0.84 -5.02 117.98 109.29 1ttf s PHE 48 Ca 0.34 0.49 0.00 0.00 -1.04 0.00 0.00 56.93 56.73 1ttf s PHE 48 Cb 0.05 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 1ttf s PHE 48 CO 0.18 -0.12 0.17 -0.08 -1.34 0.00 0.00 175.22 174.03 1ttf s THR 49 N 0.87 5.16 0.02 -4.49 -1.32 -1.26 -2.08 115.64 112.53 1ttf s THR 49 Ca -0.05 -0.43 -0.04 0.00 -1.21 0.00 0.00 61.69 59.97 1ttf s THR 49 Cb -0.03 -3.48 -0.01 0.00 -1.51 0.00 0.00 72.50 67.47 1ttf s THR 49 CO -0.12 0.19 0.05 0.68 -2.21 0.00 0.00 174.62 173.21 1ttf s VAL 50 N -1.42 0.11 -0.07 5.08 -7.23 -0.85 -4.95 120.40 111.07 1ttf s VAL 50 Ca 0.31 -0.93 -0.34 0.00 -1.81 0.00 0.00 61.98 59.21 1ttf s VAL 50 Cb -0.13 -0.53 -0.12 0.00 0.56 0.00 0.00 36.38 36.17 1ttf s VAL 50 CO 0.24 -0.51 1.86 -2.65 -0.31 0.00 0.00 175.10 173.73 1ttf n PRO 51 N 1.28 2.20 0.05 4.82 -0.01 -1.26 -0.88 135.00 141.20 1ttf n PRO 51 Ca -0.22 0.80 0.01 0.00 -0.01 0.00 0.00 63.50 64.09 1ttf n PRO 51 Cb 0.56 -2.65 0.06 0.00 -0.01 0.00 0.00 33.50 31.46 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 4.34 -0.25 0.24 -1.23 0.00 -1.26 -0.06 105.19 106.96 1ttf n GLY 52 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.34 -3.58 1.61 0.87 -1.89 -3.42 113.55 107.48 1ttf h SER 53 Ca 0.00 -0.08 -0.51 0.00 -1.23 0.00 0.00 61.79 59.96 1ttf h SER 53 Cb 0.75 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1ttf h SER 53 CO 0.00 0.52 0.43 -0.54 -0.53 0.00 0.00 176.83 176.71 1ttf s LYS 54 N -4.68 4.65 0.00 2.24 1.02 0.91 -4.93 119.74 118.96 1ttf s LYS 54 Ca -0.06 1.61 0.18 0.00 0.02 0.00 0.00 55.97 57.72 1ttf s LYS 54 Cb 0.15 -3.31 0.09 0.00 -0.52 0.00 0.00 37.83 34.24 1ttf s LYS 54 CO 0.76 0.15 1.02 0.45 -0.92 0.00 0.00 175.35 176.80 1ttf n SER 55 N 2.46 2.23 -4.26 2.83 2.88 -1.26 -4.88 113.62 113.61 1ttf n SER 55 Ca 0.02 -1.61 -0.14 0.00 -1.33 0.00 0.00 58.87 55.80 1ttf n SER 55 Cb 0.47 0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 64.01 1ttf n SER 55 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ttf s THR 56 N -1.71 0.96 0.17 2.46 -4.23 -1.26 -2.08 115.64 109.95 1ttf s THR 56 Ca 0.19 -2.02 -0.22 0.00 -1.18 0.00 0.00 61.69 58.46 1ttf s THR 56 Cb 0.15 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 72.01 1ttf s THR 56 CO 0.31 -0.57 0.58 0.00 -0.54 0.00 0.00 174.62 174.40 1ttf s ALA 57 N -3.46 -1.45 -0.05 3.99 0.00 -1.05 -5.02 121.76 114.72 1ttf s ALA 57 Ca 0.21 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1ttf s ALA 57 Cb 0.05 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.06 1ttf s ALA 57 CO 0.03 -0.78 0.02 0.99 0.00 0.00 0.00 175.76 176.02 1ttf s THR 58 N -3.78 0.16 0.22 0.00 2.01 -1.26 -2.48 115.64 110.51 1ttf s THR 58 Ca 0.03 0.21 0.11 0.00 0.31 0.00 0.00 61.69 62.34 1ttf s THR 58 Cb -0.01 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1ttf s THR 58 CO -0.11 0.20 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.24 1ttf s ILE 59 N 1.73 2.79 0.30 1.82 1.01 -0.71 -4.97 121.20 123.18 1ttf s ILE 59 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 60.65 58.68 1ttf s ILE 59 Cb -0.13 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1ttf s ILE 59 CO -0.03 -0.22 0.31 -0.55 0.00 0.00 0.00 174.94 174.44 1ttf s SER 60 N -3.07 1.11 -0.29 3.58 0.15 -1.26 -0.56 113.70 113.36 1ttf s SER 60 Ca 0.26 -1.58 -0.01 0.00 0.70 0.00 0.00 55.95 55.31 1ttf s SER 60 Cb -0.07 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.77 1ttf s SER 60 CO 0.14 -1.08 0.25 0.61 1.20 0.00 0.00 173.24 174.36 1ttf n GLY 61 N -0.53 0.33 0.00 9.45 0.00 -1.26 -5.01 105.19 108.17 1ttf n GLY 61 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.94 0.00 -3.14 0.99 -0.00 -1.26 -5.06 117.00 106.59 1ttf n LEU 62 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.03 1ttf n LEU 62 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1ttf n LEU 62 CO 0.16 0.00 0.45 -0.75 -0.00 0.00 0.00 177.39 177.25 1ttf s LYS 63 N 3.78 0.22 0.61 1.47 2.47 -1.26 -5.14 119.74 121.90 1ttf s LYS 63 Ca 0.00 0.20 -0.19 0.00 -1.56 0.00 0.00 55.97 54.42 1ttf s LYS 63 Cb 0.00 0.09 -0.03 0.00 -1.46 0.00 0.00 37.83 36.44 1ttf s LYS 63 CO 0.00 -0.40 1.28 -2.14 0.16 0.00 0.00 175.35 174.25 1ttf s PRO 64 N 2.90 2.79 0.00 4.03 0.02 -1.26 -4.19 135.00 139.29 1ttf s PRO 64 Ca 0.25 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1ttf s PRO 64 Cb -0.03 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1ttf s PRO 64 CO -0.23 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 175.45 1ttf n GLY 65 N 0.75 0.69 3.57 0.52 0.00 -0.59 -5.09 105.19 105.04 1ttf n GLY 65 Ca 0.14 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.64 0.00 0.68 1.61 0.11 -0.49 -5.05 120.40 114.61 1ttf s VAL 66 Ca 0.00 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 1ttf s VAL 66 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1ttf s VAL 66 CO 0.00 0.00 1.23 -0.62 -3.33 0.00 0.00 175.10 172.38 1ttf s ASP 67 N -1.21 4.54 -0.10 3.54 2.15 -1.26 -2.62 116.67 121.71 1ttf s ASP 67 Ca -0.01 2.44 -0.08 0.00 0.43 0.00 0.00 52.55 55.32 1ttf s ASP 67 Cb -0.00 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1ttf s ASP 67 CO 0.01 -2.03 0.26 -0.31 -0.17 0.00 0.00 175.17 172.92 1ttf s TYR 68 N -1.73 -0.29 -0.33 -5.34 2.02 0.76 -4.37 117.35 108.07 1ttf s TYR 68 Ca 0.77 0.70 -0.03 0.00 -0.37 0.00 0.00 57.07 58.14 1ttf s TYR 68 Cb -0.32 0.09 0.06 0.00 -0.40 0.00 0.00 41.96 41.39 1ttf s TYR 68 CO 0.41 -0.15 0.07 0.99 -1.57 0.00 0.00 175.55 175.30 1ttf s THR 69 N 0.27 3.29 0.29 -0.71 2.01 -0.88 -0.35 115.64 119.55 1ttf s THR 69 Ca -0.01 -1.44 0.00 0.00 0.31 0.00 0.00 61.69 60.55 1ttf s THR 69 Cb -0.03 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1ttf s THR 69 CO -0.01 -0.24 0.49 0.27 -0.69 0.00 0.00 174.62 174.43 1ttf s ILE 70 N 1.28 5.14 -0.22 1.82 -5.25 -0.80 -2.71 121.20 120.45 1ttf s ILE 70 Ca -0.02 -0.44 -0.25 0.00 -0.99 0.00 0.00 60.65 58.96 1ttf s ILE 70 Cb -0.20 -3.81 0.07 0.00 2.95 0.00 0.00 42.46 41.46 1ttf s ILE 70 CO -0.01 -0.40 0.68 -0.89 -1.79 0.00 0.00 174.94 172.53 1ttf s THR 71 N -2.13 0.00 -0.01 8.37 2.01 -0.76 -1.87 115.64 121.25 1ttf s THR 71 Ca 0.39 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.42 1ttf s THR 71 Cb -0.10 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 1ttf s THR 71 CO 0.33 -0.00 -0.10 0.68 -0.69 0.00 0.00 174.62 174.83 1ttf s VAL 72 N 0.11 0.80 -0.31 3.82 -7.23 -1.03 -0.64 120.40 115.92 1ttf s VAL 72 Ca -0.02 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 1ttf s VAL 72 Cb -0.04 -0.68 0.08 0.00 0.56 0.00 0.00 36.38 36.30 1ttf s VAL 72 CO 0.02 0.23 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.72 1ttf s TYR 73 N -0.12 3.54 -0.31 2.82 1.51 0.11 -2.83 117.35 122.06 1ttf s TYR 73 Ca 0.02 -2.67 -0.27 0.00 -1.01 0.00 0.00 57.07 53.14 1ttf s TYR 73 Cb -0.05 -2.49 0.01 0.00 -0.11 0.00 0.00 41.96 39.32 1ttf s TYR 73 CO -0.00 -0.92 1.00 0.00 -1.11 0.00 0.00 175.55 174.52 1ttf s ALA 74 N 1.00 3.51 -0.34 3.71 0.00 -1.26 -1.87 121.76 126.51 1ttf s ALA 74 Ca 0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1ttf s ALA 74 Cb -0.20 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1ttf s ALA 74 CO -0.06 -1.40 0.11 0.08 0.00 0.00 0.00 175.76 174.48 1ttf s VAL 75 N 3.45 3.73 0.23 0.00 1.01 -1.02 -4.20 120.40 123.60 1ttf s VAL 75 Ca 0.42 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1ttf s VAL 75 Cb -0.13 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1ttf s VAL 75 CO 0.14 -0.21 0.31 0.35 0.00 0.00 0.00 175.10 175.69 1ttf n THR 76 N 4.79 0.00 0.00 3.92 -2.24 -1.26 -2.28 114.28 117.22 1ttf n THR 76 Ca -0.12 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1ttf n THR 76 Cb 0.44 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttf n GLY 77 N 2.17 0.50 0.13 3.38 0.00 -1.26 -4.64 105.19 105.48 1ttf n GLY 77 Ca 0.06 0.65 -0.21 0.00 0.00 0.00 0.00 46.02 46.52 1ttf n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ttf n ARG 78 N 0.00 0.73 0.00 1.61 0.00 -1.26 -4.83 116.66 112.91 1ttf n ARG 78 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 1ttf n ARG 78 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.76 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 1.93 0.62 0.00 5.14 0.00 -1.26 -5.06 105.19 106.57 1ttf n GLY 79 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.75 1.61 -0.08 -1.26 -5.10 116.55 106.97 1ttf n ASP 80 Ca 0.00 -0.53 -0.40 0.00 -1.51 0.00 0.00 54.79 52.35 1ttf n ASP 80 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1ttf s SER 81 N 0.00 7.40 -0.52 1.67 1.04 -1.26 -4.92 113.70 117.11 1ttf s SER 81 Ca 0.00 2.11 -0.26 0.00 0.48 0.00 0.00 55.95 58.28 1ttf s SER 81 Cb 0.00 -2.62 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 1ttf s SER 81 CO 0.00 -0.06 2.38 -2.16 0.98 0.00 0.00 173.24 174.38 1ttf s PRO 82 N -1.08 2.08 -0.20 4.02 0.04 -1.26 -4.90 135.00 133.69 1ttf s PRO 82 Ca 0.44 1.29 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 1ttf s PRO 82 Cb -0.29 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.61 1ttf s PRO 82 CO 0.37 -3.35 0.10 0.00 0.04 0.00 0.00 177.00 174.15 1ttf s ALA 83 N 12.28 3.51 -0.21 8.56 0.00 -1.26 -5.08 121.76 139.56 1ttf s ALA 83 Ca 0.96 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1ttf s ALA 83 Cb -0.16 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 1ttf s ALA 83 CO 0.24 0.09 0.23 -1.12 0.00 0.00 0.00 175.76 175.20 1ttf s SER 84 N 0.52 6.26 0.00 0.00 0.01 -1.26 -4.51 113.70 114.72 1ttf s SER 84 Ca 0.05 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1ttf s SER 84 Cb -0.12 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1ttf s SER 84 CO 0.00 0.06 0.00 -1.54 0.41 0.00 0.00 173.24 172.17 1ttf n SER 85 N 4.08 0.00 -3.33 2.44 3.41 -1.26 -5.01 113.62 113.95 1ttf n SER 85 Ca -0.13 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.22 1ttf n SER 85 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.00 0.96 -0.59 4.33 5.02 -1.26 -5.11 118.16 121.52 1ttf n LYS 86 Ca 0.00 -3.54 -0.30 0.00 -2.02 0.00 0.00 58.31 52.45 1ttf n LYS 86 Cb 0.00 -1.57 0.21 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.71 -1.47 -3.46 1.97 -0.02 -1.26 -4.88 135.00 127.58 1ttf n PRO 87 Ca 0.25 -0.38 -0.14 0.00 -2.02 0.00 0.00 63.50 61.20 1ttf n PRO 87 Cb 0.48 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.49 0.00 0.02 4.25 2.07 -1.13 -5.06 121.20 118.86 1ttf s ILE 88 Ca 0.66 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.90 1ttf s ILE 88 Cb -0.23 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.34 1ttf s ILE 88 CO 0.62 -0.02 -0.08 -0.94 -1.91 0.00 0.00 174.94 172.62 1ttf s SER 89 N -2.26 0.91 0.05 4.50 1.04 -1.26 -2.48 113.70 114.20 1ttf s SER 89 Ca -0.03 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.10 1ttf s SER 89 Cb -0.01 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1ttf s SER 89 CO -0.06 -0.02 -0.04 -0.63 0.98 0.00 0.00 173.24 173.47 1ttf s ILE 90 N -0.64 0.30 0.02 -1.02 1.01 -0.78 -5.02 121.20 115.06 1ttf s ILE 90 Ca -0.02 -1.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 1ttf s ILE 90 Cb -0.06 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1ttf s ILE 90 CO 0.00 -0.81 0.23 0.54 0.00 0.00 0.00 174.94 174.91 1ttf s ASN 91 N -2.47 6.42 -0.11 3.58 4.22 -1.26 -1.91 114.94 123.40 1ttf s ASN 91 Ca 0.01 0.43 -0.19 0.00 -2.14 0.00 0.00 52.86 50.97 1ttf s ASN 91 Cb 0.02 -2.03 0.04 0.00 1.28 0.00 0.00 41.25 40.56 1ttf s ASN 91 CO -0.06 0.23 0.47 -0.47 -2.04 0.00 0.00 177.10 175.23 1ttf s TYR 92 N -1.37 -0.46 -0.28 1.54 6.14 0.52 -4.94 117.35 118.50 1ttf s TYR 92 Ca 0.29 0.99 -0.10 0.00 0.64 0.00 0.00 57.07 58.90 1ttf s TYR 92 Cb -0.13 0.20 -0.03 0.00 0.42 0.00 0.00 41.96 42.42 1ttf s TYR 92 CO 0.19 -0.36 0.14 1.03 0.64 0.00 0.00 175.55 177.20 1ttf s ARG 93 N -0.43 3.69 0.00 4.97 3.00 -1.26 -0.17 118.95 128.75 1ttf s ARG 93 Ca -0.06 -0.48 0.01 0.00 0.00 0.00 0.00 55.73 55.20 1ttf s ARG 93 Cb -0.03 -3.53 0.01 0.00 0.00 0.00 0.00 34.95 31.39 1ttf s ARG 93 CO 0.03 -0.25 0.52 0.25 0.00 0.00 0.00 175.30 175.86