#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttf s SER 2 N 0.00 5.97 0.00 4.52 1.04 -1.26 -4.97 113.70 119.00 1ttf s SER 2 Ca 0.00 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.00 1ttf s SER 2 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1ttf s SER 2 CO 0.00 -1.04 0.00 0.47 0.98 0.00 0.00 173.24 173.65 1ttf n ASP 3 N -2.54 1.34 -4.74 7.02 8.00 -1.26 -4.53 116.55 119.84 1ttf n ASP 3 Ca 0.07 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 1ttf n ASP 3 Cb 0.54 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.72 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 -1.27 4.67 0.98 2.53 1.01 -1.26 -4.74 120.40 122.32 1ttf s VAL 4 Ca 0.00 1.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.63 1ttf s VAL 4 Cb 0.00 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1ttf s VAL 4 CO 0.00 0.34 0.29 -2.65 0.00 0.00 0.00 175.10 173.08 1ttf n PRO 5 N 2.87 -0.50 -3.65 2.72 -0.02 -1.26 -5.00 135.00 130.16 1ttf n PRO 5 Ca -0.00 -0.11 -0.06 0.00 -2.02 0.00 0.00 63.50 61.31 1ttf n PRO 5 Cb 0.50 -1.80 0.02 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.61 0.84 -1.70 -0.52 1.85 -1.26 -5.03 116.66 109.23 1ttf n ARG 6 Ca 0.05 -1.74 0.00 0.00 -1.00 0.00 0.00 57.85 55.16 1ttf n ARG 6 Cb 0.55 2.25 0.00 0.00 -1.05 0.00 0.00 32.46 34.21 1ttf n ARG 6 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1ttf n ASP 7 N -1.38 0.00 -4.77 2.89 5.68 -1.26 -4.11 116.55 113.60 1ttf n ASP 7 Ca -0.05 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.88 1ttf n ASP 7 Cb 0.55 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.46 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ttf s LEU 8 N -0.99 4.26 0.26 -2.12 1.02 -1.26 -4.58 118.68 115.27 1ttf s LEU 8 Ca 0.00 0.32 -0.21 0.00 0.02 0.00 0.00 54.13 54.26 1ttf s LEU 8 Cb 0.00 -2.11 0.05 0.00 0.02 0.00 0.00 46.19 44.15 1ttf s LEU 8 CO 0.00 0.23 0.85 -1.61 0.02 0.00 0.00 176.35 175.84 1ttf s GLU 9 N 0.00 1.67 0.15 1.70 2.02 -1.08 -5.05 118.70 118.12 1ttf s GLU 9 Ca 0.11 -0.99 -0.20 0.00 0.02 0.00 0.00 54.97 53.91 1ttf s GLU 9 Cb -0.11 0.53 -0.07 0.00 0.10 0.00 0.00 34.13 34.57 1ttf s GLU 9 CO 0.00 -0.77 0.66 0.08 0.02 0.00 0.00 175.26 175.24 1ttf s VAL 10 N -3.12 4.63 0.00 2.63 1.01 -1.26 -2.71 120.40 121.58 1ttf s VAL 10 Ca 0.14 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1ttf s VAL 10 Cb -0.04 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1ttf s VAL 10 CO 0.07 0.39 0.03 0.55 0.00 0.00 0.00 175.10 176.13 1ttf n VAL 11 N 1.23 0.00 -3.56 2.92 3.14 -1.09 -4.97 118.33 115.99 1ttf n VAL 11 Ca -0.06 -0.23 -0.06 0.00 -2.96 0.00 0.00 64.34 61.03 1ttf n VAL 11 Cb 0.51 1.07 -0.02 0.00 -1.06 0.00 0.00 33.84 34.34 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ttf s ALA 12 N -0.39 -1.91 -0.04 1.55 0.00 -1.20 -5.00 121.76 114.76 1ttf s ALA 12 Ca 0.00 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.86 1ttf s ALA 12 Cb 0.00 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1ttf s ALA 12 CO 0.00 -0.70 0.48 0.00 0.00 0.00 0.00 175.76 175.53 1ttf s ALA 13 N -2.87 -1.23 0.11 0.00 0.00 -1.26 -2.60 121.76 113.91 1ttf s ALA 13 Ca 0.07 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.87 1ttf s ALA 13 Cb -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1ttf s ALA 13 CO -0.06 -0.30 -0.04 0.95 0.00 0.00 0.00 175.76 176.31 1ttf s THR 14 N -1.13 0.59 -0.37 0.00 -4.23 0.23 -4.98 115.64 105.74 1ttf s THR 14 Ca -0.11 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1ttf s THR 14 Cb -0.03 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1ttf s THR 14 CO 0.06 -0.76 0.89 -2.65 -0.54 0.00 0.00 174.62 171.62 1ttf n PRO 15 N -0.08 0.02 -2.67 3.99 -0.02 -1.26 -2.30 135.00 132.69 1ttf n PRO 15 Ca -0.10 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.66 1ttf n PRO 15 Cb 0.62 -1.84 0.09 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.47 0.00 0.00 3.45 -1.04 -1.26 -4.88 114.28 109.08 1ttf n THR 16 Ca -0.00 -1.24 0.00 0.00 -2.04 0.00 0.00 64.05 60.77 1ttf n THR 16 Cb 0.27 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 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 -0.63 0.00 -4.07 8.00 2.88 -0.97 -4.66 113.62 114.17 1ttf n SER 17 Ca -0.10 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.24 1ttf n SER 17 Cb 0.80 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.11 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 2.03 -0.28 2.46 0.20 0.70 0.74 118.68 124.53 1ttf s LEU 18 Ca 0.00 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.56 1ttf s LEU 18 Cb 0.00 -0.60 0.03 0.00 -0.43 0.00 0.00 46.19 45.19 1ttf s LEU 18 CO 0.00 0.13 0.00 -0.22 -0.29 0.00 0.00 176.35 175.98 1ttf s LEU 19 N -0.33 3.62 0.37 -0.68 2.96 -1.07 -0.62 118.68 122.93 1ttf s LEU 19 Ca 0.04 -0.96 0.08 0.00 -0.22 0.00 0.00 54.13 53.06 1ttf s LEU 19 Cb -0.05 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1ttf s LEU 19 CO -0.00 -0.19 0.35 0.27 -1.32 0.00 0.00 176.35 175.45 1ttf s ILE 20 N 1.35 3.22 -0.16 6.68 -4.36 -0.99 -2.68 121.20 124.27 1ttf s ILE 20 Ca -0.01 -1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 58.94 1ttf s ILE 20 Cb -0.18 -3.12 0.05 0.00 1.25 0.00 0.00 42.46 40.46 1ttf s ILE 20 CO -0.01 -0.10 0.41 -0.94 0.24 0.00 0.00 174.94 174.53 1ttf s SER 21 N -4.07 -0.47 0.00 4.36 1.04 -1.10 -2.70 113.70 110.76 1ttf s SER 21 Ca 0.44 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.73 1ttf s SER 21 Cb -0.05 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1ttf s SER 21 CO 0.28 -0.17 0.00 -2.67 0.98 0.00 0.00 173.24 171.66 1ttf n TRP 22 N 3.62 0.00 -4.26 5.02 2.14 -0.96 -2.63 117.44 120.37 1ttf n TRP 22 Ca -0.19 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.20 1ttf n TRP 22 Cb 0.56 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.93 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 1.11 1.52 -0.09 -0.67 -1.08 -1.26 -4.81 116.67 111.39 1ttf s ASP 23 Ca 0.00 -0.49 0.02 0.00 -0.52 0.00 0.00 52.55 51.56 1ttf s ASP 23 Cb 0.00 -0.07 0.01 0.00 -1.46 0.00 0.00 42.92 41.40 1ttf s ASP 23 CO 0.00 -0.02 -0.14 0.00 0.52 0.00 0.00 175.17 175.53 1ttf s ALA 24 N -0.98 1.52 1.25 3.66 0.00 -1.26 -4.75 121.76 121.21 1ttf s ALA 24 Ca -0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 1ttf s ALA 24 Cb -0.08 -0.74 0.32 0.00 0.00 0.00 0.00 23.12 22.61 1ttf s ALA 24 CO 0.01 -0.02 0.99 -2.14 0.00 0.00 0.00 175.76 174.60 1ttf s PRO 25 N 0.91 -1.63 -0.11 0.00 0.02 -1.26 -4.97 135.00 127.96 1ttf s PRO 25 Ca -0.09 0.65 0.20 0.00 0.02 0.00 0.00 61.00 61.78 1ttf s PRO 25 Cb -0.15 -1.48 -0.30 0.00 0.02 0.00 0.00 34.50 32.59 1ttf s PRO 25 CO 0.00 -4.15 0.29 0.00 -0.33 0.00 0.00 177.00 172.82 1ttf n ALA 26 N -5.19 2.22 -0.56 -1.55 0.00 -1.26 -4.90 120.51 109.26 1ttf n ALA 26 Ca 0.05 -0.88 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 1ttf n ALA 26 Cb 0.56 -0.49 0.23 0.00 0.00 0.00 0.00 19.45 19.75 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 -3.04 2.02 -0.81 0.00 -7.23 -1.26 -4.74 120.40 105.33 1ttf s VAL 27 Ca -0.09 0.01 -0.26 0.00 -1.81 0.00 0.00 61.98 59.83 1ttf s VAL 27 Cb 0.10 -2.02 -0.10 0.00 0.56 0.00 0.00 36.38 34.92 1ttf s VAL 27 CO 0.86 -0.01 2.25 0.42 -0.31 0.00 0.00 175.10 178.32 1ttf s THR 28 N -2.50 3.15 -0.20 5.32 -4.23 -1.26 -4.90 115.64 111.03 1ttf s THR 28 Ca 0.68 -0.12 -0.25 0.00 -1.18 0.00 0.00 61.69 60.83 1ttf s THR 28 Cb -0.25 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1ttf s THR 28 CO 0.63 -0.33 0.81 -0.69 -0.54 0.00 0.00 174.62 174.50 1ttf s VAL 29 N 13.12 4.88 0.13 2.29 1.01 -1.26 -4.71 120.40 135.85 1ttf s VAL 29 Ca 0.85 1.57 -0.23 0.00 0.00 0.00 0.00 61.98 64.16 1ttf s VAL 29 Cb -0.11 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1ttf s VAL 29 CO 0.06 0.00 1.66 0.03 0.00 0.00 0.00 175.10 176.85 1ttf h ARG 30 N 7.46 -0.25 0.00 2.72 2.47 -1.58 -3.44 114.38 121.76 1ttf h ARG 30 Ca -0.27 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1ttf h ARG 30 Cb 1.12 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1ttf h ARG 30 CO 0.84 -0.17 0.00 2.48 0.56 0.00 0.00 179.97 183.68 1ttf n TYR 31 N -5.32 0.00 -4.44 3.04 0.18 -1.07 -4.63 117.16 104.92 1ttf n TYR 31 Ca -0.04 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.50 1ttf n TYR 31 Cb 0.24 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.10 1ttf n TYR 31 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1ttf s TYR 32 N -2.00 2.41 -0.24 -3.48 1.51 0.71 -2.63 117.35 113.64 1ttf s TYR 32 Ca 0.00 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1ttf s TYR 32 Cb 0.00 -1.18 0.08 0.00 -0.11 0.00 0.00 41.96 40.75 1ttf s TYR 32 CO 0.00 0.64 0.10 0.50 -1.11 0.00 0.00 175.55 175.68 1ttf s ARG 33 N -3.59 0.26 -0.50 -0.62 3.52 -1.01 -2.04 118.95 114.98 1ttf s ARG 33 Ca 0.32 -0.42 -0.18 0.00 -0.13 0.00 0.00 55.73 55.32 1ttf s ARG 33 Cb -0.03 -1.59 0.07 0.00 -1.56 0.00 0.00 34.95 31.84 1ttf s ARG 33 CO 0.17 -0.85 0.53 0.42 -0.81 0.00 0.00 175.30 174.76 1ttf s ILE 34 N 2.03 5.03 -0.04 4.11 1.09 -1.02 -2.08 121.20 130.31 1ttf s ILE 34 Ca 0.05 -0.77 -0.02 0.00 -1.10 0.00 0.00 60.65 58.81 1ttf s ILE 34 Cb -0.16 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 36.97 1ttf s ILE 34 CO -0.23 -0.72 0.09 0.42 -0.10 0.00 0.00 174.94 174.40 1ttf s THR 35 N 2.20 4.88 0.18 2.92 -4.23 -0.80 -2.41 115.64 118.37 1ttf s THR 35 Ca 0.10 -0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1ttf s THR 35 Cb -0.22 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1ttf s THR 35 CO 0.09 0.45 0.26 -0.72 -0.54 0.00 0.00 174.62 174.17 1ttf s TYR 36 N -1.11 0.59 0.00 3.99 1.13 -0.71 -1.39 117.35 119.85 1ttf s TYR 36 Ca 0.20 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 1ttf s TYR 36 Cb -0.12 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.58 1ttf s TYR 36 CO 0.10 -0.73 0.00 0.41 -2.51 0.00 0.00 175.55 172.82 1ttf n GLY 37 N -0.24 2.86 3.01 5.49 0.00 -0.97 -2.80 105.19 112.53 1ttf n GLY 37 Ca -0.04 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 1ttf n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ttf n GLU 38 N -1.00 -2.07 0.20 1.61 1.02 -1.26 -2.26 120.64 116.88 1ttf n GLU 38 Ca 0.00 -0.61 0.08 0.00 -0.02 0.00 0.00 57.16 56.60 1ttf n GLU 38 Cb 0.00 -1.45 0.32 0.00 -0.02 0.00 0.00 31.44 30.29 1ttf n GLU 38 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1ttf h THR 39 N -2.58 0.65 0.00 2.62 2.02 -1.92 -3.40 112.91 110.30 1ttf h THR 39 Ca -0.25 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.48 1ttf h THR 39 Cb 0.77 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1ttf h THR 39 CO 0.16 0.30 0.00 0.61 0.37 0.00 0.00 175.52 176.96 1ttf n GLY 40 N 0.48 -1.04 0.00 2.16 0.00 -1.26 -5.06 105.19 100.47 1ttf n GLY 40 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.10 0.29 -0.02 0.00 -1.26 -4.86 105.19 98.24 1ttf n GLY 41 Ca 0.00 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.61 1ttf n GLY 41 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ttf h ASN 42 N 0.00 0.00 -4.19 1.61 4.21 -2.02 -3.45 115.58 111.74 1ttf h ASN 42 Ca 0.00 0.00 0.23 0.00 1.21 0.00 0.00 56.30 57.74 1ttf h ASN 42 Cb 0.00 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 37.01 1ttf h ASN 42 CO 0.00 0.03 0.77 -0.55 -1.29 0.00 0.00 177.43 176.39 1ttf s SER 43 N -6.15 -0.17 0.78 5.81 0.15 -1.26 -5.16 113.70 107.71 1ttf s SER 43 Ca -0.04 0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.50 1ttf s SER 43 Cb 0.15 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.69 1ttf s SER 43 CO 0.56 -0.27 1.17 -2.16 1.20 0.00 0.00 173.24 173.74 1ttf s PRO 44 N -2.31 1.89 0.00 5.44 0.04 -1.26 -4.79 135.00 134.01 1ttf s PRO 44 Ca 0.08 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ttf s PRO 44 Cb -0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1ttf s PRO 44 CO -0.05 -2.00 0.10 0.28 0.04 0.00 0.00 177.00 175.37 1ttf n VAL 45 N -3.19 0.00 -3.69 -0.36 0.31 -1.19 -5.02 118.33 105.19 1ttf n VAL 45 Ca 0.12 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 1ttf n VAL 45 Cb 0.51 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1ttf n VAL 45 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ttf n GLN 46 N -0.92 0.00 -3.95 5.55 7.27 -1.12 -5.05 117.38 119.15 1ttf n GLN 46 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1ttf n GLN 46 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 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 -1.72 1.71 -0.28 3.69 -1.05 -1.26 -1.73 118.70 118.06 1ttf s GLU 47 Ca 0.00 -1.24 -0.17 0.00 -0.15 0.00 0.00 54.97 53.41 1ttf s GLU 47 Cb 0.00 0.52 0.08 0.00 -0.44 0.00 0.00 34.13 34.29 1ttf s GLU 47 CO 0.00 -0.74 0.68 -0.59 0.95 0.00 0.00 175.26 175.56 1ttf s PHE 48 N -3.75 -1.03 0.38 4.83 -0.12 -1.01 -5.00 117.98 112.28 1ttf s PHE 48 Ca 0.19 2.10 0.02 0.00 -0.05 0.00 0.00 56.93 59.19 1ttf s PHE 48 Cb -0.02 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1ttf s PHE 48 CO 0.10 -0.51 0.57 -0.08 -0.05 0.00 0.00 175.22 175.24 1ttf s THR 49 N 1.53 4.38 -0.14 -4.49 -1.32 -1.26 -2.45 115.64 111.89 1ttf s THR 49 Ca -0.09 -0.65 -0.14 0.00 -1.21 0.00 0.00 61.69 59.60 1ttf s THR 49 Cb -0.05 -3.59 0.04 0.00 -1.51 0.00 0.00 72.50 67.39 1ttf s THR 49 CO -0.18 -0.34 0.39 0.54 -2.21 0.00 0.00 174.62 172.81 1ttf s VAL 50 N -2.36 0.00 -1.16 5.08 0.11 -0.87 -4.95 120.40 116.26 1ttf s VAL 50 Ca 0.44 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1ttf s VAL 50 Cb -0.10 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1ttf s VAL 50 CO 0.35 -0.01 0.00 -2.65 -3.33 0.00 0.00 175.10 169.46 1ttf n PRO 51 N 2.81 0.00 -0.79 1.54 -0.01 -1.26 -0.21 135.00 137.08 1ttf n PRO 51 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.36 1ttf n PRO 51 Cb 0.57 -0.95 0.00 0.00 -0.01 0.00 0.00 33.50 33.11 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 0.08 0.19 0.19 -1.23 0.00 -1.26 -4.62 105.19 98.55 1ttf n GLY 52 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.75 1.61 0.02 -1.93 -3.43 113.55 107.06 1ttf h SER 53 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1ttf h SER 53 Cb 0.33 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 1ttf h SER 53 CO 0.00 0.36 -0.50 -0.54 -1.14 0.00 0.00 176.83 175.00 1ttf s LYS 54 N -3.85 3.36 -0.08 3.45 -0.14 -1.26 -4.99 119.74 116.23 1ttf s LYS 54 Ca -0.01 -0.18 0.18 0.00 -1.36 0.00 0.00 55.97 54.60 1ttf s LYS 54 Cb 0.12 -3.12 -0.24 0.00 -1.68 0.00 0.00 37.83 32.91 1ttf s LYS 54 CO 0.69 0.77 0.40 0.43 -0.76 0.00 0.00 175.35 176.87 1ttf n SER 55 N 1.99 0.27 -4.39 2.83 7.64 -1.26 -4.85 113.62 115.86 1ttf n SER 55 Ca -0.20 0.12 -0.21 0.00 1.01 0.00 0.00 58.87 59.59 1ttf n SER 55 Cb 0.55 0.97 -0.10 0.00 -1.01 0.00 0.00 64.21 64.62 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 -2.86 2.01 0.11 0.44 -4.23 -1.26 -2.28 115.64 107.57 1ttf s THR 56 Ca -0.07 -2.24 -0.25 0.00 -1.18 0.00 0.00 61.69 57.95 1ttf s THR 56 Cb 0.09 -2.11 0.08 0.00 1.34 0.00 0.00 72.50 71.90 1ttf s THR 56 CO 0.84 -0.48 0.77 0.00 -0.54 0.00 0.00 174.62 175.21 1ttf s ALA 57 N -2.66 -1.65 -0.13 3.99 0.00 -1.10 -5.04 121.76 115.18 1ttf s ALA 57 Ca 0.24 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 1ttf s ALA 57 Cb -0.03 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 1ttf s ALA 57 CO 0.10 -0.81 -0.02 0.99 0.00 0.00 0.00 175.76 176.02 1ttf s THR 58 N -3.47 4.09 -0.03 0.00 2.01 -1.26 -2.35 115.64 114.63 1ttf s THR 58 Ca 0.05 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1ttf s THR 58 Cb -0.02 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1ttf s THR 58 CO -0.07 0.53 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.71 1ttf s ILE 59 N -0.13 1.40 -0.16 1.82 2.07 0.21 -4.98 121.20 121.43 1ttf s ILE 59 Ca 0.04 -0.73 -0.04 0.00 -1.41 0.00 0.00 60.65 58.51 1ttf s ILE 59 Cb -0.13 -1.19 0.06 0.00 0.13 0.00 0.00 42.46 41.33 1ttf s ILE 59 CO 0.02 0.40 0.07 -0.55 -1.91 0.00 0.00 174.94 172.97 1ttf s SER 60 N -0.14 2.39 0.00 4.50 0.15 -1.26 -0.22 113.70 119.12 1ttf s SER 60 Ca 0.00 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1ttf s SER 60 Cb -0.10 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1ttf s SER 60 CO 0.01 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1ttf n GLY 61 N 5.20 0.00 0.00 9.45 0.00 -1.26 -5.02 105.19 113.56 1ttf n GLY 61 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.88 0.99 -0.00 -1.26 -5.08 117.00 107.77 1ttf n LEU 62 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1ttf n LEU 62 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1ttf n LEU 62 CO 0.00 0.00 -0.04 -0.54 -0.00 0.00 0.00 177.39 176.81 1ttf s LYS 63 N 1.43 0.99 0.69 1.47 1.02 -1.26 -4.99 119.74 119.09 1ttf s LYS 63 Ca 0.00 -1.02 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 1ttf s LYS 63 Cb 0.00 0.37 0.01 0.00 -0.52 0.00 0.00 37.83 37.69 1ttf s LYS 63 CO 0.00 -0.34 1.06 -1.25 -0.92 0.00 0.00 175.35 173.90 1ttf s PRO 64 N -3.90 2.93 -0.61 -1.68 0.04 -1.26 -4.37 135.00 126.15 1ttf s PRO 64 Ca 0.10 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.12 1ttf s PRO 64 Cb 0.04 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1ttf s PRO 64 CO -0.07 -1.11 0.44 0.41 0.04 0.00 0.00 177.00 176.72 1ttf n GLY 65 N -1.89 -0.96 3.56 0.56 0.00 -1.22 -4.96 105.19 100.29 1ttf n GLY 65 Ca 0.08 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.73 0.00 0.20 1.61 0.11 -0.79 -5.01 120.40 113.79 1ttf s VAL 66 Ca 0.00 -0.01 -0.32 0.00 -2.93 0.00 0.00 61.98 58.72 1ttf s VAL 66 Cb -0.00 -0.96 -0.11 0.00 -1.53 0.00 0.00 36.38 33.78 1ttf s VAL 66 CO 0.66 -0.01 1.65 -1.81 -3.33 0.00 0.00 175.10 172.26 1ttf s ASP 67 N -0.19 6.46 -0.03 3.54 1.01 -1.26 -2.31 116.67 123.90 1ttf s ASP 67 Ca -0.04 2.78 -0.02 0.00 0.71 0.00 0.00 52.55 55.98 1ttf s ASP 67 Cb -0.03 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1ttf s ASP 67 CO 0.04 -0.91 0.06 -0.31 0.21 0.00 0.00 175.17 174.26 1ttf s TYR 68 N 1.04 -0.06 -0.06 4.23 1.51 -0.93 -4.31 117.35 118.77 1ttf s TYR 68 Ca 0.72 0.18 0.06 0.00 -1.01 0.00 0.00 57.07 57.01 1ttf s TYR 68 Cb -0.47 -0.01 -0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1ttf s TYR 68 CO 0.33 -0.05 -0.24 0.99 -1.11 0.00 0.00 175.55 175.48 1ttf s THR 69 N 0.21 1.96 0.14 -0.71 2.01 -0.96 -2.04 115.64 116.25 1ttf s THR 69 Ca -0.01 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.04 1ttf s THR 69 Cb -0.02 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1ttf s THR 69 CO -0.01 0.55 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.81 1ttf s ILE 70 N -0.08 1.49 0.09 1.82 -1.16 -1.06 -2.30 121.20 120.00 1ttf s ILE 70 Ca -0.05 -1.79 -0.10 0.00 -0.51 0.00 0.00 60.65 58.20 1ttf s ILE 70 Cb -0.14 -1.64 0.00 0.00 0.61 0.00 0.00 42.46 41.30 1ttf s ILE 70 CO 0.04 -0.39 0.22 -0.89 -2.81 0.00 0.00 174.94 171.12 1ttf s THR 71 N -2.12 0.13 -0.02 4.00 2.01 -0.49 -2.04 115.64 117.11 1ttf s THR 71 Ca 0.11 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 1ttf s THR 71 Cb -0.05 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.24 1ttf s THR 71 CO 0.04 -0.58 0.03 0.68 -0.69 0.00 0.00 174.62 174.11 1ttf s VAL 72 N -3.64 -0.04 -0.26 3.82 -7.23 -0.98 -1.91 120.40 110.15 1ttf s VAL 72 Ca 0.03 0.23 -0.06 0.00 -1.81 0.00 0.00 61.98 60.37 1ttf s VAL 72 Cb 0.04 -0.10 -0.01 0.00 0.56 0.00 0.00 36.38 36.86 1ttf s VAL 72 CO -0.10 0.10 0.04 -0.31 -0.31 0.00 0.00 175.10 174.52 1ttf s TYR 73 N 1.17 3.07 -0.37 2.82 1.51 -0.89 -2.71 117.35 121.96 1ttf s TYR 73 Ca -0.08 -0.81 -0.19 0.00 -1.01 0.00 0.00 57.07 54.98 1ttf s TYR 73 Cb -0.13 -2.20 0.01 0.00 -0.11 0.00 0.00 41.96 39.53 1ttf s TYR 73 CO -0.03 -0.50 0.58 0.00 -1.11 0.00 0.00 175.55 174.48 1ttf s ALA 74 N 1.52 3.44 -0.30 3.71 0.00 -1.26 -2.39 121.76 126.48 1ttf s ALA 74 Ca 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1ttf s ALA 74 Cb -0.16 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 19.89 1ttf s ALA 74 CO 0.01 -1.39 -0.01 0.08 0.00 0.00 0.00 175.76 174.45 1ttf s VAL 75 N 2.57 2.93 0.00 0.00 1.01 -1.08 -4.52 120.40 121.31 1ttf s VAL 75 Ca 0.21 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1ttf s VAL 75 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1ttf s VAL 75 CO 0.15 -0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.49 1ttf n THR 76 N 4.61 0.00 0.00 3.92 -2.24 -1.26 -2.40 114.28 116.91 1ttf n THR 76 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ttf n THR 76 Cb 0.43 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 3.50 0.78 3.66 3.38 0.00 -1.26 -3.83 105.19 111.41 1ttf n GLY 77 Ca 0.00 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1ttf n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttf s ARG 78 N -1.48 4.25 3.62 1.61 0.52 -1.26 -4.65 118.95 121.57 1ttf s ARG 78 Ca 0.00 1.49 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 1ttf s ARG 78 Cb 0.00 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.78 1ttf s ARG 78 CO 0.00 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.08 1ttf n GLY 79 N 3.43 0.95 0.00 -3.53 0.00 -1.26 -2.84 105.19 101.94 1ttf n GLY 79 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 6.96 0.00 -4.74 1.61 2.03 -1.26 -5.09 116.55 116.06 1ttf n ASP 80 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1ttf n ASP 80 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ttf s SER 81 N 0.00 7.38 0.32 1.67 0.15 -1.13 -4.99 113.70 117.11 1ttf s SER 81 Ca 0.00 2.05 -0.29 0.00 0.70 0.00 0.00 55.95 58.41 1ttf s SER 81 Cb 0.00 -2.61 -0.11 0.00 -1.71 0.00 0.00 66.02 61.60 1ttf s SER 81 CO 0.00 -0.11 1.48 -2.16 1.20 0.00 0.00 173.24 173.65 1ttf s PRO 82 N -0.66 4.18 0.00 5.44 0.04 -1.26 -3.99 135.00 138.76 1ttf s PRO 82 Ca 0.46 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1ttf s PRO 82 Cb -0.28 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ttf s PRO 82 CO 0.35 -0.48 0.01 0.00 0.04 0.00 0.00 177.00 176.91 1ttf n ALA 83 N 1.31 0.92 -1.39 8.56 0.00 -1.26 -4.87 120.51 123.78 1ttf n ALA 83 Ca 0.04 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 1ttf n ALA 83 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 1ttf n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ttf n SER 84 N -0.44 7.44 -1.35 0.00 2.88 -1.26 -4.43 113.62 116.46 1ttf n SER 84 Ca 0.00 -2.63 -0.10 0.00 -1.33 0.00 0.00 58.87 54.81 1ttf n SER 84 Cb 0.01 -1.56 0.13 0.00 -0.75 0.00 0.00 64.21 62.03 1ttf n SER 84 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ttf n SER 85 N 4.24 3.41 -2.62 -3.46 3.41 -1.26 -4.73 113.62 112.60 1ttf n SER 85 Ca 0.71 -3.82 -0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1ttf n SER 85 Cb 0.27 -0.51 0.06 0.00 -0.26 0.00 0.00 64.21 63.77 1ttf n SER 85 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ttf n LYS 86 N -0.96 1.44 -0.71 4.33 3.00 -1.26 -5.12 118.16 118.89 1ttf n LYS 86 Ca 0.34 -2.88 -0.32 0.00 -0.00 0.00 0.00 58.31 55.46 1ttf n LYS 86 Cb 0.87 -1.02 0.16 0.00 0.00 0.00 0.00 35.03 35.03 1ttf n LYS 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ttf n PRO 87 N -0.64 -0.53 -3.70 1.64 -0.04 -1.26 -4.84 135.00 125.63 1ttf n PRO 87 Ca 0.01 -0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.27 1ttf n PRO 87 Cb 0.85 -2.16 -0.11 0.00 -0.04 0.00 0.00 33.50 32.04 1ttf n PRO 87 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ttf s ILE 88 N -2.53 -0.02 0.08 0.52 2.07 -1.10 -5.05 121.20 115.17 1ttf s ILE 88 Ca 0.63 0.08 0.09 0.00 -1.41 0.00 0.00 60.65 60.04 1ttf s ILE 88 Cb -0.22 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 1ttf s ILE 88 CO 0.62 0.03 -0.24 -0.94 -1.91 0.00 0.00 174.94 172.51 1ttf s SER 89 N 1.26 3.45 -0.04 4.50 1.04 -1.26 -2.33 113.70 120.32 1ttf s SER 89 Ca -0.08 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 55.70 1ttf s SER 89 Cb -0.08 -0.37 0.01 0.00 0.10 0.00 0.00 66.02 65.69 1ttf s SER 89 CO -0.11 0.22 0.11 0.27 0.98 0.00 0.00 173.24 174.71 1ttf s ILE 90 N -0.96 -0.00 0.17 -1.02 -4.36 -0.86 -5.03 121.20 109.14 1ttf s ILE 90 Ca 0.14 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.54 1ttf s ILE 90 Cb -0.10 -0.17 -0.04 0.00 1.25 0.00 0.00 42.46 43.40 1ttf s ILE 90 CO 0.05 0.00 0.34 0.54 0.24 0.00 0.00 174.94 176.11 1ttf s ASN 91 N 0.08 6.37 -0.28 4.36 4.22 -1.26 -2.57 114.94 125.86 1ttf s ASN 91 Ca -0.00 0.30 -0.24 0.00 -2.14 0.00 0.00 52.86 50.78 1ttf s ASN 91 Cb -0.01 -1.97 0.13 0.00 1.28 0.00 0.00 41.25 40.69 1ttf s ASN 91 CO 0.00 0.01 1.08 -0.47 -2.04 0.00 0.00 177.10 175.69 1ttf s TYR 92 N -1.79 -0.42 -0.35 1.54 5.04 -0.86 -4.99 117.35 115.51 1ttf s TYR 92 Ca 0.37 1.02 -0.22 0.00 -2.44 0.00 0.00 57.07 55.79 1ttf s TYR 92 Cb -0.11 0.38 0.01 0.00 0.35 0.00 0.00 41.96 42.58 1ttf s TYR 92 CO 0.29 -0.20 0.74 -0.98 -1.34 0.00 0.00 175.55 174.06 1ttf s ARG 93 N 0.28 3.78 0.00 4.97 1.70 -1.26 -2.18 118.95 126.24 1ttf s ARG 93 Ca 0.03 0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 1ttf s ARG 93 Cb -0.05 -3.79 0.00 0.00 -0.57 0.00 0.00 34.95 30.54 1ttf s ARG 93 CO -0.08 -0.78 0.47 0.25 -1.08 0.00 0.00 175.30 174.09