#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 -3.86 0.00 4.52 2.88 -1.26 -4.73 113.62 111.17 1ttf n SER 2 Ca 0.00 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1ttf n SER 2 Cb 0.00 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 61.87 1ttf n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ttf n ASP 3 N -4.08 0.00 -4.70 -3.46 2.03 -1.26 -4.81 116.55 100.27 1ttf n ASP 3 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1ttf n ASP 3 Cb 0.22 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.53 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ttf s VAL 4 N -0.28 5.12 1.25 5.18 1.01 -1.26 -4.71 120.40 126.72 1ttf s VAL 4 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1ttf s VAL 4 Cb 0.00 -3.31 0.31 0.00 0.00 0.00 0.00 36.38 33.38 1ttf s VAL 4 CO 0.00 0.47 1.00 -2.16 0.00 0.00 0.00 175.10 174.40 1ttf s PRO 5 N 0.21 -1.62 0.24 2.72 0.04 -1.26 -4.98 135.00 130.35 1ttf s PRO 5 Ca 0.07 0.58 0.04 0.00 0.04 0.00 0.00 61.00 61.72 1ttf s PRO 5 Cb -0.12 -1.49 -0.02 0.00 0.04 0.00 0.00 34.50 32.92 1ttf s PRO 5 CO -0.00 -4.12 0.23 2.89 0.04 0.00 0.00 177.00 176.04 1ttf n ARG 6 N -5.16 0.34 -3.42 4.56 1.85 -1.26 -5.09 116.66 108.48 1ttf n ARG 6 Ca 0.06 -2.31 -0.39 0.00 -1.00 0.00 0.00 57.85 54.21 1ttf n ARG 6 Cb 0.56 1.96 -0.03 0.00 -1.05 0.00 0.00 32.46 33.89 1ttf n ARG 6 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ttf n ASP 7 N -2.00 4.94 0.00 2.89 8.00 -1.26 -4.69 116.55 124.43 1ttf n ASP 7 Ca 0.04 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1ttf n ASP 7 Cb 0.43 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1ttf n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ttf n LEU 8 N 2.08 0.00 0.00 0.64 4.32 -1.26 -5.08 117.00 117.70 1ttf n LEU 8 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1ttf n LEU 8 Cb 0.37 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 1ttf n LEU 8 CO 0.46 0.00 0.00 -1.84 -1.22 0.00 0.00 177.39 174.79 1ttf n GLU 9 N 0.00 -1.38 -2.97 3.23 0.28 -1.17 -5.08 120.64 113.54 1ttf n GLU 9 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1ttf n GLU 9 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1ttf n GLU 9 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ttf s VAL 10 N -2.83 4.37 -0.58 3.84 1.01 -1.26 -2.46 120.40 122.49 1ttf s VAL 10 Ca 0.00 1.66 0.22 0.00 0.00 0.00 0.00 61.98 63.86 1ttf s VAL 10 Cb 0.00 -4.08 -0.26 0.00 0.00 0.00 0.00 36.38 32.03 1ttf s VAL 10 CO 0.00 0.43 0.74 0.55 0.00 0.00 0.00 175.10 176.82 1ttf n VAL 11 N 1.32 0.01 0.00 2.92 3.14 -1.06 -4.94 118.33 119.72 1ttf n VAL 11 Ca -0.04 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1ttf n VAL 11 Cb 0.49 0.54 0.00 0.00 -1.06 0.00 0.00 33.84 33.81 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ttf n ALA 12 N -1.83 0.00 -3.27 1.55 0.00 -1.23 -5.07 120.51 110.66 1ttf n ALA 12 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1ttf n ALA 12 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.56 0.91 0.00 0.00 -1.26 -2.48 121.76 115.37 1ttf s ALA 13 Ca 0.00 1.20 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1ttf s ALA 13 Cb 0.00 -1.91 0.14 0.00 0.00 0.00 0.00 23.12 21.35 1ttf s ALA 13 CO 0.00 -1.34 1.12 0.95 0.00 0.00 0.00 175.76 176.49 1ttf s THR 14 N 2.67 2.31 -1.58 0.00 -4.23 0.85 -4.79 115.64 110.87 1ttf s THR 14 Ca 0.15 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1ttf s THR 14 Cb -0.15 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1ttf s THR 14 CO -0.19 -0.13 0.63 -0.81 -0.54 0.00 0.00 174.62 173.58 1ttf n PRO 15 N -4.16 0.00 -2.30 3.99 -0.04 -1.26 -2.01 135.00 129.22 1ttf n PRO 15 Ca 0.10 0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1ttf n PRO 15 Cb 0.53 -1.51 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ttf n THR 16 N -1.13 0.31 0.00 0.52 -2.24 -1.26 -4.72 114.28 105.76 1ttf n THR 16 Ca 0.00 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1ttf n THR 16 Cb 0.01 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1ttf n THR 16 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ttf n SER 17 N -0.85 0.00 -4.24 3.42 2.88 -0.85 -4.25 113.62 109.73 1ttf n SER 17 Ca -0.11 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.11 1ttf n SER 17 Cb 0.85 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.15 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 2.13 -0.33 2.46 0.20 -0.77 -0.11 118.68 122.27 1ttf s LEU 18 Ca 0.00 -0.54 -0.02 0.00 0.69 0.00 0.00 54.13 54.26 1ttf s LEU 18 Cb 0.00 -1.42 0.06 0.00 -0.43 0.00 0.00 46.19 44.41 1ttf s LEU 18 CO 0.00 0.17 0.05 -0.22 -0.29 0.00 0.00 176.35 176.07 1ttf s LEU 19 N 0.27 4.26 0.44 -0.68 0.20 -1.03 -2.19 118.68 119.94 1ttf s LEU 19 Ca -0.16 -1.47 0.06 0.00 0.69 0.00 0.00 54.13 53.24 1ttf s LEU 19 Cb -0.17 -1.74 0.01 0.00 -0.43 0.00 0.00 46.19 43.86 1ttf s LEU 19 CO 0.08 -0.33 0.61 0.27 -0.29 0.00 0.00 176.35 176.68 1ttf s ILE 20 N 1.22 3.21 -0.22 6.68 -4.36 -0.93 -2.58 121.20 124.22 1ttf s ILE 20 Ca -0.01 -0.88 -0.13 0.00 -0.26 0.00 0.00 60.65 59.36 1ttf s ILE 20 Cb -0.20 -3.12 0.07 0.00 1.25 0.00 0.00 42.46 40.46 1ttf s ILE 20 CO -0.02 -0.06 0.55 -0.94 0.24 0.00 0.00 174.94 174.71 1ttf s SER 21 N -4.32 -0.71 0.04 4.36 1.04 -1.03 -2.61 113.70 110.47 1ttf s SER 21 Ca 0.53 1.19 0.01 0.00 0.48 0.00 0.00 55.95 58.16 1ttf s SER 21 Cb -0.10 1.07 -0.00 0.00 0.10 0.00 0.00 66.02 67.09 1ttf s SER 21 CO 0.34 -0.21 0.03 -2.67 0.98 0.00 0.00 173.24 171.71 1ttf n TRP 22 N 4.16 -0.08 -4.82 5.02 2.14 -0.90 -3.03 117.44 119.93 1ttf n TRP 22 Ca -0.21 -0.36 -0.33 0.00 2.07 0.00 0.00 57.50 58.67 1ttf n TRP 22 Cb 0.57 0.03 -0.13 0.00 -0.81 0.00 0.00 31.31 30.97 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 -1.30 4.10 -0.16 -0.67 2.15 -1.26 -4.72 116.67 114.80 1ttf s ASP 23 Ca 0.05 -0.22 -0.04 0.00 0.43 0.00 0.00 52.55 52.77 1ttf s ASP 23 Cb 0.00 -1.14 -0.03 0.00 -0.30 0.00 0.00 42.92 41.45 1ttf s ASP 23 CO 0.03 0.29 -0.03 0.00 -0.17 0.00 0.00 175.17 175.29 1ttf s ALA 24 N -0.37 3.05 0.69 3.66 0.00 -1.26 -4.57 121.76 122.96 1ttf s ALA 24 Ca 0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1ttf s ALA 24 Cb -0.12 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1ttf s ALA 24 CO 0.02 0.21 1.00 -2.30 0.00 0.00 0.00 175.76 174.69 1ttf n PRO 25 N 3.52 0.63 -0.02 0.00 -0.02 -1.26 -4.91 135.00 132.94 1ttf n PRO 25 Ca -0.17 0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1ttf n PRO 25 Cb 0.52 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ttf h ALA 26 N -0.06 0.65 -2.20 3.55 0.00 -1.87 -3.45 119.26 115.89 1ttf h ALA 26 Ca -0.48 -0.51 -0.47 0.00 0.00 0.00 0.00 54.91 53.45 1ttf h ALA 26 Cb 1.34 -0.08 0.21 0.00 0.00 0.00 0.00 17.79 19.25 1ttf h ALA 26 CO 0.48 0.69 0.10 0.54 0.00 0.00 0.00 179.25 181.06 1ttf s VAL 27 N -4.04 2.03 0.23 0.00 0.11 -1.26 -4.91 120.40 112.56 1ttf s VAL 27 Ca -0.08 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 1ttf s VAL 27 Cb 0.11 -2.03 -0.09 0.00 -1.53 0.00 0.00 36.38 32.84 1ttf s VAL 27 CO 0.85 -0.01 1.26 0.42 -3.33 0.00 0.00 175.10 174.29 1ttf s THR 28 N -2.53 3.22 -0.02 5.04 -4.23 -1.26 -5.03 115.64 110.83 1ttf s THR 28 Ca 0.68 1.07 0.06 0.00 -1.18 0.00 0.00 61.69 62.32 1ttf s THR 28 Cb -0.24 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 69.90 1ttf s THR 28 CO 0.62 0.20 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.01 1ttf s VAL 29 N -0.35 1.55 0.04 2.29 1.01 -1.26 -4.86 120.40 118.81 1ttf s VAL 29 Ca 0.53 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 1ttf s VAL 29 Cb -0.36 -1.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 1ttf s VAL 29 CO 0.41 0.44 1.30 -0.09 0.00 0.00 0.00 175.10 177.16 1ttf h ARG 30 N 5.76 -0.59 -2.30 2.72 9.65 -1.65 -3.45 114.38 124.52 1ttf h ARG 30 Ca -0.37 0.04 0.16 0.00 -1.10 0.00 0.00 59.98 58.71 1ttf h ARG 30 Cb 1.15 0.13 -0.10 0.00 -1.39 0.00 0.00 29.97 29.76 1ttf h ARG 30 CO 0.48 -0.39 0.49 1.52 2.80 0.00 0.00 179.97 184.87 1ttf s TYR 31 N -4.55 -0.19 0.26 2.20 -0.85 -1.08 -4.70 117.35 108.44 1ttf s TYR 31 Ca -0.10 -0.06 0.11 0.00 -0.52 0.00 0.00 57.07 56.51 1ttf s TYR 31 Cb 0.02 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 1ttf s TYR 31 CO 0.32 -0.73 -0.19 0.71 -1.52 0.00 0.00 175.55 174.14 1ttf s TYR 32 N -3.22 2.17 -0.17 -3.49 1.51 -0.14 -2.60 117.35 111.42 1ttf s TYR 32 Ca 0.10 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1ttf s TYR 32 Cb -0.01 -0.95 0.08 0.00 -0.11 0.00 0.00 41.96 40.96 1ttf s TYR 32 CO -0.01 0.65 0.18 1.03 -1.11 0.00 0.00 175.55 176.28 1ttf s ARG 33 N -3.54 0.13 -0.23 -0.62 0.52 -0.97 -1.87 118.95 112.36 1ttf s ARG 33 Ca 0.28 0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 55.64 1ttf s ARG 33 Cb -0.04 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 1ttf s ARG 33 CO 0.13 -0.57 0.11 0.42 0.02 0.00 0.00 175.30 175.41 1ttf s ILE 34 N 2.28 4.90 -0.06 1.52 1.09 -1.00 -2.26 121.20 127.67 1ttf s ILE 34 Ca 0.05 0.02 0.05 0.00 -1.10 0.00 0.00 60.65 59.67 1ttf s ILE 34 Cb -0.15 -3.27 -0.01 0.00 -1.06 0.00 0.00 42.46 37.98 1ttf s ILE 34 CO -0.10 0.37 -0.23 0.42 -0.10 0.00 0.00 174.94 175.30 1ttf s THR 35 N 1.07 1.90 0.13 2.92 -4.23 -0.91 -1.90 115.64 114.60 1ttf s THR 35 Ca 0.06 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1ttf s THR 35 Cb -0.14 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1ttf s THR 35 CO 0.04 0.53 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.92 1ttf s TYR 36 N 0.00 0.95 0.00 3.99 1.13 -0.88 -1.42 117.35 121.13 1ttf s TYR 36 Ca -0.07 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 54.54 1ttf s TYR 36 Cb -0.14 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.16 1ttf s TYR 36 CO 0.04 -0.29 0.00 0.41 -2.51 0.00 0.00 175.55 173.20 1ttf n GLY 37 N -0.11 3.25 3.10 5.49 0.00 -0.93 -2.64 105.19 113.35 1ttf n GLY 37 Ca -0.09 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.98 -0.35 0.21 1.61 1.02 -1.26 -1.98 120.64 118.91 1ttf n GLU 38 Ca 0.00 -0.09 0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1ttf n GLU 38 Cb 0.00 -1.23 0.35 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.27 0.42 0.00 2.62 2.02 -1.88 -3.40 112.91 111.42 1ttf h THR 39 Ca -0.44 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 1ttf h THR 39 Cb 1.35 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 69.63 1ttf h THR 39 CO 0.26 0.20 -0.09 0.61 0.37 0.00 0.00 175.52 176.88 1ttf n GLY 40 N 0.54 -0.11 0.00 2.16 0.00 -1.26 -5.03 105.19 101.50 1ttf n GLY 40 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.29 -1.65 0.35 -0.02 0.00 -1.26 -4.83 105.19 97.50 1ttf n GLY 41 Ca -0.07 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1ttf n GLY 41 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ttf h ASN 42 N 0.00 0.37 0.00 1.61 -1.24 -2.01 -3.46 115.58 110.85 1ttf h ASN 42 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1ttf h ASN 42 Cb 0.00 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 38.98 1ttf h ASN 42 CO 0.00 0.22 0.00 -0.24 -1.29 0.00 0.00 177.43 176.12 1ttf n SER 43 N -4.47 0.00 -4.64 1.15 2.88 -1.26 -5.15 113.62 102.12 1ttf n SER 43 Ca 0.09 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.32 1ttf n SER 43 Cb 0.36 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.97 1ttf n SER 43 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ttf n PRO 44 N -0.04 -0.33 0.00 -1.46 -0.04 -1.26 -4.63 135.00 127.24 1ttf n PRO 44 Ca 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1ttf n PRO 44 Cb 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 -4.00 0.00 -3.05 0.52 0.31 -1.08 -4.98 118.33 106.06 1ttf n VAL 45 Ca 0.12 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 1ttf n VAL 45 Cb 0.52 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 -1.85 0.00 -3.55 5.55 7.27 -1.11 -5.05 117.38 118.65 1ttf n GLN 46 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 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 -0.32 0.74 -0.02 3.69 -1.05 -1.26 -2.06 118.70 118.41 1ttf s GLU 47 Ca 0.00 0.03 -0.06 0.00 -0.15 0.00 0.00 54.97 54.79 1ttf s GLU 47 Cb 0.00 0.35 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 1ttf s GLU 47 CO 0.00 -0.26 0.14 -0.59 0.95 0.00 0.00 175.26 175.50 1ttf s PHE 48 N -1.70 -0.02 0.55 4.83 -0.71 -0.80 -5.00 117.98 115.13 1ttf s PHE 48 Ca -0.01 0.04 -0.01 0.00 -1.04 0.00 0.00 56.93 55.91 1ttf s PHE 48 Cb -0.01 -0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.81 1ttf s PHE 48 CO -0.00 -0.21 0.80 0.95 -1.34 0.00 0.00 175.22 175.41 1ttf s THR 49 N -0.88 3.06 -0.14 -4.49 -4.23 -1.26 -2.38 115.64 105.32 1ttf s THR 49 Ca -0.10 -0.49 -0.26 0.00 -1.18 0.00 0.00 61.69 59.67 1ttf s THR 49 Cb -0.05 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.68 1ttf s THR 49 CO 0.01 -0.14 0.64 -0.69 -0.54 0.00 0.00 174.62 173.90 1ttf s VAL 50 N -2.80 0.01 -0.15 2.29 1.01 -0.78 -4.97 120.40 114.99 1ttf s VAL 50 Ca 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1ttf s VAL 50 Cb -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1ttf s VAL 50 CO 0.40 -0.02 0.20 -0.81 0.00 0.00 0.00 175.10 174.87 1ttf n PRO 51 N 1.82 0.22 -1.61 2.72 -0.04 -1.26 -0.97 135.00 135.88 1ttf n PRO 51 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1ttf n PRO 51 Cb 0.56 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.81 0.51 0.13 0.55 0.00 -1.26 -4.75 105.19 101.19 1ttf n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1ttf n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ttf n SER 53 N -0.56 1.87 -4.74 1.61 2.88 -1.26 -4.87 113.62 108.54 1ttf n SER 53 Ca -0.10 0.19 -0.40 0.00 -1.33 0.00 0.00 58.87 57.23 1ttf n SER 53 Cb 0.39 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 1ttf n SER 53 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ttf s LYS 54 N -2.56 4.47 0.10 -1.46 1.02 -1.26 -4.94 119.74 115.11 1ttf s LYS 54 Ca -0.21 1.02 0.23 0.00 0.02 0.00 0.00 55.97 57.04 1ttf s LYS 54 Cb 0.07 -3.37 0.16 0.00 -0.52 0.00 0.00 37.83 34.18 1ttf s LYS 54 CO 0.76 0.27 1.15 0.43 -0.92 0.00 0.00 175.35 177.03 1ttf n SER 55 N 2.90 0.67 -4.41 2.83 7.64 -1.26 -4.92 113.62 117.06 1ttf n SER 55 Ca -0.03 0.01 -0.20 0.00 1.01 0.00 0.00 58.87 59.66 1ttf n SER 55 Cb 0.50 0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 64.10 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 -3.21 1.42 -0.13 0.44 -4.23 -1.26 -2.12 115.64 106.54 1ttf s THR 56 Ca 0.04 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1ttf s THR 56 Cb 0.13 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.52 1ttf s THR 56 CO 0.77 -0.25 0.35 0.00 -0.54 0.00 0.00 174.62 174.94 1ttf s ALA 57 N -3.16 -0.86 -0.30 3.99 0.00 -1.07 -5.02 121.76 115.33 1ttf s ALA 57 Ca 0.30 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ttf s ALA 57 Cb 0.05 -0.64 0.07 0.00 0.00 0.00 0.00 23.12 22.60 1ttf s ALA 57 CO 0.12 -0.18 -0.03 0.99 0.00 0.00 0.00 175.76 176.65 1ttf s THR 58 N 0.49 2.46 0.33 0.00 2.01 -1.26 -2.19 115.64 117.48 1ttf s THR 58 Ca -0.03 -1.75 0.08 0.00 0.31 0.00 0.00 61.69 60.30 1ttf s THR 58 Cb -0.04 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1ttf s THR 58 CO -0.03 -0.21 0.16 0.27 -0.69 0.00 0.00 174.62 174.13 1ttf s ILE 59 N 1.10 3.28 0.32 1.82 -4.36 -0.93 -4.98 121.20 117.45 1ttf s ILE 59 Ca -0.03 -1.63 -0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1ttf s ILE 59 Cb -0.20 -3.04 -0.00 0.00 1.25 0.00 0.00 42.46 40.47 1ttf s ILE 59 CO -0.05 -0.21 0.43 -0.55 0.24 0.00 0.00 174.94 174.80 1ttf s SER 60 N -3.86 0.88 0.00 4.36 0.15 -1.26 -1.84 113.70 112.13 1ttf s SER 60 Ca 0.37 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1ttf s SER 60 Cb -0.04 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1ttf s SER 60 CO 0.23 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 174.06 1ttf n GLY 61 N -0.54 0.91 0.00 9.45 0.00 -1.26 -5.02 105.19 108.74 1ttf n GLY 61 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.49 0.99 -0.00 -1.26 -5.13 117.00 108.11 1ttf n LEU 62 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1ttf n LEU 62 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1ttf n LEU 62 CO 0.00 -0.02 -0.12 -0.54 -0.00 0.00 0.00 177.39 176.71 1ttf s LYS 63 N 1.32 0.25 0.82 1.47 1.02 -1.26 -4.78 119.74 118.57 1ttf s LYS 63 Ca 0.00 0.49 -0.13 0.00 0.02 0.00 0.00 55.97 56.36 1ttf s LYS 63 Cb 0.00 -0.60 0.09 0.00 -0.52 0.00 0.00 37.83 36.80 1ttf s LYS 63 CO 0.00 -0.55 1.19 -2.14 -0.92 0.00 0.00 175.35 172.94 1ttf s PRO 64 N 2.44 1.55 0.00 -1.68 0.02 -1.26 -4.46 135.00 131.60 1ttf s PRO 64 Ca 0.07 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1ttf s PRO 64 Cb -0.15 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1ttf s PRO 64 CO -0.13 -2.27 0.00 0.41 -0.33 0.00 0.00 177.00 174.68 1ttf n GLY 65 N 0.39 0.58 3.57 0.52 0.00 -0.11 -5.12 105.19 105.02 1ttf n GLY 65 Ca 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.57 0.00 0.26 1.61 0.11 0.65 -5.03 120.40 116.43 1ttf s VAL 66 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 1ttf s VAL 66 Cb 0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1ttf s VAL 66 CO 0.00 0.00 1.62 -1.81 -3.33 0.00 0.00 175.10 171.58 1ttf s ASP 67 N -1.70 6.40 -0.01 3.54 1.11 -1.26 -2.56 116.67 122.19 1ttf s ASP 67 Ca 0.03 2.89 0.03 0.00 0.18 0.00 0.00 52.55 55.68 1ttf s ASP 67 Cb -0.01 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 1ttf s ASP 67 CO -0.04 -0.91 -0.09 -0.31 1.18 0.00 0.00 175.17 175.00 1ttf s TYR 68 N 0.39 0.82 -0.04 4.23 2.02 -0.84 -4.02 117.35 119.90 1ttf s TYR 68 Ca 0.67 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 57.27 1ttf s TYR 68 Cb -0.48 -0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1ttf s TYR 68 CO 0.42 -0.02 -0.22 0.99 -1.57 0.00 0.00 175.55 175.15 1ttf s THR 69 N -0.18 1.79 0.16 -0.71 2.01 -0.84 -1.18 115.64 116.69 1ttf s THR 69 Ca 0.03 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1ttf s THR 69 Cb -0.04 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1ttf s THR 69 CO -0.00 0.50 -0.08 0.27 -0.69 0.00 0.00 174.62 174.62 1ttf s ILE 70 N -0.22 1.08 -0.03 1.82 -4.36 -1.09 -2.20 121.20 116.20 1ttf s ILE 70 Ca 0.00 -2.04 -0.09 0.00 -0.26 0.00 0.00 60.65 58.25 1ttf s ILE 70 Cb -0.12 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.69 1ttf s ILE 70 CO 0.02 -0.69 0.21 -0.89 0.24 0.00 0.00 174.94 173.83 1ttf s THR 71 N -3.38 0.05 -0.03 8.37 2.01 -0.51 -2.59 115.64 119.56 1ttf s THR 71 Ca 0.18 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1ttf s THR 71 Cb 0.03 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1ttf s THR 71 CO 0.01 -0.23 -0.09 0.68 -0.69 0.00 0.00 174.62 174.31 1ttf s VAL 72 N -0.90 0.75 -0.10 3.82 -7.23 -1.09 -2.15 120.40 113.49 1ttf s VAL 72 Ca -0.10 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1ttf s VAL 72 Cb -0.05 -0.67 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1ttf s VAL 72 CO 0.02 0.24 -0.20 -0.31 -0.31 0.00 0.00 175.10 174.54 1ttf s TYR 73 N 0.23 2.65 -0.34 2.82 1.51 -0.96 -2.90 117.35 120.35 1ttf s TYR 73 Ca -0.04 -0.82 0.03 0.00 -1.01 0.00 0.00 57.07 55.23 1ttf s TYR 73 Cb -0.09 -1.74 0.10 0.00 -0.11 0.00 0.00 41.96 40.12 1ttf s TYR 73 CO 0.00 -0.29 0.05 0.00 -1.11 0.00 0.00 175.55 174.20 1ttf s ALA 74 N 0.24 2.89 -0.20 3.71 0.00 -1.26 -2.30 121.76 124.83 1ttf s ALA 74 Ca -0.13 -2.46 -0.07 0.00 0.00 0.00 0.00 51.96 49.30 1ttf s ALA 74 Cb -0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 1ttf s ALA 74 CO 0.07 -1.65 0.05 0.08 0.00 0.00 0.00 175.76 174.31 1ttf s VAL 75 N 0.94 4.47 0.00 0.00 1.01 -1.07 -4.52 120.40 121.23 1ttf s VAL 75 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1ttf s VAL 75 Cb -0.19 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1ttf s VAL 75 CO -0.07 0.42 0.00 0.35 0.00 0.00 0.00 175.10 175.80 1ttf n THR 76 N 4.02 0.00 0.00 3.92 -2.24 -1.26 -1.90 114.28 116.82 1ttf n THR 76 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1ttf n THR 76 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 3.98 2.51 0.02 3.38 0.00 -1.26 -4.66 105.19 109.15 1ttf n GLY 77 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1ttf n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ttf n ARG 78 N 0.00 0.08 0.00 1.61 0.63 -1.26 -4.89 116.66 112.83 1ttf n ARG 78 Ca 0.00 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1ttf n ARG 78 Cb 0.00 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.35 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ttf n GLY 79 N 1.45 -2.10 2.14 5.14 0.00 -1.26 -5.06 105.19 105.50 1ttf n GLY 79 Ca 0.05 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1ttf n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ttf n ASP 80 N -0.81 -2.52 0.01 1.61 8.00 -1.26 -4.98 116.55 116.60 1ttf n ASP 80 Ca 0.00 0.60 -0.21 0.00 0.71 0.00 0.00 54.79 55.88 1ttf n ASP 80 Cb 0.00 2.49 -0.14 0.00 -0.02 0.00 0.00 41.12 43.45 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1ttf h SER 81 N 0.00 0.38 0.00 -2.24 0.87 -2.01 -3.33 113.55 107.22 1ttf h SER 81 Ca 0.00 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 1ttf h SER 81 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1ttf h SER 81 CO 0.00 1.59 0.00 -0.81 -0.53 0.00 0.00 176.83 177.08 1ttf n PRO 82 N -3.96 0.33 -1.19 2.24 -0.05 -1.26 -4.37 135.00 126.74 1ttf n PRO 82 Ca -0.24 0.00 -0.39 0.00 -0.05 0.00 0.00 63.50 62.82 1ttf n PRO 82 Cb 0.88 -1.32 -0.04 0.00 -0.05 0.00 0.00 33.50 32.98 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1ttf n ALA 83 N -0.82 4.14 -2.68 0.55 0.00 -1.25 -4.66 120.51 115.79 1ttf n ALA 83 Ca 0.05 -3.19 -0.33 0.00 0.00 0.00 0.00 53.44 49.97 1ttf n ALA 83 Cb 0.02 -3.49 -0.09 0.00 0.00 0.00 0.00 19.45 15.89 1ttf n ALA 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ttf s SER 84 N 4.27 5.12 0.49 0.00 1.04 -1.26 -4.84 113.70 118.52 1ttf s SER 84 Ca 0.53 0.02 0.05 0.00 0.48 0.00 0.00 55.95 57.03 1ttf s SER 84 Cb 0.14 -1.35 -0.00 0.00 0.10 0.00 0.00 66.02 64.90 1ttf s SER 84 CO 0.05 0.30 0.26 -0.44 0.98 0.00 0.00 173.24 174.39 1ttf s SER 85 N -1.43 4.51 -0.42 7.02 0.01 -1.26 -4.88 113.70 117.26 1ttf s SER 85 Ca 0.18 -1.23 0.09 0.00 1.31 0.00 0.00 55.95 56.30 1ttf s SER 85 Cb -0.11 0.08 0.28 0.00 0.21 0.00 0.00 66.02 66.47 1ttf s SER 85 CO 0.09 -0.85 0.61 1.17 0.41 0.00 0.00 173.24 174.66 1ttf n LYS 86 N -1.50 1.07 -0.58 12.44 4.81 -1.26 -5.10 118.16 128.05 1ttf n LYS 86 Ca -0.04 -3.48 -0.30 0.00 -0.87 0.00 0.00 58.31 53.62 1ttf n LYS 86 Cb 0.65 -1.48 0.21 0.00 0.02 0.00 0.00 35.03 34.43 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 1.04 -1.88 -3.75 1.64 -0.02 -1.26 -4.92 135.00 125.84 1ttf n PRO 87 Ca 0.23 -0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 61.08 1ttf n PRO 87 Cb 0.54 -2.01 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 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 -2.37 0.08 0.04 4.25 2.07 -1.14 -5.06 121.20 119.08 1ttf s ILE 88 Ca 0.63 -0.68 0.05 0.00 -1.41 0.00 0.00 60.65 59.25 1ttf s ILE 88 Cb -0.20 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.41 1ttf s ILE 88 CO 0.65 -0.38 -0.15 -0.94 -1.91 0.00 0.00 174.94 172.22 1ttf s SER 89 N -2.10 1.78 -0.09 4.50 1.04 -1.26 -2.68 113.70 114.89 1ttf s SER 89 Ca -0.05 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.83 1ttf s SER 89 Cb -0.01 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1ttf s SER 89 CO -0.04 0.05 0.24 0.27 0.98 0.00 0.00 173.24 174.74 1ttf s ILE 90 N -0.86 -0.00 -0.14 -1.02 -4.36 -1.07 -5.05 121.20 108.70 1ttf s ILE 90 Ca 0.02 0.01 -0.11 0.00 -0.26 0.00 0.00 60.65 60.32 1ttf s ILE 90 Cb -0.08 -0.34 -0.05 0.00 1.25 0.00 0.00 42.46 43.24 1ttf s ILE 90 CO 0.01 0.01 0.21 0.21 0.24 0.00 0.00 174.94 175.62 1ttf s ASN 91 N 0.24 6.41 -0.11 4.36 2.47 -1.26 -2.68 114.94 124.37 1ttf s ASN 91 Ca -0.01 0.48 -0.06 0.00 0.42 0.00 0.00 52.86 53.70 1ttf s ASN 91 Cb -0.03 -2.13 0.05 0.00 -1.45 0.00 0.00 41.25 37.69 1ttf s ASN 91 CO -0.01 0.26 0.26 -0.47 -3.72 0.00 0.00 177.10 173.42 1ttf s TYR 92 N -0.28 -0.35 -0.09 0.43 6.14 -0.32 -5.02 117.35 117.85 1ttf s TYR 92 Ca 0.15 0.83 -0.17 0.00 0.64 0.00 0.00 57.07 58.52 1ttf s TYR 92 Cb -0.13 0.06 -0.05 0.00 0.42 0.00 0.00 41.96 42.27 1ttf s TYR 92 CO 0.04 -0.25 0.44 -0.98 0.64 0.00 0.00 175.55 175.44 1ttf s ARG 93 N 1.30 4.24 0.00 4.97 3.03 -1.26 -1.99 118.95 129.24 1ttf s ARG 93 Ca -0.09 0.41 0.08 0.00 2.03 0.00 0.00 55.73 58.16 1ttf s ARG 93 Cb -0.10 -3.39 0.07 0.00 -1.03 0.00 0.00 34.95 30.50 1ttf s ARG 93 CO -0.09 0.29 0.76 0.25 -1.13 0.00 0.00 175.30 175.38