#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 -2.78 -2.76 4.52 7.64 -1.26 -4.84 113.62 114.14 1ttf n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1ttf n SER 2 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1ttf n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ttf s ASP 3 N -4.00 -1.12 0.15 6.43 1.01 -1.26 -5.14 116.67 112.73 1ttf s ASP 3 Ca 0.00 -1.29 -0.31 0.00 0.71 0.00 0.00 52.55 51.66 1ttf s ASP 3 Cb 0.00 1.47 -0.09 0.00 1.01 0.00 0.00 42.92 45.31 1ttf s ASP 3 CO 0.00 -0.05 1.45 -0.69 0.21 0.00 0.00 175.17 176.09 1ttf s VAL 4 N 0.97 3.03 0.00 -1.27 1.01 -1.26 -5.02 120.40 117.86 1ttf s VAL 4 Ca 0.27 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1ttf s VAL 4 Cb 0.03 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1ttf s VAL 4 CO -0.07 0.07 0.00 -2.65 0.00 0.00 0.00 175.10 172.45 1ttf n PRO 5 N 3.76 1.91 -3.57 2.72 -0.02 -1.26 -5.05 135.00 133.48 1ttf n PRO 5 Ca 0.12 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 1ttf n PRO 5 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.87 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 0.00 1.16 0.00 -0.52 1.70 -1.26 -5.07 118.95 114.96 1ttf s ARG 6 Ca 0.00 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 1ttf s ARG 6 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 1ttf s ARG 6 CO 0.00 -0.52 0.00 -3.47 -1.08 0.00 0.00 175.30 170.23 1ttf n ASP 7 N -0.36 0.00 -4.66 -2.89 -0.08 -1.26 -4.35 116.55 102.96 1ttf n ASP 7 Ca -0.10 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.83 1ttf n ASP 7 Cb 0.62 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.99 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1ttf s LEU 8 N 0.00 3.99 0.26 -2.67 1.02 -1.26 -4.68 118.68 115.33 1ttf s LEU 8 Ca 0.00 0.11 -0.21 0.00 0.02 0.00 0.00 54.13 54.06 1ttf s LEU 8 Cb 0.00 -2.04 0.05 0.00 0.02 0.00 0.00 46.19 44.22 1ttf s LEU 8 CO 0.00 0.13 0.88 -1.61 0.02 0.00 0.00 176.35 175.76 1ttf s GLU 9 N 0.66 1.67 -0.15 1.70 2.02 -1.11 -5.05 118.70 118.44 1ttf s GLU 9 Ca 0.06 -1.01 -0.17 0.00 0.02 0.00 0.00 54.97 53.87 1ttf s GLU 9 Cb -0.13 0.51 -0.04 0.00 0.10 0.00 0.00 34.13 34.57 1ttf s GLU 9 CO 0.01 -0.77 0.44 0.08 0.02 0.00 0.00 175.26 175.04 1ttf s VAL 10 N -2.87 5.20 -1.60 2.63 1.01 -1.26 -2.51 120.40 121.00 1ttf s VAL 10 Ca 0.15 0.84 0.15 0.00 0.00 0.00 0.00 61.98 63.12 1ttf s VAL 10 Cb -0.04 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1ttf s VAL 10 CO 0.07 0.30 0.88 1.33 0.00 0.00 0.00 175.10 177.68 1ttf n VAL 11 N 3.90 0.00 -3.53 2.92 0.24 -1.05 -5.00 118.33 115.80 1ttf n VAL 11 Ca -0.08 -0.42 -0.07 0.00 -2.04 0.00 0.00 64.34 61.73 1ttf n VAL 11 Cb 0.51 1.24 -0.02 0.00 -1.47 0.00 0.00 33.84 34.11 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 -1.51 -1.88 -0.03 2.33 0.00 -1.19 -5.03 121.76 114.45 1ttf s ALA 12 Ca 0.15 1.12 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 1ttf s ALA 12 Cb 0.12 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.58 1ttf s ALA 12 CO 0.28 -0.68 0.49 0.00 0.00 0.00 0.00 175.76 175.85 1ttf s ALA 13 N -2.95 -1.26 0.11 0.00 0.00 -1.26 -2.36 121.76 114.03 1ttf s ALA 13 Ca 0.06 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1ttf s ALA 13 Cb -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1ttf s ALA 13 CO -0.08 -0.31 -0.02 0.95 0.00 0.00 0.00 175.76 176.30 1ttf s THR 14 N -1.27 0.46 -1.02 0.00 -4.23 0.15 -4.98 115.64 104.75 1ttf s THR 14 Ca -0.12 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1ttf s THR 14 Cb -0.03 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1ttf s THR 14 CO 0.07 -0.73 0.72 -2.65 -0.54 0.00 0.00 174.62 171.49 1ttf n PRO 15 N -0.06 0.00 -2.67 3.99 -0.01 -1.26 -2.41 135.00 132.57 1ttf n PRO 15 Ca -0.10 0.26 -0.03 0.00 -0.01 0.00 0.00 63.50 63.62 1ttf n PRO 15 Cb 0.62 -1.58 0.13 0.00 -0.01 0.00 0.00 33.50 32.66 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1ttf n THR 16 N -1.22 0.00 0.00 3.45 -1.04 -1.26 -4.94 114.28 109.26 1ttf n THR 16 Ca 0.00 -1.14 0.00 0.00 -2.04 0.00 0.00 64.05 60.87 1ttf n THR 16 Cb 0.08 1.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.59 1ttf n THR 16 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ttf n SER 17 N -1.28 0.00 -3.89 8.00 2.88 -1.01 -4.56 113.62 113.76 1ttf n SER 17 Ca -0.14 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.14 1ttf n SER 17 Cb 0.87 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.16 1ttf n SER 17 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ttf s LEU 18 N 0.00 1.12 -0.50 2.46 2.96 -0.04 0.32 118.68 124.99 1ttf s LEU 18 Ca 0.00 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.47 1ttf s LEU 18 Cb 0.00 -0.78 0.07 0.00 0.50 0.00 0.00 46.19 45.98 1ttf s LEU 18 CO 0.00 -0.12 0.54 -0.22 -1.32 0.00 0.00 176.35 175.22 1ttf s LEU 19 N 1.69 5.32 0.14 -0.68 0.20 -1.00 -2.44 118.68 121.91 1ttf s LEU 19 Ca 0.04 -1.16 0.04 0.00 0.69 0.00 0.00 54.13 53.74 1ttf s LEU 19 Cb -0.13 -2.32 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 1ttf s LEU 19 CO -0.07 -0.81 0.14 0.27 -0.29 0.00 0.00 176.35 175.58 1ttf s ILE 20 N 2.20 4.61 -0.09 6.68 -5.25 -0.72 -2.53 121.20 126.10 1ttf s ILE 20 Ca 0.10 -0.93 -0.15 0.00 -0.99 0.00 0.00 60.65 58.67 1ttf s ILE 20 Cb -0.22 -3.32 0.03 0.00 2.95 0.00 0.00 42.46 41.91 1ttf s ILE 20 CO 0.09 -0.04 0.38 -0.94 -1.79 0.00 0.00 174.94 172.65 1ttf s SER 21 N -2.90 -0.34 0.00 4.36 1.04 -1.04 -2.03 113.70 112.78 1ttf s SER 21 Ca 0.31 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1ttf s SER 21 Cb -0.11 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ttf s SER 21 CO 0.24 -0.29 0.00 -2.67 0.98 0.00 0.00 173.24 171.50 1ttf n TRP 22 N 2.11 0.00 -3.97 5.02 2.14 -0.97 -2.74 117.44 119.03 1ttf n TRP 22 Ca -0.17 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.31 1ttf n TRP 22 Cb 0.57 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.03 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 0.04 -0.03 -0.67 -1.08 -1.26 -4.91 116.67 109.76 1ttf s ASP 23 Ca 0.00 -0.99 -0.01 0.00 -0.52 0.00 0.00 52.55 51.03 1ttf s ASP 23 Cb 0.00 0.65 0.03 0.00 -1.46 0.00 0.00 42.92 42.14 1ttf s ASP 23 CO 0.00 -1.25 0.05 0.00 0.52 0.00 0.00 175.17 174.49 1ttf s ALA 24 N -3.68 0.01 1.23 3.66 0.00 -1.26 -4.84 121.76 116.87 1ttf s ALA 24 Ca 0.21 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 1ttf s ALA 24 Cb -0.02 -0.27 0.31 0.00 0.00 0.00 0.00 23.12 23.14 1ttf s ALA 24 CO 0.11 -0.11 1.00 -1.25 0.00 0.00 0.00 175.76 175.51 1ttf s PRO 25 N 1.00 -1.42 0.19 0.00 0.04 -1.26 -4.92 135.00 128.64 1ttf s PRO 25 Ca -0.08 0.73 -0.09 0.00 0.04 0.00 0.00 61.00 61.60 1ttf s PRO 25 Cb -0.12 -1.50 0.09 0.00 0.04 0.00 0.00 34.50 33.01 1ttf s PRO 25 CO -0.03 -4.03 1.67 0.00 0.04 0.00 0.00 177.00 174.65 1ttf h ALA 26 N -2.84 0.88 -2.25 8.56 0.00 -2.03 -3.44 119.26 118.13 1ttf h ALA 26 Ca -0.61 -0.29 -0.51 0.00 0.00 0.00 0.00 54.91 53.51 1ttf h ALA 26 Cb 1.34 -0.25 0.20 0.00 0.00 0.00 0.00 17.79 19.08 1ttf h ALA 26 CO 0.48 0.67 0.19 0.54 0.00 0.00 0.00 179.25 181.13 1ttf s VAL 27 N -5.14 2.11 -0.19 0.00 0.11 -1.26 -4.91 120.40 111.11 1ttf s VAL 27 Ca -0.12 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 1ttf s VAL 27 Cb 0.14 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 1ttf s VAL 27 CO 0.86 -0.05 1.03 0.42 -3.33 0.00 0.00 175.10 174.03 1ttf s THR 28 N -2.63 4.71 -0.12 5.04 -4.23 -1.26 -5.01 115.64 112.14 1ttf s THR 28 Ca 0.67 2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 63.03 1ttf s THR 28 Cb -0.23 -4.31 -0.04 0.00 1.34 0.00 0.00 72.50 69.26 1ttf s THR 28 CO 0.59 -0.12 0.49 -0.69 -0.54 0.00 0.00 174.62 174.34 1ttf s VAL 29 N 2.84 5.18 0.04 2.29 1.01 -1.26 -4.91 120.40 125.59 1ttf s VAL 29 Ca 0.45 0.97 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 1ttf s VAL 29 Cb -0.16 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1ttf s VAL 29 CO 0.10 0.31 1.27 -0.09 0.00 0.00 0.00 175.10 176.69 1ttf h ARG 30 N 6.76 -0.45 -3.04 2.72 2.43 -1.70 -3.42 114.38 117.69 1ttf h ARG 30 Ca -0.41 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.76 1ttf h ARG 30 Cb 1.18 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 1ttf h ARG 30 CO 0.75 -0.30 0.12 1.52 -1.51 0.00 0.00 179.97 180.55 1ttf s TYR 31 N -4.37 -0.44 0.07 2.20 -0.85 -1.09 -4.30 117.35 108.57 1ttf s TYR 31 Ca -0.08 0.26 0.09 0.00 -0.52 0.00 0.00 57.07 56.82 1ttf s TYR 31 Cb 0.02 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1ttf s TYR 31 CO 0.29 -0.78 -0.25 0.71 -1.52 0.00 0.00 175.55 174.00 1ttf s TYR 32 N -3.51 2.35 -0.20 -3.49 2.02 -0.29 -2.57 117.35 111.66 1ttf s TYR 32 Ca 0.00 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1ttf s TYR 32 Cb -0.00 -1.36 0.06 0.00 -0.40 0.00 0.00 41.96 40.25 1ttf s TYR 32 CO -0.11 0.20 -0.02 0.50 -1.57 0.00 0.00 175.55 174.56 1ttf s ARG 33 N -1.50 1.24 -0.27 -0.62 3.52 -0.83 -1.05 118.95 119.44 1ttf s ARG 33 Ca 0.13 -0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 54.94 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 0.04 -0.58 0.17 0.42 -0.81 0.00 0.00 175.30 174.54 1ttf s ILE 34 N 1.61 5.17 -0.04 4.11 1.09 -0.97 -0.18 121.20 131.99 1ttf s ILE 34 Ca -0.03 0.12 0.06 0.00 -1.10 0.00 0.00 60.65 59.70 1ttf s ILE 34 Cb -0.17 -3.45 -0.01 0.00 -1.06 0.00 0.00 42.46 37.77 1ttf s ILE 34 CO -0.07 0.28 -0.23 0.42 -0.10 0.00 0.00 174.94 175.24 1ttf s THR 35 N 1.60 1.84 0.05 2.92 -4.23 -0.62 -1.99 115.64 115.22 1ttf s THR 35 Ca 0.07 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1ttf s THR 35 Cb -0.15 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 1ttf s THR 35 CO 0.09 0.52 -0.13 -0.72 -0.54 0.00 0.00 174.62 173.83 1ttf s TYR 36 N -0.25 1.17 -0.29 3.99 1.13 -0.88 -1.10 117.35 121.12 1ttf s TYR 36 Ca 0.01 -0.38 -0.24 0.00 -1.41 0.00 0.00 57.07 55.05 1ttf s TYR 36 Cb -0.12 -0.68 0.15 0.00 -1.10 0.00 0.00 41.96 40.21 1ttf s TYR 36 CO 0.02 0.03 1.17 0.20 -2.51 0.00 0.00 175.55 174.46 1ttf s GLY 37 N -1.29 0.05 0.33 5.49 0.00 -1.00 -1.78 107.32 109.12 1ttf s GLY 37 Ca -0.00 3.03 -0.28 0.00 0.00 0.00 0.00 44.72 47.47 1ttf s GLY 37 CO 0.01 1.97 1.13 1.85 0.00 0.00 0.00 173.10 178.06 1ttf s GLU 38 N 0.29 4.43 -0.05 2.90 2.12 -1.26 -2.26 118.70 124.87 1ttf s GLU 38 Ca 0.03 1.82 -0.30 0.00 0.36 0.00 0.00 54.97 56.88 1ttf s GLU 38 Cb -0.05 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1ttf s GLU 38 CO -0.10 0.02 1.24 0.99 -0.54 0.00 0.00 175.26 176.86 1ttf s THR 39 N -1.28 4.16 0.00 -1.70 2.01 -1.26 -4.72 115.64 112.85 1ttf s THR 39 Ca 0.49 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.98 1ttf s THR 39 Cb -0.31 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.24 1ttf s THR 39 CO 0.40 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1ttf n GLY 40 N 3.42 -1.90 0.00 4.40 0.00 -1.26 -5.05 105.19 104.80 1ttf n GLY 40 Ca 0.11 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.61 0.00 0.00 -0.02 0.00 -1.26 -5.06 105.19 98.23 1ttf n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ttf n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ttf n ASN 42 N 0.00 0.00 -3.57 1.61 3.02 -1.26 -5.05 115.26 110.00 1ttf n ASN 42 Ca 0.00 0.12 -0.08 0.00 -0.03 0.00 0.00 54.58 54.59 1ttf n ASN 42 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ttf s SER 43 N -1.39 -0.29 1.26 6.41 1.04 -1.26 -5.17 113.70 114.30 1ttf s SER 43 Ca 0.00 0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.49 1ttf s SER 43 Cb 0.00 0.26 0.30 0.00 0.10 0.00 0.00 66.02 66.68 1ttf s SER 43 CO 0.00 -0.34 0.85 -0.81 0.98 0.00 0.00 173.24 173.92 1ttf n PRO 44 N 0.40 -3.09 -0.03 4.02 -0.04 -1.26 -4.78 135.00 130.21 1ttf n PRO 44 Ca -0.07 -0.89 -0.01 0.00 -0.04 0.00 0.00 63.50 62.49 1ttf n PRO 44 Cb 0.59 -2.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ttf h VAL 45 N -2.92 0.00 -1.17 0.52 2.07 -1.69 -3.49 116.25 109.57 1ttf h VAL 45 Ca -0.56 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1ttf h VAL 45 Cb 1.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ttf h VAL 45 CO 0.42 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.68 1ttf n GLN 46 N -3.35 0.00 -3.59 1.57 7.27 -1.12 -5.05 117.38 113.12 1ttf n GLN 46 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.99 1ttf n GLN 46 Cb 0.07 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.71 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1ttf s GLU 47 N -1.36 0.81 -0.16 3.69 -1.05 -1.26 -2.07 118.70 117.30 1ttf s GLU 47 Ca 0.00 -0.36 -0.18 0.00 -0.15 0.00 0.00 54.97 54.27 1ttf s GLU 47 Cb 0.00 0.33 0.05 0.00 -0.44 0.00 0.00 34.13 34.07 1ttf s GLU 47 CO 0.00 -0.36 0.50 -0.59 0.95 0.00 0.00 175.26 175.75 1ttf s PHE 48 N -3.01 -0.52 0.24 4.83 -0.71 -0.84 -5.01 117.98 112.97 1ttf s PHE 48 Ca 0.08 1.21 0.05 0.00 -1.04 0.00 0.00 56.93 57.24 1ttf s PHE 48 Cb -0.01 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1ttf s PHE 48 CO -0.05 -0.31 0.35 0.95 -1.34 0.00 0.00 175.22 174.83 1ttf s THR 49 N -0.02 5.23 0.06 -4.49 -4.23 -1.26 -2.29 115.64 108.65 1ttf s THR 49 Ca -0.02 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.39 1ttf s THR 49 Cb -0.03 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1ttf s THR 49 CO 0.02 -0.33 0.21 0.68 -0.54 0.00 0.00 174.62 174.66 1ttf s VAL 50 N -1.98 0.12 -1.92 2.29 -7.23 -0.21 -4.97 120.40 106.49 1ttf s VAL 50 Ca 0.34 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1ttf s VAL 50 Cb -0.09 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1ttf s VAL 50 CO 0.29 -0.55 0.17 -0.81 -0.31 0.00 0.00 175.10 173.89 1ttf n PRO 51 N 0.31 0.18 -2.13 4.82 -0.04 -1.26 -1.14 135.00 135.74 1ttf n PRO 51 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1ttf n PRO 51 Cb 0.61 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.27 0.29 0.09 0.55 0.00 -1.26 -4.52 105.19 100.08 1ttf n GLY 52 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -3.45 1.61 0.02 -1.88 -3.44 113.55 106.40 1ttf h SER 53 Ca -0.45 -0.33 -0.60 0.00 -0.84 0.00 0.00 61.79 59.57 1ttf h SER 53 Cb 1.33 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.77 1ttf h SER 53 CO 0.57 1.21 0.04 -0.54 -1.14 0.00 0.00 176.83 176.97 1ttf s LYS 54 N -2.30 4.19 -0.13 3.45 1.02 -1.26 -4.93 119.74 119.77 1ttf s LYS 54 Ca -0.23 0.50 0.02 0.00 0.02 0.00 0.00 55.97 56.27 1ttf s LYS 54 Cb 0.04 -3.58 0.23 0.00 -0.52 0.00 0.00 37.83 34.00 1ttf s LYS 54 CO 0.45 -0.21 1.20 0.43 -0.92 0.00 0.00 175.35 176.30 1ttf n SER 55 N 4.99 3.07 -3.97 2.83 7.64 -1.26 -4.84 113.62 122.08 1ttf n SER 55 Ca -0.03 -2.46 -0.09 0.00 1.01 0.00 0.00 58.87 57.29 1ttf n SER 55 Cb 0.50 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.18 0.11 -0.13 0.44 -4.23 -1.26 -2.30 115.64 107.10 1ttf s THR 56 Ca 0.18 -1.44 -0.30 0.00 -1.18 0.00 0.00 61.69 58.95 1ttf s THR 56 Cb 0.15 -1.67 0.13 0.00 1.34 0.00 0.00 72.50 72.44 1ttf s THR 56 CO 0.04 -0.51 1.03 0.00 -0.54 0.00 0.00 174.62 174.63 1ttf s ALA 57 N -3.94 -1.94 -0.15 3.99 0.00 -0.86 -5.02 121.76 113.84 1ttf s ALA 57 Ca 0.13 1.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 1ttf s ALA 57 Cb 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1ttf s ALA 57 CO -0.04 -0.46 -0.03 0.99 0.00 0.00 0.00 175.76 176.21 1ttf s THR 58 N -1.90 0.90 0.43 0.00 2.01 -1.26 -1.75 115.64 114.07 1ttf s THR 58 Ca 0.03 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.62 1ttf s THR 58 Cb -0.01 -1.11 -0.06 0.00 0.01 0.00 0.00 72.50 71.34 1ttf s THR 58 CO -0.03 0.12 0.09 0.27 -0.69 0.00 0.00 174.62 174.38 1ttf s ILE 59 N 1.73 1.98 0.28 1.82 -4.36 -1.02 -4.95 121.20 116.68 1ttf s ILE 59 Ca 0.02 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 58.47 1ttf s ILE 59 Cb -0.15 -2.85 -0.01 0.00 1.25 0.00 0.00 42.46 40.70 1ttf s ILE 59 CO -0.07 0.00 0.42 -0.44 0.24 0.00 0.00 174.94 175.09 1ttf s SER 60 N -3.83 0.31 0.00 4.36 0.01 -1.26 -0.86 113.70 112.43 1ttf s SER 60 Ca 0.33 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1ttf s SER 60 Cb 0.06 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1ttf s SER 60 CO 0.18 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.28 1ttf n GLY 61 N -0.43 0.58 1.90 3.44 0.00 -1.26 -5.03 105.19 104.39 1ttf n GLY 61 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.33 0.99 -0.00 -1.26 -5.10 117.00 107.29 1ttf n LEU 62 Ca 0.00 -1.76 -0.32 0.00 -0.00 0.00 0.00 56.01 53.93 1ttf n LEU 62 Cb 0.00 0.58 -0.15 0.00 -0.00 0.00 0.00 43.42 43.85 1ttf n LEU 62 CO 0.00 -0.27 -0.52 -0.54 -0.00 0.00 0.00 177.39 176.06 1ttf s LYS 63 N -2.88 2.70 0.59 1.47 -0.14 -1.26 -5.04 119.74 115.17 1ttf s LYS 63 Ca 0.12 -0.82 -0.20 0.00 -1.36 0.00 0.00 55.97 53.71 1ttf s LYS 63 Cb 0.01 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1ttf s LYS 63 CO 0.08 0.40 1.31 -1.25 -0.76 0.00 0.00 175.35 175.13 1ttf s PRO 64 N -0.19 2.92 -0.35 -1.68 0.04 -1.26 -4.12 135.00 130.36 1ttf s PRO 64 Ca -0.02 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1ttf s PRO 64 Cb -0.13 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1ttf s PRO 64 CO 0.03 -1.32 0.46 0.41 0.04 0.00 0.00 177.00 176.62 1ttf n GLY 65 N 0.75 -0.70 3.60 0.56 0.00 -1.05 -5.01 105.19 103.34 1ttf n GLY 65 Ca 0.13 0.90 -0.11 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.68 0.00 0.39 1.61 0.11 0.78 -5.00 120.40 116.62 1ttf s VAL 66 Ca 0.24 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.02 1ttf s VAL 66 Cb -0.04 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.71 1ttf s VAL 66 CO 0.68 0.00 1.45 -0.62 -3.33 0.00 0.00 175.10 173.28 1ttf s ASP 67 N -0.53 6.25 -0.09 3.54 -1.08 -1.26 -2.46 116.67 121.03 1ttf s ASP 67 Ca -0.00 2.97 -0.03 0.00 -0.52 0.00 0.00 52.55 54.96 1ttf s ASP 67 Cb -0.02 -2.66 0.05 0.00 -1.46 0.00 0.00 42.92 38.82 1ttf s ASP 67 CO -0.01 -0.93 0.14 -0.31 0.52 0.00 0.00 175.17 174.58 1ttf s TYR 68 N -1.15 -0.10 -0.32 -5.34 2.02 -0.19 -4.41 117.35 107.86 1ttf s TYR 68 Ca 0.55 0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 57.54 1ttf s TYR 68 Cb -0.45 -0.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 1ttf s TYR 68 CO 0.60 -0.30 0.21 0.99 -1.57 0.00 0.00 175.55 175.47 1ttf s THR 69 N 2.25 5.19 0.07 -0.71 2.01 -0.96 -1.91 115.64 121.58 1ttf s THR 69 Ca 0.04 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 61.96 1ttf s THR 69 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ttf s THR 69 CO -0.06 0.09 0.03 -0.51 -0.69 0.00 0.00 174.62 173.48 1ttf s ILE 70 N 1.72 4.24 -0.06 1.82 2.07 -1.07 -2.39 121.20 127.53 1ttf s ILE 70 Ca 0.06 -0.84 -0.03 0.00 -1.41 0.00 0.00 60.65 58.43 1ttf s ILE 70 Cb -0.17 -3.01 0.04 0.00 0.13 0.00 0.00 42.46 39.45 1ttf s ILE 70 CO 0.10 0.16 0.11 -0.89 -1.91 0.00 0.00 174.94 172.52 1ttf s THR 71 N -1.30 -0.18 -0.21 4.00 2.01 -0.26 -1.98 115.64 117.72 1ttf s THR 71 Ca 0.26 0.38 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 1ttf s THR 71 Cb -0.12 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1ttf s THR 71 CO 0.18 0.16 0.05 0.68 -0.69 0.00 0.00 174.62 175.00 1ttf s VAL 72 N 2.17 4.38 -0.68 3.82 -7.23 -0.82 -1.59 120.40 120.46 1ttf s VAL 72 Ca 0.03 -0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 1ttf s VAL 72 Cb -0.12 -3.01 0.17 0.00 0.56 0.00 0.00 36.38 33.99 1ttf s VAL 72 CO -0.04 0.40 0.60 -0.31 -0.31 0.00 0.00 175.10 175.43 1ttf s TYR 73 N 1.03 3.54 -0.08 2.82 1.51 0.75 -2.73 117.35 124.19 1ttf s TYR 73 Ca 0.03 -1.88 -0.19 0.00 -1.01 0.00 0.00 57.07 54.03 1ttf s TYR 73 Cb -0.14 -3.69 -0.05 0.00 -0.11 0.00 0.00 41.96 37.97 1ttf s TYR 73 CO 0.03 -0.98 0.51 0.00 -1.11 0.00 0.00 175.55 174.00 1ttf s ALA 74 N 0.68 3.49 -0.07 3.71 0.00 -1.26 -1.97 121.76 126.33 1ttf s ALA 74 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 1ttf s ALA 74 Cb -0.19 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1ttf s ALA 74 CO -0.04 0.08 0.01 0.08 0.00 0.00 0.00 175.76 175.89 1ttf s VAL 75 N 0.30 0.32 -0.13 0.00 1.01 -1.06 -4.01 120.40 116.81 1ttf s VAL 75 Ca 0.28 0.13 0.14 0.00 0.00 0.00 0.00 61.98 62.52 1ttf s VAL 75 Cb -0.16 -0.51 -0.20 0.00 0.00 0.00 0.00 36.38 35.51 1ttf s VAL 75 CO 0.13 0.22 0.35 0.41 0.00 0.00 0.00 175.10 176.21 1ttf n THR 76 N 5.16 0.00 -3.69 3.92 -1.04 -1.26 -2.66 114.28 114.72 1ttf n THR 76 Ca -0.07 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 61.52 1ttf n THR 76 Cb 0.50 0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 69.26 1ttf n THR 76 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ttf s GLY 77 N -3.34 -0.41 1.19 3.41 0.00 -1.22 -4.28 107.32 102.66 1ttf s GLY 77 Ca -0.03 1.57 -0.13 0.00 0.00 0.00 0.00 44.72 46.12 1ttf s GLY 77 CO 0.57 1.41 0.94 -2.13 0.00 0.00 0.00 173.10 173.89 1ttf n ARG 78 N 3.02 -2.50 -2.67 2.90 0.63 -1.26 -4.20 116.66 112.58 1ttf n ARG 78 Ca -0.15 -0.70 -0.43 0.00 -0.92 0.00 0.00 57.85 55.65 1ttf n ARG 78 Cb 0.56 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 31.32 1ttf n ARG 78 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ttf s GLY 79 N -2.36 1.33 0.00 5.14 0.00 -1.26 -4.46 107.32 105.71 1ttf s GLY 79 Ca 0.68 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1ttf s GLY 79 CO 0.66 2.30 0.00 1.22 0.00 0.00 0.00 173.10 177.28 1ttf n ASP 80 N 7.72 0.00 -0.08 1.64 8.00 -1.26 -5.02 116.55 127.54 1ttf n ASP 80 Ca 0.09 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 1ttf n ASP 80 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ttf n SER 81 N -0.02 2.11 -3.10 -2.24 2.88 -1.26 -5.03 113.62 106.96 1ttf n SER 81 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ttf n SER 81 Cb 0.00 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1ttf n SER 81 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ttf n PRO 82 N -3.30 0.37 -2.12 -1.46 -0.05 -1.26 -4.94 135.00 122.23 1ttf n PRO 82 Ca -0.31 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 62.74 1ttf n PRO 82 Cb 0.78 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 34.20 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1ttf s ALA 83 N -3.13 3.50 0.64 0.55 0.00 -1.26 -4.93 121.76 117.13 1ttf s ALA 83 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1ttf s ALA 83 Cb 0.00 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.75 1ttf s ALA 83 CO 0.00 -0.63 0.75 0.45 0.00 0.00 0.00 175.76 176.33 1ttf n SER 84 N 0.82 1.06 -4.74 0.00 2.88 -1.26 -3.45 113.62 108.93 1ttf n SER 84 Ca 0.00 -1.88 -0.39 0.00 -1.33 0.00 0.00 58.87 55.27 1ttf n SER 84 Cb 0.42 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.34 1ttf n SER 84 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ttf s SER 85 N -4.07 6.86 -0.49 -3.46 0.01 -1.26 -4.71 113.70 106.58 1ttf s SER 85 Ca 0.50 1.03 0.06 0.00 1.31 0.00 0.00 55.95 58.85 1ttf s SER 85 Cb -0.03 -2.34 0.21 0.00 0.21 0.00 0.00 66.02 64.07 1ttf s SER 85 CO 0.33 0.04 0.49 0.29 0.41 0.00 0.00 173.24 174.80 1ttf n LYS 86 N 3.20 1.00 -1.12 12.44 5.02 -1.26 -5.10 118.16 132.34 1ttf n LYS 86 Ca -0.06 -3.65 -0.32 0.00 -2.02 0.00 0.00 58.31 52.26 1ttf n LYS 86 Cb 0.51 -1.72 0.12 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.00 1.83 0.03 1.97 0.05 -1.26 -4.73 135.00 131.88 1ttf s PRO 87 Ca 0.33 1.43 -0.09 0.00 0.05 0.00 0.00 61.00 62.72 1ttf s PRO 87 Cb 0.08 -1.83 0.00 0.00 0.05 0.00 0.00 34.50 32.81 1ttf s PRO 87 CO -0.14 -2.01 0.17 -1.50 0.05 0.00 0.00 177.00 173.58 1ttf s ILE 88 N -2.61 0.10 0.03 0.56 2.07 -1.11 -5.03 121.20 115.22 1ttf s ILE 88 Ca 0.66 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 59.04 1ttf s ILE 88 Cb -0.21 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 1ttf s ILE 88 CO 0.54 -0.47 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.12 1ttf s SER 89 N -1.89 0.37 -0.08 4.50 1.04 -1.26 -1.95 113.70 114.43 1ttf s SER 89 Ca -0.08 -0.59 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 1ttf s SER 89 Cb -0.03 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1ttf s SER 89 CO -0.02 -0.33 0.21 0.27 0.98 0.00 0.00 173.24 174.34 1ttf s ILE 90 N -1.83 0.00 0.29 -1.02 -4.36 -0.84 -5.01 121.20 108.43 1ttf s ILE 90 Ca -0.12 -0.02 -0.11 0.00 -0.26 0.00 0.00 60.65 60.15 1ttf s ILE 90 Cb -0.07 -0.30 -0.07 0.00 1.25 0.00 0.00 42.46 43.27 1ttf s ILE 90 CO -0.02 -0.01 0.64 0.21 0.24 0.00 0.00 174.94 176.00 1ttf s ASN 91 N 0.07 6.63 -0.28 4.36 2.47 -1.26 -2.59 114.94 124.34 1ttf s ASN 91 Ca -0.00 1.03 -0.20 0.00 0.42 0.00 0.00 52.86 54.10 1ttf s ASN 91 Cb -0.02 -2.27 0.09 0.00 -1.45 0.00 0.00 41.25 37.60 1ttf s ASN 91 CO 0.00 -0.17 0.79 -0.47 -3.72 0.00 0.00 177.10 173.53 1ttf s TYR 92 N -1.98 -0.82 -0.42 0.43 6.14 -0.81 -5.00 117.35 114.90 1ttf s TYR 92 Ca 0.49 1.79 -0.19 0.00 0.64 0.00 0.00 57.07 59.80 1ttf s TYR 92 Cb -0.11 0.43 0.02 0.00 0.42 0.00 0.00 41.96 42.72 1ttf s TYR 92 CO 0.23 -0.40 0.55 1.03 0.64 0.00 0.00 175.55 177.60 1ttf s ARG 93 N 0.95 3.26 0.00 4.97 0.52 -1.26 -1.02 118.95 126.37 1ttf s ARG 93 Ca -0.04 -0.48 0.09 0.00 -0.52 0.00 0.00 55.73 54.78 1ttf s ARG 93 Cb -0.05 -3.94 0.07 0.00 0.52 0.00 0.00 34.95 31.56 1ttf s ARG 93 CO -0.10 -0.90 0.80 0.25 0.02 0.00 0.00 175.30 175.36