#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 5.56 0.00 4.52 0.01 -1.26 -4.90 113.70 117.62 1ttf s SER 2 Ca 0.00 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.36 1ttf s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1ttf s SER 2 CO 0.00 -1.33 0.00 -0.67 0.41 0.00 0.00 173.24 171.65 1ttf n ASP 3 N -1.65 0.00 -4.73 2.44 2.03 -1.26 -4.93 116.55 108.44 1ttf n ASP 3 Ca 0.11 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.01 1ttf n ASP 3 Cb 0.51 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 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 3.64 1.26 5.18 1.01 -1.26 -4.77 120.40 125.45 1ttf s VAL 4 Ca 0.00 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 1ttf s VAL 4 Cb 0.00 -3.87 0.29 0.00 0.00 0.00 0.00 36.38 32.80 1ttf s VAL 4 CO 0.00 0.21 0.76 -2.65 0.00 0.00 0.00 175.10 173.42 1ttf n PRO 5 N 2.65 -3.11 -0.58 2.72 -0.01 -1.26 -4.96 135.00 130.46 1ttf n PRO 5 Ca 0.05 -0.90 0.00 0.00 -0.01 0.00 0.00 63.50 62.64 1ttf n PRO 5 Cb 0.45 -1.97 0.00 0.00 -0.01 0.00 0.00 33.50 31.97 1ttf n PRO 5 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 175.50 178.38 1ttf n ARG 6 N -4.57 0.00 -0.76 -0.52 1.85 -1.26 -4.97 116.66 106.44 1ttf n ARG 6 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1ttf n ARG 6 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1ttf n ARG 6 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ttf n ASP 7 N -0.08 -3.97 -4.68 2.89 8.00 -1.26 -2.86 116.55 114.60 1ttf n ASP 7 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.04 1ttf n ASP 7 Cb 0.00 -2.85 -0.04 0.00 -0.02 0.00 0.00 41.12 38.21 1ttf n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ttf n LEU 8 N 0.00 3.65 -3.50 0.64 4.32 -1.26 -4.53 117.00 116.31 1ttf n LEU 8 Ca 0.00 0.98 -0.12 0.00 -0.02 0.00 0.00 56.01 56.84 1ttf n LEU 8 Cb 0.33 -1.44 -0.03 0.00 -1.62 0.00 0.00 43.42 40.65 1ttf n LEU 8 CO 0.00 0.00 0.33 -0.70 -1.22 0.00 0.00 177.39 175.80 1ttf s GLU 9 N 3.46 1.17 -0.34 3.23 2.56 -0.72 -5.01 118.70 123.04 1ttf s GLU 9 Ca 0.88 -0.42 -0.18 0.00 0.00 0.00 0.00 54.97 55.25 1ttf s GLU 9 Cb -0.60 0.53 -0.00 0.00 2.00 0.00 0.00 34.13 36.06 1ttf s GLU 9 CO 0.45 -0.48 0.51 0.08 -0.56 0.00 0.00 175.26 175.27 1ttf s VAL 10 N -3.32 5.02 -0.00 3.70 1.01 -1.26 -2.70 120.40 122.85 1ttf s VAL 10 Ca -0.01 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1ttf s VAL 10 Cb -0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1ttf s VAL 10 CO -0.09 -0.20 0.50 0.58 0.00 0.00 0.00 175.10 175.89 1ttf h VAL 11 N 5.60 0.00 -3.78 2.92 2.07 -1.85 -3.49 116.25 117.72 1ttf h VAL 11 Ca -0.28 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 1ttf h VAL 11 Cb 1.13 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1ttf h VAL 11 CO 0.77 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 178.26 1ttf s ALA 12 N -3.15 0.15 0.10 1.67 0.00 -1.26 -5.06 121.76 114.21 1ttf s ALA 12 Ca -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 1ttf s ALA 12 Cb 0.00 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 1ttf s ALA 12 CO 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 175.76 174.99 1ttf s ALA 13 N -3.37 0.64 0.12 0.00 0.00 -1.26 -2.56 121.76 115.33 1ttf s ALA 13 Ca 0.25 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1ttf s ALA 13 Cb -0.01 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1ttf s ALA 13 CO 0.14 -0.44 -0.05 0.95 0.00 0.00 0.00 175.76 176.36 1ttf s THR 14 N -3.98 0.73 -0.01 0.00 -4.23 0.15 -4.97 115.64 103.33 1ttf s THR 14 Ca 0.16 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.81 1ttf s THR 14 Cb 0.07 -1.82 0.11 0.00 1.34 0.00 0.00 72.50 72.20 1ttf s THR 14 CO -0.04 -0.75 1.20 -2.65 -0.54 0.00 0.00 174.62 171.83 1ttf n PRO 15 N -0.11 0.07 -2.70 3.99 -0.02 -1.26 -2.25 135.00 132.72 1ttf n PRO 15 Ca -0.10 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1ttf n PRO 15 Cb 0.61 -2.07 0.11 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.94 0.07 -3.65 3.45 -2.24 -1.26 -4.94 114.28 103.76 1ttf n THR 16 Ca -0.01 -1.63 -0.02 0.00 -2.27 0.00 0.00 64.05 60.12 1ttf n THR 16 Cb 0.35 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 1ttf n THR 16 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ttf s SER 17 N -1.35 -0.02 -0.00 3.42 0.01 -0.96 -4.52 113.70 110.28 1ttf s SER 17 Ca 0.22 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.55 1ttf s SER 17 Cb 0.40 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 1ttf s SER 17 CO -0.08 -0.01 -0.13 -0.22 0.41 0.00 0.00 173.24 173.21 1ttf s LEU 18 N -0.31 2.05 -0.27 2.44 2.96 -0.41 0.33 118.68 125.46 1ttf s LEU 18 Ca 0.08 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1ttf s LEU 18 Cb -0.04 -0.65 0.06 0.00 0.50 0.00 0.00 46.19 46.06 1ttf s LEU 18 CO -0.14 0.14 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.74 1ttf s LEU 19 N -0.42 3.60 0.03 -0.68 1.98 -1.06 -2.16 118.68 119.97 1ttf s LEU 19 Ca 0.04 -1.33 0.02 0.00 -2.89 0.00 0.00 54.13 49.97 1ttf s LEU 19 Cb -0.05 -1.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 1ttf s LEU 19 CO -0.00 -0.21 0.04 0.27 -1.89 0.00 0.00 176.35 174.56 1ttf s ILE 20 N 1.16 4.39 -0.08 6.68 -5.25 -1.06 -2.42 121.20 124.63 1ttf s ILE 20 Ca -0.07 -0.65 -0.06 0.00 -0.99 0.00 0.00 60.65 58.88 1ttf s ILE 20 Cb -0.20 -3.03 0.03 0.00 2.95 0.00 0.00 42.46 42.21 1ttf s ILE 20 CO -0.04 0.27 0.20 -0.94 -1.79 0.00 0.00 174.94 172.64 1ttf s SER 21 N -1.93 -0.21 0.00 4.36 1.04 -1.10 -2.40 113.70 113.46 1ttf s SER 21 Ca 0.24 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1ttf s SER 21 Cb -0.12 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1ttf s SER 21 CO 0.15 -0.10 0.00 -2.67 0.98 0.00 0.00 173.24 171.61 1ttf n TRP 22 N 3.38 0.00 -4.01 5.02 2.14 -0.99 -1.76 117.44 121.22 1ttf n TRP 22 Ca -0.17 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.30 1ttf n TRP 22 Cb 0.57 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.00 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 -0.01 0.03 -0.67 -1.08 -1.14 -4.83 116.67 109.97 1ttf s ASP 23 Ca 0.00 -0.97 0.03 0.00 -0.52 0.00 0.00 52.55 51.09 1ttf s ASP 23 Cb 0.00 0.50 -0.02 0.00 -1.46 0.00 0.00 42.92 41.94 1ttf s ASP 23 CO 0.00 -1.00 -0.10 0.00 0.52 0.00 0.00 175.17 174.58 1ttf s ALA 24 N -4.02 0.83 1.34 3.66 0.00 -1.26 -4.50 121.76 117.81 1ttf s ALA 24 Ca 0.23 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 1ttf s ALA 24 Cb 0.02 -0.10 0.27 0.00 0.00 0.00 0.00 23.12 23.31 1ttf s ALA 24 CO 0.06 0.12 0.60 -0.35 0.00 0.00 0.00 175.76 176.20 1ttf n PRO 25 N 2.01 -4.03 -0.06 0.00 -0.04 -1.26 -4.96 135.00 126.66 1ttf n PRO 25 Ca -0.18 -1.02 -0.10 0.00 -0.04 0.00 0.00 63.50 62.16 1ttf n PRO 25 Cb 0.55 -1.33 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 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 -4.99 1.47 -0.69 0.55 0.00 -1.26 -4.95 120.51 110.65 1ttf n ALA 26 Ca -0.14 -1.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.00 1ttf n ALA 26 Cb 0.42 -0.55 0.20 0.00 0.00 0.00 0.00 19.45 19.52 1ttf n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ttf s VAL 27 N -2.55 2.14 -0.35 0.00 0.11 -1.26 -4.87 120.40 113.61 1ttf s VAL 27 Ca -0.09 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1ttf s VAL 27 Cb 0.07 -2.13 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1ttf s VAL 27 CO 0.82 -0.06 1.49 0.42 -3.33 0.00 0.00 175.10 174.44 1ttf s THR 28 N -2.60 3.84 0.01 5.04 -4.23 -1.26 -4.99 115.64 111.45 1ttf s THR 28 Ca 0.67 0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 62.05 1ttf s THR 28 Cb -0.23 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 1ttf s THR 28 CO 0.61 -0.58 0.20 -0.69 -0.54 0.00 0.00 174.62 173.61 1ttf s VAL 29 N 5.45 5.41 0.00 2.29 1.01 -1.26 -4.91 120.40 128.39 1ttf s VAL 29 Ca 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1ttf s VAL 29 Cb -0.17 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1ttf s VAL 29 CO 0.31 0.27 0.35 0.54 0.00 0.00 0.00 175.10 176.56 1ttf n ARG 30 N 0.74 0.00 -3.60 2.72 5.12 -1.15 -4.84 116.66 115.65 1ttf n ARG 30 Ca -0.09 0.49 -0.10 0.00 -1.93 0.00 0.00 57.85 56.22 1ttf n ARG 30 Cb 0.52 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.63 1ttf n ARG 30 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1ttf s TYR 31 N -1.68 -0.35 0.16 -1.55 -0.85 -1.07 -4.46 117.35 107.55 1ttf s TYR 31 Ca 0.00 0.05 0.11 0.00 -0.52 0.00 0.00 57.07 56.70 1ttf s TYR 31 Cb 0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1ttf s TYR 31 CO 0.00 -0.94 -0.24 0.71 -1.52 0.00 0.00 175.55 173.56 1ttf s TYR 32 N -3.82 2.21 -0.15 -3.49 1.51 0.24 -2.39 117.35 111.46 1ttf s TYR 32 Ca 0.05 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1ttf s TYR 32 Cb -0.02 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1ttf s TYR 32 CO -0.06 0.40 -0.03 1.03 -1.11 0.00 0.00 175.55 175.78 1ttf s ARG 33 N -2.42 1.18 -0.32 -0.62 0.52 -0.92 -1.55 118.95 114.82 1ttf s ARG 33 Ca 0.17 -0.39 -0.08 0.00 -0.52 0.00 0.00 55.73 54.90 1ttf s ARG 33 Cb -0.09 -1.84 0.01 0.00 0.52 0.00 0.00 34.95 33.55 1ttf s ARG 33 CO 0.08 -0.44 0.12 0.42 0.02 0.00 0.00 175.30 175.50 1ttf s ILE 34 N 1.73 4.21 -0.04 1.52 1.09 -0.72 -1.37 121.20 127.61 1ttf s ILE 34 Ca 0.01 -0.72 0.07 0.00 -1.10 0.00 0.00 60.65 58.91 1ttf s ILE 34 Cb -0.15 -3.23 -0.02 0.00 -1.06 0.00 0.00 42.46 38.01 1ttf s ILE 34 CO -0.07 -0.02 -0.25 0.42 -0.10 0.00 0.00 174.94 174.92 1ttf s THR 35 N 1.52 2.13 0.08 2.92 -4.23 -1.05 -2.23 115.64 114.77 1ttf s THR 35 Ca 0.02 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1ttf s THR 35 Cb -0.18 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 1ttf s THR 35 CO 0.04 0.58 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.92 1ttf s TYR 36 N -0.42 0.76 0.00 3.99 1.13 -0.80 -1.56 117.35 120.45 1ttf s TYR 36 Ca 0.04 -0.84 0.00 0.00 -1.41 0.00 0.00 57.07 54.86 1ttf s TYR 36 Cb -0.12 -0.46 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 1ttf s TYR 36 CO 0.01 -0.18 0.00 0.41 -2.51 0.00 0.00 175.55 173.29 1ttf n GLY 37 N 0.36 1.55 3.75 5.49 0.00 -0.97 -2.72 105.19 112.65 1ttf n GLY 37 Ca -0.15 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1ttf n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ttf s GLU 38 N -2.00 1.95 0.53 1.61 2.02 -1.26 -2.51 118.70 119.03 1ttf s GLU 38 Ca 0.00 1.23 -0.18 0.00 0.02 0.00 0.00 54.97 56.04 1ttf s GLU 38 Cb 0.00 -1.86 -0.06 0.00 0.10 0.00 0.00 34.13 32.31 1ttf s GLU 38 CO 0.00 -1.88 1.04 0.99 0.02 0.00 0.00 175.26 175.43 1ttf s THR 39 N -2.85 3.88 -1.71 3.63 2.01 -1.24 -3.50 115.64 115.85 1ttf s THR 39 Ca 0.62 1.03 -0.17 0.00 0.31 0.00 0.00 61.69 63.48 1ttf s THR 39 Cb -0.18 -3.45 0.15 0.00 0.01 0.00 0.00 72.50 69.03 1ttf s THR 39 CO 0.57 -0.39 0.66 0.61 -0.69 0.00 0.00 174.62 175.37 1ttf n GLY 40 N -0.68 -0.39 3.84 4.40 0.00 -1.26 -4.90 105.19 106.20 1ttf n GLY 40 Ca 0.09 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1ttf n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ttf s GLY 41 N -3.45 2.48 0.55 -0.02 0.00 -1.23 -4.94 107.32 100.71 1ttf s GLY 41 Ca 0.65 -0.19 0.37 0.00 0.00 0.00 0.00 44.72 45.55 1ttf s GLY 41 CO 0.95 0.14 2.11 3.43 0.00 0.00 0.00 173.10 179.73 1ttf h ASN 42 N 4.22 0.00 -3.16 1.64 2.35 -1.93 -3.42 115.58 115.28 1ttf h ASN 42 Ca -0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 1ttf h ASN 42 Cb 1.21 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.36 1ttf h ASN 42 CO 0.64 0.00 -0.03 -0.55 -1.65 0.00 0.00 177.43 175.84 1ttf s SER 43 N -5.07 -0.84 0.76 5.81 0.15 -1.26 -5.15 113.70 108.10 1ttf s SER 43 Ca -0.02 1.39 -0.15 0.00 0.70 0.00 0.00 55.95 57.87 1ttf s SER 43 Cb 0.11 1.28 0.06 0.00 -1.71 0.00 0.00 66.02 65.75 1ttf s SER 43 CO 0.41 -0.23 1.24 -2.16 1.20 0.00 0.00 173.24 173.70 1ttf s PRO 44 N 1.44 1.86 0.00 5.44 0.04 -1.26 -4.85 135.00 137.67 1ttf s PRO 44 Ca -0.09 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1ttf s PRO 44 Cb -0.06 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1ttf s PRO 44 CO -0.16 -2.07 0.73 0.28 0.04 0.00 0.00 177.00 175.81 1ttf h VAL 45 N -0.51 0.00 -2.13 -0.36 2.07 -1.87 -3.49 116.25 109.97 1ttf h VAL 45 Ca -0.48 -0.09 0.31 0.00 0.82 0.00 0.00 66.70 67.26 1ttf h VAL 45 Cb 1.31 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1ttf h VAL 45 CO 0.48 0.00 0.84 -1.58 0.02 0.00 0.00 177.57 177.33 1ttf s GLN 46 N -2.80 0.53 -0.18 1.57 0.74 -1.10 -5.05 119.66 113.37 1ttf s GLN 46 Ca -0.03 -0.34 -0.30 0.00 0.05 0.00 0.00 55.36 54.74 1ttf s GLN 46 Cb 0.00 0.15 0.14 0.00 1.10 0.00 0.00 33.01 34.40 1ttf s GLN 46 CO 0.10 -0.25 1.07 -1.83 -0.55 0.00 0.00 175.29 173.82 1ttf s GLU 47 N -2.09 0.49 0.15 1.67 -1.05 -1.26 -1.90 118.70 114.71 1ttf s GLU 47 Ca 0.27 0.11 -0.07 0.00 -0.15 0.00 0.00 54.97 55.12 1ttf s GLU 47 Cb -0.00 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1ttf s GLU 47 CO -0.00 -0.16 0.23 -0.59 0.95 0.00 0.00 175.26 175.69 1ttf s PHE 48 N -1.15 0.46 0.22 4.83 -0.12 -0.95 -5.00 117.98 116.27 1ttf s PHE 48 Ca 0.01 -0.83 0.10 0.00 -0.05 0.00 0.00 56.93 56.16 1ttf s PHE 48 Cb -0.01 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1ttf s PHE 48 CO -0.01 -0.66 -0.14 0.95 -0.05 0.00 0.00 175.22 175.31 1ttf s THR 49 N -3.97 2.85 0.01 -4.49 -4.23 -1.26 -1.76 115.64 102.79 1ttf s THR 49 Ca 0.17 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1ttf s THR 49 Cb 0.04 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1ttf s THR 49 CO -0.01 -0.21 0.19 0.68 -0.54 0.00 0.00 174.62 174.73 1ttf s VAL 50 N -1.95 0.09 -0.92 2.29 -7.23 -0.59 -4.97 120.40 107.11 1ttf s VAL 50 Ca 0.26 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1ttf s VAL 50 Cb -0.07 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.23 1ttf s VAL 50 CO 0.14 -0.40 0.08 -0.81 -0.31 0.00 0.00 175.10 173.80 1ttf n PRO 51 N 1.15 0.15 -0.83 4.82 -0.04 -1.26 -0.59 135.00 138.39 1ttf n PRO 51 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1ttf n PRO 51 Cb 0.57 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.47 0.26 0.11 0.55 0.00 -1.26 -4.65 105.19 100.65 1ttf n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.32 -3.05 1.61 0.02 -1.94 -3.43 113.55 107.08 1ttf h SER 53 Ca 0.00 -0.92 -0.56 0.00 -0.84 0.00 0.00 61.79 59.48 1ttf h SER 53 Cb 0.31 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 1ttf h SER 53 CO 0.00 1.35 1.09 -0.75 -1.14 0.00 0.00 176.83 177.38 1ttf s LYS 54 N -2.38 3.42 -0.01 3.45 2.47 -1.26 -4.83 119.74 120.59 1ttf s LYS 54 Ca -0.17 0.68 0.03 0.00 -1.56 0.00 0.00 55.97 54.95 1ttf s LYS 54 Cb 0.01 -4.08 0.10 0.00 -1.46 0.00 0.00 37.83 32.40 1ttf s LYS 54 CO 0.77 -1.77 0.91 0.43 0.16 0.00 0.00 175.35 175.85 1ttf n SER 55 N 9.25 1.03 -4.15 1.43 7.64 -1.26 -4.82 113.62 122.74 1ttf n SER 55 Ca 0.14 -2.06 -0.10 0.00 1.01 0.00 0.00 58.87 57.87 1ttf n SER 55 Cb 0.49 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.32 1ttf n SER 55 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ttf s THR 56 N -1.60 0.29 -0.27 0.44 -4.23 -1.26 -2.35 115.64 106.65 1ttf s THR 56 Ca 0.07 -1.90 -0.24 0.00 -1.18 0.00 0.00 61.69 58.44 1ttf s THR 56 Cb 0.05 -1.90 0.09 0.00 1.34 0.00 0.00 72.50 72.07 1ttf s THR 56 CO 0.04 -0.63 0.81 0.00 -0.54 0.00 0.00 174.62 174.30 1ttf s ALA 57 N -3.91 -1.85 -0.12 3.99 0.00 -1.01 -5.03 121.76 113.84 1ttf s ALA 57 Ca 0.19 2.00 -0.01 0.00 0.00 0.00 0.00 51.96 54.14 1ttf s ALA 57 Cb 0.07 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1ttf s ALA 57 CO -0.01 -0.31 -0.06 0.99 0.00 0.00 0.00 175.76 176.37 1ttf s THR 58 N 0.40 3.73 0.10 0.00 2.01 -1.26 -2.56 115.64 118.06 1ttf s THR 58 Ca 0.00 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1ttf s THR 58 Cb -0.05 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1ttf s THR 58 CO -0.02 0.54 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.83 1ttf s ILE 59 N -0.13 0.98 0.00 1.82 2.07 -0.92 -5.04 121.20 119.99 1ttf s ILE 59 Ca 0.02 -1.59 0.00 0.00 -1.41 0.00 0.00 60.65 57.66 1ttf s ILE 59 Cb -0.13 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 41.14 1ttf s ILE 59 CO 0.03 -0.50 0.00 -0.24 -1.91 0.00 0.00 174.94 172.31 1ttf n SER 60 N 0.66 0.36 -2.60 4.50 2.88 -1.26 -1.29 113.62 116.86 1ttf n SER 60 Ca -0.17 -0.79 -0.02 0.00 -1.33 0.00 0.00 58.87 56.56 1ttf n SER 60 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ttf n GLY 61 N 0.89 -1.06 3.59 0.46 0.00 -1.26 -4.97 105.19 102.83 1ttf n GLY 61 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 46.02 46.29 1ttf n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ttf s LEU 62 N -2.98 2.11 -0.11 0.99 1.43 -1.26 -5.10 118.68 113.77 1ttf s LEU 62 Ca 0.07 -1.65 0.03 0.00 -1.03 0.00 0.00 54.13 51.56 1ttf s LEU 62 Cb -0.02 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.88 1ttf s LEU 62 CO 0.56 -0.88 -0.23 -0.75 0.23 0.00 0.00 176.35 175.28 1ttf s LYS 63 N -3.77 2.96 -0.69 1.70 2.47 -1.26 -5.05 119.74 116.10 1ttf s LYS 63 Ca 0.19 -0.84 -0.26 0.00 -1.56 0.00 0.00 55.97 53.50 1ttf s LYS 63 Cb 0.03 -2.29 -0.13 0.00 -1.46 0.00 0.00 37.83 33.97 1ttf s LYS 63 CO 0.11 0.10 2.47 -2.30 0.16 0.00 0.00 175.35 175.90 1ttf n PRO 64 N 3.73 0.65 -1.61 4.03 -0.02 -1.26 -3.85 135.00 136.68 1ttf n PRO 64 Ca -0.19 -0.12 -0.00 0.00 -2.02 0.00 0.00 63.50 61.16 1ttf n PRO 64 Cb 0.52 -2.85 -0.00 0.00 -0.02 0.00 0.00 33.50 31.15 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 6.21 -3.11 3.64 -1.23 0.00 -1.18 -5.12 105.19 104.40 1ttf n GLY 65 Ca 0.48 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.09 0.00 -0.23 1.61 0.11 -0.87 -4.96 120.40 115.97 1ttf s VAL 66 Ca -0.02 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.74 1ttf s VAL 66 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1ttf s VAL 66 CO 0.08 0.00 2.23 -0.67 -3.33 0.00 0.00 175.10 173.41 1ttf n ASP 67 N 2.47 3.16 -4.63 3.54 2.03 -1.26 -2.22 116.55 119.64 1ttf n ASP 67 Ca -0.13 0.19 -0.34 0.00 0.52 0.00 0.00 54.79 55.03 1ttf n ASP 67 Cb 0.56 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.32 1ttf n ASP 67 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1ttf s TYR 68 N 8.39 3.04 -0.08 -0.67 2.02 -1.02 -3.64 117.35 125.38 1ttf s TYR 68 Ca 1.02 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 57.85 1ttf s TYR 68 Cb -0.36 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1ttf s TYR 68 CO 0.36 0.40 -0.19 0.95 -1.57 0.00 0.00 175.55 175.50 1ttf s THR 69 N -0.86 1.68 0.25 -0.71 -4.23 -1.05 -1.63 115.64 109.09 1ttf s THR 69 Ca 0.13 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 1ttf s THR 69 Cb -0.11 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 1ttf s THR 69 CO 0.02 0.48 -0.10 0.27 -0.54 0.00 0.00 174.62 174.75 1ttf s ILE 70 N 0.43 1.73 -0.20 2.99 -4.36 -1.07 -2.29 121.20 118.45 1ttf s ILE 70 Ca -0.16 -2.18 -0.05 0.00 -0.26 0.00 0.00 60.65 58.00 1ttf s ILE 70 Cb -0.17 -2.28 0.10 0.00 1.25 0.00 0.00 42.46 41.36 1ttf s ILE 70 CO 0.07 -0.42 0.37 -0.89 0.24 0.00 0.00 174.94 174.30 1ttf s THR 71 N -2.96 -0.58 -0.26 8.37 2.01 -0.60 -2.30 115.64 119.32 1ttf s THR 71 Ca 0.27 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.28 1ttf s THR 71 Cb 0.01 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1ttf s THR 71 CO 0.10 0.00 0.13 0.68 -0.69 0.00 0.00 174.62 174.85 1ttf s VAL 72 N 2.54 4.88 -0.18 3.82 -7.23 -0.76 -2.55 120.40 120.91 1ttf s VAL 72 Ca 0.04 0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 60.12 1ttf s VAL 72 Cb -0.13 -3.29 -0.05 0.00 0.56 0.00 0.00 36.38 33.47 1ttf s VAL 72 CO -0.13 0.31 0.17 -0.31 -0.31 0.00 0.00 175.10 174.83 1ttf s TYR 73 N 1.53 3.44 -0.74 2.82 1.51 -0.47 -2.78 117.35 122.65 1ttf s TYR 73 Ca 0.06 0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 56.45 1ttf s TYR 73 Cb -0.15 -2.18 0.19 0.00 -0.11 0.00 0.00 41.96 39.71 1ttf s TYR 73 CO 0.07 0.32 0.62 0.00 -1.11 0.00 0.00 175.55 175.44 1ttf s ALA 74 N 0.25 3.86 -0.15 3.71 0.00 -1.26 -2.16 121.76 126.01 1ttf s ALA 74 Ca 0.11 -3.33 -0.18 0.00 0.00 0.00 0.00 51.96 48.56 1ttf s ALA 74 Cb -0.12 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ttf s ALA 74 CO -0.00 -2.20 0.47 0.08 0.00 0.00 0.00 175.76 174.11 1ttf s VAL 75 N -0.04 5.18 0.00 0.00 1.01 -1.00 -4.83 120.40 120.71 1ttf s VAL 75 Ca 0.18 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1ttf s VAL 75 Cb -0.15 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1ttf s VAL 75 CO -0.06 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.67 1ttf n THR 76 N 3.97 0.00 -1.53 3.92 -2.24 -1.26 -2.60 114.28 114.54 1ttf n THR 76 Ca -0.07 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1ttf n THR 76 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 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 2.88 -3.68 0.05 3.38 0.00 -1.26 -4.64 105.19 101.92 1ttf n GLY 77 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.42 1.76 -0.66 1.61 1.74 -1.26 -4.83 116.66 111.60 1ttf n ARG 78 Ca -0.04 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 1ttf n ARG 78 Cb 0.58 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttf n GLY 79 N -1.16 0.25 0.00 -0.13 0.00 -1.26 -5.00 105.19 97.89 1ttf n GLY 79 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.37 0.00 -3.37 1.61 5.68 -1.26 -5.04 116.55 113.81 1ttf n ASP 80 Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.03 1ttf n ASP 80 Cb 0.15 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.04 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1ttf n SER 81 N 0.00 1.47 -4.58 -1.12 2.88 -1.26 -5.07 113.62 105.94 1ttf n SER 81 Ca 0.00 -2.93 -0.41 0.00 -1.33 0.00 0.00 58.87 54.20 1ttf n SER 81 Cb 0.00 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 62.78 1ttf n SER 81 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ttf s PRO 82 N -1.42 2.88 -0.55 -1.46 0.05 -1.26 -4.89 135.00 128.35 1ttf s PRO 82 Ca 0.35 1.38 0.05 0.00 0.05 0.00 0.00 61.00 62.83 1ttf s PRO 82 Cb 0.12 -4.36 0.18 0.00 0.05 0.00 0.00 34.50 30.49 1ttf s PRO 82 CO -0.10 -2.40 0.44 0.00 0.05 0.00 0.00 177.00 174.99 1ttf n ALA 83 N 12.30 3.14 -2.56 8.56 0.00 -1.26 -5.04 120.51 135.64 1ttf n ALA 83 Ca 0.27 -3.82 -0.42 0.00 0.00 0.00 0.00 53.44 49.47 1ttf n ALA 83 Cb 0.49 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 1ttf n ALA 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ttf s SER 84 N -0.78 6.61 -0.16 0.00 1.04 -1.26 -4.68 113.70 114.46 1ttf s SER 84 Ca 0.30 -1.78 0.18 0.00 0.48 0.00 0.00 55.95 55.13 1ttf s SER 84 Cb 0.02 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 63.98 1ttf s SER 84 CO -0.17 -1.40 1.30 -1.54 0.98 0.00 0.00 173.24 172.40 1ttf n SER 85 N 8.75 3.14 -0.26 7.02 3.41 -1.26 -4.62 113.62 129.80 1ttf n SER 85 Ca 0.38 -3.08 0.03 0.00 -0.26 0.00 0.00 58.87 55.95 1ttf n SER 85 Cb 0.49 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.95 0.07 -1.84 4.33 5.02 -1.26 -5.05 118.16 118.47 1ttf n LYS 86 Ca 0.19 -0.93 -0.37 0.00 -2.02 0.00 0.00 58.31 55.18 1ttf n LYS 86 Cb 0.78 -1.12 0.05 0.00 -0.02 0.00 0.00 35.03 34.72 1ttf n LYS 86 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ttf s PRO 87 N -0.55 2.78 0.13 1.97 0.04 -1.26 -4.75 135.00 133.36 1ttf s PRO 87 Ca 0.08 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 1ttf s PRO 87 Cb 0.05 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1ttf s PRO 87 CO 0.08 -1.40 0.26 -1.50 0.04 0.00 0.00 177.00 174.48 1ttf s ILE 88 N -1.44 0.10 0.13 0.56 1.10 -1.12 -5.03 121.20 115.51 1ttf s ILE 88 Ca 0.79 -1.17 -0.00 0.00 -0.51 0.00 0.00 60.65 59.76 1ttf s ILE 88 Cb -0.36 -1.52 -0.04 0.00 0.15 0.00 0.00 42.46 40.69 1ttf s ILE 88 CO 0.39 -0.46 0.04 -0.94 -2.11 0.00 0.00 174.94 171.85 1ttf s SER 89 N -2.90 0.52 -0.15 4.50 1.04 -1.26 -1.84 113.70 113.62 1ttf s SER 89 Ca 0.09 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.23 1ttf s SER 89 Cb 0.04 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1ttf s SER 89 CO -0.07 -0.68 0.37 0.27 0.98 0.00 0.00 173.24 174.11 1ttf s ILE 90 N -3.95 -0.01 -0.14 -1.02 -4.36 -0.97 -4.99 121.20 105.75 1ttf s ILE 90 Ca 0.23 0.05 -0.03 0.00 -0.26 0.00 0.00 60.65 60.64 1ttf s ILE 90 Cb 0.07 -0.54 -0.03 0.00 1.25 0.00 0.00 42.46 43.21 1ttf s ILE 90 CO 0.01 0.02 -0.05 0.21 0.24 0.00 0.00 174.94 175.38 1ttf s ASN 91 N 0.72 4.75 -0.28 4.36 2.47 -1.26 -2.58 114.94 123.12 1ttf s ASN 91 Ca -0.04 -0.11 -0.21 0.00 0.42 0.00 0.00 52.86 52.91 1ttf s ASN 91 Cb -0.05 -1.67 0.09 0.00 -1.45 0.00 0.00 41.25 38.16 1ttf s ASN 91 CO -0.05 0.21 0.77 -0.47 -3.72 0.00 0.00 177.10 173.83 1ttf s TYR 92 N 0.13 -0.83 -0.22 0.43 5.04 -0.64 -4.97 117.35 116.28 1ttf s TYR 92 Ca -0.02 1.85 -0.29 0.00 -2.44 0.00 0.00 57.07 56.17 1ttf s TYR 92 Cb -0.14 0.42 -0.03 0.00 0.35 0.00 0.00 41.96 42.56 1ttf s TYR 92 CO 0.03 -0.41 1.70 1.03 -1.34 0.00 0.00 175.55 176.56 1ttf s ARG 93 N 0.87 3.70 0.00 4.97 0.52 -1.26 -2.44 118.95 125.32 1ttf s ARG 93 Ca -0.04 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.87 1ttf s ARG 93 Cb -0.05 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1ttf s ARG 93 CO -0.08 -1.41 0.50 0.25 0.02 0.00 0.00 175.30 174.58