#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 0.64 0.00 -1.34 7.64 -1.26 -5.09 113.62 114.20 1ttf n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ttf n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ttf n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ttf n ASP 3 N 0.00 0.00 -4.33 6.43 2.03 -1.26 -4.75 116.55 114.67 1ttf n ASP 3 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1ttf n ASP 3 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1ttf n ASP 3 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ttf s VAL 4 N -0.89 2.19 1.15 5.18 -7.23 -1.26 -4.85 120.40 114.68 1ttf s VAL 4 Ca 0.00 -1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 58.96 1ttf s VAL 4 Cb 0.00 -1.77 0.19 0.00 0.56 0.00 0.00 36.38 35.37 1ttf s VAL 4 CO 0.00 0.58 0.49 -2.65 -0.31 0.00 0.00 175.10 173.21 1ttf n PRO 5 N 2.44 -2.02 -3.92 4.82 -0.01 -1.26 -5.04 135.00 130.01 1ttf n PRO 5 Ca -0.16 -0.57 0.01 0.00 -0.01 0.00 0.00 63.50 62.78 1ttf n PRO 5 Cb 0.51 -1.92 0.01 0.00 -0.01 0.00 0.00 33.50 32.09 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 175.50 174.51 1ttf s ARG 6 N -3.89 0.56 -1.03 -0.52 1.70 -1.26 -5.03 118.95 109.48 1ttf s ARG 6 Ca 0.62 -0.36 -0.13 0.00 -0.47 0.00 0.00 55.73 55.39 1ttf s ARG 6 Cb -0.18 0.16 -0.02 0.00 -0.57 0.00 0.00 34.95 34.33 1ttf s ARG 6 CO 0.66 -0.26 0.79 -0.25 -1.08 0.00 0.00 175.30 175.16 1ttf n ASP 7 N -1.01 -5.95 -4.49 -2.89 9.92 -1.26 -2.32 116.55 108.55 1ttf n ASP 7 Ca 0.01 -0.81 -0.42 0.00 -0.53 0.00 0.00 54.79 53.04 1ttf n ASP 7 Cb 0.59 -3.90 -0.10 0.00 -0.64 0.00 0.00 41.12 37.07 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 -5.75 4.84 0.16 0.64 1.02 -1.26 -4.21 118.68 114.11 1ttf s LEU 8 Ca 0.36 -0.65 0.02 0.00 0.02 0.00 0.00 54.13 53.88 1ttf s LEU 8 Cb -0.11 -2.25 -0.05 0.00 0.02 0.00 0.00 46.19 43.81 1ttf s LEU 8 CO 0.82 -0.43 -0.00 -1.61 0.02 0.00 0.00 176.35 175.15 1ttf s GLU 9 N 1.87 1.06 -0.32 1.70 8.01 -1.11 -5.03 118.70 124.88 1ttf s GLU 9 Ca 0.08 -1.50 -0.21 0.00 0.01 0.00 0.00 54.97 53.35 1ttf s GLU 9 Cb -0.18 -0.22 -0.00 0.00 -4.31 0.00 0.00 34.13 29.42 1ttf s GLU 9 CO 0.11 -0.13 0.67 0.08 0.01 0.00 0.00 175.26 176.01 1ttf s VAL 10 N -3.68 4.88 -1.34 2.63 1.01 -1.26 -2.77 120.40 119.87 1ttf s VAL 10 Ca 0.22 0.86 0.29 0.00 0.00 0.00 0.00 61.98 63.35 1ttf s VAL 10 Cb 0.06 -4.06 0.37 0.00 0.00 0.00 0.00 36.38 32.75 1ttf s VAL 10 CO 0.03 -0.22 1.89 0.52 0.00 0.00 0.00 175.10 177.32 1ttf n VAL 11 N 5.50 0.00 0.00 2.92 0.31 -0.19 -4.95 118.33 121.92 1ttf n VAL 11 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ttf n VAL 11 Cb 0.49 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 -1.26 0.00 -3.30 3.52 0.00 -1.15 -4.96 120.51 113.37 1ttf n ALA 12 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1ttf n ALA 12 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.99 0.07 0.00 0.00 -1.26 -2.44 121.76 115.14 1ttf s ALA 13 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1ttf s ALA 13 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1ttf s ALA 13 CO 0.00 -0.23 -0.04 0.95 0.00 0.00 0.00 175.76 176.43 1ttf s THR 14 N -0.51 0.40 -0.46 0.00 -4.23 0.22 -4.98 115.64 106.08 1ttf s THR 14 Ca -0.06 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1ttf s THR 14 Cb -0.04 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1ttf s THR 14 CO 0.03 -0.94 0.65 -2.65 -0.54 0.00 0.00 174.62 171.17 1ttf n PRO 15 N 0.04 0.00 -2.46 3.99 -0.02 -1.26 -1.97 135.00 133.33 1ttf n PRO 15 Ca -0.13 0.19 -0.02 0.00 -2.02 0.00 0.00 63.50 61.51 1ttf n PRO 15 Cb 0.61 -1.76 0.10 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.15 0.00 -3.65 3.45 -1.04 -1.26 -4.93 114.28 105.70 1ttf n THR 16 Ca 0.00 -0.87 -0.03 0.00 -2.04 0.00 0.00 64.05 61.11 1ttf n THR 16 Cb 0.26 0.89 -0.07 0.00 -1.82 0.00 0.00 70.33 69.59 1ttf n THR 16 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ttf s SER 17 N -0.90 -0.20 -0.08 8.00 0.15 -0.83 -4.17 113.70 115.67 1ttf s SER 17 Ca 0.09 0.36 0.01 0.00 0.70 0.00 0.00 55.95 57.11 1ttf s SER 17 Cb 0.35 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 65.33 1ttf s SER 17 CO -0.10 -0.06 -0.08 -0.22 1.20 0.00 0.00 173.24 173.98 1ttf s LEU 18 N 0.51 1.35 -0.19 3.45 2.96 0.99 0.73 118.68 128.48 1ttf s LEU 18 Ca 0.00 -0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 53.60 1ttf s LEU 18 Cb -0.04 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1ttf s LEU 18 CO -0.12 -0.05 0.03 -0.22 -1.32 0.00 0.00 176.35 174.66 1ttf s LEU 19 N 1.18 3.48 0.26 -0.68 0.20 -1.02 -0.99 118.68 121.11 1ttf s LEU 19 Ca -0.06 -0.09 0.06 0.00 0.69 0.00 0.00 54.13 54.73 1ttf s LEU 19 Cb -0.14 -1.88 -0.06 0.00 -0.43 0.00 0.00 46.19 43.68 1ttf s LEU 19 CO -0.02 0.10 -0.05 0.27 -0.29 0.00 0.00 176.35 176.36 1ttf s ILE 20 N 0.78 1.54 -0.14 6.68 -4.36 -1.07 -1.02 121.20 123.61 1ttf s ILE 20 Ca 0.02 -2.11 -0.29 0.00 -0.26 0.00 0.00 60.65 58.00 1ttf s ILE 20 Cb -0.14 -2.40 0.08 0.00 1.25 0.00 0.00 42.46 41.25 1ttf s ILE 20 CO 0.02 -0.33 0.75 -0.44 0.24 0.00 0.00 174.94 175.19 1ttf s SER 21 N -3.41 -0.63 0.00 4.36 0.01 -1.11 -2.38 113.70 110.54 1ttf s SER 21 Ca 0.29 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1ttf s SER 21 Cb 0.04 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.05 1ttf s SER 21 CO 0.11 -0.45 0.00 -2.67 0.41 0.00 0.00 173.24 170.64 1ttf n TRP 22 N 1.45 0.00 -2.91 2.43 2.14 -1.03 -2.75 117.44 116.77 1ttf n TRP 22 Ca -0.16 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.22 1ttf n TRP 22 Cb 0.56 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 31.11 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 1.06 5.24 0.40 -0.67 2.15 -0.98 -4.90 116.67 118.98 1ttf s ASP 23 Ca 0.00 -0.51 0.04 0.00 0.43 0.00 0.00 52.55 52.51 1ttf s ASP 23 Cb 0.00 -0.27 -0.00 0.00 -0.30 0.00 0.00 42.92 42.35 1ttf s ASP 23 CO 0.00 -1.16 0.58 0.00 -0.17 0.00 0.00 175.17 174.42 1ttf s ALA 24 N -2.62 4.03 1.14 3.66 0.00 -1.26 -4.85 121.76 121.86 1ttf s ALA 24 Ca 0.59 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 1ttf s ALA 24 Cb -0.08 -1.89 0.27 0.00 0.00 0.00 0.00 23.12 21.42 1ttf s ALA 24 CO 0.37 -0.24 1.04 -1.25 0.00 0.00 0.00 175.76 175.68 1ttf s PRO 25 N -4.38 -0.74 0.00 0.00 0.04 -1.26 -4.91 135.00 123.74 1ttf s PRO 25 Ca 0.48 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1ttf s PRO 25 Cb -0.10 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1ttf s PRO 25 CO 0.34 -3.60 0.00 0.00 0.04 0.00 0.00 177.00 173.78 1ttf n ALA 26 N -4.83 0.63 -1.86 8.56 0.00 -1.26 -4.91 120.51 116.85 1ttf n ALA 26 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ttf n ALA 26 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1ttf n ALA 26 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ttf n VAL 27 N -1.38 0.00 -1.16 0.00 0.24 -1.26 -4.89 118.33 109.87 1ttf n VAL 27 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1ttf n VAL 27 Cb 0.00 -1.42 0.01 0.00 -1.47 0.00 0.00 33.84 30.97 1ttf n VAL 27 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ttf n THR 28 N -0.67 0.00 -4.00 3.34 -2.24 -1.26 -4.97 114.28 104.48 1ttf n THR 28 Ca 0.00 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 1ttf n THR 28 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1ttf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ttf s VAL 29 N -1.92 0.24 -0.12 2.28 1.01 -1.26 -4.74 120.40 115.88 1ttf s VAL 29 Ca 0.52 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1ttf s VAL 29 Cb -0.43 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1ttf s VAL 29 CO 0.66 -0.33 -0.20 0.54 0.00 0.00 0.00 175.10 175.77 1ttf n ARG 30 N 1.92 0.32 -3.44 2.72 1.74 -0.40 -4.99 116.66 114.52 1ttf n ARG 30 Ca -0.21 0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 1ttf n ARG 30 Cb 0.56 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 30.93 1ttf n ARG 30 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ttf s TYR 31 N -2.35 -0.56 -0.27 -1.55 2.02 -1.08 -4.76 117.35 108.80 1ttf s TYR 31 Ca -0.20 0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 56.98 1ttf s TYR 31 Cb 0.06 0.53 0.05 0.00 -0.40 0.00 0.00 41.96 42.20 1ttf s TYR 31 CO 0.26 -0.79 -0.05 0.71 -1.57 0.00 0.00 175.55 174.11 1ttf s TYR 32 N -3.21 3.20 -0.03 2.71 1.51 -0.88 -2.15 117.35 118.50 1ttf s TYR 32 Ca -0.01 -1.91 -0.03 0.00 -1.01 0.00 0.00 57.07 54.10 1ttf s TYR 32 Cb -0.01 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1ttf s TYR 32 CO -0.08 -0.81 0.17 1.03 -1.11 0.00 0.00 175.55 174.75 1ttf s ARG 33 N 1.23 3.43 -0.17 -0.62 0.52 -1.02 -1.10 118.95 121.21 1ttf s ARG 33 Ca -0.05 -0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 54.83 1ttf s ARG 33 Cb -0.19 -3.11 0.07 0.00 0.52 0.00 0.00 34.95 32.24 1ttf s ARG 33 CO -0.03 0.69 0.12 0.42 0.02 0.00 0.00 175.30 176.52 1ttf s ILE 34 N -1.27 -0.15 0.14 1.52 1.09 -1.02 -1.51 121.20 120.01 1ttf s ILE 34 Ca 0.25 -0.13 0.10 0.00 -1.10 0.00 0.00 60.65 59.77 1ttf s ILE 34 Cb -0.12 -0.58 -0.04 0.00 -1.06 0.00 0.00 42.46 40.65 1ttf s ILE 34 CO 0.16 -0.25 -0.24 0.42 -0.10 0.00 0.00 174.94 174.93 1ttf s THR 35 N 2.18 2.10 0.04 2.92 -4.23 -0.94 -2.54 115.64 115.18 1ttf s THR 35 Ca 0.03 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1ttf s THR 35 Cb -0.16 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1ttf s THR 35 CO -0.09 -0.03 0.11 -0.72 -0.54 0.00 0.00 174.62 173.34 1ttf s TYR 36 N -1.31 0.19 0.00 3.99 1.13 -0.96 -1.47 117.35 118.92 1ttf s TYR 36 Ca 0.14 -0.50 0.00 0.00 -1.41 0.00 0.00 57.07 55.29 1ttf s TYR 36 Cb -0.09 -0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.63 1ttf s TYR 36 CO 0.06 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.13 1ttf n GLY 37 N 0.68 2.16 3.56 5.49 0.00 -1.00 0.44 105.19 116.54 1ttf n GLY 37 Ca -0.19 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1ttf n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ttf s GLU 38 N -1.72 -0.22 0.34 1.61 1.03 -1.26 -2.45 118.70 116.02 1ttf s GLU 38 Ca 0.00 0.99 -0.27 0.00 0.03 0.00 0.00 54.97 55.73 1ttf s GLU 38 Cb 0.00 -1.62 -0.09 0.00 -0.80 0.00 0.00 34.13 31.61 1ttf s GLU 38 CO 0.00 -3.30 1.05 -0.08 -1.33 0.00 0.00 175.26 171.60 1ttf s THR 39 N -2.57 3.72 0.00 1.83 -1.32 -1.24 -4.71 115.64 111.34 1ttf s THR 39 Ca 0.67 1.49 0.00 0.00 -1.21 0.00 0.00 61.69 62.65 1ttf s THR 39 Cb -0.23 -3.86 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 1ttf s THR 39 CO 0.62 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.82 1ttf n GLY 40 N 0.74 0.09 0.00 6.08 0.00 -1.26 -5.10 105.19 105.74 1ttf n GLY 40 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.01 2.34 -0.02 0.00 -1.26 -4.98 105.19 100.26 1ttf n GLY 41 Ca 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 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 1.55 -3.24 1.61 5.15 -1.26 -4.96 115.26 114.11 1ttf n ASN 42 Ca 0.00 -3.11 -0.24 0.00 -0.60 0.00 0.00 54.58 50.63 1ttf n ASN 42 Cb 0.00 -0.61 -0.07 0.00 -0.53 0.00 0.00 39.78 38.56 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ttf n SER 43 N 0.40 1.04 -4.73 1.20 2.88 -1.26 -5.10 113.62 108.04 1ttf n SER 43 Ca 0.26 -2.88 -0.42 0.00 -1.33 0.00 0.00 58.87 54.50 1ttf n SER 43 Cb 0.58 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.54 4.15 0.20 -1.46 0.02 -1.26 -4.73 135.00 130.37 1ttf s PRO 44 Ca 0.36 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.79 1ttf s PRO 44 Cb 0.17 -3.08 0.22 0.00 0.02 0.00 0.00 34.50 31.83 1ttf s PRO 44 CO -0.09 -0.69 1.66 0.28 -0.33 0.00 0.00 177.00 177.83 1ttf h VAL 45 N 3.76 0.50 -2.60 3.83 2.07 -0.34 -3.45 116.25 120.02 1ttf h VAL 45 Ca -0.44 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.18 1ttf h VAL 45 Cb 1.21 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1ttf h VAL 45 CO 0.91 0.01 0.38 -1.10 0.02 0.00 0.00 177.57 177.79 1ttf s GLN 46 N -6.19 1.35 -0.04 1.57 -1.52 -1.10 -5.03 119.66 108.70 1ttf s GLN 46 Ca -0.14 -0.71 -0.12 0.00 -1.95 0.00 0.00 55.36 52.45 1ttf s GLN 46 Cb 0.18 0.48 0.02 0.00 -0.22 0.00 0.00 33.01 33.47 1ttf s GLN 46 CO 0.73 -0.61 0.26 -2.00 -0.25 0.00 0.00 175.29 173.42 1ttf s GLU 47 N -3.51 0.52 -0.20 2.91 2.12 -1.26 -2.26 118.70 117.02 1ttf s GLU 47 Ca 0.10 -0.05 -0.15 0.00 0.36 0.00 0.00 54.97 55.23 1ttf s GLU 47 Cb -0.03 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.65 1ttf s GLU 47 CO 0.01 -0.12 0.51 -0.59 -0.54 0.00 0.00 175.26 174.52 1ttf s PHE 48 N -0.88 -0.66 0.02 5.30 -0.71 -1.05 -5.01 117.98 114.98 1ttf s PHE 48 Ca -0.10 1.47 -0.01 0.00 -1.04 0.00 0.00 56.93 57.25 1ttf s PHE 48 Cb -0.05 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 1ttf s PHE 48 CO 0.02 -0.34 0.18 -0.08 -1.34 0.00 0.00 175.22 173.67 1ttf s THR 49 N 0.89 5.34 0.02 -4.49 -1.32 -1.26 -2.42 115.64 112.40 1ttf s THR 49 Ca -0.05 -0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 60.14 1ttf s THR 49 Cb -0.05 -3.53 -0.02 0.00 -1.51 0.00 0.00 72.50 67.39 1ttf s THR 49 CO -0.07 0.26 -0.00 0.68 -2.21 0.00 0.00 174.62 173.27 1ttf s VAL 50 N -1.38 0.11 -0.01 5.08 -7.23 -0.26 -4.96 120.40 111.76 1ttf s VAL 50 Ca 0.30 -0.95 -0.36 0.00 -1.81 0.00 0.00 61.98 59.17 1ttf s VAL 50 Cb -0.13 -0.39 -0.14 0.00 0.56 0.00 0.00 36.38 36.28 1ttf s VAL 50 CO 0.22 -0.52 1.66 -2.65 -0.31 0.00 0.00 175.10 173.50 1ttf n PRO 51 N 1.45 1.81 0.00 4.82 -0.01 -1.26 -2.07 135.00 139.74 1ttf n PRO 51 Ca -0.23 0.66 0.00 0.00 -0.01 0.00 0.00 63.50 63.92 1ttf n PRO 51 Cb 0.56 -2.42 0.00 0.00 -0.01 0.00 0.00 33.50 31.63 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ttf n GLY 52 N 3.70 0.12 0.20 -1.23 0.00 -1.26 -3.11 105.19 103.62 1ttf n GLY 52 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 0.66 0.81 -3.32 1.61 0.02 -2.00 -3.43 113.55 107.91 1ttf h SER 53 Ca 0.00 -0.62 -0.12 0.00 -0.84 0.00 0.00 61.79 60.21 1ttf h SER 53 Cb 0.05 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 62.38 1ttf h SER 53 CO 0.00 1.30 0.06 0.29 -1.14 0.00 0.00 176.83 177.34 1ttf n LYS 54 N -4.07 0.14 -0.20 3.45 5.02 -1.18 -5.03 118.16 116.28 1ttf n LYS 54 Ca -0.07 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 1ttf n LYS 54 Cb 0.67 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1ttf n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ttf n SER 55 N -3.07 0.00 -4.39 4.39 7.64 -1.26 -4.85 113.62 112.09 1ttf n SER 55 Ca 0.04 -1.40 -0.25 0.00 1.01 0.00 0.00 58.87 58.27 1ttf n SER 55 Cb 0.15 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.00 1.03 -0.30 0.44 -4.23 -1.26 -2.47 115.64 108.85 1ttf s THR 56 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1ttf s THR 56 Cb 0.00 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.46 1ttf s THR 56 CO 0.00 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.08 1ttf s ALA 57 N -3.15 -2.62 0.08 3.99 0.00 -1.00 -5.00 121.76 114.07 1ttf s ALA 57 Ca 0.27 2.08 -0.08 0.00 0.00 0.00 0.00 51.96 54.23 1ttf s ALA 57 Cb 0.05 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1ttf s ALA 57 CO 0.13 -0.80 0.37 -0.08 0.00 0.00 0.00 175.76 175.38 1ttf s THR 58 N 2.16 5.16 0.03 0.00 -1.32 -1.26 -2.58 115.64 117.82 1ttf s THR 58 Ca -0.04 0.26 0.02 0.00 -1.21 0.00 0.00 61.69 60.72 1ttf s THR 58 Cb -0.05 -3.62 -0.02 0.00 -1.51 0.00 0.00 72.50 67.30 1ttf s THR 58 CO -0.17 0.22 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.78 1ttf s ILE 59 N -1.46 0.42 0.03 5.08 1.01 -0.16 -5.01 121.20 121.11 1ttf s ILE 59 Ca 0.34 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 1ttf s ILE 59 Cb -0.13 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1ttf s ILE 59 CO 0.20 -0.26 0.33 -0.55 0.00 0.00 0.00 174.94 174.65 1ttf s SER 60 N -1.14 -0.17 0.00 3.58 0.15 -1.26 -0.00 113.70 114.86 1ttf s SER 60 Ca -0.07 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1ttf s SER 60 Cb -0.08 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1ttf s SER 60 CO 0.00 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1ttf n GLY 61 N 0.69 1.30 2.53 9.45 0.00 -1.26 -5.02 105.19 112.87 1ttf n GLY 61 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1ttf n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ttf n LEU 62 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.95 117.00 116.55 1ttf n LEU 62 Ca 0.00 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1ttf n LEU 62 Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1ttf n LEU 62 CO 0.00 -2.25 0.00 1.17 -1.33 0.00 0.00 177.39 174.98 1ttf n LYS 63 N -1.30 0.00 0.00 3.23 0.00 -1.26 -4.98 118.16 113.85 1ttf n LYS 63 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1ttf n LYS 63 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.28 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 -1.14 0.14 -3.19 1.64 -0.05 -1.26 -5.08 135.00 126.06 1ttf n PRO 64 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 63.50 63.37 1ttf n PRO 64 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 33.50 33.42 1ttf n PRO 64 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1ttf s GLY 65 N -2.61 -0.68 0.28 0.55 0.00 -1.26 -5.06 107.32 98.54 1ttf s GLY 65 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 44.72 44.15 1ttf s GLY 65 CO 0.00 3.25 0.51 1.55 0.00 0.00 0.00 173.10 178.41 1ttf n VAL 66 N 3.97 0.00 -1.55 1.40 3.14 -0.91 -4.98 118.33 119.39 1ttf n VAL 66 Ca 0.14 -0.91 -0.34 0.00 -2.96 0.00 0.00 64.34 60.28 1ttf n VAL 66 Cb 0.52 0.75 -0.05 0.00 -1.06 0.00 0.00 33.84 34.00 1ttf n VAL 66 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1ttf n ASP 67 N -1.50 2.00 -4.75 6.55 9.92 -1.26 -2.31 116.55 125.21 1ttf n ASP 67 Ca -0.04 -0.57 -0.37 0.00 -0.53 0.00 0.00 54.79 53.27 1ttf n ASP 67 Cb 0.43 -1.52 -0.06 0.00 -0.64 0.00 0.00 41.12 39.33 1ttf n ASP 67 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ttf s TYR 68 N 12.11 3.53 -0.16 1.24 2.02 -0.67 -3.64 117.35 131.78 1ttf s TYR 68 Ca 1.02 0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 58.48 1ttf s TYR 68 Cb -0.28 -2.40 -0.01 0.00 -0.40 0.00 0.00 41.96 38.86 1ttf s TYR 68 CO 0.27 0.29 -0.10 0.99 -1.57 0.00 0.00 175.55 175.43 1ttf s THR 69 N 0.22 3.25 0.13 -0.71 2.01 -1.03 -2.03 115.64 117.48 1ttf s THR 69 Ca 0.21 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.72 1ttf s THR 69 Cb -0.14 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1ttf s THR 69 CO 0.08 0.50 -0.11 0.27 -0.69 0.00 0.00 174.62 174.67 1ttf s ILE 70 N 0.62 3.23 -0.08 1.82 -5.25 -1.04 -2.37 121.20 118.13 1ttf s ILE 70 Ca -0.06 -1.42 -0.03 0.00 -0.99 0.00 0.00 60.65 58.16 1ttf s ILE 70 Cb -0.15 -2.53 0.05 0.00 2.95 0.00 0.00 42.46 42.77 1ttf s ILE 70 CO 0.03 0.05 0.16 -0.89 -1.79 0.00 0.00 174.94 172.49 1ttf s THR 71 N -1.34 -0.24 -0.10 8.37 2.01 -0.54 -2.10 115.64 121.70 1ttf s THR 71 Ca 0.22 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 1ttf s THR 71 Cb -0.10 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1ttf s THR 71 CO 0.14 0.14 0.14 0.68 -0.69 0.00 0.00 174.62 175.03 1ttf s VAL 72 N 2.20 5.42 -0.49 3.82 -7.23 -0.81 -2.21 120.40 121.10 1ttf s VAL 72 Ca 0.02 0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.26 1ttf s VAL 72 Cb -0.12 -3.39 0.13 0.00 0.56 0.00 0.00 36.38 33.56 1ttf s VAL 72 CO -0.06 0.56 0.30 -0.31 -0.31 0.00 0.00 175.10 175.29 1ttf s TYR 73 N -1.08 3.52 -0.90 2.82 1.51 -0.57 -2.76 117.35 119.88 1ttf s TYR 73 Ca 0.17 -2.41 -0.24 0.00 -1.01 0.00 0.00 57.07 53.58 1ttf s TYR 73 Cb -0.12 -3.28 0.01 0.00 -0.11 0.00 0.00 41.96 38.46 1ttf s TYR 73 CO 0.07 -0.94 1.65 0.00 -1.11 0.00 0.00 175.55 175.22 1ttf s ALA 74 N 0.82 2.28 -0.34 3.71 0.00 -1.26 -2.45 121.76 124.53 1ttf s ALA 74 Ca 0.10 -1.72 -0.26 0.00 0.00 0.00 0.00 51.96 50.08 1ttf s ALA 74 Cb -0.22 -4.48 0.01 0.00 0.00 0.00 0.00 23.12 18.42 1ttf s ALA 74 CO -0.04 -4.04 0.93 0.08 0.00 0.00 0.00 175.76 172.70 1ttf s VAL 75 N 7.32 4.62 -0.01 0.00 1.01 -0.92 -4.57 120.40 127.85 1ttf s VAL 75 Ca 0.55 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1ttf s VAL 75 Cb -0.05 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1ttf s VAL 75 CO -0.01 -0.45 -0.01 0.35 0.00 0.00 0.00 175.10 174.99 1ttf n THR 76 N 5.83 0.06 -1.03 3.92 -2.24 -1.26 -1.28 114.28 118.27 1ttf n THR 76 Ca 0.08 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1ttf n THR 76 Cb 0.48 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 3.41 -4.00 0.05 3.38 0.00 -1.26 -4.48 105.19 102.30 1ttf n GLY 77 Ca -0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 1ttf n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ttf h ARG 78 N 0.93 0.00 0.00 1.61 2.43 -1.89 -3.49 114.38 113.98 1ttf h ARG 78 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ttf h ARG 78 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1ttf h ARG 78 CO 0.00 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 1ttf n GLY 79 N 1.74 -0.39 2.02 2.80 0.00 -1.26 -5.03 105.19 105.07 1ttf n GLY 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ttf n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ttf n ASP 80 N 0.00 -0.43 -4.47 1.61 -0.08 -1.26 -5.07 116.55 106.85 1ttf n ASP 80 Ca 0.00 0.36 -0.39 0.00 -1.51 0.00 0.00 54.79 53.25 1ttf n ASP 80 Cb 0.00 0.56 -0.11 0.00 2.34 0.00 0.00 41.12 43.90 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ttf s SER 81 N -4.30 5.68 -0.65 1.67 0.15 -1.26 -5.02 113.70 109.97 1ttf s SER 81 Ca 0.00 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 55.93 1ttf s SER 81 Cb 0.00 -2.04 -0.06 0.00 -1.71 0.00 0.00 66.02 62.21 1ttf s SER 81 CO 0.00 -0.19 2.14 -2.16 1.20 0.00 0.00 173.24 174.23 1ttf s PRO 82 N 1.65 2.28 0.12 5.44 0.04 -1.26 -4.55 135.00 138.72 1ttf s PRO 82 Ca 0.05 0.68 0.10 0.00 0.04 0.00 0.00 61.00 61.88 1ttf s PRO 82 Cb -0.17 -4.63 -0.04 0.00 0.04 0.00 0.00 34.50 29.70 1ttf s PRO 82 CO 0.07 -3.30 -0.24 0.00 0.04 0.00 0.00 177.00 173.57 1ttf s ALA 83 N 11.18 2.45 0.11 8.56 0.00 -1.26 -5.09 121.76 137.72 1ttf s ALA 83 Ca 0.81 -1.42 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1ttf s ALA 83 Cb -0.13 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 1ttf s ALA 83 CO 0.17 0.55 1.64 -1.54 0.00 0.00 0.00 175.76 176.58 1ttf s SER 84 N -2.01 6.57 0.00 0.00 1.04 -1.26 -4.69 113.70 113.35 1ttf s SER 84 Ca 0.15 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.15 1ttf s SER 84 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1ttf s SER 84 CO 0.07 -0.88 0.00 -1.20 0.98 0.00 0.00 173.24 172.21 1ttf n SER 85 N 4.97 0.00 -3.19 7.02 7.64 -1.26 -4.90 113.62 123.90 1ttf n SER 85 Ca 0.15 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.83 1ttf n SER 85 Cb 0.39 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1ttf n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ttf n LYS 86 N 0.00 0.89 -0.89 1.43 4.81 -1.26 -5.12 118.16 118.02 1ttf n LYS 86 Ca 0.00 -3.33 -0.33 0.00 -0.87 0.00 0.00 58.31 53.78 1ttf n LYS 86 Cb 0.00 -1.53 0.12 0.00 0.02 0.00 0.00 35.03 33.64 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ttf n PRO 87 N 0.68 -0.16 -3.87 1.64 -0.02 -1.26 -4.86 135.00 127.15 1ttf n PRO 87 Ca 0.24 0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1ttf n PRO 87 Cb 0.61 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 1ttf n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ttf s ILE 88 N -2.33 0.13 0.08 4.25 1.10 -1.11 -5.03 121.20 118.28 1ttf s ILE 88 Ca 0.63 -1.05 -0.07 0.00 -0.51 0.00 0.00 60.65 59.65 1ttf s ILE 88 Cb -0.25 -1.06 -0.01 0.00 0.15 0.00 0.00 42.46 41.30 1ttf s ILE 88 CO 0.61 -0.58 0.14 -0.94 -2.11 0.00 0.00 174.94 172.06 1ttf s SER 89 N -2.35 0.21 -0.01 4.50 1.04 -1.26 -1.92 113.70 113.90 1ttf s SER 89 Ca -0.02 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 55.55 1ttf s SER 89 Cb 0.01 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1ttf s SER 89 CO -0.06 -0.69 0.28 0.27 0.98 0.00 0.00 173.24 174.01 1ttf s ILE 90 N -3.85 0.06 0.15 -1.02 -4.36 -0.89 -5.00 121.20 106.28 1ttf s ILE 90 Ca 0.05 -0.50 0.03 0.00 -0.26 0.00 0.00 60.65 59.97 1ttf s ILE 90 Cb 0.05 -0.58 -0.04 0.00 1.25 0.00 0.00 42.46 43.15 1ttf s ILE 90 CO -0.11 -0.27 0.24 0.54 0.24 0.00 0.00 174.94 175.58 1ttf s ASN 91 N -1.30 6.14 -0.29 4.36 4.22 -1.26 -2.48 114.94 124.33 1ttf s ASN 91 Ca -0.13 0.11 -0.21 0.00 -2.14 0.00 0.00 52.86 50.49 1ttf s ASN 91 Cb -0.06 -1.80 0.18 0.00 1.28 0.00 0.00 41.25 40.85 1ttf s ASN 91 CO 0.04 0.06 1.25 -0.47 -2.04 0.00 0.00 177.10 175.94 1ttf s TYR 92 N -1.72 -0.21 -0.62 1.54 5.04 -0.86 -5.00 117.35 115.52 1ttf s TYR 92 Ca 0.34 0.45 -0.26 0.00 -2.44 0.00 0.00 57.07 55.16 1ttf s TYR 92 Cb -0.11 0.30 -0.08 0.00 0.35 0.00 0.00 41.96 42.41 1ttf s TYR 92 CO 0.27 -0.10 2.33 -0.98 -1.34 0.00 0.00 175.55 175.73 1ttf s ARG 93 N 0.61 2.02 0.00 4.97 1.70 -1.26 -1.67 118.95 125.31 1ttf s ARG 93 Ca -0.01 0.96 0.00 0.00 -0.47 0.00 0.00 55.73 56.21 1ttf s ARG 93 Cb -0.04 -4.65 0.00 0.00 -0.57 0.00 0.00 34.95 29.69 1ttf s ARG 93 CO -0.12 -3.60 0.47 2.41 -1.08 0.00 0.00 175.30 173.38