#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 6.37 0.12 -1.34 1.04 -1.26 -4.83 113.70 113.79 1ttf s SER 2 Ca 0.00 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1ttf s SER 2 Cb 0.00 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1ttf s SER 2 CO 0.00 0.17 0.00 0.47 0.98 0.00 0.00 173.24 174.86 1ttf n ASP 3 N 3.29 -1.03 -4.76 7.02 8.00 -1.26 -4.98 116.55 122.83 1ttf n ASP 3 Ca -0.14 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.18 1ttf n ASP 3 Cb 0.52 1.30 -0.02 0.00 -0.02 0.00 0.00 41.12 42.91 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 -2.00 2.33 0.94 2.53 1.01 -1.26 -4.78 120.40 119.17 1ttf s VAL 4 Ca 0.00 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 1ttf s VAL 4 Cb 0.00 -3.19 0.12 0.00 0.00 0.00 0.00 36.38 33.31 1ttf s VAL 4 CO 0.00 0.06 0.13 -2.65 0.00 0.00 0.00 175.10 172.64 1ttf n PRO 5 N 1.64 -1.76 -3.64 2.72 -0.02 -1.26 -5.01 135.00 127.67 1ttf n PRO 5 Ca 0.05 -0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 60.99 1ttf n PRO 5 Cb 0.39 -1.39 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ttf s ARG 6 N -3.17 0.65 -0.17 -0.52 1.70 -1.26 -5.08 118.95 111.11 1ttf s ARG 6 Ca 0.33 -0.33 -0.13 0.00 -0.47 0.00 0.00 55.73 55.12 1ttf s ARG 6 Cb -0.05 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.59 1ttf s ARG 6 CO 0.33 -0.30 0.23 -0.25 -1.08 0.00 0.00 175.30 174.24 1ttf n ASP 7 N -0.38 -6.34 -4.88 -2.89 8.00 -1.26 -4.09 116.55 104.71 1ttf n ASP 7 Ca -0.06 0.28 -0.31 0.00 0.71 0.00 0.00 54.79 55.41 1ttf n ASP 7 Cb 0.61 -1.89 -0.05 0.00 -0.02 0.00 0.00 41.12 39.78 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ttf s LEU 8 N -1.53 4.23 0.07 0.64 2.01 -1.26 -4.53 118.68 118.31 1ttf s LEU 8 Ca 0.13 0.22 -0.26 0.00 0.01 0.00 0.00 54.13 54.23 1ttf s LEU 8 Cb -0.01 -2.79 0.08 0.00 0.01 0.00 0.00 46.19 43.48 1ttf s LEU 8 CO 0.34 0.19 0.81 -1.61 1.01 0.00 0.00 176.35 177.08 1ttf s GLU 9 N -2.37 1.04 -0.14 1.70 2.02 -1.08 -5.04 118.70 114.83 1ttf s GLU 9 Ca 0.32 -0.42 -0.06 0.00 0.02 0.00 0.00 54.97 54.83 1ttf s GLU 9 Cb -0.13 0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 1ttf s GLU 9 CO 0.25 -0.46 0.07 0.08 0.02 0.00 0.00 175.26 175.22 1ttf s VAL 10 N -3.36 4.86 -0.37 2.63 1.01 -1.26 -2.52 120.40 121.39 1ttf s VAL 10 Ca 0.05 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1ttf s VAL 10 Cb -0.01 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 1ttf s VAL 10 CO -0.08 0.54 0.34 0.52 0.00 0.00 0.00 175.10 176.42 1ttf n VAL 11 N 2.74 0.00 0.00 2.92 0.31 -0.70 -5.01 118.33 118.59 1ttf n VAL 11 Ca -0.18 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1ttf n VAL 11 Cb 0.53 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 34.46 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf n ALA 12 N -1.19 0.00 -3.52 3.52 0.00 -1.24 -4.95 120.51 113.13 1ttf n ALA 12 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1ttf n ALA 12 Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 1ttf n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ttf s ALA 13 N -2.00 -0.95 0.23 0.00 0.00 -1.26 -2.44 121.76 115.34 1ttf s ALA 13 Ca 0.00 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.31 1ttf s ALA 13 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1ttf s ALA 13 CO 0.00 -0.22 -0.11 0.95 0.00 0.00 0.00 175.76 176.38 1ttf s THR 14 N 0.87 1.67 -0.24 0.00 -4.23 0.18 -4.99 115.64 108.90 1ttf s THR 14 Ca -0.05 -2.17 0.08 0.00 -1.18 0.00 0.00 61.69 58.36 1ttf s THR 14 Cb -0.06 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.65 1ttf s THR 14 CO -0.07 -0.47 1.10 -2.65 -0.54 0.00 0.00 174.62 171.99 1ttf n PRO 15 N -0.46 0.05 -2.70 3.99 -0.02 -1.26 -2.40 135.00 132.21 1ttf n PRO 15 Ca -0.07 0.46 -0.07 0.00 -2.02 0.00 0.00 63.50 61.81 1ttf n PRO 15 Cb 0.62 -1.93 0.11 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.75 0.09 0.00 3.45 -1.04 -1.26 -4.82 114.28 108.96 1ttf n THR 16 Ca -0.01 -1.60 0.00 0.00 -2.04 0.00 0.00 64.05 60.41 1ttf n THR 16 Cb 0.27 0.98 0.00 0.00 -1.82 0.00 0.00 70.33 69.75 1ttf n THR 16 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ttf n SER 17 N -0.64 0.00 -4.00 8.00 3.41 -1.01 -4.63 113.62 114.75 1ttf n SER 17 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.35 1ttf n SER 17 Cb 0.85 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.64 1ttf n SER 17 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ttf s LEU 18 N 0.00 1.66 -0.18 1.04 2.96 -0.49 0.50 118.68 124.17 1ttf s LEU 18 Ca 0.00 -0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 53.51 1ttf s LEU 18 Cb 0.00 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 1ttf s LEU 18 CO 0.00 0.04 0.42 -0.22 -1.32 0.00 0.00 176.35 175.27 1ttf s LEU 19 N 0.50 4.19 0.15 -0.68 2.96 -1.02 -1.50 118.68 123.28 1ttf s LEU 19 Ca -0.09 0.61 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 1ttf s LEU 19 Cb -0.13 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1ttf s LEU 19 CO 0.02 -0.06 -0.15 0.27 -1.32 0.00 0.00 176.35 175.11 1ttf s ILE 20 N 1.12 1.49 -0.05 6.68 -5.25 -1.06 -1.72 121.20 122.41 1ttf s ILE 20 Ca 0.21 -1.87 -0.10 0.00 -0.99 0.00 0.00 60.65 57.90 1ttf s ILE 20 Cb -0.15 -1.71 0.02 0.00 2.95 0.00 0.00 42.46 43.57 1ttf s ILE 20 CO 0.08 -0.45 0.23 -0.94 -1.79 0.00 0.00 174.94 172.07 1ttf s SER 21 N -2.71 -0.16 0.00 4.36 1.04 -1.05 -2.59 113.70 112.59 1ttf s SER 21 Ca 0.13 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1ttf s SER 21 Cb -0.04 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ttf s SER 21 CO 0.04 -0.25 0.00 -2.67 0.98 0.00 0.00 173.24 171.34 1ttf n TRP 22 N 2.14 0.00 -3.65 5.02 2.14 -0.87 -2.62 117.44 119.60 1ttf n TRP 22 Ca -0.18 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.24 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 1.24 -0.40 -0.10 -0.67 2.15 -1.26 -4.76 116.67 112.87 1ttf s ASP 23 Ca 0.00 0.37 0.02 0.00 0.43 0.00 0.00 52.55 53.38 1ttf s ASP 23 Cb 0.00 0.42 0.01 0.00 -0.30 0.00 0.00 42.92 43.05 1ttf s ASP 23 CO 0.00 -0.52 -0.17 0.00 -0.17 0.00 0.00 175.17 174.31 1ttf s ALA 24 N -1.28 1.73 1.20 3.66 0.00 -1.26 -4.52 121.76 121.29 1ttf s ALA 24 Ca -0.12 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 1ttf s ALA 24 Cb -0.03 -0.78 0.30 0.00 0.00 0.00 0.00 23.12 22.61 1ttf s ALA 24 CO 0.07 0.04 1.02 -1.25 0.00 0.00 0.00 175.76 175.64 1ttf s PRO 25 N 0.78 -1.18 -0.10 0.00 0.04 -1.26 -4.89 135.00 128.39 1ttf s PRO 25 Ca -0.11 0.68 0.06 0.00 0.04 0.00 0.00 61.00 61.67 1ttf s PRO 25 Cb -0.16 -1.54 0.35 0.00 0.04 0.00 0.00 34.50 33.20 1ttf s PRO 25 CO 0.02 -3.86 1.06 0.00 0.04 0.00 0.00 177.00 174.26 1ttf n ALA 26 N -4.99 3.06 -2.01 8.56 0.00 -1.26 -4.90 120.51 118.97 1ttf n ALA 26 Ca 0.04 -0.82 -0.27 0.00 0.00 0.00 0.00 53.44 52.39 1ttf n ALA 26 Cb 0.55 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.76 3.42 -0.67 0.00 0.11 -1.26 -4.90 120.40 115.34 1ttf s VAL 27 Ca 0.24 0.10 -0.25 0.00 -2.93 0.00 0.00 61.98 59.13 1ttf s VAL 27 Cb 0.18 -3.40 -0.12 0.00 -1.53 0.00 0.00 36.38 31.51 1ttf s VAL 27 CO 0.08 -0.45 2.42 0.41 -3.33 0.00 0.00 175.10 174.23 1ttf n THR 28 N -2.75 -0.04 -4.43 5.04 -1.04 -1.26 -4.90 114.28 104.90 1ttf n THR 28 Ca 0.06 -0.61 -0.34 0.00 -2.04 0.00 0.00 64.05 61.11 1ttf n THR 28 Cb 0.58 -2.18 -0.10 0.00 -1.82 0.00 0.00 70.33 66.80 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 12.50 4.10 -0.17 12.58 1.01 -1.26 -4.65 120.40 144.51 1ttf s VAL 29 Ca 1.00 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 1ttf s VAL 29 Cb -0.26 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 1ttf s VAL 29 CO 0.22 0.58 -0.17 0.54 0.00 0.00 0.00 175.10 176.26 1ttf n ARG 30 N 2.48 0.50 -3.68 2.72 1.74 -1.20 -4.99 116.66 114.23 1ttf n ARG 30 Ca -0.18 0.44 -0.06 0.00 -0.77 0.00 0.00 57.85 57.27 1ttf n ARG 30 Cb 0.53 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 1ttf n ARG 30 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1ttf s TYR 31 N -2.45 -0.23 0.22 -1.55 -0.85 -1.07 -4.54 117.35 106.88 1ttf s TYR 31 Ca -0.23 -0.06 0.12 0.00 -0.52 0.00 0.00 57.07 56.38 1ttf s TYR 31 Cb 0.04 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.96 1ttf s TYR 31 CO 0.35 -0.83 -0.23 0.71 -1.52 0.00 0.00 175.55 174.03 1ttf s TYR 32 N -3.40 2.30 -0.25 -3.49 1.51 -0.81 -2.11 117.35 111.10 1ttf s TYR 32 Ca 0.09 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 1ttf s TYR 32 Cb -0.02 -1.09 0.08 0.00 -0.11 0.00 0.00 41.96 40.82 1ttf s TYR 32 CO -0.01 0.57 0.08 1.03 -1.11 0.00 0.00 175.55 176.11 1ttf s ARG 33 N -2.93 0.54 -0.25 -0.62 0.52 -0.98 -2.22 118.95 113.02 1ttf s ARG 33 Ca 0.24 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.67 1ttf s ARG 33 Cb -0.07 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1ttf s ARG 33 CO 0.11 -0.84 0.34 0.42 0.02 0.00 0.00 175.30 175.35 1ttf s ILE 34 N 1.85 5.22 0.00 1.52 1.09 -0.38 -1.92 121.20 128.58 1ttf s ILE 34 Ca 0.05 0.52 0.08 0.00 -1.10 0.00 0.00 60.65 60.20 1ttf s ILE 34 Cb -0.17 -3.67 -0.02 0.00 -1.06 0.00 0.00 42.46 37.54 1ttf s ILE 34 CO -0.20 0.21 -0.26 0.42 -0.10 0.00 0.00 174.94 175.02 1ttf s THR 35 N 1.71 2.06 0.01 2.92 -4.23 -0.43 -1.62 115.64 116.07 1ttf s THR 35 Ca 0.14 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1ttf s THR 35 Cb -0.15 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 1ttf s THR 35 CO 0.09 0.51 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.93 1ttf s TYR 36 N -0.67 0.21 -0.18 3.99 1.13 -0.83 -1.37 117.35 119.63 1ttf s TYR 36 Ca 0.10 -0.24 -0.31 0.00 -1.41 0.00 0.00 57.07 55.22 1ttf s TYR 36 Cb -0.10 -0.14 0.14 0.00 -1.10 0.00 0.00 41.96 40.77 1ttf s TYR 36 CO -0.00 -0.07 1.12 0.20 -2.51 0.00 0.00 175.55 174.28 1ttf s GLY 37 N -0.66 -0.21 0.85 5.49 0.00 -1.09 -3.12 107.32 108.58 1ttf s GLY 37 Ca -0.06 2.02 -0.12 0.00 0.00 0.00 0.00 44.72 46.56 1ttf s GLY 37 CO -0.00 0.87 1.11 -1.83 0.00 0.00 0.00 173.10 173.24 1ttf s GLU 38 N -1.59 1.61 0.64 2.90 4.04 -1.26 -2.43 118.70 122.61 1ttf s GLU 38 Ca 0.04 0.53 -0.13 0.00 0.04 0.00 0.00 54.97 55.45 1ttf s GLU 38 Cb -0.01 -1.87 -0.02 0.00 0.02 0.00 0.00 34.13 32.25 1ttf s GLU 38 CO -0.03 -1.92 1.05 0.99 -1.84 0.00 0.00 175.26 173.51 1ttf s THR 39 N -3.17 3.99 0.00 1.83 2.01 -1.25 -4.61 115.64 114.43 1ttf s THR 39 Ca 0.62 0.77 0.00 0.00 0.31 0.00 0.00 61.69 63.40 1ttf s THR 39 Cb -0.15 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1ttf s THR 39 CO 0.54 -0.72 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 1ttf n GLY 40 N -1.60 1.80 0.00 4.40 0.00 -1.26 -5.07 105.19 103.46 1ttf n GLY 40 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 4.27 0.00 -0.02 0.00 -1.26 -5.12 105.19 103.06 1ttf n GLY 41 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -2.68 1.61 2.85 -1.26 -5.01 115.26 110.77 1ttf n ASN 42 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 1ttf n ASN 42 Cb 0.00 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.10 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ttf n SER 43 N 0.00 -1.61 -1.69 1.20 7.64 -1.26 -4.93 113.62 112.97 1ttf n SER 43 Ca 0.00 -2.18 -0.01 0.00 1.01 0.00 0.00 58.87 57.69 1ttf n SER 43 Cb 0.00 1.09 -0.01 0.00 -1.01 0.00 0.00 64.21 64.27 1ttf n SER 43 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ttf n PRO 44 N 1.21 0.79 0.00 1.43 -0.04 -1.26 -4.31 135.00 132.82 1ttf n PRO 44 Ca 0.01 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ttf n PRO 44 Cb 0.71 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ttf n VAL 45 N 1.73 0.00 -3.81 0.52 0.31 -1.26 -5.11 118.33 110.71 1ttf n VAL 45 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1ttf n VAL 45 Cb 0.39 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 1ttf n VAL 45 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ttf s GLN 46 N 0.58 1.25 0.06 5.55 0.74 -1.18 -5.07 119.66 121.59 1ttf s GLN 46 Ca 0.00 -0.75 -0.28 0.00 0.05 0.00 0.00 55.36 54.38 1ttf s GLN 46 Cb 0.00 0.39 0.09 0.00 1.10 0.00 0.00 33.01 34.58 1ttf s GLN 46 CO 0.00 -0.58 1.03 -1.83 -0.55 0.00 0.00 175.29 173.36 1ttf s GLU 47 N -2.73 0.90 0.07 1.67 -1.05 -1.26 -1.96 118.70 114.34 1ttf s GLU 47 Ca 0.17 -0.46 -0.26 0.00 -0.15 0.00 0.00 54.97 54.26 1ttf s GLU 47 Cb -0.02 0.33 0.09 0.00 -0.44 0.00 0.00 34.13 34.09 1ttf s GLU 47 CO 0.04 -0.41 0.77 -0.59 0.95 0.00 0.00 175.26 176.02 1ttf s PHE 48 N -3.02 -0.41 0.30 4.83 -0.71 -0.64 -5.00 117.98 113.32 1ttf s PHE 48 Ca 0.11 0.24 0.11 0.00 -1.04 0.00 0.00 56.93 56.35 1ttf s PHE 48 Cb -0.00 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.31 1ttf s PHE 48 CO -0.02 -0.69 -0.17 0.95 -1.34 0.00 0.00 175.22 173.95 1ttf s THR 49 N -3.40 2.41 0.09 -4.49 -4.23 -1.26 -1.25 115.64 103.52 1ttf s THR 49 Ca 0.04 -2.34 -0.11 0.00 -1.18 0.00 0.00 61.69 58.10 1ttf s THR 49 Cb -0.01 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.43 1ttf s THR 49 CO -0.10 -0.34 0.24 0.68 -0.54 0.00 0.00 174.62 174.57 1ttf s VAL 50 N -2.54 0.12 -0.78 2.29 -7.23 -0.94 -4.97 120.40 106.35 1ttf s VAL 50 Ca 0.31 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1ttf s VAL 50 Cb -0.03 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.66 1ttf s VAL 50 CO 0.16 -0.55 0.15 -0.81 -0.31 0.00 0.00 175.10 173.74 1ttf n PRO 51 N -0.02 0.25 -1.09 4.82 -0.04 -1.26 -1.93 135.00 135.73 1ttf n PRO 51 Ca -0.16 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.23 1ttf n PRO 51 Cb 0.62 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.49 0.71 0.13 0.55 0.00 -1.26 -4.74 105.19 101.07 1ttf n GLY 52 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.44 -3.16 1.61 0.87 -1.95 -3.45 113.55 107.92 1ttf h SER 53 Ca -0.15 -0.88 -0.56 0.00 -1.23 0.00 0.00 61.79 58.96 1ttf h SER 53 Cb 0.60 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1ttf h SER 53 CO 0.22 1.60 0.68 -0.54 -0.53 0.00 0.00 176.83 178.26 1ttf s LYS 54 N -2.48 4.35 0.11 2.24 -0.14 -1.26 -4.89 119.74 117.66 1ttf s LYS 54 Ca -0.18 1.44 0.27 0.00 -1.36 0.00 0.00 55.97 56.14 1ttf s LYS 54 Cb 0.04 -3.59 0.92 0.00 -1.68 0.00 0.00 37.83 33.52 1ttf s LYS 54 CO 0.79 -0.46 1.78 0.43 -0.76 0.00 0.00 175.35 177.14 1ttf n SER 55 N 5.55 0.47 -3.99 2.83 7.64 -1.26 -4.81 113.62 120.05 1ttf n SER 55 Ca 0.10 0.47 -0.11 0.00 1.01 0.00 0.00 58.87 60.34 1ttf n SER 55 Cb 0.47 -0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.06 0.24 0.20 0.44 -4.23 -1.26 -2.06 115.64 105.91 1ttf s THR 56 Ca 0.12 -0.84 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 1ttf s THR 56 Cb 0.15 -0.34 0.05 0.00 1.34 0.00 0.00 72.50 73.70 1ttf s THR 56 CO 0.59 -0.39 0.70 0.00 -0.54 0.00 0.00 174.62 174.98 1ttf s ALA 57 N -1.23 -1.45 -0.18 3.99 0.00 -1.07 -5.05 121.76 116.77 1ttf s ALA 57 Ca -0.12 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 1ttf s ALA 57 Cb -0.09 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1ttf s ALA 57 CO -0.00 -0.90 0.05 0.99 0.00 0.00 0.00 175.76 175.90 1ttf s THR 58 N -3.75 4.71 -0.19 0.00 2.01 -1.26 -2.57 115.64 114.59 1ttf s THR 58 Ca 0.06 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1ttf s THR 58 Cb -0.03 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 1ttf s THR 58 CO -0.03 0.47 -0.06 -0.51 -0.69 0.00 0.00 174.62 173.79 1ttf s ILE 59 N 0.33 3.34 0.14 1.82 2.07 -0.56 -4.97 121.20 123.37 1ttf s ILE 59 Ca 0.03 -0.52 0.06 0.00 -1.41 0.00 0.00 60.65 58.80 1ttf s ILE 59 Cb -0.12 -2.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.94 1ttf s ILE 59 CO 0.00 0.46 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.92 1ttf s SER 60 N 1.10 2.00 0.00 4.50 0.01 -1.26 -1.40 113.70 118.66 1ttf s SER 60 Ca 0.01 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1ttf s SER 60 Cb -0.15 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1ttf s SER 60 CO -0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1ttf n GLY 61 N 0.12 0.73 0.80 3.44 0.00 -1.26 -5.05 105.19 103.97 1ttf n GLY 61 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1ttf n GLY 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ttf n LEU 62 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -5.04 117.00 111.69 1ttf n LEU 62 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.71 1ttf n LEU 62 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 1ttf n LEU 62 CO 0.00 -0.73 0.00 1.17 -0.00 0.00 0.00 177.39 177.83 1ttf n LYS 63 N -1.62 0.00 -0.35 1.47 0.00 -1.26 -4.88 118.16 111.51 1ttf n LYS 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1ttf n LYS 63 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 35.11 1ttf n LYS 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ttf n PRO 64 N -1.87 0.80 -3.59 1.64 -0.04 -1.26 -4.97 135.00 125.71 1ttf n PRO 64 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1ttf n PRO 64 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 1ttf n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ttf s GLY 65 N -2.18 1.80 0.34 0.55 0.00 -1.26 -5.01 107.32 101.56 1ttf s GLY 65 Ca 0.00 -2.91 0.04 0.00 0.00 0.00 0.00 44.72 41.85 1ttf s GLY 65 CO 0.00 1.73 0.15 0.54 0.00 0.00 0.00 173.10 175.52 1ttf s VAL 66 N -0.39 0.47 -0.19 1.40 0.11 -0.23 -4.88 120.40 116.69 1ttf s VAL 66 Ca 0.29 -2.00 -0.38 0.00 -2.93 0.00 0.00 61.98 56.96 1ttf s VAL 66 Cb -0.02 -2.49 -0.14 0.00 -1.53 0.00 0.00 36.38 32.20 1ttf s VAL 66 CO -0.17 0.00 1.78 -0.67 -3.33 0.00 0.00 175.10 172.72 1ttf n ASP 67 N -1.05 2.78 -4.03 3.54 -0.08 -1.26 -2.73 116.55 113.72 1ttf n ASP 67 Ca -0.01 1.04 -0.25 0.00 -1.51 0.00 0.00 54.79 54.05 1ttf n ASP 67 Cb 0.65 -1.23 -0.17 0.00 2.34 0.00 0.00 41.12 42.71 1ttf n ASP 67 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ttf s TYR 68 N 3.63 1.56 -0.19 -0.67 2.02 -0.26 -3.87 117.35 119.56 1ttf s TYR 68 Ca 0.96 -0.60 -0.06 0.00 -0.37 0.00 0.00 57.07 56.99 1ttf s TYR 68 Cb -0.92 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1ttf s TYR 68 CO 0.59 -0.31 0.02 0.95 -1.57 0.00 0.00 175.55 175.23 1ttf s THR 69 N 0.73 4.22 0.15 -0.71 -4.23 -1.02 -2.42 115.64 112.34 1ttf s THR 69 Ca -0.13 -0.23 0.07 0.00 -1.18 0.00 0.00 61.69 60.22 1ttf s THR 69 Cb -0.16 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1ttf s THR 69 CO 0.03 0.44 -0.06 0.27 -0.54 0.00 0.00 174.62 174.76 1ttf s ILE 70 N 0.79 3.50 -0.04 2.99 -5.25 -1.07 -2.66 121.20 119.46 1ttf s ILE 70 Ca 0.01 -1.40 -0.08 0.00 -0.99 0.00 0.00 60.65 58.20 1ttf s ILE 70 Cb -0.14 -2.71 0.01 0.00 2.95 0.00 0.00 42.46 42.58 1ttf s ILE 70 CO 0.02 -0.02 0.18 -0.89 -1.79 0.00 0.00 174.94 172.45 1ttf s THR 71 N -1.52 0.03 -0.02 8.37 2.01 -0.47 -2.06 115.64 121.99 1ttf s THR 71 Ca 0.25 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1ttf s THR 71 Cb -0.10 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1ttf s THR 71 CO 0.16 -0.14 -0.19 0.68 -0.69 0.00 0.00 174.62 174.44 1ttf s VAL 72 N -0.48 1.52 -0.36 3.82 -7.23 -1.00 -1.31 120.40 115.36 1ttf s VAL 72 Ca -0.06 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1ttf s VAL 72 Cb -0.04 -1.27 0.10 0.00 0.56 0.00 0.00 36.38 35.74 1ttf s VAL 72 CO 0.01 0.43 0.10 -0.31 -0.31 0.00 0.00 175.10 175.02 1ttf s TYR 73 N -0.39 3.68 -1.20 2.82 1.51 -0.81 -2.74 117.35 120.23 1ttf s TYR 73 Ca 0.06 -2.76 -0.20 0.00 -1.01 0.00 0.00 57.07 53.16 1ttf s TYR 73 Cb -0.08 -2.99 0.06 0.00 -0.11 0.00 0.00 41.96 38.83 1ttf s TYR 73 CO -0.00 -0.95 1.66 0.00 -1.11 0.00 0.00 175.55 175.14 1ttf s ALA 74 N 1.00 3.04 0.06 3.71 0.00 -1.26 -2.31 121.76 126.00 1ttf s ALA 74 Ca 0.09 -2.66 -0.19 0.00 0.00 0.00 0.00 51.96 49.21 1ttf s ALA 74 Cb -0.20 -4.61 -0.07 0.00 0.00 0.00 0.00 23.12 18.24 1ttf s ALA 74 CO -0.06 -3.50 0.55 0.08 0.00 0.00 0.00 175.76 172.82 1ttf s VAL 75 N 4.82 4.78 0.00 0.00 1.01 -0.90 -4.49 120.40 125.62 1ttf s VAL 75 Ca 0.52 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1ttf s VAL 75 Cb 0.02 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ttf s VAL 75 CO 0.02 0.56 0.00 0.35 0.00 0.00 0.00 175.10 176.03 1ttf n THR 76 N 1.73 0.00 0.00 3.92 -2.24 -1.26 -2.61 114.28 113.82 1ttf n THR 76 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ttf n THR 76 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 3.25 0.73 0.05 3.38 0.00 -1.26 -4.62 105.19 106.72 1ttf n GLY 77 Ca 0.00 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.34 1ttf n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttf n ARG 78 N -1.78 0.32 0.00 1.61 1.74 -1.26 -4.92 116.66 112.38 1ttf n ARG 78 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1ttf n ARG 78 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 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 1.34 1.18 0.00 -0.13 0.00 -1.26 -4.89 105.19 101.43 1ttf n GLY 79 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ttf n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ttf n ASP 80 N 0.00 0.00 -4.85 1.61 5.68 -1.26 -5.12 116.55 112.61 1ttf n ASP 80 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.92 1ttf n ASP 80 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ttf s SER 81 N -0.95 6.58 -0.16 -1.12 0.15 -1.26 -5.01 113.70 111.93 1ttf s SER 81 Ca 0.00 0.70 -0.29 0.00 0.70 0.00 0.00 55.95 57.05 1ttf s SER 81 Cb 0.00 -2.16 -0.07 0.00 -1.71 0.00 0.00 66.02 62.08 1ttf s SER 81 CO 0.00 0.36 2.15 -2.65 1.20 0.00 0.00 173.24 174.29 1ttf n PRO 82 N 1.99 2.15 -3.79 5.44 -0.01 -1.26 -4.56 135.00 134.96 1ttf n PRO 82 Ca -0.17 0.66 -0.36 0.00 -0.01 0.00 0.00 63.50 63.62 1ttf n PRO 82 Cb 0.54 -3.11 -0.13 0.00 -0.01 0.00 0.00 33.50 30.79 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1ttf s ALA 83 N 7.10 3.06 0.32 3.55 0.00 -1.26 -5.08 121.76 129.45 1ttf s ALA 83 Ca 0.98 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 1ttf s ALA 83 Cb -0.41 -2.03 -0.10 0.00 0.00 0.00 0.00 23.12 20.59 1ttf s ALA 83 CO 0.39 -0.61 1.16 0.45 0.00 0.00 0.00 175.76 177.15 1ttf s SER 84 N 1.55 6.98 0.42 0.00 0.15 -1.26 -4.73 113.70 116.81 1ttf s SER 84 Ca 0.05 2.38 0.02 0.00 0.70 0.00 0.00 55.95 59.10 1ttf s SER 84 Cb -0.16 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1ttf s SER 84 CO 0.02 -0.36 0.15 -0.24 1.20 0.00 0.00 173.24 174.01 1ttf n SER 85 N 0.83 2.77 -3.95 5.45 2.88 -1.26 -4.88 113.62 115.47 1ttf n SER 85 Ca 0.00 -2.64 -0.30 0.00 -1.33 0.00 0.00 58.87 54.61 1ttf n SER 85 Cb 0.44 0.14 -0.12 0.00 -0.75 0.00 0.00 64.21 63.92 1ttf n SER 85 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ttf s LYS 86 N -3.60 2.37 0.74 -1.46 3.01 -1.26 -5.07 119.74 114.46 1ttf s LYS 86 Ca 0.11 -3.04 -0.12 0.00 -1.01 0.00 0.00 55.97 51.92 1ttf s LYS 86 Cb -0.01 -3.45 0.04 0.00 -1.01 0.00 0.00 37.83 33.39 1ttf s LYS 86 CO 0.07 -1.22 1.09 -1.25 0.51 0.00 0.00 175.35 174.56 1ttf s PRO 87 N -0.96 2.48 -0.13 -1.68 0.04 -1.26 -4.59 135.00 128.90 1ttf s PRO 87 Ca 0.22 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 1ttf s PRO 87 Cb -0.13 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1ttf s PRO 87 CO -0.10 -1.47 0.34 -1.50 0.04 0.00 0.00 177.00 174.31 1ttf s ILE 88 N -2.81 -0.01 -0.04 0.56 2.07 -1.11 -5.03 121.20 114.83 1ttf s ILE 88 Ca 0.62 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.93 1ttf s ILE 88 Cb -0.17 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1ttf s ILE 88 CO 0.53 0.01 -0.14 -0.44 -1.91 0.00 0.00 174.94 172.99 1ttf s SER 89 N 0.52 1.83 -0.07 4.50 0.01 -1.26 -2.36 113.70 116.87 1ttf s SER 89 Ca -0.03 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1ttf s SER 89 Cb -0.04 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 1ttf s SER 89 CO -0.03 0.11 -0.19 0.27 0.41 0.00 0.00 173.24 173.81 1ttf s ILE 90 N 0.18 2.62 0.02 1.44 -0.00 -0.87 -4.99 121.20 119.60 1ttf s ILE 90 Ca -0.05 -0.86 -0.06 0.00 -0.00 0.00 0.00 60.65 59.67 1ttf s ILE 90 Cb -0.11 -2.01 -0.05 0.00 -0.00 0.00 0.00 42.46 40.29 1ttf s ILE 90 CO 0.02 0.57 0.28 0.54 -0.00 0.00 0.00 174.94 176.35 1ttf s ASN 91 N -0.27 6.50 -0.03 4.36 4.22 -1.26 -2.61 114.94 125.85 1ttf s ASN 91 Ca 0.01 0.57 -0.29 0.00 -2.14 0.00 0.00 52.86 51.01 1ttf s ASN 91 Cb -0.13 -2.09 0.11 0.00 1.28 0.00 0.00 41.25 40.41 1ttf s ASN 91 CO 0.03 0.23 0.90 -0.47 -2.04 0.00 0.00 177.10 175.75 1ttf s TYR 92 N -1.34 -0.36 -0.37 1.54 5.04 -1.02 -5.03 117.35 115.82 1ttf s TYR 92 Ca 0.29 0.30 -0.19 0.00 -2.44 0.00 0.00 57.07 55.04 1ttf s TYR 92 Cb -0.13 0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.70 1ttf s TYR 92 CO 0.17 -0.51 0.54 1.03 -1.34 0.00 0.00 175.55 175.44 1ttf s ARG 93 N -2.75 3.52 0.00 4.97 0.52 -1.26 -1.10 118.95 122.84 1ttf s ARG 93 Ca 0.03 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1ttf s ARG 93 Cb -0.01 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.61 1ttf s ARG 93 CO -0.07 -0.74 0.45 0.25 0.02 0.00 0.00 175.30 175.21