#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 -0.13 -2.74 6.55 3.41 -1.26 -4.94 113.62 114.50 1ttf n SER 2 Ca 0.00 -2.18 -0.09 0.00 -0.26 0.00 0.00 58.87 56.34 1ttf n SER 2 Cb 0.00 0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.03 -1.13 -4.68 4.04 8.00 -1.26 -4.70 116.55 115.79 1ttf n ASP 3 Ca -0.06 -2.84 -0.35 0.00 0.71 0.00 0.00 54.79 52.25 1ttf n ASP 3 Cb 0.84 0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 42.64 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 4.58 0.87 2.53 1.01 -1.26 -4.91 120.40 122.57 1ttf s VAL 4 Ca 0.25 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1ttf s VAL 4 Cb 0.38 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.86 1ttf s VAL 4 CO -0.06 0.55 0.97 -2.65 0.00 0.00 0.00 175.10 173.92 1ttf n PRO 5 N 2.68 -0.15 -3.11 2.72 -0.02 -1.26 -4.90 135.00 130.96 1ttf n PRO 5 Ca -0.18 0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 1ttf n PRO 5 Cb 0.53 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1ttf n PRO 5 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ttf n ARG 6 N -3.14 0.15 -3.78 -0.52 1.85 -1.26 -5.05 116.66 104.91 1ttf n ARG 6 Ca 0.11 -0.53 -0.33 0.00 -1.00 0.00 0.00 57.85 56.11 1ttf n ARG 6 Cb 0.52 0.84 0.02 0.00 -1.05 0.00 0.00 32.46 32.79 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 -0.76 -5.05 -4.58 2.89 9.92 -1.26 -3.21 116.55 114.50 1ttf n ASP 7 Ca 0.02 -1.03 -0.38 0.00 -0.53 0.00 0.00 54.79 52.88 1ttf n ASP 7 Cb 0.35 -2.61 -0.11 0.00 -0.64 0.00 0.00 41.12 38.11 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ttf s LEU 8 N -6.28 3.93 0.35 0.64 1.43 -1.26 -4.14 118.68 113.36 1ttf s LEU 8 Ca 0.35 -0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 1ttf s LEU 8 Cb -0.15 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1ttf s LEU 8 CO 0.90 -0.03 0.72 -1.61 0.23 0.00 0.00 176.35 176.56 1ttf s GLU 9 N 1.63 2.07 -0.20 1.70 2.02 -1.07 -5.06 118.70 119.80 1ttf s GLU 9 Ca 0.07 -1.37 -0.05 0.00 0.02 0.00 0.00 54.97 53.64 1ttf s GLU 9 Cb -0.16 0.60 -0.02 0.00 0.10 0.00 0.00 34.13 34.65 1ttf s GLU 9 CO 0.09 -0.95 -0.01 0.08 0.02 0.00 0.00 175.26 174.49 1ttf s VAL 10 N -2.82 3.83 0.00 2.63 1.01 -1.26 -2.42 120.40 121.37 1ttf s VAL 10 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1ttf s VAL 10 Cb -0.05 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ttf s VAL 10 CO 0.11 0.43 0.46 0.52 0.00 0.00 0.00 175.10 176.63 1ttf n VAL 11 N 4.30 0.00 -4.10 2.92 0.31 -0.88 -4.99 118.33 115.88 1ttf n VAL 11 Ca -0.17 0.91 -0.13 0.00 -0.01 0.00 0.00 64.34 64.93 1ttf n VAL 11 Cb 0.52 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.99 0.64 0.26 3.52 0.00 -1.25 -5.06 121.76 116.89 1ttf s ALA 12 Ca 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.57 1ttf s ALA 12 Cb 0.00 1.20 -0.05 0.00 0.00 0.00 0.00 23.12 24.27 1ttf s ALA 12 CO 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 175.76 175.05 1ttf s ALA 13 N -3.59 1.91 0.10 0.00 0.00 -1.26 -2.18 121.76 116.74 1ttf s ALA 13 Ca 0.31 -1.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.29 1ttf s ALA 13 Cb 0.01 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1ttf s ALA 13 CO 0.16 -0.35 0.24 0.95 0.00 0.00 0.00 175.76 176.76 1ttf s THR 14 N -3.52 0.12 -0.74 0.00 -4.23 0.11 -4.99 115.64 102.40 1ttf s THR 14 Ca 0.34 -1.11 -0.28 0.00 -1.18 0.00 0.00 61.69 59.46 1ttf s THR 14 Cb 0.07 -1.37 -0.14 0.00 1.34 0.00 0.00 72.50 72.40 1ttf s THR 14 CO 0.12 -0.56 2.54 -2.65 -0.54 0.00 0.00 174.62 173.54 1ttf n PRO 15 N -0.11 0.54 -2.73 3.99 -0.02 -1.26 -0.17 135.00 135.25 1ttf n PRO 15 Ca -0.14 -0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.26 1ttf n PRO 15 Cb 0.63 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 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 7.75 -0.82 -3.63 3.45 -1.04 -1.26 -5.04 114.28 113.69 1ttf n THR 16 Ca 0.51 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 62.42 1ttf n THR 16 Cb 0.30 -2.22 -0.07 0.00 -1.82 0.00 0.00 70.33 66.52 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 -3.11 -0.43 0.09 8.00 1.04 0.76 -4.40 113.70 115.67 1ttf s SER 17 Ca 0.13 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.41 1ttf s SER 17 Cb -0.06 0.79 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1ttf s SER 17 CO 0.18 -0.17 -0.14 -0.22 0.98 0.00 0.00 173.24 173.88 1ttf s LEU 18 N 0.08 2.33 -0.23 2.42 2.96 0.20 0.05 118.68 126.49 1ttf s LEU 18 Ca 0.03 -0.70 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1ttf s LEU 18 Cb -0.05 -0.52 0.06 0.00 0.50 0.00 0.00 46.19 46.18 1ttf s LEU 18 CO -0.06 -0.11 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.59 1ttf s LEU 19 N -2.05 2.45 0.20 -0.68 2.96 -0.93 -1.26 118.68 119.38 1ttf s LEU 19 Ca 0.03 -1.12 0.05 0.00 -0.22 0.00 0.00 54.13 52.86 1ttf s LEU 19 Cb -0.08 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1ttf s LEU 19 CO 0.02 -0.23 0.28 0.27 -1.32 0.00 0.00 176.35 175.38 1ttf s ILE 20 N 1.43 5.06 -0.16 6.68 -5.25 -0.97 -2.07 121.20 125.91 1ttf s ILE 20 Ca -0.05 -0.97 -0.13 0.00 -0.99 0.00 0.00 60.65 58.50 1ttf s ILE 20 Cb -0.18 -3.68 0.05 0.00 2.95 0.00 0.00 42.46 41.59 1ttf s ILE 20 CO -0.06 -0.23 0.42 -0.94 -1.79 0.00 0.00 174.94 172.33 1ttf s SER 21 N -3.62 -0.46 0.00 4.36 1.04 -1.02 -2.33 113.70 111.68 1ttf s SER 21 Ca 0.34 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1ttf s SER 21 Cb -0.10 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1ttf s SER 21 CO 0.27 -0.16 0.00 -2.67 0.98 0.00 0.00 173.24 171.67 1ttf n TRP 22 N 3.20 0.00 -4.09 5.02 2.14 -1.01 -2.60 117.44 120.10 1ttf n TRP 22 Ca -0.16 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.24 1ttf n TRP 22 Cb 0.57 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.91 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 0.64 -0.15 -0.67 -1.08 -1.20 -4.86 116.67 110.35 1ttf s ASP 23 Ca 0.00 -0.08 -0.08 0.00 -0.52 0.00 0.00 52.55 51.87 1ttf s ASP 23 Cb 0.00 -0.25 -0.04 0.00 -1.46 0.00 0.00 42.92 41.17 1ttf s ASP 23 CO 0.00 -0.03 0.12 0.00 0.52 0.00 0.00 175.17 175.79 1ttf s ALA 24 N 0.59 3.75 1.44 3.66 0.00 -1.26 -4.42 121.76 125.52 1ttf s ALA 24 Ca -0.07 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 1ttf s ALA 24 Cb -0.10 -2.01 0.37 0.00 0.00 0.00 0.00 23.12 21.38 1ttf s ALA 24 CO -0.01 0.43 0.92 -1.25 0.00 0.00 0.00 175.76 175.85 1ttf s PRO 25 N -0.44 -3.04 -0.84 0.00 0.04 -1.26 -4.91 135.00 124.55 1ttf s PRO 25 Ca 0.12 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 1ttf s PRO 25 Cb -0.12 -1.36 0.35 0.00 0.04 0.00 0.00 34.50 33.41 1ttf s PRO 25 CO 0.02 -4.95 1.87 0.00 0.04 0.00 0.00 177.00 173.97 1ttf n ALA 26 N -5.70 6.24 -2.29 8.56 0.00 -1.26 -4.95 120.51 121.12 1ttf n ALA 26 Ca 0.12 -4.25 -0.15 0.00 0.00 0.00 0.00 53.44 49.16 1ttf n ALA 26 Cb 0.60 -1.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 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 -4.97 0.47 -0.98 0.00 -7.23 -1.26 -5.03 120.40 101.40 1ttf s VAL 27 Ca 0.49 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.43 1ttf s VAL 27 Cb 0.38 -2.57 -0.13 0.00 0.56 0.00 0.00 36.38 34.62 1ttf s VAL 27 CO -0.33 -0.04 1.92 0.41 -0.31 0.00 0.00 175.10 176.75 1ttf n THR 28 N -0.41 1.76 -1.98 5.32 -1.04 -1.26 -4.90 114.28 111.76 1ttf n THR 28 Ca -0.00 -1.72 -0.42 0.00 -2.04 0.00 0.00 64.05 59.87 1ttf n THR 28 Cb 0.66 -2.21 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 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 8.82 2.76 -0.06 12.58 1.01 -1.26 -4.81 120.40 139.44 1ttf s VAL 29 Ca 0.65 0.55 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 1ttf s VAL 29 Cb 0.05 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1ttf s VAL 29 CO 0.14 0.04 0.28 0.03 0.00 0.00 0.00 175.10 175.59 1ttf h ARG 30 N 6.75 -0.22 -3.46 2.72 2.47 -1.88 -3.43 114.38 117.33 1ttf h ARG 30 Ca -0.43 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 1ttf h ARG 30 Cb 1.21 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.49 1ttf h ARG 30 CO 0.90 -0.14 -0.02 0.71 0.56 0.00 0.00 179.97 181.98 1ttf s TYR 31 N -2.26 0.18 -0.03 3.04 2.02 -1.13 -4.41 117.35 114.78 1ttf s TYR 31 Ca -0.03 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1ttf s TYR 31 Cb 0.00 0.34 0.01 0.00 -0.40 0.00 0.00 41.96 41.91 1ttf s TYR 31 CO 0.10 -1.05 -0.04 0.71 -1.57 0.00 0.00 175.55 173.70 1ttf s TYR 32 N -3.98 0.57 -0.17 2.71 1.51 -0.67 -1.73 117.35 115.59 1ttf s TYR 32 Ca 0.18 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1ttf s TYR 32 Cb -0.02 -0.48 0.03 0.00 -0.11 0.00 0.00 41.96 41.37 1ttf s TYR 32 CO 0.08 -0.11 -0.15 0.50 -1.11 0.00 0.00 175.55 174.76 1ttf s ARG 33 N 0.55 2.42 -0.25 -0.62 3.52 -0.93 -0.99 118.95 122.65 1ttf s ARG 33 Ca -0.07 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.75 1ttf s ARG 33 Cb -0.10 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.96 1ttf s ARG 33 CO -0.00 -0.27 0.15 0.42 -0.81 0.00 0.00 175.30 174.79 1ttf s ILE 34 N 1.42 5.17 -0.04 4.11 1.01 -0.99 -0.70 121.20 131.18 1ttf s ILE 34 Ca 0.04 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1ttf s ILE 34 Cb -0.14 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1ttf s ILE 34 CO -0.11 0.32 -0.19 0.42 0.00 0.00 0.00 174.94 175.39 1ttf s THR 35 N 1.28 1.58 0.08 2.92 -4.23 -0.69 -1.70 115.64 114.87 1ttf s THR 35 Ca 0.07 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1ttf s THR 35 Cb -0.14 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 1ttf s THR 35 CO 0.06 0.45 -0.00 -0.72 -0.54 0.00 0.00 174.62 173.86 1ttf s TYR 36 N -0.11 0.64 -0.23 3.99 1.13 -1.00 -1.62 117.35 120.15 1ttf s TYR 36 Ca -0.01 -1.11 -0.31 0.00 -1.41 0.00 0.00 57.07 54.23 1ttf s TYR 36 Cb -0.11 -0.42 0.16 0.00 -1.10 0.00 0.00 41.96 40.49 1ttf s TYR 36 CO 0.02 -0.41 1.23 0.20 -2.51 0.00 0.00 175.55 174.08 1ttf s GLY 37 N -2.96 -0.09 0.36 5.49 0.00 -1.07 -2.06 107.32 106.99 1ttf s GLY 37 Ca 0.12 2.35 -0.25 0.00 0.00 0.00 0.00 44.72 46.94 1ttf s GLY 37 CO -0.06 0.96 1.02 -1.83 0.00 0.00 0.00 173.10 173.18 1ttf s GLU 38 N -1.35 4.35 0.34 2.90 -1.05 -1.26 -1.85 118.70 120.77 1ttf s GLU 38 Ca 0.06 1.46 -0.28 0.00 -0.15 0.00 0.00 54.97 56.07 1ttf s GLU 38 Cb -0.01 -2.68 -0.10 0.00 -0.44 0.00 0.00 34.13 30.91 1ttf s GLU 38 CO -0.05 0.04 1.22 0.99 0.95 0.00 0.00 175.26 178.41 1ttf s THR 39 N -1.62 3.03 0.00 1.83 2.01 -1.26 -4.63 115.64 115.01 1ttf s THR 39 Ca 0.54 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1ttf s THR 39 Cb -0.21 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1ttf s THR 39 CO 0.27 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1ttf n GLY 40 N 0.85 0.66 0.00 4.40 0.00 -1.26 -5.04 105.19 104.81 1ttf n GLY 40 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.96 2.44 -0.02 0.00 -1.26 -5.03 105.19 100.37 1ttf n GLY 41 Ca 0.00 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.40 1ttf n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ttf n ASN 42 N 0.00 2.84 -3.12 1.61 2.85 -1.26 -4.93 115.26 113.24 1ttf n ASN 42 Ca 0.00 -3.28 -0.21 0.00 -0.11 0.00 0.00 54.58 50.97 1ttf n ASN 42 Cb 0.00 -0.64 -0.05 0.00 1.24 0.00 0.00 39.78 40.33 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ttf n SER 43 N 0.72 -0.39 -4.73 1.20 2.88 -1.26 -5.11 113.62 106.93 1ttf n SER 43 Ca 0.28 -2.78 -0.42 0.00 -1.33 0.00 0.00 58.87 54.62 1ttf n SER 43 Cb 0.45 -0.21 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 1ttf n SER 43 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1ttf s PRO 44 N -0.81 4.22 0.01 -1.46 0.02 -1.26 -4.54 135.00 131.18 1ttf s PRO 44 Ca 0.34 2.37 -0.05 0.00 0.02 0.00 0.00 61.00 63.68 1ttf s PRO 44 Cb 0.17 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 1ttf s PRO 44 CO -0.14 -0.54 1.07 0.28 -0.33 0.00 0.00 177.00 177.35 1ttf h VAL 45 N 3.74 0.00 -0.38 3.83 2.07 -1.75 -3.48 116.25 120.28 1ttf h VAL 45 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ttf h VAL 45 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ttf h VAL 45 CO 0.84 0.00 0.00 1.67 0.02 0.00 0.00 177.57 180.10 1ttf n GLN 46 N -2.66 0.00 -3.76 1.57 -0.06 -1.12 -5.05 117.38 106.30 1ttf n GLN 46 Ca -0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.96 1ttf n GLN 46 Cb 0.06 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.24 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 1ttf s GLU 47 N 1.08 1.02 -0.27 3.69 -1.05 -1.26 -2.36 118.70 119.53 1ttf s GLU 47 Ca 0.00 -0.59 -0.23 0.00 -0.15 0.00 0.00 54.97 54.00 1ttf s GLU 47 Cb 0.00 0.33 0.08 0.00 -0.44 0.00 0.00 34.13 34.10 1ttf s GLU 47 CO 0.00 -0.47 0.78 -0.59 0.95 0.00 0.00 175.26 175.93 1ttf s PHE 48 N -2.82 -0.77 0.35 4.83 -0.12 -0.69 -5.00 117.98 113.76 1ttf s PHE 48 Ca 0.15 1.79 -0.12 0.00 -0.05 0.00 0.00 56.93 58.71 1ttf s PHE 48 Cb -0.00 0.35 -0.07 0.00 -0.63 0.00 0.00 43.02 42.66 1ttf s PHE 48 CO 0.01 -0.37 0.73 0.95 -0.05 0.00 0.00 175.22 176.49 1ttf s THR 49 N 0.58 4.76 -0.28 -4.49 -4.23 -1.26 -2.34 115.64 108.38 1ttf s THR 49 Ca -0.01 0.72 -0.22 0.00 -1.18 0.00 0.00 61.69 61.00 1ttf s THR 49 Cb -0.05 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.23 1ttf s THR 49 CO -0.04 -0.33 0.89 0.54 -0.54 0.00 0.00 174.62 175.14 1ttf s VAL 50 N -2.15 0.00 0.22 2.29 0.11 -0.16 -4.99 120.40 115.72 1ttf s VAL 50 Ca 0.52 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.25 1ttf s VAL 50 Cb -0.10 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.60 1ttf s VAL 50 CO 0.24 0.00 1.29 -2.65 -3.33 0.00 0.00 175.10 170.65 1ttf n PRO 51 N 2.94 1.65 0.00 1.54 -0.02 -1.26 -1.67 135.00 138.17 1ttf n PRO 51 Ca -0.15 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1ttf n PRO 51 Cb 0.56 -2.16 0.10 0.00 -0.02 0.00 0.00 33.50 31.98 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttf n GLY 52 N 2.03 -0.16 0.22 -1.23 0.00 -1.26 -2.38 105.19 102.41 1ttf n GLY 52 Ca 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 0.47 -3.09 1.61 0.87 -1.89 -3.42 113.55 108.11 1ttf h SER 53 Ca 0.00 -0.20 -0.58 0.00 -1.23 0.00 0.00 61.79 59.79 1ttf h SER 53 Cb 0.00 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.77 1ttf h SER 53 CO 0.00 0.81 0.81 -0.54 -0.53 0.00 0.00 176.83 177.38 1ttf s LYS 54 N -4.27 4.24 0.00 2.24 -0.14 -1.00 -4.89 119.74 115.92 1ttf s LYS 54 Ca -0.06 1.35 0.28 0.00 -1.36 0.00 0.00 55.97 56.18 1ttf s LYS 54 Cb 0.13 -3.66 1.16 0.00 -1.68 0.00 0.00 37.83 33.78 1ttf s LYS 54 CO 0.80 -0.66 1.84 0.43 -0.76 0.00 0.00 175.35 177.00 1ttf n SER 55 N 6.39 0.27 -4.14 2.83 7.64 -1.26 -4.86 113.62 120.50 1ttf n SER 55 Ca 0.12 -0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.75 1ttf n SER 55 Cb 0.46 -0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.72 0.51 -0.19 0.44 -4.23 -1.26 -2.40 115.64 105.79 1ttf s THR 56 Ca 0.22 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 58.62 1ttf s THR 56 Cb 0.19 -1.64 0.06 0.00 1.34 0.00 0.00 72.50 72.45 1ttf s THR 56 CO 0.52 -0.91 0.60 0.00 -0.54 0.00 0.00 174.62 174.30 1ttf s ALA 57 N -3.74 -1.50 -0.04 3.99 0.00 -0.99 -5.03 121.76 114.45 1ttf s ALA 57 Ca 0.10 1.58 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1ttf s ALA 57 Cb 0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1ttf s ALA 57 CO -0.06 -0.30 0.13 0.99 0.00 0.00 0.00 175.76 176.51 1ttf s THR 58 N 0.02 5.13 0.01 0.00 2.01 -1.26 -2.28 115.64 119.27 1ttf s THR 58 Ca -0.02 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1ttf s THR 58 Cb -0.04 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 1ttf s THR 58 CO 0.02 0.42 0.02 -0.51 -0.69 0.00 0.00 174.62 173.88 1ttf s ILE 59 N -1.18 0.10 -0.15 1.82 2.07 -0.39 -5.01 121.20 118.46 1ttf s ILE 59 Ca 0.22 -0.79 -0.07 0.00 -1.41 0.00 0.00 60.65 58.60 1ttf s ILE 59 Cb -0.12 -0.29 0.06 0.00 0.13 0.00 0.00 42.46 42.24 1ttf s ILE 59 CO 0.13 -0.44 0.33 -0.55 -1.91 0.00 0.00 174.94 172.50 1ttf s SER 60 N -1.34 -0.16 0.00 4.50 0.15 -1.26 -0.63 113.70 114.95 1ttf s SER 60 Ca -0.15 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1ttf s SER 60 Cb -0.09 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1ttf s SER 60 CO -0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ttf n GLY 61 N 4.81 -0.28 0.00 9.45 0.00 -1.26 -5.04 105.19 112.87 1ttf n GLY 61 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.14 0.99 -0.00 -1.26 -5.14 117.00 107.45 1ttf n LEU 62 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 1ttf n LEU 62 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1ttf n LEU 62 CO 0.00 0.00 -0.46 -0.54 -0.00 0.00 0.00 177.39 176.39 1ttf s LYS 63 N 3.01 0.92 -0.07 1.47 -0.14 -1.26 -5.02 119.74 118.66 1ttf s LYS 63 Ca 0.00 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 1ttf s LYS 63 Cb 0.00 -0.92 -0.04 0.00 -1.68 0.00 0.00 37.83 35.18 1ttf s LYS 63 CO 0.00 0.23 1.43 -1.25 -0.76 0.00 0.00 175.35 175.00 1ttf s PRO 64 N -1.11 4.24 -0.17 -1.68 0.04 -1.26 -4.37 135.00 130.68 1ttf s PRO 64 Ca 0.01 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 1ttf s PRO 64 Cb -0.08 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1ttf s PRO 64 CO 0.01 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1ttf n GLY 65 N 3.78 -3.61 3.60 0.56 0.00 -1.24 -5.10 105.19 103.19 1ttf n GLY 65 Ca 0.15 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.90 0.00 0.38 1.61 0.11 0.80 -5.04 120.40 117.35 1ttf s VAL 66 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1ttf s VAL 66 Cb -0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1ttf s VAL 66 CO 0.43 0.00 1.27 -0.62 -3.33 0.00 0.00 175.10 172.85 1ttf s ASP 67 N -0.94 6.51 0.01 3.54 2.15 -1.26 -2.30 116.67 124.38 1ttf s ASP 67 Ca 0.02 2.60 -0.06 0.00 0.43 0.00 0.00 52.55 55.54 1ttf s ASP 67 Cb -0.01 -2.64 -0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1ttf s ASP 67 CO -0.02 -0.71 0.11 -0.31 -0.17 0.00 0.00 175.17 174.07 1ttf s TYR 68 N -1.25 0.10 -0.14 -5.34 2.02 -0.34 -3.98 117.35 108.43 1ttf s TYR 68 Ca 0.54 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.99 1ttf s TYR 68 Cb -0.37 -0.09 0.01 0.00 -0.40 0.00 0.00 41.96 41.11 1ttf s TYR 68 CO 0.48 -0.30 -0.21 0.99 -1.57 0.00 0.00 175.55 174.94 1ttf s THR 69 N -1.74 1.97 -0.09 -0.71 2.01 -0.77 -1.14 115.64 115.16 1ttf s THR 69 Ca -0.12 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 60.95 1ttf s THR 69 Cb -0.06 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1ttf s THR 69 CO -0.00 0.53 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.86 1ttf s ILE 70 N 0.85 3.51 -0.04 1.82 1.10 -1.10 -2.59 121.20 124.75 1ttf s ILE 70 Ca -0.07 -0.53 -0.01 0.00 -0.51 0.00 0.00 60.65 59.53 1ttf s ILE 70 Cb -0.15 -2.45 0.03 0.00 0.15 0.00 0.00 42.46 40.03 1ttf s ILE 70 CO -0.02 0.56 0.04 -0.89 -2.11 0.00 0.00 174.94 172.52 1ttf s THR 71 N -0.35 0.02 -0.02 4.00 2.01 -0.64 -1.95 115.64 118.71 1ttf s THR 71 Ca 0.05 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 1ttf s THR 71 Cb -0.12 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1ttf s THR 71 CO 0.02 0.18 0.05 0.68 -0.69 0.00 0.00 174.62 174.86 1ttf s VAL 72 N 1.91 4.53 -0.56 3.82 -7.23 -1.02 -1.70 120.40 120.15 1ttf s VAL 72 Ca 0.02 -0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1ttf s VAL 72 Cb -0.12 -3.02 0.14 0.00 0.56 0.00 0.00 36.38 33.94 1ttf s VAL 72 CO -0.03 0.41 0.35 -0.31 -0.31 0.00 0.00 175.10 175.21 1ttf s TYR 73 N -1.10 3.41 -1.01 2.82 1.51 0.13 -2.75 117.35 120.35 1ttf s TYR 73 Ca 0.20 -2.78 -0.23 0.00 -1.01 0.00 0.00 57.07 53.25 1ttf s TYR 73 Cb -0.12 -3.11 0.05 0.00 -0.11 0.00 0.00 41.96 38.67 1ttf s TYR 73 CO 0.10 -0.85 1.43 0.00 -1.11 0.00 0.00 175.55 175.13 1ttf s ALA 74 N 0.11 2.74 -0.34 3.71 0.00 -1.26 -2.20 121.76 124.52 1ttf s ALA 74 Ca 0.15 -2.26 -0.29 0.00 0.00 0.00 0.00 51.96 49.56 1ttf s ALA 74 Cb -0.22 -4.50 0.01 0.00 0.00 0.00 0.00 23.12 18.41 1ttf s ALA 74 CO -0.03 -3.58 1.24 0.08 0.00 0.00 0.00 175.76 173.47 1ttf s VAL 75 N 4.89 4.21 -0.02 0.00 1.01 -0.70 -4.15 120.40 125.63 1ttf s VAL 75 Ca 0.45 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.77 1ttf s VAL 75 Cb -0.00 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.12 1ttf s VAL 75 CO -0.09 -0.58 0.03 0.42 0.00 0.00 0.00 175.10 174.87 1ttf s THR 76 N 4.34 -0.05 -0.26 3.92 -4.23 -1.26 -2.82 115.64 115.28 1ttf s THR 76 Ca 0.53 0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1ttf s THR 76 Cb -0.14 -0.07 0.13 0.00 1.34 0.00 0.00 72.50 73.76 1ttf s THR 76 CO 0.24 0.08 0.31 -0.83 -0.54 0.00 0.00 174.62 173.88 1ttf s GLY 77 N 0.94 -0.24 0.00 3.99 0.00 -1.26 -4.59 107.32 106.16 1ttf s GLY 77 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1ttf s GLY 77 CO -0.03 2.59 0.00 -2.13 0.00 0.00 0.00 173.10 173.54 1ttf n ARG 78 N 5.33 0.00 0.00 2.90 0.63 -1.26 -5.04 116.66 119.22 1ttf n ARG 78 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1ttf n ARG 78 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ttf n GLY 79 N 4.91 -0.95 0.00 5.14 0.00 -1.26 -4.79 105.19 108.24 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 0.29 -4.28 1.61 5.75 -1.26 -5.09 116.55 113.56 1ttf n ASP 80 Ca 0.00 -0.73 -0.34 0.00 -0.01 0.00 0.00 54.79 53.71 1ttf n ASP 80 Cb 0.00 0.15 0.10 0.00 -1.03 0.00 0.00 41.12 40.34 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1ttf n SER 81 N -0.15 -3.27 -4.60 -1.12 3.41 -1.26 -4.73 113.62 101.89 1ttf n SER 81 Ca 0.00 0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 58.45 1ttf n SER 81 Cb 0.09 -1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 62.95 1ttf n SER 81 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ttf s PRO 82 N -3.13 3.14 0.29 4.33 0.04 -1.26 -4.78 135.00 133.63 1ttf s PRO 82 Ca 0.52 1.75 0.10 0.00 0.04 0.00 0.00 61.00 63.40 1ttf s PRO 82 Cb -0.19 -4.32 0.53 0.00 0.04 0.00 0.00 34.50 30.55 1ttf s PRO 82 CO 0.72 -2.09 1.15 0.00 0.04 0.00 0.00 177.00 176.82 1ttf n ALA 83 N 11.42 0.51 -2.00 8.56 0.00 -1.26 -4.27 120.51 133.47 1ttf n ALA 83 Ca 0.27 0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 1ttf n ALA 83 Cb 0.46 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.17 5.40 1.03 0.00 1.04 -1.26 -4.48 113.70 112.25 1ttf s SER 84 Ca -0.01 0.68 -0.23 0.00 0.48 0.00 0.00 55.95 56.87 1ttf s SER 84 Cb 0.03 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 1ttf s SER 84 CO 0.09 -2.21 -0.95 -1.20 0.98 0.00 0.00 173.24 169.95 1ttf n SER 85 N 12.22 -3.27 -3.99 7.02 7.64 -1.26 -4.93 113.62 127.05 1ttf n SER 85 Ca 0.22 0.02 -0.32 0.00 1.01 0.00 0.00 58.87 59.80 1ttf n SER 85 Cb 0.51 -0.69 -0.12 0.00 -1.01 0.00 0.00 64.21 62.90 1ttf n SER 85 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ttf s LYS 86 N -2.45 2.41 0.49 1.43 2.47 -1.26 -5.01 119.74 117.82 1ttf s LYS 86 Ca 0.43 -2.87 -0.24 0.00 -1.56 0.00 0.00 55.97 51.73 1ttf s LYS 86 Cb -0.01 -3.52 -0.07 0.00 -1.46 0.00 0.00 37.83 32.77 1ttf s LYS 86 CO 0.69 -1.19 1.38 -2.14 0.16 0.00 0.00 175.35 174.25 1ttf s PRO 87 N -0.67 3.45 -0.07 4.03 0.02 -1.26 -4.60 135.00 135.89 1ttf s PRO 87 Ca 0.20 2.29 -0.03 0.00 0.02 0.00 0.00 61.00 63.49 1ttf s PRO 87 Cb -0.17 -2.47 0.04 0.00 0.02 0.00 0.00 34.50 31.92 1ttf s PRO 87 CO -0.06 -0.96 0.15 -1.50 -0.33 0.00 0.00 177.00 174.30 1ttf s ILE 88 N -1.27 -0.05 0.24 2.83 2.07 -1.11 -5.02 121.20 118.89 1ttf s ILE 88 Ca 0.66 0.18 0.04 0.00 -1.41 0.00 0.00 60.65 60.12 1ttf s ILE 88 Cb -0.41 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 41.87 1ttf s ILE 88 CO 0.51 0.07 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.65 1ttf s SER 89 N 1.19 2.05 -0.06 4.50 1.04 -1.26 -2.45 113.70 118.72 1ttf s SER 89 Ca -0.09 -1.20 -0.17 0.00 0.48 0.00 0.00 55.95 54.97 1ttf s SER 89 Cb -0.12 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.00 1ttf s SER 89 CO -0.06 -0.46 0.39 0.27 0.98 0.00 0.00 173.24 174.35 1ttf s ILE 90 N -3.32 0.03 0.38 -1.02 -4.36 -0.82 -5.01 121.20 107.08 1ttf s ILE 90 Ca 0.28 -0.27 -0.19 0.00 -0.26 0.00 0.00 60.65 60.21 1ttf s ILE 90 Cb 0.05 -0.65 -0.10 0.00 1.25 0.00 0.00 42.46 43.01 1ttf s ILE 90 CO 0.09 -0.15 0.87 0.54 0.24 0.00 0.00 174.94 176.53 1ttf s ASN 91 N -0.83 6.92 -0.25 4.36 4.22 -1.26 -2.69 114.94 125.41 1ttf s ASN 91 Ca -0.09 1.56 -0.19 0.00 -2.14 0.00 0.00 52.86 52.00 1ttf s ASN 91 Cb -0.04 -2.48 0.07 0.00 1.28 0.00 0.00 41.25 40.08 1ttf s ASN 91 CO 0.04 -0.27 0.65 -0.47 -2.04 0.00 0.00 177.10 175.01 1ttf s TYR 92 N -2.04 -0.86 -0.36 1.54 6.14 -0.29 -4.97 117.35 116.51 1ttf s TYR 92 Ca 0.58 1.89 -0.18 0.00 0.64 0.00 0.00 57.07 59.99 1ttf s TYR 92 Cb -0.11 0.42 -0.00 0.00 0.42 0.00 0.00 41.96 42.69 1ttf s TYR 92 CO 0.16 -0.43 0.52 1.03 0.64 0.00 0.00 175.55 177.47 1ttf s ARG 93 N 1.00 3.56 0.00 4.97 3.00 -1.26 -1.20 118.95 129.02 1ttf s ARG 93 Ca -0.05 -0.21 0.07 0.00 0.00 0.00 0.00 55.73 55.53 1ttf s ARG 93 Cb -0.05 -3.83 0.05 0.00 0.00 0.00 0.00 34.95 31.12 1ttf s ARG 93 CO -0.09 -0.68 0.72 0.25 0.00 0.00 0.00 175.30 175.49