#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tuw s TYR 3 N 0.00 3.51 -0.05 0.00 5.04 -1.13 -4.99 117.35 119.73 1tuw s TYR 3 Ca 0.00 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 1tuw s TYR 3 Cb 0.00 -2.91 0.02 0.00 0.35 0.00 0.00 41.96 39.42 1tuw s TYR 3 CO 0.00 -0.07 -0.03 1.03 -1.34 0.00 0.00 175.55 175.14 1tuw s ARG 4 N 1.43 0.73 0.05 4.97 0.52 -1.26 -0.91 118.95 124.47 1tuw s ARG 4 Ca 0.38 -0.04 0.04 0.00 -0.52 0.00 0.00 55.73 55.59 1tuw s ARG 4 Cb -0.17 -0.83 -0.02 0.00 0.52 0.00 0.00 34.95 34.45 1tuw s ARG 4 CO 0.16 -0.13 -0.12 0.00 0.02 0.00 0.00 175.30 175.23 1tuw s ALA 5 N 1.14 1.01 -0.11 2.13 0.00 -0.30 -4.98 121.76 120.64 1tuw s ALA 5 Ca -0.08 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1tuw s ALA 5 Cb -0.14 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1tuw s ALA 5 CO -0.01 0.14 -0.07 -1.17 0.00 0.00 0.00 175.76 174.64 1tuw s LEU 6 N -1.44 1.17 -0.03 0.00 2.96 -1.26 -0.87 118.68 119.21 1tuw s LEU 6 Ca -0.02 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1tuw s LEU 6 Cb -0.09 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1tuw s LEU 6 CO 0.01 -0.12 -0.02 -0.04 -1.32 0.00 0.00 176.35 174.86 1tuw s MET 7 N 1.70 2.77 -0.08 1.98 -1.94 -0.09 -1.06 119.30 122.59 1tuw s MET 7 Ca 0.05 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 1tuw s MET 7 Cb -0.13 -2.65 0.01 0.00 2.01 0.00 0.00 34.83 34.08 1tuw s MET 7 CO -0.08 0.64 -0.14 0.08 -0.01 0.00 0.00 175.02 175.51 1tuw s VAL 8 N -0.99 1.29 0.31 -6.03 1.01 -0.21 -1.08 120.40 114.69 1tuw s VAL 8 Ca 0.17 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1tuw s VAL 8 Cb -0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1tuw s VAL 8 CO 0.07 0.39 0.23 -0.76 0.00 0.00 0.00 175.10 175.03 1tuw s LEU 9 N 0.68 1.66 -0.08 3.92 1.02 -0.21 -4.35 118.68 121.32 1tuw s LEU 9 Ca -0.14 -1.67 -0.06 0.00 0.02 0.00 0.00 54.13 52.28 1tuw s LEU 9 Cb -0.16 0.45 -0.04 0.00 0.02 0.00 0.00 46.19 46.46 1tuw s LEU 9 CO 0.04 -1.00 0.16 -0.13 0.02 0.00 0.00 176.35 175.43 1tuw s ARG 10 N -3.62 3.45 -0.07 1.70 0.52 0.28 0.86 118.95 122.06 1tuw s ARG 10 Ca 0.39 -0.19 -0.14 0.00 -0.52 0.00 0.00 55.73 55.27 1tuw s ARG 10 Cb 0.03 -3.16 0.03 0.00 0.52 0.00 0.00 34.95 32.38 1tuw s ARG 10 CO 0.23 0.74 0.33 1.41 0.02 0.00 0.00 175.30 178.03 1tuw s MET 11 N -1.35 0.55 -0.11 3.54 1.75 -0.42 -1.72 119.30 121.53 1tuw s MET 11 Ca 0.19 0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 54.46 1tuw s MET 11 Cb -0.12 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.78 1tuw s MET 11 CO 0.09 -0.12 1.17 0.34 -0.65 0.00 0.00 175.02 175.85 1tuw s ASP 12 N -0.64 7.06 0.38 1.11 3.68 -1.26 -4.27 116.67 122.73 1tuw s ASP 12 Ca -0.07 1.68 0.20 0.00 2.13 0.00 0.00 52.55 56.49 1tuw s ASP 12 Cb -0.04 -2.55 1.18 0.00 -1.45 0.00 0.00 42.92 40.06 1tuw s ASP 12 CO 0.03 -0.62 1.69 -0.65 0.13 0.00 0.00 175.17 175.74 1tuw h PRO 13 N 7.60 0.28 0.00 4.34 0.11 -1.94 0.66 132.00 143.06 1tuw h PRO 13 Ca -0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1tuw h PRO 13 Cb 1.13 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1tuw h PRO 13 CO 0.91 0.19 -0.03 0.00 -0.21 0.00 0.00 178.00 178.86 1tuw h ALA 14 N 1.70 1.08 -0.03 -0.75 0.00 -1.97 -2.56 119.26 116.73 1tuw h ALA 14 Ca 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1tuw h ALA 14 Cb 1.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1tuw h ALA 14 CO -0.45 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 1tuw n ASP 15 N -3.23 0.82 -0.17 0.00 8.00 0.23 -4.32 116.55 117.89 1tuw n ASP 15 Ca -0.02 -1.34 -0.02 0.00 0.71 0.00 0.00 54.79 54.12 1tuw n ASP 15 Cb 0.19 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.35 1tuw n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tuw h ALA 16 N 4.10 0.64 -0.27 2.24 0.00 -1.53 -2.24 119.26 122.20 1tuw h ALA 16 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1tuw h ALA 16 Cb 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1tuw h ALA 16 CO 0.00 -0.24 0.18 1.05 0.00 0.00 0.00 179.25 180.24 1tuw h GLU 17 N 0.33 0.23 -0.08 0.00 4.11 -1.84 0.26 114.58 117.59 1tuw h GLU 17 Ca 0.26 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.62 1tuw h GLU 17 Cb 0.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1tuw h GLU 17 CO -0.28 0.15 -0.17 0.45 0.07 0.00 0.00 179.01 179.23 1tuw h HIS 18 N 0.24 0.32 0.02 2.06 3.86 -1.77 -1.08 115.15 118.80 1tuw h HIS 18 Ca 0.11 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1tuw h HIS 18 Cb 0.15 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 1tuw h HIS 18 CO -0.00 0.78 -0.27 0.28 0.86 0.00 0.00 177.93 179.58 1tuw h VAL 19 N -0.22 0.39 -0.95 2.45 2.07 -0.76 -0.70 116.25 118.53 1tuw h VAL 19 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1tuw h VAL 19 Cb 0.77 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1tuw h VAL 19 CO 0.04 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.24 1tuw h ALA 20 N 0.37 1.51 -0.68 1.67 0.00 -0.50 -2.01 119.26 119.61 1tuw h ALA 20 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1tuw h ALA 20 Cb 0.50 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1tuw h ALA 20 CO -0.22 0.32 0.17 0.00 0.00 0.00 0.00 179.25 179.52 1tuw h ALA 21 N 1.51 1.01 -0.66 0.00 0.00 -0.33 -1.35 119.26 119.44 1tuw h ALA 21 Ca 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1tuw h ALA 21 Cb 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1tuw h ALA 21 CO -0.18 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.14 1tuw h ALA 22 N 1.15 0.83 -0.15 0.00 0.00 -0.41 -2.58 119.26 118.11 1tuw h ALA 22 Ca 0.22 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1tuw h ALA 22 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1tuw h ALA 22 CO 0.00 0.28 -0.70 0.74 0.00 0.00 0.00 179.25 179.57 1tuw h PHE 23 N 0.89 0.84 -0.70 0.00 -1.00 -1.23 -2.45 116.94 113.29 1tuw h PHE 23 Ca 0.24 -0.35 0.15 0.00 2.81 0.00 0.00 57.97 60.82 1tuw h PHE 23 Cb -0.08 -0.14 -0.10 0.00 3.61 0.00 0.00 35.95 39.24 1tuw h PHE 23 CO -0.02 1.14 0.16 0.00 -1.61 0.00 0.00 178.31 177.97 1tuw h ALA 24 N 0.77 0.88 -0.12 2.45 0.00 -1.03 0.91 119.26 123.12 1tuw h ALA 24 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1tuw h ALA 24 Cb 1.29 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1tuw h ALA 24 CO 0.13 -0.33 -0.04 0.93 0.00 0.00 0.00 179.25 179.95 1tuw h GLU 25 N 0.26 0.24 -0.49 0.00 5.08 -1.34 -3.01 114.58 115.31 1tuw h GLU 25 Ca 0.39 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1tuw h GLU 25 Cb 0.64 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1tuw h GLU 25 CO -0.49 0.55 0.14 1.25 -1.00 0.00 0.00 179.01 179.46 1tuw h HIS 26 N -0.09 0.75 0.00 4.33 2.76 -0.88 -1.53 115.15 120.49 1tuw h HIS 26 Ca 0.03 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1tuw h HIS 26 Cb 0.47 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.20 1tuw h HIS 26 CO 0.06 0.62 0.00 -0.25 -1.30 0.00 0.00 177.93 177.06 1tuw n ASP 27 N -4.31 0.00 0.03 3.26 10.43 0.31 -1.98 116.55 124.29 1tuw n ASP 27 Ca 0.04 -0.38 -0.04 0.00 2.57 0.00 0.00 54.79 56.98 1tuw n ASP 27 Cb 0.20 -0.10 -0.10 0.00 1.84 0.00 0.00 41.12 42.95 1tuw n ASP 27 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1tuw h THR 28 N 0.00 0.85 -4.46 -3.53 1.35 -1.15 -3.47 112.91 102.50 1tuw h THR 28 Ca 0.00 -2.50 -0.47 0.00 -0.55 0.00 0.00 66.41 62.89 1tuw h THR 28 Cb 0.06 2.34 0.11 0.00 -1.73 0.00 0.00 68.15 68.94 1tuw h THR 28 CO 0.00 0.48 0.37 0.42 -0.25 0.00 0.00 175.52 176.54 1tuw s THR 29 N -2.77 2.10 -2.39 6.82 -4.23 -0.84 -4.99 115.64 109.34 1tuw s THR 29 Ca -0.02 0.03 0.25 0.00 -1.18 0.00 0.00 61.69 60.77 1tuw s THR 29 Cb 0.08 -2.93 0.53 0.00 1.34 0.00 0.00 72.50 71.53 1tuw s THR 29 CO 0.81 -0.04 1.70 -0.62 -0.54 0.00 0.00 174.62 175.93 1tuw n GLU 30 N -3.48 1.64 -0.34 3.99 1.02 -1.26 -4.25 120.64 117.96 1tuw n GLU 30 Ca 0.07 -0.95 0.16 0.00 -0.02 0.00 0.00 57.16 56.42 1tuw n GLU 30 Cb 0.60 -1.45 0.37 0.00 -0.02 0.00 0.00 31.44 30.95 1tuw n GLU 30 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1tuw h LEU 31 N 2.15 0.70 0.12 -4.62 3.38 -1.94 -1.64 115.31 113.45 1tuw h LEU 31 Ca 0.00 0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 1tuw h LEU 31 Cb 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1tuw h LEU 31 CO 0.00 0.20 -1.23 -0.65 0.09 0.00 0.00 178.44 176.85 1tuw h PRO 32 N 0.65 0.27 0.00 1.13 0.11 -1.84 -3.00 132.00 129.32 1tuw h PRO 32 Ca 0.59 -0.46 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1tuw h PRO 32 Cb 1.07 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1tuw h PRO 32 CO -0.38 1.22 0.00 1.28 -0.21 0.00 0.00 178.00 179.90 1tuw n LEU 33 N -3.54 0.57 -0.04 2.35 4.32 -0.66 -0.98 117.00 119.03 1tuw n LEU 33 Ca -0.08 0.67 -0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1tuw n LEU 33 Cb 1.02 -0.62 -0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1tuw n LEU 33 CO 0.54 -0.61 -0.03 -0.33 -1.22 0.00 0.00 177.39 175.74 1tuw h GLU 34 N 0.00 0.00 -0.03 3.23 4.39 -1.50 -3.29 114.58 117.38 1tuw h GLU 34 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1tuw h GLU 34 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1tuw h GLU 34 CO 0.00 0.00 0.07 0.82 -1.16 0.00 0.00 179.01 178.74 1tuw h ILE 35 N -0.87 0.22 0.00 3.13 1.08 -1.19 -3.45 117.51 116.43 1tuw h ILE 35 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1tuw h ILE 35 Cb 0.04 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1tuw h ILE 35 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1tuw n GLY 36 N -1.21 1.07 3.70 5.37 0.00 -0.15 -4.90 105.19 109.07 1tuw n GLY 36 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1tuw n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tuw s VAL 37 N -2.00 3.38 -0.17 1.61 1.01 -0.78 -4.40 120.40 119.04 1tuw s VAL 37 Ca 0.00 0.88 0.17 0.00 0.00 0.00 0.00 61.98 63.03 1tuw s VAL 37 Cb 0.00 -3.56 -0.24 0.00 0.00 0.00 0.00 36.38 32.57 1tuw s VAL 37 CO 0.00 0.02 0.10 -2.11 0.00 0.00 0.00 175.10 173.11 1tuw n ARG 38 N 4.88 0.87 -3.67 2.72 0.00 -0.32 -4.53 116.66 116.60 1tuw n ARG 38 Ca 0.13 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.85 57.81 1tuw n ARG 38 Cb 0.42 -1.49 -0.08 0.00 -0.00 0.00 0.00 32.46 31.31 1tuw n ARG 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1tuw s ARG 39 N -2.54 0.72 -0.03 2.89 3.52 -1.10 -4.98 118.95 117.43 1tuw s ARG 39 Ca -0.09 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.00 1tuw s ARG 39 Cb 0.06 0.34 0.01 0.00 -1.56 0.00 0.00 34.95 33.81 1tuw s ARG 39 CO 0.78 -0.14 -0.05 0.50 -0.81 0.00 0.00 175.30 175.58 1tuw s ARG 40 N -0.29 0.74 -0.03 5.12 3.52 -1.26 -1.44 118.95 125.31 1tuw s ARG 40 Ca -0.05 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1tuw s ARG 40 Cb -0.03 -0.74 0.03 0.00 -1.56 0.00 0.00 34.95 32.64 1tuw s ARG 40 CO 0.03 -0.01 -0.01 0.08 -0.81 0.00 0.00 175.30 174.58 1tuw s VAL 41 N 0.59 0.27 -0.13 7.11 1.01 -0.44 -5.02 120.40 123.78 1tuw s VAL 41 Ca -0.08 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1tuw s VAL 41 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1tuw s VAL 41 CO 0.00 0.17 -0.06 -0.76 0.00 0.00 0.00 175.10 174.45 1tuw s LEU 42 N 1.04 3.14 0.25 3.92 1.43 -1.26 -0.71 118.68 126.49 1tuw s LEU 42 Ca -0.10 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1tuw s LEU 42 Cb -0.14 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1tuw s LEU 42 CO -0.01 0.22 -0.18 -0.36 0.23 0.00 0.00 176.35 176.24 1tuw s PHE 43 N 0.08 2.06 0.02 0.29 0.40 -0.25 -4.99 117.98 115.58 1tuw s PHE 43 Ca -0.02 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1tuw s PHE 43 Cb -0.14 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 1tuw s PHE 43 CO 0.03 0.57 -0.05 -0.98 0.70 0.00 0.00 175.22 175.49 1tuw s ARG 44 N -3.54 0.40 -0.28 0.44 1.70 -1.26 -1.29 118.95 115.12 1tuw s ARG 44 Ca 0.27 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 1tuw s ARG 44 Cb -0.03 -0.24 0.16 0.00 -0.57 0.00 0.00 34.95 34.27 1tuw s ARG 44 CO 0.12 0.05 0.44 0.12 -1.08 0.00 0.00 175.30 174.95 1tuw s PHE 45 N -0.79 -1.12 0.00 5.89 5.36 -0.74 -5.01 117.98 121.58 1tuw s PHE 45 Ca -0.05 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1tuw s PHE 45 Cb -0.06 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.67 1tuw s PHE 45 CO -0.00 -0.89 0.00 0.72 -1.46 0.00 0.00 175.22 173.59 1tuw n HIS 46 N 5.37 0.00 -1.39 10.12 8.25 -1.26 -1.36 115.22 134.96 1tuw n HIS 46 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1tuw n HIS 46 Cb 0.50 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.72 1tuw n HIS 46 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1tuw n ASP 47 N 5.55 6.00 -4.51 0.41 3.85 -1.26 -4.57 116.55 122.03 1tuw n ASP 47 Ca 0.00 -3.74 -0.33 0.00 -0.71 0.00 0.00 54.79 50.01 1tuw n ASP 47 Cb 0.00 -0.85 -0.13 0.00 -1.35 0.00 0.00 41.12 38.79 1tuw n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1tuw s LEU 48 N -3.63 2.87 -0.06 -2.12 1.43 -0.47 -1.30 118.68 115.41 1tuw s LEU 48 Ca 0.60 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1tuw s LEU 48 Cb 0.48 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1tuw s LEU 48 CO 0.03 0.35 -0.12 -0.47 0.23 0.00 0.00 176.35 176.36 1tuw s TYR 49 N -0.73 2.77 -0.05 0.29 5.04 0.25 -1.78 117.35 123.14 1tuw s TYR 49 Ca 0.11 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 1tuw s TYR 49 Cb -0.11 -1.66 0.03 0.00 0.35 0.00 0.00 41.96 40.56 1tuw s TYR 49 CO 0.01 0.20 -0.01 -1.64 -1.34 0.00 0.00 175.55 172.76 1tuw s MET 50 N -0.68 0.58 -0.28 4.97 -1.94 -0.41 -1.04 119.30 120.50 1tuw s MET 50 Ca 0.10 0.03 -0.03 0.00 -1.71 0.00 0.00 55.69 54.08 1tuw s MET 50 Cb -0.11 -0.77 0.03 0.00 2.01 0.00 0.00 34.83 35.99 1tuw s MET 50 CO 0.01 -0.17 0.00 -1.58 -0.01 0.00 0.00 175.02 173.27 1tuw s HIS 51 N 1.31 3.15 -0.20 -0.03 2.46 -0.24 -1.10 115.29 120.64 1tuw s HIS 51 Ca -0.05 -1.50 -0.14 0.00 0.47 0.00 0.00 55.06 53.84 1tuw s HIS 51 Cb -0.13 -2.13 -0.04 0.00 -0.13 0.00 0.00 32.58 30.14 1tuw s HIS 51 CO -0.02 -0.72 0.30 -1.17 -2.47 0.00 0.00 174.74 170.67 1tuw s LEU 52 N 1.35 4.16 -0.11 8.88 2.96 0.12 -0.91 118.68 135.13 1tuw s LEU 52 Ca -0.01 0.39 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1tuw s LEU 52 Cb -0.18 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1tuw s LEU 52 CO -0.01 0.00 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.19 1tuw s ILE 53 N 1.05 2.40 -0.10 6.68 1.01 -0.05 -1.33 121.20 130.86 1tuw s ILE 53 Ca 0.15 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1tuw s ILE 53 Cb -0.14 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1tuw s ILE 53 CO 0.06 0.55 -0.11 -1.61 0.00 0.00 0.00 174.94 173.82 1tuw s GLU 54 N 0.31 3.06 0.00 2.79 0.41 -0.52 -1.15 118.70 123.59 1tuw s GLU 54 Ca -0.15 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.76 1tuw s GLU 54 Cb -0.17 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.60 1tuw s GLU 54 CO 0.08 0.41 0.00 0.00 -0.49 0.00 0.00 175.26 175.26 1tuw n ALA 55 N 2.95 0.00 0.41 5.21 0.00 -0.09 -1.18 120.51 127.81 1tuw n ALA 55 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1tuw n ALA 55 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1tuw n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tuw n ASP 56 N -1.87 1.36 -3.85 0.00 8.00 -1.26 -2.83 116.55 116.11 1tuw n ASP 56 Ca 0.00 -1.18 -0.08 0.00 0.71 0.00 0.00 54.79 54.24 1tuw n ASP 56 Cb 0.00 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 1tuw n ASP 56 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1tuw s ASP 57 N -1.14 -0.25 -0.59 -2.24 1.01 -1.26 -4.62 116.67 107.58 1tuw s ASP 57 Ca 0.09 -0.62 -0.27 0.00 0.71 0.00 0.00 52.55 52.46 1tuw s ASP 57 Cb 0.08 0.69 -0.02 0.00 1.01 0.00 0.00 42.92 44.68 1tuw s ASP 57 CO 0.20 -1.28 1.84 -0.62 0.21 0.00 0.00 175.17 175.52 1tuw s ASP 58 N -2.92 5.35 0.00 0.27 2.15 -1.26 -4.76 116.67 115.50 1tuw s ASP 58 Ca 0.12 0.41 0.23 0.00 0.43 0.00 0.00 52.55 53.73 1tuw s ASP 58 Cb -0.05 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.36 1tuw s ASP 58 CO 0.06 -2.30 1.31 -0.38 -0.17 0.00 0.00 175.17 173.69 1tuw n ILE 59 N 7.21 0.28 -0.31 4.11 -0.00 -1.26 -4.56 119.36 124.83 1tuw n ILE 59 Ca 0.20 -0.64 0.09 0.00 -0.00 0.00 0.00 62.75 62.40 1tuw n ILE 59 Cb 0.52 1.20 0.31 0.00 -0.00 0.00 0.00 39.64 41.66 1tuw n ILE 59 CO 0.00 0.00 0.00 0.24 -0.00 0.00 0.00 176.55 176.79 1tuw h MET 60 N 4.42 0.82 0.52 0.38 2.86 -1.95 -1.07 114.93 120.91 1tuw h MET 60 Ca 0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1tuw h MET 60 Cb 0.96 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1tuw h MET 60 CO 0.00 0.54 -0.25 0.93 1.06 0.00 0.00 176.91 179.19 1tuw h GLU 61 N 0.85 -0.67 -0.59 1.72 4.39 -1.99 0.60 114.58 118.88 1tuw h GLU 61 Ca 0.46 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.27 1tuw h GLU 61 Cb 0.58 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 1tuw h GLU 61 CO -0.23 -0.45 0.39 0.07 -1.16 0.00 0.00 179.01 177.64 1tuw h ARG 62 N -0.70 0.54 0.06 2.33 0.11 -1.84 0.51 114.38 115.39 1tuw h ARG 62 Ca -0.07 -0.03 0.01 0.00 0.10 0.00 0.00 59.98 59.99 1tuw h ARG 62 Cb 0.54 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 1tuw h ARG 62 CO 0.12 0.36 -0.10 1.25 0.10 0.00 0.00 179.97 181.70 1tuw h LEU 63 N 0.56 -0.27 -1.03 0.08 7.12 -0.43 0.88 115.31 122.21 1tuw h LEU 63 Ca 0.26 0.03 -0.05 0.00 0.13 0.00 0.00 57.88 58.25 1tuw h LEU 63 Cb 0.30 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 1tuw h LEU 63 CO -0.08 -0.15 0.15 1.88 -0.13 0.00 0.00 178.44 180.12 1tuw h TYR 64 N -0.20 0.88 0.63 1.25 0.99 0.25 -3.17 116.97 117.60 1tuw h TYR 64 Ca 0.02 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1tuw h TYR 64 Cb 0.21 -0.26 0.01 0.00 1.00 0.00 0.00 36.73 37.69 1tuw h TYR 64 CO -0.13 0.72 -0.30 1.96 -0.00 0.00 0.00 178.16 180.40 1tuw h GLN 65 N 0.83 -0.81 0.00 4.88 4.20 0.49 -3.13 115.11 121.56 1tuw h GLN 65 Ca 0.18 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1tuw h GLN 65 Cb 0.27 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1tuw h GLN 65 CO -0.00 -0.54 0.00 0.00 -0.67 0.00 0.00 178.83 177.62 1tuw n ALA 66 N -2.47 1.39 0.04 3.87 0.00 0.25 -3.51 120.51 120.09 1tuw n ALA 66 Ca -0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1tuw n ALA 66 Cb 0.35 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 18.84 1tuw n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tuw h ARG 67 N 0.00 0.41 0.00 0.00 2.47 -1.58 -2.32 114.38 113.36 1tuw h ARG 67 Ca 0.00 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1tuw h ARG 67 Cb 0.06 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1tuw h ARG 67 CO 0.00 0.81 0.00 0.66 0.56 0.00 0.00 179.97 182.00 1tuw h SER 68 N 0.33 0.00 -3.30 7.04 4.64 -1.78 -3.44 113.55 117.03 1tuw h SER 68 Ca 0.02 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.81 1tuw h SER 68 Cb 0.97 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1tuw h SER 68 CO 0.08 0.00 0.68 -2.28 -0.87 0.00 0.00 176.83 174.45 1tuw s HIS 69 N -3.26 3.22 0.36 4.77 5.04 -0.87 -4.95 115.29 119.59 1tuw s HIS 69 Ca 0.07 1.14 0.10 0.00 -1.54 0.00 0.00 55.06 54.82 1tuw s HIS 69 Cb 0.10 -3.65 0.67 0.00 0.04 0.00 0.00 32.58 29.74 1tuw s HIS 69 CO 0.55 -2.09 1.82 -1.35 -2.34 0.00 0.00 174.74 171.33 1tuw h PRO 70 N 5.62 0.15 -0.16 2.88 0.11 -1.88 -1.86 132.00 136.86 1tuw h PRO 70 Ca -0.44 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1tuw h PRO 70 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1tuw h PRO 70 CO 0.79 0.44 0.11 1.25 -0.21 0.00 0.00 178.00 180.39 1tuw h LEU 71 N 0.14 0.11 -2.98 2.35 5.85 -1.92 -2.69 115.31 116.16 1tuw h LEU 71 Ca 0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1tuw h LEU 71 Cb 0.60 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1tuw h LEU 71 CO 0.04 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 178.71 1tuw n PHE 72 N -4.51 0.65 0.13 1.25 3.01 -0.85 -4.73 117.46 112.42 1tuw n PHE 72 Ca 0.00 -0.59 -0.13 0.00 1.01 0.00 0.00 57.45 57.74 1tuw n PHE 72 Cb 0.15 -0.10 -0.06 0.00 -0.01 0.00 0.00 39.48 39.46 1tuw n PHE 72 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1tuw h GLN 73 N 2.17 -0.36 -0.08 -1.08 4.20 -1.01 -2.94 115.11 116.02 1tuw h GLN 73 Ca 0.00 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1tuw h GLN 73 Cb 0.94 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1tuw h GLN 73 CO 0.06 -0.24 -0.32 1.49 -0.67 0.00 0.00 178.83 179.16 1tuw h GLU 74 N -0.37 -0.33 -0.55 1.46 4.81 -1.85 1.55 114.58 119.30 1tuw h GLU 74 Ca 0.00 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1tuw h GLU 74 Cb 0.36 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1tuw h GLU 74 CO -0.05 -0.22 0.38 -0.24 -0.73 0.00 0.00 179.01 178.15 1tuw h VAL 75 N -0.34 0.83 -0.20 0.32 3.04 -1.90 1.06 116.25 119.06 1tuw h VAL 75 Ca 0.02 -0.08 -0.15 0.00 -1.01 0.00 0.00 66.70 65.48 1tuw h VAL 75 Cb 0.39 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1tuw h VAL 75 CO -0.25 0.04 -0.47 0.78 -1.01 0.00 0.00 177.57 176.66 1tuw h ASN 76 N 0.22 0.76 -0.17 3.17 2.35 -0.89 0.15 115.58 121.17 1tuw h ASN 76 Ca 0.26 -0.56 -0.10 0.00 -0.55 0.00 0.00 56.30 55.34 1tuw h ASN 76 Cb 0.73 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1tuw h ASN 76 CO -0.05 1.18 -0.29 -0.33 -1.65 0.00 0.00 177.43 176.29 1tuw h GLU 77 N 0.37 0.50 -0.06 0.81 4.39 0.51 -0.26 114.58 120.83 1tuw h GLU 77 Ca -0.00 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.40 1tuw h GLU 77 Cb 1.08 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1tuw h GLU 77 CO 0.10 0.91 -0.13 -0.09 -1.16 0.00 0.00 179.01 178.64 1tuw h ARG 78 N 0.14 -0.11 -0.58 2.33 2.43 0.10 -1.38 114.38 117.31 1tuw h ARG 78 Ca 0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1tuw h ARG 78 Cb 0.88 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 1tuw h ARG 78 CO 0.07 -0.08 0.36 0.28 -1.51 0.00 0.00 179.97 179.09 1tuw h VAL 79 N -0.12 1.08 -0.60 0.20 2.07 -0.73 -2.89 116.25 115.26 1tuw h VAL 79 Ca 0.01 -0.24 0.15 0.00 0.82 0.00 0.00 66.70 67.43 1tuw h VAL 79 Cb 0.15 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1tuw h VAL 79 CO -0.12 0.13 0.42 1.23 0.02 0.00 0.00 177.57 179.25 1tuw h GLY 80 N 0.71 0.25 2.00 2.17 0.00 -0.79 0.23 103.07 107.65 1tuw h GLY 80 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1tuw h GLY 80 CO -0.09 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1tuw n GLN 81 N -4.42 0.18 0.00 4.80 10.64 -0.54 -2.57 117.38 125.48 1tuw n GLN 81 Ca 0.11 0.40 0.09 0.00 -1.83 0.00 0.00 57.00 55.77 1tuw n GLN 81 Cb 0.56 -1.84 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 1tuw n GLN 81 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1tuw n TYR 82 N -2.19 0.00 -4.69 2.61 4.02 0.81 -4.97 117.16 112.76 1tuw n TYR 82 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 1tuw n TYR 82 Cb 0.24 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.44 1tuw n TYR 82 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1tuw s LEU 83 N -2.16 2.83 -0.02 7.72 1.43 -1.06 -4.45 118.68 122.96 1tuw s LEU 83 Ca 0.15 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1tuw s LEU 83 Cb 0.15 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 1tuw s LEU 83 CO 0.45 0.30 -0.20 -0.89 0.23 0.00 0.00 176.35 176.24 1tuw s THR 84 N -0.87 1.61 0.33 5.49 2.01 -0.70 -4.90 115.64 118.60 1tuw s THR 84 Ca 0.14 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 1tuw s THR 84 Cb -0.11 -1.34 -0.12 0.00 0.01 0.00 0.00 72.50 70.95 1tuw s THR 84 CO 0.04 0.45 1.46 -2.65 -0.69 0.00 0.00 174.62 173.23 1tuw n PRO 85 N 2.64 2.47 0.40 4.92 -0.02 -1.26 -0.56 135.00 143.59 1tuw n PRO 85 Ca -0.15 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 1tuw n PRO 85 Cb 0.53 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1tuw n PRO 85 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1tuw h TYR 86 N 3.48 -0.94 -3.36 6.00 3.20 -1.90 -3.43 116.97 120.02 1tuw h TYR 86 Ca -0.48 -0.02 -0.55 0.00 3.14 0.00 0.00 58.73 60.82 1tuw h TYR 86 Cb 1.25 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.80 1tuw h TYR 86 CO 0.54 -0.58 -0.06 0.00 -1.64 0.00 0.00 178.16 176.42 1tuw s ALA 87 N -5.21 3.56 0.57 1.82 0.00 -1.26 -4.98 121.76 116.26 1tuw s ALA 87 Ca -0.15 -0.10 0.29 0.00 0.00 0.00 0.00 51.96 52.00 1tuw s ALA 87 Cb 0.01 -2.55 1.75 0.00 0.00 0.00 0.00 23.12 22.34 1tuw s ALA 87 CO 0.44 0.44 2.23 0.37 0.00 0.00 0.00 175.76 179.24 1tuw h GLN 88 N 3.47 0.00 -0.50 0.00 4.15 -2.03 -2.89 115.11 117.31 1tuw h GLN 88 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1tuw h GLN 88 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1tuw h GLN 88 CO 0.66 0.02 0.00 -0.40 -1.93 0.00 0.00 178.83 177.18 1tuw n ASP 89 N -3.85 2.64 -4.73 -0.69 5.75 -1.26 -4.98 116.55 109.43 1tuw n ASP 89 Ca -0.03 -2.08 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 1tuw n ASP 89 Cb 0.10 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1tuw n ASP 89 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1tuw s TRP 90 N -1.49 3.11 0.00 2.11 -0.00 -1.10 -4.93 118.94 116.65 1tuw s TRP 90 Ca 0.31 0.99 0.00 0.00 -0.00 0.00 0.00 56.10 57.40 1tuw s TRP 90 Cb 0.17 -3.77 0.00 0.00 -0.00 0.00 0.00 33.47 29.87 1tuw s TRP 90 CO 0.19 -2.58 0.00 0.39 -0.00 0.00 0.00 176.95 174.95 1tuw n GLU 91 N 2.90 2.46 -3.74 5.86 1.02 -1.26 -5.10 120.64 122.78 1tuw n GLU 91 Ca 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1tuw n GLU 91 Cb 0.41 -0.94 -0.02 0.00 -0.02 0.00 0.00 31.44 30.87 1tuw n GLU 91 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1tuw s GLU 92 N -1.83 1.59 0.25 3.49 -1.05 -1.26 -5.04 118.70 114.85 1tuw s GLU 92 Ca 0.00 -0.82 -0.10 0.00 -0.15 0.00 0.00 54.97 53.90 1tuw s GLU 92 Cb 0.00 0.58 0.38 0.00 -0.44 0.00 0.00 34.13 34.65 1tuw s GLU 92 CO 0.00 -0.72 1.59 1.25 0.95 0.00 0.00 175.26 178.33 1tuw h LEU 93 N 2.00 -0.72 -1.98 1.83 5.85 -2.00 0.91 115.31 121.20 1tuw h LEU 93 Ca -0.23 0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.88 1tuw h LEU 93 Cb 1.26 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 1tuw h LEU 93 CO 0.27 -0.27 0.47 0.11 -0.34 0.00 0.00 178.44 178.67 1tuw h LYS 94 N 0.01 0.00 0.00 1.25 1.79 -1.99 0.31 116.57 117.93 1tuw h LYS 94 Ca 0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1tuw h LYS 94 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1tuw h LYS 94 CO -0.84 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 177.28 1tuw n ASP 95 N -3.89 0.57 -0.75 0.86 8.00 0.32 -2.58 116.55 119.06 1tuw n ASP 95 Ca 0.09 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.39 1tuw n ASP 95 Cb 0.67 -0.78 0.31 0.00 -0.02 0.00 0.00 41.12 41.30 1tuw n ASP 95 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1tuw n SER 96 N -2.17 2.32 -4.65 -2.24 7.64 0.11 -4.91 113.62 109.73 1tuw n SER 96 Ca 0.01 -1.78 -0.42 0.00 1.01 0.00 0.00 58.87 57.69 1tuw n SER 96 Cb 0.16 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 1tuw n SER 96 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1tuw s LYS 97 N -1.88 4.19 0.89 1.43 2.20 -1.07 -1.05 119.74 124.46 1tuw s LYS 97 Ca 0.34 1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 56.85 1tuw s LYS 97 Cb 0.20 -3.65 0.13 0.00 -1.51 0.00 0.00 37.83 33.00 1tuw s LYS 97 CO 0.31 -0.55 1.11 0.00 -0.36 0.00 0.00 175.35 175.86 1tuw s ALA 98 N 2.92 1.70 -0.07 3.13 0.00 -0.22 -5.01 121.76 124.21 1tuw s ALA 98 Ca 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 1tuw s ALA 98 Cb -0.15 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1tuw s ALA 98 CO 0.07 -2.25 -0.02 -1.21 0.00 0.00 0.00 175.76 172.35 1tuw s GLU 99 N -5.12 2.90 -0.06 0.00 2.02 -1.26 -4.69 118.70 112.50 1tuw s GLU 99 Ca 0.63 -0.46 -0.22 0.00 0.02 0.00 0.00 54.97 54.94 1tuw s GLU 99 Cb -0.16 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1tuw s GLU 99 CO 0.55 0.69 0.65 0.08 0.02 0.00 0.00 175.26 177.25 1tuw s VAL 100 N -0.88 5.04 -0.51 2.63 1.01 -1.26 -4.91 120.40 121.52 1tuw s VAL 100 Ca 0.14 1.35 0.05 0.00 0.00 0.00 0.00 61.98 63.51 1tuw s VAL 100 Cb -0.11 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.35 1tuw s VAL 100 CO 0.03 0.29 0.81 2.22 0.00 0.00 0.00 175.10 178.45 1tuw n PHE 101 N 3.57 0.07 -3.63 5.22 1.16 -1.26 -5.02 117.46 117.57 1tuw n PHE 101 Ca -0.03 -0.18 -0.10 0.00 -1.87 0.00 0.00 57.45 55.27 1tuw n PHE 101 Cb 0.51 -0.01 -0.07 0.00 -1.61 0.00 0.00 39.48 38.30 1tuw n PHE 101 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 1tuw s TYR 102 N -0.61 -0.47 -0.15 2.97 5.04 -1.26 -5.16 117.35 117.71 1tuw s TYR 102 Ca 0.07 1.10 -0.11 0.00 -2.44 0.00 0.00 57.07 55.69 1tuw s TYR 102 Cb 0.04 0.37 0.05 0.00 0.35 0.00 0.00 41.96 42.77 1tuw s TYR 102 CO 0.06 -0.26 0.38 0.45 -1.34 0.00 0.00 175.55 174.85 1tuw s SER 103 N 0.01 -0.43 -0.06 4.32 0.15 -1.26 -5.15 113.70 111.28 1tuw s SER 103 Ca 0.02 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 57.43 1tuw s SER 103 Cb -0.04 0.74 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 1tuw s SER 103 CO -0.05 -0.16 0.15 0.86 1.20 0.00 0.00 173.24 175.25 1tuw s TRP 104 N 0.75 -0.18 -0.08 3.44 -0.00 -1.26 -5.14 118.94 116.48 1tuw s TRP 104 Ca -0.04 0.47 0.03 0.00 -0.00 0.00 0.00 56.10 56.56 1tuw s TRP 104 Cb -0.06 -0.02 0.01 0.00 -0.00 0.00 0.00 33.47 33.40 1tuw s TRP 104 CO -0.05 -0.14 -0.18 0.99 -0.00 0.00 0.00 176.95 177.57 1tuw s THR 105 N 0.78 1.56 0.55 5.86 2.01 -1.26 -5.14 115.64 120.00 1tuw s THR 105 Ca -0.06 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1tuw s THR 105 Cb -0.08 -1.38 -0.07 0.00 0.01 0.00 0.00 72.50 70.99 1tuw s THR 105 CO -0.04 0.45 1.00 0.00 -0.69 0.00 0.00 174.62 175.34 1tuw s ALA 106 N 0.52 3.08 -2.83 7.40 0.00 -1.26 -5.36 121.76 123.30 1tuw s ALA 106 Ca -0.17 0.10 0.25 0.00 0.00 0.00 0.00 51.96 52.15 1tuw s ALA 106 Cb -0.17 -3.11 0.48 0.00 0.00 0.00 0.00 23.12 20.32 1tuw s ALA 106 CO 0.06 -0.37 1.42 -0.35 0.00 0.00 0.00 175.76 176.52