#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 -0.09 -0.46 -1.34 1.04 -1.26 -5.12 113.70 106.47 1ttf s SER 2 Ca 0.00 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.49 1ttf s SER 2 Cb 0.00 0.11 0.18 0.00 0.10 0.00 0.00 66.02 66.41 1ttf s SER 2 CO 0.00 -0.18 0.66 -1.81 0.98 0.00 0.00 173.24 172.89 1ttf s ASP 3 N -2.25 -1.26 -0.39 7.02 1.01 -1.26 -4.94 116.67 114.59 1ttf s ASP 3 Ca 0.11 -1.38 0.02 0.00 0.71 0.00 0.00 52.55 52.00 1ttf s ASP 3 Cb -0.00 1.78 0.12 0.00 1.01 0.00 0.00 42.92 45.83 1ttf s ASP 3 CO -0.04 -0.11 0.17 -0.69 0.21 0.00 0.00 175.17 174.71 1ttf s VAL 4 N 1.27 1.47 0.00 -1.27 1.01 -1.26 -4.53 120.40 117.09 1ttf s VAL 4 Ca 0.24 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.97 1ttf s VAL 4 Cb -0.02 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1ttf s VAL 4 CO -0.06 -0.78 0.00 -0.81 0.00 0.00 0.00 175.10 173.45 1ttf n PRO 5 N 3.99 0.90 -3.58 2.72 -0.04 -1.26 -5.01 135.00 132.71 1ttf n PRO 5 Ca 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1ttf n PRO 5 Cb 0.37 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.82 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1ttf s ARG 6 N 0.00 0.64 -0.04 0.54 1.70 0.15 -4.92 118.95 117.03 1ttf s ARG 6 Ca 0.00 -0.27 -0.03 0.00 -0.47 0.00 0.00 55.73 54.96 1ttf s ARG 6 Cb 0.00 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.64 1ttf s ARG 6 CO 0.00 -0.29 0.15 -0.25 -1.08 0.00 0.00 175.30 173.83 1ttf n ASP 7 N -0.25 0.05 -4.70 -2.89 9.92 -1.26 -2.46 116.55 114.97 1ttf n ASP 7 Ca -0.05 0.04 -0.53 0.00 -0.53 0.00 0.00 54.79 53.72 1ttf n ASP 7 Cb 0.61 -0.06 -0.06 0.00 -0.64 0.00 0.00 41.12 40.96 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ttf n LEU 8 N 0.52 2.83 -3.59 0.64 -0.00 -1.26 -4.71 117.00 111.43 1ttf n LEU 8 Ca 0.04 1.03 -0.04 0.00 -0.00 0.00 0.00 56.01 57.04 1ttf n LEU 8 Cb -0.00 -1.24 -0.02 0.00 -0.00 0.00 0.00 43.42 42.16 1ttf n LEU 8 CO 0.06 -0.28 0.93 -0.70 -0.00 0.00 0.00 177.39 177.40 1ttf s GLU 9 N 3.65 0.48 -0.36 1.96 2.12 -0.99 -5.01 118.70 120.55 1ttf s GLU 9 Ca 0.95 -0.20 -0.20 0.00 0.36 0.00 0.00 54.97 55.88 1ttf s GLU 9 Cb -0.90 0.21 0.00 0.00 0.26 0.00 0.00 34.13 33.70 1ttf s GLU 9 CO 0.59 -0.21 0.61 0.08 -0.54 0.00 0.00 175.26 175.79 1ttf s VAL 10 N -2.62 4.91 -0.12 3.70 1.01 -1.26 -2.63 120.40 123.38 1ttf s VAL 10 Ca 0.09 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 1ttf s VAL 10 Cb -0.00 -4.07 -0.20 0.00 0.00 0.00 0.00 36.38 32.12 1ttf s VAL 10 CO -0.05 -0.32 0.63 0.58 0.00 0.00 0.00 175.10 175.94 1ttf h VAL 11 N 5.68 1.34 -3.67 2.92 2.07 -1.81 -3.48 116.25 119.29 1ttf h VAL 11 Ca -0.27 -1.94 -0.09 0.00 0.82 0.00 0.00 66.70 65.22 1ttf h VAL 11 Cb 1.11 2.50 -0.15 0.00 -1.52 0.00 0.00 31.29 33.23 1ttf h VAL 11 CO 0.83 0.44 -0.34 0.00 0.02 0.00 0.00 177.57 178.52 1ttf s ALA 12 N -2.45 -0.35 -0.24 1.67 0.00 -1.12 -5.02 121.76 114.26 1ttf s ALA 12 Ca -0.14 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1ttf s ALA 12 Cb -0.02 0.44 0.11 0.00 0.00 0.00 0.00 23.12 23.65 1ttf s ALA 12 CO 0.53 -0.48 0.25 0.00 0.00 0.00 0.00 175.76 176.06 1ttf s ALA 13 N -3.43 -0.37 0.17 0.00 0.00 -1.26 -1.48 121.76 115.39 1ttf s ALA 13 Ca 0.02 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1ttf s ALA 13 Cb 0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1ttf s ALA 13 CO -0.09 -1.38 0.17 0.95 0.00 0.00 0.00 175.76 175.41 1ttf s THR 14 N 2.35 4.63 -1.94 0.00 -4.23 0.14 -4.96 115.64 111.63 1ttf s THR 14 Ca 0.08 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1ttf s THR 14 Cb -0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1ttf s THR 14 CO -0.20 -0.12 0.33 -0.81 -0.54 0.00 0.00 174.62 173.28 1ttf n PRO 15 N -0.43 0.00 -0.81 3.99 -0.04 -1.26 -1.70 135.00 134.75 1ttf n PRO 15 Ca -0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ttf n PRO 15 Cb 0.55 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ttf n THR 16 N -0.82 0.00 0.00 0.52 -1.04 -1.26 -5.02 114.28 106.66 1ttf n THR 16 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1ttf n THR 16 Cb 0.00 0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.11 0.00 -3.93 8.00 3.41 -0.69 -4.66 113.62 115.86 1ttf n SER 17 Ca -0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.32 1ttf n SER 17 Cb 0.74 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.31 -0.55 1.04 0.20 0.90 0.28 118.68 121.85 1ttf s LEU 18 Ca 0.00 -0.26 -0.18 0.00 0.69 0.00 0.00 54.13 54.38 1ttf s LEU 18 Cb 0.00 -0.75 0.09 0.00 -0.43 0.00 0.00 46.19 45.10 1ttf s LEU 18 CO 0.00 -0.07 0.63 -0.22 -0.29 0.00 0.00 176.35 176.40 1ttf s LEU 19 N 1.28 5.37 -0.01 -0.68 0.20 -0.55 -2.31 118.68 121.97 1ttf s LEU 19 Ca -0.04 -1.30 0.02 0.00 0.69 0.00 0.00 54.13 53.50 1ttf s LEU 19 Cb -0.14 -2.32 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 1ttf s LEU 19 CO -0.03 -0.97 -0.04 0.27 -0.29 0.00 0.00 176.35 175.28 1ttf s ILE 20 N 2.45 3.85 -0.02 6.68 -5.25 -0.96 -2.17 121.20 125.77 1ttf s ILE 20 Ca 0.11 -0.65 0.07 0.00 -0.99 0.00 0.00 60.65 59.19 1ttf s ILE 20 Cb -0.23 -2.67 -0.02 0.00 2.95 0.00 0.00 42.46 42.49 1ttf s ILE 20 CO 0.08 0.43 -0.24 -0.94 -1.79 0.00 0.00 174.94 172.48 1ttf s SER 21 N -1.34 2.78 0.53 4.36 1.04 -1.08 -2.33 113.70 117.67 1ttf s SER 21 Ca 0.17 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1ttf s SER 21 Cb -0.11 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1ttf s SER 21 CO 0.07 0.28 0.03 -1.66 0.98 0.00 0.00 173.24 172.94 1ttf s TRP 22 N -0.49 1.72 0.22 5.02 -2.14 -1.12 -2.35 118.94 119.81 1ttf s TRP 22 Ca 0.07 -1.00 0.01 0.00 2.66 0.00 0.00 56.10 57.84 1ttf s TRP 22 Cb -0.10 -1.60 -0.05 0.00 -3.10 0.00 0.00 33.47 28.62 1ttf s TRP 22 CO -0.00 0.13 0.08 0.34 -2.66 0.00 0.00 176.95 174.84 1ttf s ASP 23 N -3.94 0.97 -0.09 -2.66 2.15 -1.03 0.34 116.67 112.43 1ttf s ASP 23 Ca 0.02 -1.33 -0.31 0.00 0.43 0.00 0.00 52.55 51.36 1ttf s ASP 23 Cb -0.00 0.20 0.10 0.00 -0.30 0.00 0.00 42.92 42.92 1ttf s ASP 23 CO 0.02 -0.72 1.37 0.00 -0.17 0.00 0.00 175.17 175.67 1ttf s ALA 24 N -3.82 -2.76 0.93 3.66 0.00 -1.26 -4.86 121.76 113.65 1ttf s ALA 24 Ca 0.35 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 1ttf s ALA 24 Cb 0.07 0.92 0.15 0.00 0.00 0.00 0.00 23.12 24.27 1ttf s ALA 24 CO 0.11 -1.18 1.11 -2.14 0.00 0.00 0.00 175.76 173.67 1ttf s PRO 25 N -2.01 0.89 0.00 0.00 0.02 -1.26 -4.75 135.00 127.90 1ttf s PRO 25 Ca 0.31 1.31 0.24 0.00 0.02 0.00 0.00 61.00 62.88 1ttf s PRO 25 Cb 0.00 -1.73 1.03 0.00 0.02 0.00 0.00 34.50 33.83 1ttf s PRO 25 CO -0.03 -2.64 1.71 0.00 -0.33 0.00 0.00 177.00 175.72 1ttf n ALA 26 N -4.22 2.57 -0.85 -1.55 0.00 -1.26 -4.77 120.51 110.43 1ttf n ALA 26 Ca 0.10 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 1ttf n ALA 26 Cb 0.53 -1.20 0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.91 2.41 -0.60 0.00 -7.23 -1.26 -4.63 120.40 107.18 1ttf s VAL 27 Ca 0.35 0.13 -0.27 0.00 -1.81 0.00 0.00 61.98 60.39 1ttf s VAL 27 Cb 0.18 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 1ttf s VAL 27 CO 0.29 -0.18 1.82 -0.89 -0.31 0.00 0.00 175.10 175.83 1ttf s THR 28 N -2.72 3.39 0.12 5.32 2.01 -1.26 -4.62 115.64 117.88 1ttf s THR 28 Ca 0.65 0.24 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 1ttf s THR 28 Cb -0.21 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 1ttf s THR 28 CO 0.58 -0.93 0.64 -0.69 -0.69 0.00 0.00 174.62 173.53 1ttf s VAL 29 N 8.74 4.62 -0.10 3.82 1.01 -1.26 -4.86 120.40 132.37 1ttf s VAL 29 Ca 0.66 1.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.83 1ttf s VAL 29 Cb -0.13 -3.95 -0.28 0.00 0.00 0.00 0.00 36.38 32.02 1ttf s VAL 29 CO 0.21 0.49 0.58 0.03 0.00 0.00 0.00 175.10 176.41 1ttf h ARG 30 N 4.30 0.26 -4.50 2.72 3.08 -1.40 -3.47 114.38 115.37 1ttf h ARG 30 Ca -0.49 -0.45 -0.33 0.00 0.07 0.00 0.00 59.98 58.79 1ttf h ARG 30 Cb 1.21 0.17 -0.12 0.00 0.08 0.00 0.00 29.97 31.31 1ttf h ARG 30 CO 0.64 1.21 -0.40 0.71 -1.07 0.00 0.00 179.97 181.07 1ttf s TYR 31 N -2.49 1.30 -0.06 3.04 1.51 -1.08 -4.27 117.35 115.31 1ttf s TYR 31 Ca -0.19 -1.41 -0.05 0.00 -1.01 0.00 0.00 57.07 54.41 1ttf s TYR 31 Cb 0.04 -0.42 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 1ttf s TYR 31 CO 0.78 -0.91 0.15 0.71 -1.11 0.00 0.00 175.55 175.17 1ttf s TYR 32 N -3.54 -0.17 -0.22 2.71 1.51 -0.01 -2.55 117.35 115.09 1ttf s TYR 32 Ca 0.36 0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 56.84 1ttf s TYR 32 Cb 0.02 0.02 0.06 0.00 -0.11 0.00 0.00 41.96 41.96 1ttf s TYR 32 CO 0.20 -0.10 -0.02 1.03 -1.11 0.00 0.00 175.55 175.55 1ttf s ARG 33 N 0.38 1.24 -0.36 -0.62 0.52 -1.09 -1.12 118.95 117.91 1ttf s ARG 33 Ca -0.03 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.30 1ttf s ARG 33 Cb -0.04 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.05 1ttf s ARG 33 CO -0.02 -0.61 0.23 0.42 0.02 0.00 0.00 175.30 175.35 1ttf s ILE 34 N 1.58 5.01 -0.09 1.52 1.09 -0.75 -1.96 121.20 127.60 1ttf s ILE 34 Ca -0.04 -0.51 0.02 0.00 -1.10 0.00 0.00 60.65 59.02 1ttf s ILE 34 Cb -0.18 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.52 1ttf s ILE 34 CO -0.07 -0.12 -0.13 0.42 -0.10 0.00 0.00 174.94 174.94 1ttf s THR 35 N 1.66 3.10 0.03 2.92 -4.23 -0.73 -2.41 115.64 115.99 1ttf s THR 35 Ca 0.05 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1ttf s THR 35 Cb -0.18 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1ttf s THR 35 CO 0.09 0.56 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.98 1ttf s TYR 36 N -0.20 0.37 0.00 3.99 1.13 -0.93 -1.92 117.35 119.79 1ttf s TYR 36 Ca 0.01 -0.77 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 1ttf s TYR 36 Cb -0.13 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1ttf s TYR 36 CO 0.03 -0.28 0.00 0.41 -2.51 0.00 0.00 175.55 173.20 1ttf n GLY 37 N 0.93 1.73 3.60 5.49 0.00 -1.07 -2.80 105.19 113.06 1ttf n GLY 37 Ca -0.20 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1ttf n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ttf n GLU 38 N -0.50 0.54 -2.54 1.61 0.00 -1.26 -1.58 120.64 116.91 1ttf n GLU 38 Ca 0.00 0.24 -0.37 0.00 0.00 0.00 0.00 57.16 57.02 1ttf n GLU 38 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 31.44 29.23 1ttf n GLU 38 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1ttf s THR 39 N -1.78 3.69 -1.83 6.31 -1.32 -1.24 -3.54 115.64 115.93 1ttf s THR 39 Ca 0.73 1.37 -0.20 0.00 -1.21 0.00 0.00 61.69 62.38 1ttf s THR 39 Cb -0.36 -3.75 0.20 0.00 -1.51 0.00 0.00 72.50 67.08 1ttf s THR 39 CO 0.51 0.08 0.50 0.61 -2.21 0.00 0.00 174.62 174.10 1ttf n GLY 40 N 0.52 -0.35 3.91 6.08 0.00 -1.26 -4.89 105.19 109.20 1ttf n GLY 40 Ca 0.04 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1ttf n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ttf s GLY 41 N -3.45 2.18 -0.23 -0.02 0.00 -1.23 -4.99 107.32 99.59 1ttf s GLY 41 Ca 0.69 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1ttf s GLY 41 CO 1.02 -0.80 1.75 -2.01 0.00 0.00 0.00 173.10 173.06 1ttf n ASN 42 N 0.39 5.06 0.00 1.64 5.15 -1.26 -4.30 115.26 121.94 1ttf n ASN 42 Ca -0.06 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 1ttf n ASN 42 Cb 0.51 -0.89 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ttf n SER 43 N 0.26 0.00 -4.73 1.20 3.41 -1.26 -5.14 113.62 107.36 1ttf n SER 43 Ca 0.24 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.43 1ttf n SER 43 Cb 0.73 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.67 1ttf n SER 43 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ttf n PRO 44 N 0.00 2.35 0.00 4.33 -0.02 -1.26 -4.81 135.00 135.59 1ttf n PRO 44 Ca 0.00 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1ttf n PRO 44 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ttf n VAL 45 N 0.53 0.00 -2.50 -1.45 0.31 -1.21 -4.99 118.33 109.02 1ttf n VAL 45 Ca 0.04 0.80 0.00 0.00 -0.01 0.00 0.00 64.34 65.16 1ttf n VAL 45 Cb 0.37 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.46 0.00 -3.51 5.55 -0.06 -1.12 -5.05 117.38 112.73 1ttf n GLN 46 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 1ttf n GLN 46 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 1ttf s GLU 47 N 1.10 0.86 0.04 3.69 -1.05 -1.26 -2.19 118.70 119.89 1ttf s GLU 47 Ca 0.00 -0.16 -0.09 0.00 -0.15 0.00 0.00 54.97 54.57 1ttf s GLU 47 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1ttf s GLU 47 CO 0.00 -0.34 0.20 -0.59 0.95 0.00 0.00 175.26 175.47 1ttf s PHE 48 N -2.54 0.05 0.21 4.83 -0.71 -1.01 -5.00 117.98 113.81 1ttf s PHE 48 Ca 0.01 -0.27 0.10 0.00 -1.04 0.00 0.00 56.93 55.73 1ttf s PHE 48 Cb -0.01 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1ttf s PHE 48 CO -0.05 -0.43 -0.11 0.95 -1.34 0.00 0.00 175.22 174.24 1ttf s THR 49 N -2.56 3.02 0.00 -4.49 -4.23 -1.26 -1.80 115.64 104.32 1ttf s THR 49 Ca -0.05 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 58.48 1ttf s THR 49 Cb -0.01 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.33 1ttf s THR 49 CO -0.04 -0.19 0.28 0.68 -0.54 0.00 0.00 174.62 174.81 1ttf s VAL 50 N -1.90 0.07 -1.01 2.29 -7.23 -0.27 -4.99 120.40 107.36 1ttf s VAL 50 Ca 0.26 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 1ttf s VAL 50 Cb -0.08 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.18 1ttf s VAL 50 CO 0.15 -0.32 0.05 -0.81 -0.31 0.00 0.00 175.10 173.86 1ttf n PRO 51 N 1.10 0.10 -1.97 4.82 -0.04 -1.26 -0.83 135.00 136.91 1ttf n PRO 51 Ca -0.21 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.04 1ttf n PRO 51 Cb 0.57 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.44 0.84 0.11 0.55 0.00 -1.26 -4.55 105.19 101.32 1ttf n GLY 52 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.39 -3.38 1.61 0.02 -1.92 -3.46 113.55 106.81 1ttf h SER 53 Ca -0.46 -0.92 -0.55 0.00 -0.84 0.00 0.00 61.79 59.02 1ttf h SER 53 Cb 1.36 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 1ttf h SER 53 CO 0.60 1.41 -0.04 -0.54 -1.14 0.00 0.00 176.83 177.13 1ttf s LYS 54 N -2.42 4.04 0.01 3.45 1.02 -1.26 -4.97 119.74 119.62 1ttf s LYS 54 Ca -0.16 0.58 0.23 0.00 0.02 0.00 0.00 55.97 56.64 1ttf s LYS 54 Cb 0.01 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1ttf s LYS 54 CO 0.80 0.46 1.02 0.43 -0.92 0.00 0.00 175.35 177.13 1ttf n SER 55 N 0.78 0.70 -3.64 2.83 7.64 -1.26 -4.97 113.62 115.70 1ttf n SER 55 Ca -0.05 -0.52 -0.19 0.00 1.01 0.00 0.00 58.87 59.13 1ttf n SER 55 Cb 0.52 0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 64.48 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 -3.10 0.10 -0.16 0.44 -4.23 -1.26 -2.79 115.64 104.64 1ttf s THR 56 Ca 0.06 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.27 1ttf s THR 56 Cb 0.16 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.65 1ttf s THR 56 CO 0.82 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.93 1ttf s ALA 57 N -3.54 -1.95 -0.37 3.99 0.00 -0.98 -5.02 121.76 113.88 1ttf s ALA 57 Ca 0.38 1.56 -0.03 0.00 0.00 0.00 0.00 51.96 53.87 1ttf s ALA 57 Cb 0.03 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.59 1ttf s ALA 57 CO 0.23 -0.36 0.14 0.99 0.00 0.00 0.00 175.76 176.77 1ttf s THR 58 N -1.38 3.34 0.37 0.00 2.01 -1.26 -2.26 115.64 116.45 1ttf s THR 58 Ca 0.01 -1.73 0.08 0.00 0.31 0.00 0.00 61.69 60.36 1ttf s THR 58 Cb -0.01 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1ttf s THR 58 CO -0.01 -0.47 0.21 0.27 -0.69 0.00 0.00 174.62 173.93 1ttf s ILE 59 N 1.22 2.91 0.31 1.82 -4.36 -0.98 -4.88 121.20 117.25 1ttf s ILE 59 Ca 0.03 -1.58 0.04 0.00 -0.26 0.00 0.00 60.65 58.88 1ttf s ILE 59 Cb -0.22 -3.02 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 1ttf s ILE 59 CO -0.02 -0.12 0.33 -0.24 0.24 0.00 0.00 174.94 175.13 1ttf n SER 60 N -1.27 -0.87 -0.71 4.36 2.88 -1.26 -0.07 113.62 116.68 1ttf n SER 60 Ca -0.01 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1ttf n SER 60 Cb 0.62 1.84 0.00 0.00 -0.75 0.00 0.00 64.21 65.91 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ttf n GLY 61 N -0.57 0.90 0.00 0.46 0.00 -1.26 -5.01 105.19 99.71 1ttf n GLY 61 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.71 0.00 -3.73 0.99 -0.00 -1.26 -5.08 117.00 107.22 1ttf n LEU 62 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1ttf n LEU 62 Cb 0.24 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.55 1ttf n LEU 62 CO 0.00 0.00 0.05 -0.54 -0.00 0.00 0.00 177.39 176.90 1ttf s LYS 63 N 1.45 0.43 0.66 1.47 1.02 -1.26 -5.13 119.74 118.37 1ttf s LYS 63 Ca 0.00 0.59 -0.17 0.00 0.02 0.00 0.00 55.97 56.41 1ttf s LYS 63 Cb 0.00 0.15 -0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1ttf s LYS 63 CO 0.00 -0.08 1.22 -1.25 -0.92 0.00 0.00 175.35 174.31 1ttf s PRO 64 N 0.51 2.57 -0.52 -1.68 0.04 -1.26 -4.11 135.00 130.54 1ttf s PRO 64 Ca -0.02 1.81 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1ttf s PRO 64 Cb -0.04 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.66 1ttf s PRO 64 CO -0.03 -1.52 0.65 0.41 0.04 0.00 0.00 177.00 176.55 1ttf n GLY 65 N 0.46 -0.35 3.59 0.56 0.00 -1.24 -5.00 105.19 103.21 1ttf n GLY 65 Ca 0.14 1.06 -0.14 0.00 0.00 0.00 0.00 46.02 47.08 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 -1.95 0.00 -0.25 1.61 0.11 -0.59 -5.03 120.40 114.28 1ttf s VAL 66 Ca 0.29 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.05 1ttf s VAL 66 Cb -0.04 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1ttf s VAL 66 CO 0.86 0.00 1.25 -0.62 -3.33 0.00 0.00 175.10 173.26 1ttf s ASP 67 N -0.31 6.81 -0.12 3.54 2.15 -1.26 -2.38 116.67 125.10 1ttf s ASP 67 Ca -0.03 1.36 0.02 0.00 0.43 0.00 0.00 52.55 54.33 1ttf s ASP 67 Cb -0.03 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1ttf s ASP 67 CO 0.03 -0.94 -0.19 -0.31 -0.17 0.00 0.00 175.17 173.59 1ttf s TYR 68 N 3.97 2.67 -0.27 -5.34 2.02 -0.81 -3.64 117.35 115.95 1ttf s TYR 68 Ca 0.54 -0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 56.22 1ttf s TYR 68 Cb -0.18 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 1ttf s TYR 68 CO 0.19 -0.35 0.22 0.99 -1.57 0.00 0.00 175.55 175.03 1ttf s THR 69 N 0.39 5.29 0.04 -0.71 2.01 -0.61 -2.38 115.64 119.67 1ttf s THR 69 Ca -0.15 0.25 0.05 0.00 0.31 0.00 0.00 61.69 62.14 1ttf s THR 69 Cb -0.17 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ttf s THR 69 CO 0.07 0.25 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.66 1ttf s ILE 70 N 1.72 3.59 -0.10 1.82 2.07 -1.08 -2.61 121.20 126.61 1ttf s ILE 70 Ca 0.09 -0.95 -0.11 0.00 -1.41 0.00 0.00 60.65 58.27 1ttf s ILE 70 Cb -0.16 -2.61 0.03 0.00 0.13 0.00 0.00 42.46 39.85 1ttf s ILE 70 CO 0.10 0.28 0.31 -0.89 -1.91 0.00 0.00 174.94 172.83 1ttf s THR 71 N -1.09 0.01 -0.06 4.00 2.01 -0.81 -1.67 115.64 118.04 1ttf s THR 71 Ca 0.19 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1ttf s THR 71 Cb -0.11 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.94 1ttf s THR 71 CO 0.10 -0.05 -0.14 0.68 -0.69 0.00 0.00 174.62 174.53 1ttf s VAL 72 N -0.08 1.25 -0.23 3.82 -7.23 -1.01 -1.76 120.40 115.16 1ttf s VAL 72 Ca -0.02 -0.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.50 1ttf s VAL 72 Cb -0.03 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1ttf s VAL 72 CO 0.01 0.38 0.08 -0.31 -0.31 0.00 0.00 175.10 174.95 1ttf s TYR 73 N 0.44 3.15 -0.87 2.82 1.51 -0.83 -2.86 117.35 120.72 1ttf s TYR 73 Ca -0.11 -0.19 -0.16 0.00 -1.01 0.00 0.00 57.07 55.60 1ttf s TYR 73 Cb -0.14 -2.21 0.19 0.00 -0.11 0.00 0.00 41.96 39.69 1ttf s TYR 73 CO 0.04 -0.17 0.90 0.00 -1.11 0.00 0.00 175.55 175.20 1ttf s ALA 74 N 1.25 3.84 -0.25 3.71 0.00 -1.26 -2.65 121.76 126.39 1ttf s ALA 74 Ca 0.05 -3.13 -0.29 0.00 0.00 0.00 0.00 51.96 48.59 1ttf s ALA 74 Cb -0.14 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.27 1ttf s ALA 74 CO 0.04 -2.53 1.13 0.08 0.00 0.00 0.00 175.76 174.48 1ttf s VAL 75 N 1.04 4.48 0.00 0.00 1.01 -1.06 -4.68 120.40 121.19 1ttf s VAL 75 Ca 0.23 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1ttf s VAL 75 Cb -0.08 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1ttf s VAL 75 CO -0.09 -0.29 0.00 0.35 0.00 0.00 0.00 175.10 175.07 1ttf n THR 76 N 5.59 0.00 0.00 3.92 -2.24 -1.26 -1.05 114.28 119.24 1ttf n THR 76 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ttf n THR 76 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 3.69 -1.03 0.14 3.38 0.00 -1.26 -4.64 105.19 105.47 1ttf n GLY 77 Ca 0.00 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.16 1ttf n GLY 77 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ttf h ARG 78 N 0.00 0.38 0.00 1.61 -0.00 -2.00 -3.45 114.38 110.92 1ttf h ARG 78 Ca 0.00 -0.65 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 1ttf h ARG 78 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 29.97 30.21 1ttf h ARG 78 CO 0.00 1.30 0.00 0.41 0.00 0.00 0.00 179.97 181.68 1ttf n GLY 79 N 1.84 0.59 0.33 0.04 0.00 -1.26 -5.08 105.19 101.65 1ttf n GLY 79 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.00 -2.59 1.61 9.92 -1.26 -4.98 116.55 119.25 1ttf n ASP 80 Ca 0.00 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.09 1ttf n ASP 80 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ttf n SER 81 N -1.35 2.90 0.00 -2.24 7.64 -1.26 -4.67 113.62 114.64 1ttf n SER 81 Ca 0.00 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.72 1ttf n SER 81 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1ttf n SER 81 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ttf n PRO 82 N -0.24 0.00 -3.96 1.43 -0.04 -1.26 -4.73 135.00 126.19 1ttf n PRO 82 Ca 0.23 0.34 -0.25 0.00 -0.04 0.00 0.00 63.50 63.77 1ttf n PRO 82 Cb 0.75 -1.26 -0.17 0.00 -0.04 0.00 0.00 33.50 32.78 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ttf s ALA 83 N -2.68 1.13 0.61 0.55 0.00 -1.26 -5.12 121.76 114.98 1ttf s ALA 83 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.38 1ttf s ALA 83 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1ttf s ALA 83 CO 0.00 -0.34 0.96 0.45 0.00 0.00 0.00 175.76 176.83 1ttf n SER 84 N 4.81 0.75 0.00 0.00 2.88 -1.26 -4.81 113.62 115.98 1ttf n SER 84 Ca -0.13 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1ttf n SER 84 Cb 0.50 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 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 -0.79 0.00 -2.90 -3.46 3.41 -1.26 -5.00 113.62 103.62 1ttf n SER 85 Ca 0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.66 1ttf n SER 85 Cb 0.47 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1ttf n SER 85 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ttf n LYS 86 N 0.00 0.48 -0.62 4.33 2.85 -1.26 -5.15 118.16 118.79 1ttf n LYS 86 Ca 0.00 -2.28 -0.30 0.00 -1.05 0.00 0.00 58.31 54.68 1ttf n LYS 86 Cb 0.00 -1.51 0.18 0.00 -0.65 0.00 0.00 35.03 33.05 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ttf n PRO 87 N 2.84 -1.91 -3.75 -1.58 -0.02 -1.26 -4.91 135.00 124.41 1ttf n PRO 87 Ca 0.20 -0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.01 1ttf n PRO 87 Cb 0.55 -1.69 -0.14 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.21 -0.04 0.21 4.25 2.07 -1.14 -5.04 121.20 119.31 1ttf s ILE 88 Ca 0.54 0.14 0.11 0.00 -1.41 0.00 0.00 60.65 60.03 1ttf s ILE 88 Cb -0.11 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.14 1ttf s ILE 88 CO 0.61 0.06 -0.23 -0.44 -1.91 0.00 0.00 174.94 173.03 1ttf s SER 89 N 1.02 3.42 -0.15 4.50 0.01 -1.26 -2.40 113.70 118.83 1ttf s SER 89 Ca -0.08 -0.91 -0.11 0.00 1.31 0.00 0.00 55.95 56.16 1ttf s SER 89 Cb -0.09 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 65.93 1ttf s SER 89 CO -0.06 0.09 0.39 0.27 0.41 0.00 0.00 173.24 174.34 1ttf s ILE 90 N -1.91 -0.01 0.01 1.44 -4.36 -0.67 -5.02 121.20 110.68 1ttf s ILE 90 Ca 0.23 0.05 -0.24 0.00 -0.26 0.00 0.00 60.65 60.43 1ttf s ILE 90 Cb -0.07 -0.56 -0.05 0.00 1.25 0.00 0.00 42.46 43.03 1ttf s ILE 90 CO 0.11 0.02 0.71 0.21 0.24 0.00 0.00 174.94 176.23 1ttf s ASN 91 N 0.74 7.11 -0.02 4.36 2.47 -1.26 -2.63 114.94 125.71 1ttf s ASN 91 Ca -0.04 1.32 -0.00 0.00 0.42 0.00 0.00 52.86 54.55 1ttf s ASN 91 Cb -0.05 -2.43 0.02 0.00 -1.45 0.00 0.00 41.25 37.34 1ttf s ASN 91 CO -0.05 0.01 0.04 -0.47 -3.72 0.00 0.00 177.10 172.90 1ttf s TYR 92 N 0.10 -0.00 -0.53 0.43 6.14 -1.00 -5.01 117.35 117.47 1ttf s TYR 92 Ca 0.37 0.15 -0.22 0.00 0.64 0.00 0.00 57.07 58.00 1ttf s TYR 92 Cb -0.19 -0.17 0.05 0.00 0.42 0.00 0.00 41.96 42.07 1ttf s TYR 92 CO 0.20 -0.08 0.83 -0.98 0.64 0.00 0.00 175.55 176.17 1ttf s ARG 93 N 0.85 3.26 0.00 4.97 1.70 -1.26 -1.92 118.95 126.55 1ttf s ARG 93 Ca -0.07 -0.47 0.04 0.00 -0.47 0.00 0.00 55.73 54.76 1ttf s ARG 93 Cb -0.10 -4.06 0.03 0.00 -0.57 0.00 0.00 34.95 30.25 1ttf s ARG 93 CO -0.03 -1.38 0.62 0.25 -1.08 0.00 0.00 175.30 173.68