#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qe5 s PRO 10 N 0.00 4.19 0.38 0.52 0.04 -1.26 -4.89 135.00 133.97 1qe5 s PRO 10 Ca 0.00 2.36 0.08 0.00 0.04 0.00 0.00 61.00 63.48 1qe5 s PRO 10 Cb 0.00 -3.68 0.83 0.00 0.04 0.00 0.00 34.50 31.69 1qe5 s PRO 10 CO 0.00 -0.77 1.95 1.25 0.04 0.00 0.00 177.00 179.47 1qe5 h LEU 11 N 8.88 0.59 -0.01 -3.56 5.85 -1.97 -1.63 115.31 123.45 1qe5 h LEU 11 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1qe5 h LEU 11 Cb 1.20 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1qe5 h LEU 11 CO 0.93 0.36 0.00 -0.90 -0.34 0.00 0.00 178.44 178.49 1qe5 n ASP 12 N -4.49 0.06 -4.62 1.25 5.75 -1.26 -4.68 116.55 108.57 1qe5 n ASP 12 Ca 0.11 0.51 -0.43 0.00 -0.01 0.00 0.00 54.79 54.97 1qe5 n ASP 12 Cb 0.30 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 1qe5 n ASP 12 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qe5 s ASP 13 N -3.11 6.59 0.55 -1.12 -1.08 -0.61 -4.89 116.67 112.99 1qe5 s ASP 13 Ca 0.12 0.99 0.43 0.00 -0.52 0.00 0.00 52.55 53.57 1qe5 s ASP 13 Cb 0.16 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.73 1qe5 s ASP 13 CO 0.47 -1.19 1.69 1.55 0.52 0.00 0.00 175.17 178.22 1qe5 h PRO 14 N 9.59 0.00 0.00 4.34 0.13 -1.87 0.21 132.00 144.41 1qe5 h PRO 14 Ca -0.26 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1qe5 h PRO 14 Cb 1.09 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qe5 h PRO 14 CO 1.06 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.77 1qe5 h ALA 15 N 1.22 0.99 -2.92 -0.56 0.00 -1.92 -3.45 119.26 112.60 1qe5 h ALA 15 Ca 0.75 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 55.07 1qe5 h ALA 15 Cb 3.00 -0.01 0.10 0.00 0.00 0.00 0.00 17.79 20.88 1qe5 h ALA 15 CO -0.01 0.08 0.75 0.99 0.00 0.00 0.00 179.25 181.06 1qe5 s THR 16 N -3.48 2.20 -0.54 0.00 2.01 0.73 -4.97 115.64 111.59 1qe5 s THR 16 Ca 0.03 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.01 1qe5 s THR 16 Cb 0.08 -3.13 0.05 0.00 0.01 0.00 0.00 72.50 69.51 1qe5 s THR 16 CO 0.61 0.05 0.82 -0.62 -0.69 0.00 0.00 174.62 174.78 1qe5 s ASP 17 N -0.19 6.28 0.54 3.53 -1.08 -1.26 -4.93 116.67 119.56 1qe5 s ASP 17 Ca 0.52 -0.62 0.27 0.00 -0.52 0.00 0.00 52.55 52.20 1qe5 s ASP 17 Cb -0.45 -2.38 1.44 0.00 -1.46 0.00 0.00 42.92 40.07 1qe5 s ASP 17 CO 0.60 -1.11 1.97 1.55 0.52 0.00 0.00 175.17 178.71 1qe5 h PRO 18 N 9.20 0.00 0.00 4.34 0.13 -1.93 0.13 132.00 143.87 1qe5 h PRO 18 Ca -0.27 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.76 1qe5 h PRO 18 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1qe5 h PRO 18 CO 1.04 0.00 -0.49 0.74 -0.23 0.00 0.00 178.00 179.07 1qe5 h PHE 19 N 0.00 0.00 -0.09 1.56 0.04 -1.99 -1.15 116.94 115.31 1qe5 h PHE 19 Ca 0.27 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.86 1qe5 h PHE 19 Cb 1.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1qe5 h PHE 19 CO 0.00 0.49 -0.70 1.25 -0.60 0.00 0.00 178.31 178.75 1qe5 h LEU 20 N 0.00 0.50 -0.79 1.54 7.12 -1.40 -1.33 115.31 120.95 1qe5 h LEU 20 Ca -0.00 -0.32 -0.13 0.00 0.13 0.00 0.00 57.88 57.56 1qe5 h LEU 20 Cb 1.11 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.08 1qe5 h LEU 20 CO 0.06 1.05 -0.58 0.58 -0.13 0.00 0.00 178.44 179.42 1qe5 h VAL 21 N 0.29 1.41 0.00 1.05 2.07 -1.14 -1.96 116.25 117.97 1qe5 h VAL 21 Ca -0.02 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 1qe5 h VAL 21 Cb 1.27 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1qe5 h VAL 21 CO 0.12 0.57 -0.00 0.00 0.02 0.00 0.00 177.57 178.28 1qe5 h ALA 22 N 1.35 -0.01 -0.33 1.67 0.00 -0.78 0.53 119.26 121.69 1qe5 h ALA 22 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1qe5 h ALA 22 Cb 1.05 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1qe5 h ALA 22 CO 0.08 -0.40 -0.16 0.00 0.00 0.00 0.00 179.25 178.77 1qe5 h ARG 23 N -0.21 -0.10 -0.05 0.00 2.47 -1.12 0.20 114.38 115.57 1qe5 h ARG 23 Ca -0.00 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1qe5 h ARG 23 Cb 0.20 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1qe5 h ARG 23 CO 0.00 -0.07 -0.16 0.00 0.56 0.00 0.00 179.97 180.30 1qe5 h ALA 24 N 1.15 1.63 -0.19 0.04 0.00 -1.17 -0.02 119.26 120.70 1qe5 h ALA 24 Ca 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1qe5 h ALA 24 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1qe5 h ALA 24 CO -0.40 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.05 1qe5 h ALA 25 N 1.76 0.26 -0.60 0.00 0.00 0.14 -1.94 119.26 118.88 1qe5 h ALA 25 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1qe5 h ALA 25 Cb 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1qe5 h ALA 25 CO 0.02 0.07 0.39 0.00 0.00 0.00 0.00 179.25 179.73 1qe5 h ALA 26 N 0.71 0.76 -0.70 0.00 0.00 0.36 -1.77 119.26 118.60 1qe5 h ALA 26 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qe5 h ALA 26 Cb 0.54 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1qe5 h ALA 26 CO 0.02 0.20 0.46 -0.44 0.00 0.00 0.00 179.25 179.49 1qe5 h ASP 27 N 0.81 0.79 -0.75 0.00 3.32 -0.99 0.16 116.42 119.76 1qe5 h ASP 27 Ca 0.22 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1qe5 h ASP 27 Cb -0.09 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1qe5 h ASP 27 CO -0.05 0.57 0.43 -0.74 -1.72 0.00 0.00 179.24 177.73 1qe5 h HIS 28 N 0.93 1.00 -0.57 4.55 2.76 -0.97 -1.76 115.15 121.09 1qe5 h HIS 28 Ca 0.26 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.33 1qe5 h HIS 28 Cb -0.08 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.53 1qe5 h HIS 28 CO -0.03 0.69 0.00 0.82 -1.30 0.00 0.00 177.93 178.11 1qe5 h ILE 29 N 1.03 1.26 -0.64 6.26 2.04 -0.35 -1.17 117.51 125.95 1qe5 h ILE 29 Ca 0.27 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1qe5 h ILE 29 Cb -0.01 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1qe5 h ILE 29 CO -0.05 0.40 0.40 0.00 0.00 0.00 0.00 178.15 178.91 1qe5 h ALA 30 N 0.97 0.82 0.00 1.87 0.00 -0.20 -1.39 119.26 121.33 1qe5 h ALA 30 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qe5 h ALA 30 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qe5 h ALA 30 CO 0.03 0.17 -0.36 -0.56 0.00 0.00 0.00 179.25 178.53 1qe5 h GLN 31 N 0.80 0.00 0.00 0.00 -0.00 -1.18 0.11 115.11 114.83 1qe5 h GLN 31 Ca 0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.79 1qe5 h GLN 31 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.45 1qe5 h GLN 31 CO -0.09 0.00 -0.87 0.00 -0.00 0.00 0.00 178.83 177.88 1qe5 h ALA 32 N 2.24 0.67 0.00 0.06 0.00 -0.89 -3.34 119.26 118.00 1qe5 h ALA 32 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 1qe5 h ALA 32 Cb 0.88 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1qe5 h ALA 32 CO 0.00 0.63 -2.13 0.25 0.00 0.00 0.00 179.25 178.00 1qe5 n THR 33 N -3.03 0.67 -0.89 0.00 -2.24 -0.55 -4.96 114.28 103.27 1qe5 n THR 33 Ca -0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1qe5 n THR 33 Cb 0.74 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1qe5 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qe5 n GLY 34 N 1.48 0.73 3.53 3.38 0.00 0.02 -4.86 105.19 109.47 1qe5 n GLY 34 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1qe5 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qe5 s VAL 35 N -2.81 5.11 0.40 1.61 1.01 -1.20 -4.98 120.40 119.54 1qe5 s VAL 35 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.01 1qe5 s VAL 35 Cb 0.00 -3.52 0.17 0.00 0.00 0.00 0.00 36.38 33.03 1qe5 s VAL 35 CO 0.00 0.14 1.94 -0.33 0.00 0.00 0.00 175.10 176.85 1qe5 h GLU 36 N 8.40 0.17 -2.43 2.72 5.08 -1.95 -3.39 114.58 123.18 1qe5 h GLU 36 Ca -0.34 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 1qe5 h GLU 36 Cb 1.17 -0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.21 1qe5 h GLU 36 CO 0.59 0.32 0.01 0.20 -1.00 0.00 0.00 179.01 179.13 1qe5 s GLY 37 N -4.09 -0.42 0.23 -3.84 0.00 -1.26 -4.93 107.32 93.01 1qe5 s GLY 37 Ca -0.05 0.91 0.08 0.00 0.00 0.00 0.00 44.72 45.66 1qe5 s GLY 37 CO 0.72 0.60 0.03 0.30 0.00 0.00 0.00 173.10 174.76 1qe5 s HIS 38 N -1.35 2.83 -0.15 1.90 3.76 -0.77 -4.79 115.29 116.72 1qe5 s HIS 38 Ca -0.11 -0.17 0.12 0.00 -0.15 0.00 0.00 55.06 54.75 1qe5 s HIS 38 Cb -0.02 -1.30 -0.18 0.00 1.11 0.00 0.00 32.58 32.19 1qe5 s HIS 38 CO 0.07 0.56 0.02 -0.25 -0.85 0.00 0.00 174.74 174.30 1qe5 n ASP 39 N -0.62 1.48 -4.12 1.40 8.00 0.86 -2.23 116.55 121.32 1qe5 n ASP 39 Ca -0.08 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.32 1qe5 n ASP 39 Cb 0.57 0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 42.29 1qe5 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qe5 s MET 40 N -2.36 0.79 0.02 -1.24 0.23 -1.14 -0.48 119.30 115.12 1qe5 s MET 40 Ca -0.10 -1.34 0.01 0.00 -1.03 0.00 0.00 55.69 53.23 1qe5 s MET 40 Cb 0.05 0.22 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1qe5 s MET 40 CO 0.59 -0.19 -0.05 0.00 -2.03 0.00 0.00 175.02 173.34 1qe5 s ALA 41 N -3.99 0.30 0.02 3.16 0.00 -0.22 -0.84 121.76 120.20 1qe5 s ALA 41 Ca 0.16 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1qe5 s ALA 41 Cb 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1qe5 s ALA 41 CO -0.03 -0.07 -0.18 -0.51 0.00 0.00 0.00 175.76 174.97 1qe5 s LEU 42 N -1.23 2.12 -0.23 0.00 1.02 -0.41 -0.77 118.68 119.19 1qe5 s LEU 42 Ca -0.10 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.61 1qe5 s LEU 42 Cb -0.08 -0.87 0.03 0.00 0.02 0.00 0.00 46.19 45.29 1qe5 s LEU 42 CO -0.00 0.15 -0.11 -0.69 0.02 0.00 0.00 176.35 175.71 1qe5 s VAL 43 N -0.67 2.45 -0.33 -1.59 1.01 -0.67 -1.70 120.40 118.91 1qe5 s VAL 43 Ca 0.06 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 1qe5 s VAL 43 Cb -0.08 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1qe5 s VAL 43 CO 0.01 0.24 0.61 -0.76 0.00 0.00 0.00 175.10 175.20 1qe5 s LEU 44 N 1.26 4.21 0.00 3.92 1.43 -1.26 -1.85 118.68 126.38 1qe5 s LEU 44 Ca -0.01 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1qe5 s LEU 44 Cb -0.16 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1qe5 s LEU 44 CO -0.07 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1qe5 n GLY 45 N 4.57 1.69 3.70 -3.19 0.00 -1.18 -4.79 105.19 105.99 1qe5 n GLY 45 Ca -0.02 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1qe5 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qe5 s SER 46 N -1.00 6.43 0.00 1.61 0.01 -1.26 -0.42 113.70 119.06 1qe5 s SER 46 Ca 0.00 2.77 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1qe5 s SER 46 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1qe5 s SER 46 CO 0.00 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.28 1qe5 n GLY 47 N 4.13 1.96 0.90 3.44 0.00 -1.26 -3.02 105.19 111.35 1qe5 n GLY 47 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1qe5 n GLY 47 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qe5 n TRP 48 N -2.00 0.36 -0.06 1.61 7.02 0.44 -4.70 117.44 120.10 1qe5 n TRP 48 Ca 0.00 -0.23 0.19 0.00 -1.02 0.00 0.00 57.50 56.45 1qe5 n TRP 48 Cb 0.00 -0.00 0.64 0.00 -2.42 0.00 0.00 31.31 29.53 1qe5 n TRP 48 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1qe5 h GLY 49 N 3.58 0.20 -1.80 6.99 0.00 -1.87 -0.39 103.07 109.77 1qe5 h GLY 49 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1qe5 h GLY 49 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1qe5 n GLY 50 N -1.61 0.91 0.00 4.60 0.00 -1.26 -4.51 105.19 103.32 1qe5 n GLY 50 Ca 0.12 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.55 1qe5 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe5 n ALA 51 N 1.24 2.00 0.15 4.61 0.00 -0.16 -2.57 120.51 125.78 1qe5 n ALA 51 Ca 0.14 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1qe5 n ALA 51 Cb 0.58 -1.26 0.18 0.00 0.00 0.00 0.00 19.45 18.94 1qe5 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qe5 n ALA 52 N -1.15 2.36 0.23 0.00 0.00 -1.26 -4.41 120.51 116.29 1qe5 n ALA 52 Ca 0.10 -0.98 0.10 0.00 0.00 0.00 0.00 53.44 52.66 1qe5 n ALA 52 Cb 0.09 -0.66 0.56 0.00 0.00 0.00 0.00 19.45 19.44 1qe5 n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qe5 h GLU 53 N 3.39 0.00 -0.60 0.00 4.39 -1.84 -2.94 114.58 116.98 1qe5 h GLU 53 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qe5 h GLU 53 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1qe5 h GLU 53 CO 0.00 0.21 0.00 1.28 -1.16 0.00 0.00 179.01 179.34 1qe5 n LEU 54 N -3.58 3.99 0.06 1.33 4.77 -1.26 -4.51 117.00 117.80 1qe5 n LEU 54 Ca -0.01 -2.20 -0.06 0.00 -0.03 0.00 0.00 56.01 53.71 1qe5 n LEU 54 Cb 0.35 -0.46 0.11 0.00 -2.33 0.00 0.00 43.42 41.08 1qe5 n LEU 54 CO 0.33 0.86 0.49 0.25 -1.33 0.00 0.00 177.39 177.99 1qe5 h LEU 55 N 3.60 0.37 0.00 2.23 5.85 -1.83 -3.44 115.31 122.08 1qe5 h LEU 55 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1qe5 h LEU 55 Cb 1.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1qe5 h LEU 55 CO 0.08 0.87 0.00 0.61 -0.34 0.00 0.00 178.44 179.66 1qe5 n GLY 56 N 0.23 -0.60 3.66 3.75 0.00 -1.26 -4.63 105.19 106.33 1qe5 n GLY 56 Ca -0.03 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1qe5 n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qe5 s GLU 57 N -1.53 3.87 -0.11 1.61 2.12 -0.94 -4.89 118.70 118.83 1qe5 s GLU 57 Ca 0.00 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1qe5 s GLU 57 Cb 0.00 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 1qe5 s GLU 57 CO 0.00 0.34 1.25 0.08 -0.54 0.00 0.00 175.26 176.39 1qe5 s VAL 58 N 0.17 4.24 -0.13 3.70 1.01 -1.26 -1.31 120.40 126.82 1qe5 s VAL 58 Ca 0.05 1.53 0.18 0.00 0.00 0.00 0.00 61.98 63.74 1qe5 s VAL 58 Cb -0.12 -3.99 -0.21 0.00 0.00 0.00 0.00 36.38 32.07 1qe5 s VAL 58 CO 0.00 -0.07 0.56 0.52 0.00 0.00 0.00 175.10 176.12 1qe5 n VAL 59 N 5.00 0.96 -3.60 2.92 0.31 0.05 -4.97 118.33 118.99 1qe5 n VAL 59 Ca 0.13 -0.69 -0.08 0.00 -0.01 0.00 0.00 64.34 63.69 1qe5 n VAL 59 Cb 0.45 -0.49 -0.05 0.00 -0.91 0.00 0.00 33.84 32.84 1qe5 n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qe5 s ALA 60 N -2.96 -1.99 -0.09 3.52 0.00 -1.19 -4.99 121.76 114.07 1qe5 s ALA 60 Ca -0.06 1.69 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1qe5 s ALA 60 Cb 0.09 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.21 1qe5 s ALA 60 CO 0.84 -0.28 -0.15 -1.21 0.00 0.00 0.00 175.76 174.96 1qe5 s GLU 61 N -0.89 2.07 -0.21 0.00 2.02 -1.26 -1.58 118.70 118.84 1qe5 s GLU 61 Ca 0.01 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.50 1qe5 s GLU 61 Cb -0.01 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 32.54 1qe5 s GLU 61 CO -0.02 -0.00 -0.13 0.08 0.02 0.00 0.00 175.26 175.21 1qe5 s VAL 62 N 0.80 1.88 -0.08 2.63 1.01 0.10 -4.90 120.40 121.83 1qe5 s VAL 62 Ca -0.11 -1.17 -0.36 0.00 0.00 0.00 0.00 61.98 60.34 1qe5 s VAL 62 Cb -0.16 -1.91 -0.14 0.00 0.00 0.00 0.00 36.38 34.18 1qe5 s VAL 62 CO 0.02 0.19 1.73 -0.81 0.00 0.00 0.00 175.10 176.23 1qe5 n PRO 63 N 4.60 1.75 -0.26 2.72 -0.04 -1.26 0.84 135.00 143.34 1qe5 n PRO 63 Ca -0.16 0.64 0.01 0.00 -0.04 0.00 0.00 63.50 63.95 1qe5 n PRO 63 Cb 0.46 -2.40 0.23 0.00 -0.04 0.00 0.00 33.50 31.75 1qe5 n PRO 63 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qe5 h THR 64 N 4.83 1.16 0.00 0.52 2.02 -0.98 -1.90 112.91 118.57 1qe5 h THR 64 Ca -0.47 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1qe5 h THR 64 Cb 1.29 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1qe5 h THR 64 CO 0.92 0.19 0.01 1.12 0.37 0.00 0.00 175.52 178.13 1qe5 h HIS 65 N 1.06 0.00 -0.10 3.16 2.07 -1.88 -0.57 115.15 118.88 1qe5 h HIS 65 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 1qe5 h HIS 65 Cb -0.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.95 1qe5 h HIS 65 CO -0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 1qe5 n GLU 66 N -2.34 1.94 -3.65 5.12 1.02 -0.71 -4.72 120.64 117.30 1qe5 n GLU 66 Ca -0.02 -1.39 -0.37 0.00 -0.02 0.00 0.00 57.16 55.37 1qe5 n GLU 66 Cb 0.04 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1qe5 n GLU 66 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qe5 s ILE 67 N -1.89 5.33 0.20 -3.67 1.01 -0.22 -5.04 121.20 116.92 1qe5 s ILE 67 Ca 0.34 0.45 -0.31 0.00 0.00 0.00 0.00 60.65 61.13 1qe5 s ILE 67 Cb 0.20 -3.56 -0.15 0.00 0.01 0.00 0.00 42.46 38.96 1qe5 s ILE 67 CO 0.31 0.49 1.09 -2.65 0.00 0.00 0.00 174.94 174.17 1qe5 n PRO 68 N 2.84 1.14 0.00 2.79 -0.02 -1.26 -2.14 135.00 138.35 1qe5 n PRO 68 Ca -0.15 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1qe5 n PRO 68 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1qe5 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qe5 n GLY 69 N 1.81 2.77 0.00 -1.23 0.00 -1.26 -4.56 105.19 102.71 1qe5 n GLY 69 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1qe5 n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qe5 n PHE 70 N -2.00 -2.30 0.00 1.61 3.01 -0.91 -4.95 117.46 111.92 1qe5 n PHE 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1qe5 n PHE 70 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1qe5 n PHE 70 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1qe5 n SER 71 N -2.27 0.00 -0.05 4.37 3.41 -1.26 -4.94 113.62 112.88 1qe5 n SER 71 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1qe5 n SER 71 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1qe5 n SER 71 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qe5 n SER 80 N 0.00 3.08 -4.04 4.04 2.88 -1.26 -5.00 113.62 113.32 1qe5 n SER 80 Ca 0.00 -0.04 -0.24 0.00 -1.33 0.00 0.00 58.87 57.26 1qe5 n SER 80 Cb 0.00 0.05 -0.16 0.00 -0.75 0.00 0.00 64.21 63.35 1qe5 n SER 80 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qe5 s VAL 81 N -2.22 1.10 -0.15 2.46 0.11 -1.26 -0.31 120.40 120.14 1qe5 s VAL 81 Ca -0.12 -0.50 -0.11 0.00 -2.93 0.00 0.00 61.98 58.32 1qe5 s VAL 81 Cb 0.03 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1qe5 s VAL 81 CO 0.28 0.34 0.20 -0.89 -3.33 0.00 0.00 175.10 171.69 1qe5 s THR 82 N 0.38 5.38 -0.04 5.04 2.01 0.25 -3.64 115.64 125.02 1qe5 s THR 82 Ca -0.09 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.29 1qe5 s THR 82 Cb -0.13 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1qe5 s THR 82 CO 0.02 0.48 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.16 1qe5 s ARG 83 N -0.07 2.44 -0.25 4.92 0.52 -0.09 0.02 118.95 126.44 1qe5 s ARG 83 Ca 0.13 -0.74 -0.06 0.00 -0.52 0.00 0.00 55.73 54.54 1qe5 s ARG 83 Cb -0.12 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 1qe5 s ARG 83 CO 0.02 0.61 0.04 0.45 0.02 0.00 0.00 175.30 176.45 1qe5 s SER 84 N -0.85 4.93 -0.07 0.23 0.15 -0.61 0.84 113.70 118.31 1qe5 s SER 84 Ca 0.12 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.50 1qe5 s SER 84 Cb -0.11 -1.87 -0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1qe5 s SER 84 CO 0.01 -0.05 -0.21 -0.63 1.20 0.00 0.00 173.24 173.56 1qe5 s ILE 85 N 1.57 1.80 -0.25 6.45 1.01 0.83 -0.77 121.20 131.84 1qe5 s ILE 85 Ca 0.06 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 1qe5 s ILE 85 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1qe5 s ILE 85 CO 0.02 0.50 0.39 -0.60 0.00 0.00 0.00 174.94 175.25 1qe5 s ARG 86 N 0.16 4.08 -0.18 2.79 3.52 -0.43 0.88 118.95 129.77 1qe5 s ARG 86 Ca -0.10 0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.57 1qe5 s ARG 86 Cb -0.15 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 1qe5 s ARG 86 CO 0.05 -0.20 -0.02 0.08 -0.81 0.00 0.00 175.30 174.41 1qe5 s VAL 87 N 1.82 3.90 -0.22 7.11 1.01 0.24 -2.21 120.40 132.05 1qe5 s VAL 87 Ca 0.17 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 1qe5 s VAL 87 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1qe5 s VAL 87 CO 0.09 0.45 0.61 -0.70 0.00 0.00 0.00 175.10 175.55 1qe5 s GLU 88 N 0.76 4.17 0.41 2.72 2.12 -1.26 -0.38 118.70 127.24 1qe5 s GLU 88 Ca -0.01 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 55.87 1qe5 s GLU 88 Cb -0.14 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 1qe5 s GLU 88 CO 0.02 -0.29 0.64 1.03 -0.54 0.00 0.00 175.26 176.12 1qe5 s ARG 89 N 2.09 3.34 0.37 4.30 0.52 -0.44 -4.85 118.95 124.28 1qe5 s ARG 89 Ca 0.27 -0.28 0.15 0.00 -0.52 0.00 0.00 55.73 55.34 1qe5 s ARG 89 Cb -0.16 -2.57 1.01 0.00 0.52 0.00 0.00 34.95 33.76 1qe5 s ARG 89 CO 0.10 -0.07 1.77 0.00 0.02 0.00 0.00 175.30 177.12 1qe5 h ALA 90 N 0.52 2.07 -0.39 2.13 0.00 -1.86 0.13 119.26 121.86 1qe5 h ALA 90 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qe5 h ALA 90 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qe5 h ALA 90 CO 0.60 -0.47 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 1qe5 n ASP 91 N -4.68 2.08 0.00 0.00 5.68 -1.26 -4.90 116.55 113.47 1qe5 n ASP 91 Ca 0.25 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1qe5 n ASP 91 Cb 0.79 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1qe5 n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qe5 n GLY 92 N 1.11 1.98 3.86 6.12 0.00 0.45 -5.04 105.19 113.69 1qe5 n GLY 92 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1qe5 n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qe5 s SER 93 N -2.78 4.94 0.25 1.61 1.04 -1.26 -4.78 113.70 112.71 1qe5 s SER 93 Ca 0.00 1.09 0.10 0.00 0.48 0.00 0.00 55.95 57.63 1qe5 s SER 93 Cb 0.00 -1.81 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 1qe5 s SER 93 CO 0.00 -1.66 -0.17 0.68 0.98 0.00 0.00 173.24 173.07 1qe5 s VAL 94 N -3.35 2.15 0.04 5.02 -7.23 -1.26 -1.33 120.40 114.43 1qe5 s VAL 94 Ca 0.60 -2.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1qe5 s VAL 94 Cb -0.12 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1qe5 s VAL 94 CO 0.52 -0.46 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.59 1qe5 s ARG 95 N -3.58 0.89 -0.25 4.82 1.81 0.49 -4.96 118.95 118.17 1qe5 s ARG 95 Ca 0.27 -0.72 -0.08 0.00 -1.72 0.00 0.00 55.73 53.48 1qe5 s ARG 95 Cb -0.03 -0.88 -0.03 0.00 -0.45 0.00 0.00 34.95 33.56 1qe5 s ARG 95 CO 0.12 0.22 0.10 -1.01 -0.68 0.00 0.00 175.30 174.04 1qe5 s HIS 96 N -0.84 3.12 -0.21 -0.53 3.76 -1.26 0.80 115.29 120.14 1qe5 s HIS 96 Ca 0.01 -0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1qe5 s HIS 96 Cb -0.08 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.32 1qe5 s HIS 96 CO 0.01 -0.29 0.04 0.00 -0.85 0.00 0.00 174.74 173.65 1qe5 s ALA 97 N 1.59 3.20 -0.38 -1.40 0.00 0.26 -0.10 121.76 124.94 1qe5 s ALA 97 Ca 0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 1qe5 s ALA 97 Cb -0.15 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.07 1qe5 s ALA 97 CO 0.05 -0.11 0.70 -1.17 0.00 0.00 0.00 175.76 175.24 1qe5 s LEU 98 N 0.92 4.23 -0.32 0.00 0.20 -0.02 -0.12 118.68 123.58 1qe5 s LEU 98 Ca 0.03 0.15 -0.12 0.00 0.69 0.00 0.00 54.13 54.89 1qe5 s LEU 98 Cb -0.14 -2.89 -0.02 0.00 -0.43 0.00 0.00 46.19 42.71 1qe5 s LEU 98 CO 0.02 -0.69 0.20 -0.69 -0.29 0.00 0.00 176.35 174.91 1qe5 s VAL 99 N 2.92 5.09 0.25 1.68 1.01 0.25 -1.29 120.40 130.30 1qe5 s VAL 99 Ca 0.27 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1qe5 s VAL 99 Cb -0.14 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1qe5 s VAL 99 CO 0.17 0.07 1.19 -0.76 0.00 0.00 0.00 175.10 175.76 1qe5 s LEU 100 N 1.70 4.48 0.01 3.92 1.02 -0.69 -0.92 118.68 128.21 1qe5 s LEU 100 Ca 0.06 2.34 -0.25 0.00 0.02 0.00 0.00 54.13 56.30 1qe5 s LEU 100 Cb -0.17 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.37 1qe5 s LEU 100 CO 0.09 -0.32 0.77 -0.83 0.02 0.00 0.00 176.35 176.08 1qe5 s GLY 101 N -0.35 2.76 0.11 -3.19 0.00 -1.24 -4.57 107.32 100.85 1qe5 s GLY 101 Ca 0.49 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1qe5 s GLY 101 CO 0.41 1.17 0.00 -1.14 0.00 0.00 0.00 173.10 173.54 1qe5 n SER 102 N 3.15 -3.15 -3.69 1.64 3.41 -1.26 -4.38 113.62 109.34 1qe5 n SER 102 Ca -0.01 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 58.99 1qe5 n SER 102 Cb 0.51 -1.76 -0.09 0.00 -0.26 0.00 0.00 64.21 62.61 1qe5 n SER 102 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1qe5 s ARG 103 N -1.31 0.62 -0.23 4.33 3.52 -1.26 -4.89 118.95 119.73 1qe5 s ARG 103 Ca 0.00 0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 56.19 1qe5 s ARG 103 Cb 0.00 0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 1qe5 s ARG 103 CO 0.00 -0.08 0.23 0.99 -0.81 0.00 0.00 175.30 175.63 1qe5 s THR 104 N 0.23 5.31 0.20 4.11 2.01 -1.26 -5.08 115.64 121.15 1qe5 s THR 104 Ca -0.00 0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 1qe5 s THR 104 Cb -0.04 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1qe5 s THR 104 CO 0.01 0.31 0.43 -1.00 -0.69 0.00 0.00 174.62 173.68 1qe5 s HIS 105 N 1.18 3.47 0.34 4.92 0.09 -1.26 -4.48 115.29 119.56 1qe5 s HIS 105 Ca 0.11 0.54 0.06 0.00 -0.00 0.00 0.00 55.06 55.77 1qe5 s HIS 105 Cb -0.14 -2.01 0.71 0.00 -0.00 0.00 0.00 32.58 31.15 1qe5 s HIS 105 CO 0.06 0.35 1.89 -0.07 -0.00 0.00 0.00 174.74 176.97 1qe5 h LEU 106 N 2.33 0.74 0.00 0.89 3.38 -1.87 -2.30 115.31 118.47 1qe5 h LEU 106 Ca -0.47 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qe5 h LEU 106 Cb 1.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1qe5 h LEU 106 CO 0.70 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.65 1qe5 n TYR 107 N -4.53 0.00 1.15 1.13 0.18 -1.26 -1.29 117.16 112.53 1qe5 n TYR 107 Ca 0.15 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.06 1qe5 n TYR 107 Cb 0.35 0.00 0.23 0.00 -0.38 0.00 0.00 39.34 39.54 1qe5 n TYR 107 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1qe5 n GLU 108 N -0.72 0.92 -2.29 -3.48 1.02 -0.87 -4.86 120.64 110.37 1qe5 n GLU 108 Ca 0.06 -0.64 -0.11 0.00 -0.02 0.00 0.00 57.16 56.45 1qe5 n GLU 108 Cb 0.03 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1qe5 n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qe5 n GLY 109 N 1.38 -0.04 0.92 0.62 0.00 -0.41 -4.92 105.19 102.74 1qe5 n GLY 109 Ca 0.11 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.80 1qe5 n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qe5 n LYS 110 N -2.08 2.14 0.00 1.61 5.02 -1.26 -5.07 118.16 118.51 1qe5 n LYS 110 Ca -0.11 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.19 1qe5 n LYS 110 Cb 0.59 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1qe5 n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qe5 n GLY 111 N 1.18 1.65 0.22 0.72 0.00 -1.26 -4.46 105.19 103.24 1qe5 n GLY 111 Ca 0.15 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1qe5 n GLY 111 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qe5 h VAL 112 N 0.00 0.39 -0.54 1.61 3.04 -1.96 -3.18 116.25 115.62 1qe5 h VAL 112 Ca 0.00 -1.16 -0.02 0.00 -1.01 0.00 0.00 66.70 64.52 1qe5 h VAL 112 Cb 0.00 1.87 -0.02 0.00 -2.01 0.00 0.00 31.29 31.12 1qe5 h VAL 112 CO 0.00 0.18 0.27 0.03 -1.01 0.00 0.00 177.57 177.04 1qe5 h ARG 113 N 0.00 0.77 -0.00 4.17 3.08 -1.91 -2.63 114.38 117.86 1qe5 h ARG 113 Ca -0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1qe5 h ARG 113 Cb 0.85 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1qe5 h ARG 113 CO 0.02 0.62 -0.39 0.00 -1.07 0.00 0.00 179.97 179.15 1qe5 h ALA 114 N 1.11 1.35 -0.50 0.04 0.00 -1.77 -1.79 119.26 117.69 1qe5 h ALA 114 Ca 0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1qe5 h ALA 114 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1qe5 h ALA 114 CO -0.03 0.50 -0.04 0.28 0.00 0.00 0.00 179.25 179.95 1qe5 h VAL 115 N 0.00 1.26 -0.39 0.00 2.07 -1.49 -3.25 116.25 114.45 1qe5 h VAL 115 Ca -0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1qe5 h VAL 115 Cb 0.70 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1qe5 h VAL 115 CO 0.05 0.39 0.00 1.33 0.02 0.00 0.00 177.57 179.36 1qe5 n VAL 116 N -4.18 1.70 -0.14 2.57 0.24 -1.07 -4.55 118.33 112.89 1qe5 n VAL 116 Ca 0.02 -1.38 -0.05 0.00 -2.04 0.00 0.00 64.34 60.89 1qe5 n VAL 116 Cb 0.34 0.12 0.13 0.00 -1.47 0.00 0.00 33.84 32.96 1qe5 n VAL 116 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1qe5 h HIS 117 N 2.44 0.94 -0.46 6.34 2.76 -1.37 -1.61 115.15 124.19 1qe5 h HIS 117 Ca 0.00 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.02 1qe5 h HIS 117 Cb 1.18 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1qe5 h HIS 117 CO 0.46 0.84 0.23 0.78 -1.30 0.00 0.00 177.93 178.95 1qe5 h GLY 118 N 0.99 0.70 0.87 5.26 0.00 -1.82 0.10 103.07 109.18 1qe5 h GLY 118 Ca 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1qe5 h GLY 118 CO 0.02 0.32 0.06 -2.08 0.00 0.00 0.00 176.54 174.85 1qe5 h VAL 119 N 0.60 1.21 -0.22 4.60 2.07 -1.82 -0.40 116.25 122.30 1qe5 h VAL 119 Ca 0.16 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1qe5 h VAL 119 Cb 0.09 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1qe5 h VAL 119 CO -0.02 0.23 -0.23 0.03 0.02 0.00 0.00 177.57 177.59 1qe5 h ARG 120 N 0.23 0.40 -0.45 1.57 3.08 -1.00 -1.73 114.38 116.48 1qe5 h ARG 120 Ca 0.08 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1qe5 h ARG 120 Cb 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1qe5 h ARG 120 CO 0.00 0.61 0.05 1.15 -1.07 0.00 0.00 179.97 180.71 1qe5 h THR 121 N 0.36 1.25 -0.56 2.04 2.02 -0.66 -1.96 112.91 115.40 1qe5 h THR 121 Ca 0.06 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.25 1qe5 h THR 121 Cb 0.60 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1qe5 h THR 121 CO 0.04 0.33 0.17 0.00 0.37 0.00 0.00 175.52 176.43 1qe5 h ALA 122 N 0.94 0.73 -0.01 6.16 0.00 -0.64 -2.17 119.26 124.28 1qe5 h ALA 122 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1qe5 h ALA 122 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qe5 h ALA 122 CO 0.01 0.40 -0.30 0.00 0.00 0.00 0.00 179.25 179.37 1qe5 h ALA 123 N 1.04 1.50 0.00 0.00 0.00 -1.26 -2.08 119.26 118.46 1qe5 h ALA 123 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1qe5 h ALA 123 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qe5 h ALA 123 CO -0.00 0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 1qe5 h ALA 124 N 1.69 0.99 -0.00 0.00 0.00 -0.79 -2.34 119.26 118.81 1qe5 h ALA 124 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qe5 h ALA 124 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qe5 h ALA 124 CO 0.04 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1qe5 n THR 125 N -3.14 0.00 -0.30 0.00 -2.24 -0.81 -4.88 114.28 102.91 1qe5 n THR 125 Ca 0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1qe5 n THR 125 Cb 0.42 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1qe5 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qe5 n GLY 126 N 1.02 0.70 3.75 3.38 0.00 -0.88 -1.84 105.19 111.32 1qe5 n GLY 126 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1qe5 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe5 s ALA 127 N -2.45 2.89 -0.04 4.61 0.00 -0.95 -4.67 121.76 121.15 1qe5 s ALA 127 Ca 0.00 1.33 0.12 0.00 0.00 0.00 0.00 51.96 53.41 1qe5 s ALA 127 Cb 0.00 -3.56 -0.18 0.00 0.00 0.00 0.00 23.12 19.38 1qe5 s ALA 127 CO 0.00 -1.31 0.21 0.39 0.00 0.00 0.00 175.76 175.05 1qe5 n GLU 128 N -0.88 0.78 -4.90 0.00 1.02 0.37 -4.68 120.64 112.34 1qe5 n GLU 128 Ca 0.09 -0.09 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 1qe5 n GLU 128 Cb 0.45 -1.29 -0.16 0.00 -0.02 0.00 0.00 31.44 30.42 1qe5 n GLU 128 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qe5 s THR 129 N -2.71 1.49 -0.09 2.62 2.01 -1.15 -1.51 115.64 116.30 1qe5 s THR 129 Ca -0.05 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1qe5 s THR 129 Cb 0.07 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.34 1qe5 s THR 129 CO 0.49 0.42 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.47 1qe5 s LEU 130 N -0.33 1.75 -0.37 4.42 0.20 -0.30 -1.06 118.68 123.00 1qe5 s LEU 130 Ca 0.04 -0.39 -0.08 0.00 0.69 0.00 0.00 54.13 54.39 1qe5 s LEU 130 Cb -0.08 -1.03 0.05 0.00 -0.43 0.00 0.00 46.19 44.70 1qe5 s LEU 130 CO 0.00 0.05 0.17 -0.63 -0.29 0.00 0.00 176.35 175.65 1qe5 s ILE 131 N 0.72 4.02 -0.21 6.68 1.01 0.06 -1.18 121.20 132.30 1qe5 s ILE 131 Ca -0.13 -1.20 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 1qe5 s ILE 131 Cb -0.16 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1qe5 s ILE 131 CO 0.03 -0.31 0.35 -0.76 0.00 0.00 0.00 174.94 174.25 1qe5 s LEU 132 N 1.42 4.15 0.21 2.97 1.43 0.96 -1.67 118.68 128.15 1qe5 s LEU 132 Ca 0.01 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1qe5 s LEU 132 Cb -0.21 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1qe5 s LEU 132 CO 0.03 -0.04 -0.22 0.42 0.23 0.00 0.00 176.35 176.77 1qe5 s THR 133 N 1.23 2.47 0.25 5.49 -4.23 -0.77 -0.98 115.64 119.10 1qe5 s THR 133 Ca 0.17 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.42 1qe5 s THR 133 Cb -0.14 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.50 1qe5 s THR 133 CO 0.07 -0.18 0.60 0.54 -0.54 0.00 0.00 174.62 175.12 1qe5 s ASN 134 N -2.87 -0.22 0.00 3.99 4.22 -1.07 -3.13 114.94 115.87 1qe5 s ASN 134 Ca 0.23 -0.67 0.01 0.00 -2.14 0.00 0.00 52.86 50.29 1qe5 s ASN 134 Cb -0.07 0.65 -0.04 0.00 1.28 0.00 0.00 41.25 43.07 1qe5 s ASN 134 CO 0.11 -1.21 0.03 -0.83 -2.04 0.00 0.00 177.10 173.16 1qe5 s GLY 135 N -2.94 1.92 0.31 0.45 0.00 -1.17 -0.96 107.32 104.94 1qe5 s GLY 135 Ca 0.14 -0.93 -0.20 0.00 0.00 0.00 0.00 44.72 43.73 1qe5 s GLY 135 CO 0.05 -0.81 0.75 0.00 0.00 0.00 0.00 173.10 173.10 1qe5 s GLY 137 N -2.97 2.34 0.13 0.00 0.00 0.64 -0.40 107.32 107.06 1qe5 s GLY 137 Ca 0.12 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.52 1qe5 s GLY 137 CO 0.08 -0.16 0.03 -0.32 0.00 0.00 0.00 173.10 172.73 1qe5 s GLY 138 N -1.72 1.81 0.00 0.20 0.00 -0.80 -0.99 107.32 105.82 1qe5 s GLY 138 Ca 0.32 -1.22 0.12 0.00 0.00 0.00 0.00 44.72 43.94 1qe5 s GLY 138 CO 0.18 -1.22 0.79 1.04 0.00 0.00 0.00 173.10 173.88 1qe5 n LEU 139 N 0.13 1.67 -4.55 0.66 4.32 -0.44 -0.70 117.00 118.09 1qe5 n LEU 139 Ca -0.10 -0.89 -0.37 0.00 -0.02 0.00 0.00 56.01 54.63 1qe5 n LEU 139 Cb 0.54 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.22 1qe5 n LEU 139 CO 0.40 0.32 -0.20 0.21 -1.22 0.00 0.00 177.39 176.90 1qe5 s ASN 140 N -1.21 5.77 0.55 -1.43 3.84 -1.26 -5.00 114.94 116.20 1qe5 s ASN 140 Ca 0.12 -0.06 0.32 0.00 0.21 0.00 0.00 52.86 53.45 1qe5 s ASN 140 Cb 0.10 -2.06 1.55 0.00 -0.55 0.00 0.00 41.25 40.28 1qe5 s ASN 140 CO 0.21 -0.04 2.07 1.56 -2.79 0.00 0.00 177.10 178.12 1qe5 h GLN 141 N 8.27 0.00 0.00 0.43 4.20 -1.94 -2.64 115.11 123.43 1qe5 h GLN 141 Ca -0.36 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1qe5 h GLN 141 Cb 1.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 1qe5 h GLN 141 CO 0.56 0.07 -0.06 0.93 -0.67 0.00 0.00 178.83 179.67 1qe5 h GLU 142 N 0.00 0.00 -3.73 1.46 5.08 -2.01 -3.36 114.58 112.01 1qe5 h GLU 142 Ca -0.00 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.57 1qe5 h GLU 142 Cb 0.38 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.36 1qe5 h GLU 142 CO 0.01 0.06 0.21 -1.58 -1.00 0.00 0.00 179.01 176.71 1qe5 s TRP 143 N -3.64 3.94 1.11 4.33 0.51 -1.00 -5.06 118.94 119.15 1qe5 s TRP 143 Ca 0.01 -2.26 -0.17 0.00 -2.12 0.00 0.00 56.10 51.57 1qe5 s TRP 143 Cb 0.09 -3.81 0.25 0.00 -0.81 0.00 0.00 33.47 29.18 1qe5 s TRP 143 CO 0.58 -0.97 1.15 0.20 -0.51 0.00 0.00 176.95 177.39 1qe5 s GLY 144 N 1.83 1.61 0.26 0.98 0.00 -1.26 -4.80 107.32 105.94 1qe5 s GLY 144 Ca 0.22 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 1qe5 s GLY 144 CO -0.09 -0.08 1.28 0.00 0.00 0.00 0.00 173.10 174.22 1qe5 n ALA 145 N -4.44 0.69 -0.10 3.20 0.00 -1.26 -1.90 120.51 116.69 1qe5 n ALA 145 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1qe5 n ALA 145 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1qe5 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qe5 n GLY 146 N 1.65 0.67 3.66 0.00 0.00 0.22 -4.85 105.19 106.54 1qe5 n GLY 146 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1qe5 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qe5 s THR 147 N -2.34 4.97 0.29 2.61 2.01 -0.80 -4.84 115.64 117.55 1qe5 s THR 147 Ca 0.00 1.32 -0.28 0.00 0.31 0.00 0.00 61.69 63.04 1qe5 s THR 147 Cb 0.00 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 1qe5 s THR 147 CO 0.00 0.07 0.95 -2.16 -0.69 0.00 0.00 174.62 172.79 1qe5 s PRO 148 N 2.05 4.69 -0.04 4.92 0.04 -1.26 -1.25 135.00 144.15 1qe5 s PRO 148 Ca 0.31 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1qe5 s PRO 148 Cb -0.16 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.40 1qe5 s PRO 148 CO 0.11 0.37 0.09 0.08 0.04 0.00 0.00 177.00 177.68 1qe5 s VAL 149 N -1.43 -0.02 0.12 -0.36 1.01 0.17 -4.44 120.40 115.44 1qe5 s VAL 149 Ca 0.46 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 1qe5 s VAL 149 Cb -0.22 -0.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 1qe5 s VAL 149 CO 0.28 0.03 0.70 -0.76 0.00 0.00 0.00 175.10 175.35 1qe5 s LEU 150 N 0.48 4.55 -0.13 3.92 1.43 -0.02 -0.01 118.68 128.90 1qe5 s LEU 150 Ca -0.04 1.49 -0.26 0.00 -1.03 0.00 0.00 54.13 54.29 1qe5 s LEU 150 Cb -0.05 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1qe5 s LEU 150 CO -0.02 0.21 0.86 -0.76 0.23 0.00 0.00 176.35 176.86 1qe5 s LEU 151 N -0.98 4.22 0.04 1.79 1.02 -0.73 -0.45 118.68 123.58 1qe5 s LEU 151 Ca 0.34 1.27 0.20 0.00 0.02 0.00 0.00 54.13 55.96 1qe5 s LEU 151 Cb -0.22 -3.29 -0.18 0.00 0.02 0.00 0.00 46.19 42.52 1qe5 s LEU 151 CO 0.23 -0.36 0.67 -1.54 0.02 0.00 0.00 176.35 175.37 1qe5 n SER 152 N 4.92 0.45 -3.65 2.29 3.41 -0.49 -4.65 113.62 115.89 1qe5 n SER 152 Ca 0.05 0.19 0.01 0.00 -0.26 0.00 0.00 58.87 58.85 1qe5 n SER 152 Cb 0.49 0.99 -0.00 0.00 -0.26 0.00 0.00 64.21 65.43 1qe5 n SER 152 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qe5 s ASP 153 N -5.18 -0.05 0.19 4.04 2.15 -1.26 -4.61 116.67 111.95 1qe5 s ASP 153 Ca -0.05 -0.19 -0.02 0.00 0.43 0.00 0.00 52.55 52.72 1qe5 s ASP 153 Cb 0.10 0.20 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 1qe5 s ASP 153 CO 0.84 -0.38 0.15 -1.38 -0.17 0.00 0.00 175.17 174.23 1qe5 s HIS 154 N -2.41 1.05 -0.14 -5.34 -3.43 -1.26 -1.75 115.29 102.01 1qe5 s HIS 154 Ca 0.17 -1.30 -0.00 0.00 -0.80 0.00 0.00 55.06 53.12 1qe5 s HIS 154 Cb 0.03 -0.48 0.03 0.00 -1.43 0.00 0.00 32.58 30.73 1qe5 s HIS 154 CO -0.02 -0.65 -0.07 0.42 -2.00 0.00 0.00 174.74 172.41 1qe5 s ILE 155 N -4.13 1.10 -0.36 -5.38 1.01 -0.39 -4.91 121.20 108.15 1qe5 s ILE 155 Ca 0.35 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 1qe5 s ILE 155 Cb 0.06 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.36 1qe5 s ILE 155 CO 0.10 0.28 0.46 0.21 0.00 0.00 0.00 174.94 176.00 1qe5 s ASN 156 N 1.66 6.26 -0.30 3.58 2.47 -1.26 -1.46 114.94 125.90 1qe5 s ASN 156 Ca 0.03 -0.16 0.10 0.00 0.42 0.00 0.00 52.86 53.26 1qe5 s ASN 156 Cb -0.14 -2.24 0.57 0.00 -1.45 0.00 0.00 41.25 37.99 1qe5 s ASN 156 CO -0.08 -0.46 1.57 0.18 -3.72 0.00 0.00 177.10 174.59 1qe5 n LEU 157 N 5.64 4.71 -0.28 3.21 4.77 0.06 -4.52 117.00 130.59 1qe5 n LEU 157 Ca -0.06 -3.52 0.12 0.00 -0.03 0.00 0.00 56.01 52.51 1qe5 n LEU 157 Cb 0.49 -0.66 0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1qe5 n LEU 157 CO 0.44 1.05 0.36 0.35 -1.33 0.00 0.00 177.39 178.26 1qe5 n THR 158 N -0.89 0.00 -1.54 -5.08 -2.24 -1.21 -4.49 114.28 98.83 1qe5 n THR 158 Ca 0.36 -0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.81 1qe5 n THR 158 Cb 1.15 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 70.14 1qe5 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qe5 n ALA 159 N -0.64 -0.28 -2.44 6.98 0.00 -1.26 -4.90 120.51 117.97 1qe5 n ALA 159 Ca 0.09 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.60 1qe5 n ALA 159 Cb 0.39 -1.96 -0.11 0.00 0.00 0.00 0.00 19.45 17.77 1qe5 n ALA 159 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qe5 s ARG 160 N -3.57 1.38 0.00 0.00 1.81 -1.26 -5.15 118.95 112.16 1qe5 s ARG 160 Ca 0.00 -1.50 0.02 0.00 -1.72 0.00 0.00 55.73 52.53 1qe5 s ARG 160 Cb 0.00 -1.45 -0.01 0.00 -0.45 0.00 0.00 34.95 33.04 1qe5 s ARG 160 CO 0.00 0.29 -0.07 0.45 -0.68 0.00 0.00 175.30 175.29 1qe5 s SER 161 N -2.87 0.84 0.21 0.23 0.15 -1.26 -5.01 113.70 105.99 1qe5 s SER 161 Ca 0.19 -0.17 0.26 0.00 0.70 0.00 0.00 55.95 56.94 1qe5 s SER 161 Cb -0.05 -0.08 0.80 0.00 -1.71 0.00 0.00 66.02 64.97 1qe5 s SER 161 CO 0.08 0.06 1.76 -0.81 1.20 0.00 0.00 173.24 175.53 1qe5 n PRO 162 N 2.76 0.26 -3.10 5.44 -0.04 -1.26 -4.85 135.00 134.21 1qe5 n PRO 162 Ca -0.14 0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 1qe5 n PRO 162 Cb 0.57 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 1qe5 n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qe5 s LEU 163 N -4.51 4.57 0.00 1.53 1.43 -1.26 -4.90 118.68 115.53 1qe5 s LEU 163 Ca 0.11 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.77 1qe5 s LEU 163 Cb 0.12 -3.13 0.15 0.00 0.03 0.00 0.00 46.19 43.36 1qe5 s LEU 163 CO 0.60 0.23 1.00 -0.62 0.23 0.00 0.00 176.35 177.79 1qe5 n GLU 164 N 1.67 1.72 -2.83 1.70 1.02 -1.26 -5.06 120.64 117.60 1qe5 n GLU 164 Ca -0.08 -1.50 -0.08 0.00 -0.02 0.00 0.00 57.16 55.48 1qe5 n GLU 164 Cb 0.50 -1.17 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1qe5 n GLU 164 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qe5 n GLY 165 N 0.32 3.04 3.55 0.62 0.00 -1.26 -5.04 105.19 106.41 1qe5 n GLY 165 Ca 0.07 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 1qe5 n GLY 165 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qe5 n PRO 166 N -0.28 0.63 -4.06 1.61 -0.02 -1.26 -4.84 135.00 126.78 1qe5 n PRO 166 Ca 0.02 -0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 60.76 1qe5 n PRO 166 Cb 0.27 -3.18 -0.15 0.00 -0.02 0.00 0.00 33.50 30.42 1qe5 n PRO 166 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1qe5 s THR 167 N 12.05 2.29 -0.78 3.45 2.01 -1.26 -5.00 115.64 128.40 1qe5 s THR 167 Ca 1.02 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1qe5 s THR 167 Cb -0.30 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 69.98 1qe5 s THR 167 CO 0.22 0.13 0.28 0.49 -0.69 0.00 0.00 174.62 175.05 1qe5 n PHE 168 N 4.52 0.00 -2.81 4.92 3.72 -1.26 -4.96 117.46 121.58 1qe5 n PHE 168 Ca -0.16 -0.05 -0.41 0.00 -0.05 0.00 0.00 57.45 56.78 1qe5 n PHE 168 Cb 0.45 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 1qe5 n PHE 168 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1qe5 s VAL 169 N -0.67 4.65 -0.11 -4.37 -7.23 -1.26 -5.02 120.40 106.39 1qe5 s VAL 169 Ca 0.00 1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 61.87 1qe5 s VAL 169 Cb 0.00 -4.25 -0.03 0.00 0.56 0.00 0.00 36.38 32.66 1qe5 s VAL 169 CO 0.00 0.31 0.64 -0.62 -0.31 0.00 0.00 175.10 175.12 1qe5 s ASP 170 N 0.16 6.86 -0.34 4.85 2.15 -1.26 -4.93 116.67 124.16 1qe5 s ASP 170 Ca 0.45 1.03 0.07 0.00 0.43 0.00 0.00 52.55 54.53 1qe5 s ASP 170 Cb -0.22 -2.37 0.50 0.00 -0.30 0.00 0.00 42.92 40.53 1qe5 s ASP 170 CO 0.27 -0.13 1.51 0.18 -0.17 0.00 0.00 175.17 176.83 1qe5 n LEU 171 N 4.05 4.81 0.09 -1.34 4.77 -1.26 -4.69 117.00 123.43 1qe5 n LEU 171 Ca -0.02 -4.00 -0.04 0.00 -0.03 0.00 0.00 56.01 51.91 1qe5 n LEU 171 Cb 0.51 -0.64 0.15 0.00 -2.33 0.00 0.00 43.42 41.11 1qe5 n LEU 171 CO 0.46 1.43 0.52 0.74 -1.33 0.00 0.00 177.39 179.20 1qe5 h THR 172 N 1.19 1.37 -2.37 -5.08 2.02 -2.04 -3.33 112.91 104.66 1qe5 h THR 172 Ca 0.32 -1.87 -0.59 0.00 0.77 0.00 0.00 66.41 65.03 1qe5 h THR 172 Cb 1.62 1.92 -0.40 0.00 -1.74 0.00 0.00 68.15 69.55 1qe5 h THR 172 CO 0.63 0.55 -0.85 0.47 0.37 0.00 0.00 175.52 176.69 1qe5 n ASP 173 N -3.91 1.36 -0.13 4.18 8.00 -1.26 -4.93 116.55 119.86 1qe5 n ASP 173 Ca -0.02 -2.87 -0.09 0.00 0.71 0.00 0.00 54.79 52.52 1qe5 n ASP 173 Cb 0.58 -0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1qe5 n ASP 173 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1qe5 h VAL 174 N 3.51 1.15 -3.14 2.53 2.07 -1.90 -3.36 116.25 117.12 1qe5 h VAL 174 Ca 0.17 -0.39 -0.74 0.00 0.82 0.00 0.00 66.70 66.56 1qe5 h VAL 174 Cb 0.81 0.68 -0.23 0.00 -1.52 0.00 0.00 31.29 31.04 1qe5 h VAL 174 CO 0.57 0.16 0.01 -0.31 0.02 0.00 0.00 177.57 178.02 1qe5 s TYR 175 N -5.86 3.26 -0.40 1.57 2.02 -1.26 -4.12 117.35 112.56 1qe5 s TYR 175 Ca -0.13 -1.33 -0.37 0.00 -0.37 0.00 0.00 57.07 54.87 1qe5 s TYR 175 Cb 0.10 -3.90 -0.16 0.00 -0.40 0.00 0.00 41.96 37.61 1qe5 s TYR 175 CO 0.74 -1.13 1.47 0.45 -1.57 0.00 0.00 175.55 175.51 1qe5 n SER 176 N 5.42 0.81 0.25 2.29 2.88 -0.92 -4.85 113.62 119.49 1qe5 n SER 176 Ca -0.05 0.77 0.08 0.00 -1.33 0.00 0.00 58.87 58.34 1qe5 n SER 176 Cb 0.43 -0.71 0.62 0.00 -0.75 0.00 0.00 64.21 63.79 1qe5 n SER 176 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1qe5 h PRO 177 N 5.41 0.00 0.27 -1.46 0.11 -1.91 -2.30 132.00 132.11 1qe5 h PRO 177 Ca -0.23 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.88 1qe5 h PRO 177 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1qe5 h PRO 177 CO 0.82 0.09 -0.33 -0.09 -0.21 0.00 0.00 178.00 178.28 1qe5 h ARG 178 N 0.00 -0.63 -0.37 1.05 1.12 -1.97 -0.56 114.38 113.02 1qe5 h ARG 178 Ca -0.00 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 1qe5 h ARG 178 Cb 0.18 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1qe5 h ARG 178 CO 0.01 -0.42 -0.07 -0.07 -3.11 0.00 0.00 179.97 176.31 1qe5 h LEU 179 N -0.65 0.59 -1.07 3.80 3.38 -1.85 -1.39 115.31 118.12 1qe5 h LEU 179 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1qe5 h LEU 179 Cb 0.62 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1qe5 h LEU 179 CO -0.10 0.71 0.35 0.03 0.09 0.00 0.00 178.44 179.51 1qe5 h ARG 180 N 0.57 1.00 -0.24 1.13 3.08 -1.00 -0.87 114.38 118.06 1qe5 h ARG 180 Ca 0.11 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1qe5 h ARG 180 Cb 0.47 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1qe5 h ARG 180 CO 0.02 0.77 0.05 0.93 -1.07 0.00 0.00 179.97 180.67 1qe5 h GLU 181 N 1.00 0.38 -0.09 0.04 4.39 -0.63 -1.62 114.58 118.05 1qe5 h GLU 181 Ca 0.25 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.89 1qe5 h GLU 181 Cb 0.09 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1qe5 h GLU 181 CO -0.03 0.50 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.01 1qe5 h LEU 182 N 0.20 -0.73 -1.01 1.33 3.38 -0.80 0.65 115.31 118.34 1qe5 h LEU 182 Ca 0.07 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.36 1qe5 h LEU 182 Cb 0.29 0.32 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 1qe5 h LEU 182 CO 0.00 -0.29 0.61 0.00 0.09 0.00 0.00 178.44 178.85 1qe5 h ALA 183 N 0.59 1.71 0.00 1.53 0.00 -1.08 1.21 119.26 123.22 1qe5 h ALA 183 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qe5 h ALA 183 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qe5 h ALA 183 CO -0.28 -0.10 0.00 0.45 0.00 0.00 0.00 179.25 179.32 1qe5 h HIS 184 N 0.72 0.00 -0.20 0.00 3.86 -0.15 0.23 115.15 119.62 1qe5 h HIS 184 Ca 0.60 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.61 1qe5 h HIS 184 Cb 0.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1qe5 h HIS 184 CO -0.00 0.00 -0.66 0.00 0.86 0.00 0.00 177.93 178.13 1qe5 h ARG 185 N 0.00 0.74 -0.08 2.45 2.47 0.36 -2.60 114.38 117.72 1qe5 h ARG 185 Ca 0.00 -0.53 -0.07 0.00 -1.26 0.00 0.00 59.98 58.12 1qe5 h ARG 185 Cb 0.63 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1qe5 h ARG 185 CO 0.00 1.15 -0.22 0.28 0.56 0.00 0.00 179.97 181.74 1qe5 h VAL 186 N 0.54 1.41 -2.65 2.04 2.07 -0.59 -3.42 116.25 115.66 1qe5 h VAL 186 Ca -0.02 -1.56 -0.51 0.00 0.82 0.00 0.00 66.70 65.43 1qe5 h VAL 186 Cb 1.26 2.21 -0.39 0.00 -1.52 0.00 0.00 31.29 32.85 1qe5 h VAL 186 CO 0.13 0.45 -0.78 -0.62 0.02 0.00 0.00 177.57 176.78 1qe5 s ASP 187 N -6.24 3.13 0.44 0.57 -1.08 0.76 -5.00 116.67 109.25 1qe5 s ASP 187 Ca -0.15 -1.42 0.30 0.00 -0.52 0.00 0.00 52.55 50.76 1qe5 s ASP 187 Cb 0.04 -0.23 1.57 0.00 -1.46 0.00 0.00 42.92 42.84 1qe5 s ASP 187 CO 0.76 -0.40 1.91 1.55 0.52 0.00 0.00 175.17 179.51 1qe5 h PRO 188 N 8.06 0.00 -0.01 4.34 0.13 -1.69 -2.94 132.00 139.89 1qe5 h PRO 188 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1qe5 h PRO 188 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1qe5 h PRO 188 CO 0.38 0.00 -0.08 0.25 -0.23 0.00 0.00 178.00 178.32 1qe5 n THR 189 N -2.56 0.00 -2.22 1.56 -2.24 -1.26 -4.91 114.28 102.65 1qe5 n THR 189 Ca -0.02 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1qe5 n THR 189 Cb 0.08 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1qe5 n THR 189 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qe5 s LEU 190 N -2.22 4.41 0.71 3.22 1.43 -1.11 -5.01 118.68 120.11 1qe5 s LEU 190 Ca 0.34 2.39 -0.07 0.00 -1.03 0.00 0.00 54.13 55.77 1qe5 s LEU 190 Cb 0.21 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.88 1qe5 s LEU 190 CO 0.41 -0.53 1.02 -2.16 0.23 0.00 0.00 176.35 175.32 1qe5 s PRO 191 N -0.04 2.15 0.17 1.29 0.04 -1.26 -4.89 135.00 132.46 1qe5 s PRO 191 Ca 0.57 -0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.43 1qe5 s PRO 191 Cb -0.36 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1qe5 s PRO 191 CO 0.38 -1.26 -0.23 -1.21 0.04 0.00 0.00 177.00 174.71 1qe5 s GLU 192 N -5.25 1.41 0.09 4.56 2.02 -1.26 -0.84 118.70 119.43 1qe5 s GLU 192 Ca 0.61 -1.43 -0.25 0.00 0.02 0.00 0.00 54.97 53.91 1qe5 s GLU 192 Cb -0.10 -1.72 0.07 0.00 0.10 0.00 0.00 34.13 32.48 1qe5 s GLU 192 CO 0.45 0.38 0.62 0.20 0.02 0.00 0.00 175.26 176.93 1qe5 s GLY 193 N -2.47 -0.60 0.06 -1.39 0.00 0.40 -4.89 107.32 98.44 1qe5 s GLY 193 Ca 0.17 0.75 -0.25 0.00 0.00 0.00 0.00 44.72 45.39 1qe5 s GLY 193 CO 0.08 0.41 0.75 0.14 0.00 0.00 0.00 173.10 174.48 1qe5 s VAL 194 N -2.90 4.68 -0.09 1.40 1.01 -1.26 -1.40 120.40 121.83 1qe5 s VAL 194 Ca -0.03 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1qe5 s VAL 194 Cb -0.01 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1qe5 s VAL 194 CO -0.05 0.40 -0.08 -0.47 0.00 0.00 0.00 175.10 174.89 1qe5 s TYR 195 N -0.29 2.90 -0.13 5.22 6.14 -0.72 -1.40 117.35 129.08 1qe5 s TYR 195 Ca 0.37 -0.18 -0.02 0.00 0.64 0.00 0.00 57.07 57.88 1qe5 s TYR 195 Cb -0.21 -1.77 -0.03 0.00 0.42 0.00 0.00 41.96 40.38 1qe5 s TYR 195 CO 0.23 0.14 -0.06 0.00 0.64 0.00 0.00 175.55 176.50 1qe5 s ALA 196 N -0.36 2.93 -0.27 3.97 0.00 0.55 -1.26 121.76 127.32 1qe5 s ALA 196 Ca 0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1qe5 s ALA 196 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1qe5 s ALA 196 CO 0.02 0.31 0.16 -1.14 0.00 0.00 0.00 175.76 175.11 1qe5 s GLN 197 N 0.06 3.90 0.02 0.00 0.74 -0.54 -2.31 119.66 121.54 1qe5 s GLN 197 Ca -0.01 -0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.05 1qe5 s GLN 197 Cb -0.14 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 1qe5 s GLN 197 CO 0.03 -0.14 0.11 -0.06 -0.55 0.00 0.00 175.29 174.68 1qe5 s PHE 198 N 1.61 3.33 0.43 1.67 0.40 -0.47 -0.76 117.98 124.19 1qe5 s PHE 198 Ca 0.07 0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.69 1qe5 s PHE 198 Cb -0.15 -1.72 0.95 0.00 0.51 0.00 0.00 43.02 42.60 1qe5 s PHE 198 CO 0.08 0.56 2.05 -1.00 0.70 0.00 0.00 175.22 177.62 1qe5 h PRO 199 N 3.73 0.44 0.00 0.24 0.13 -1.87 -3.40 132.00 131.28 1qe5 h PRO 199 Ca -0.48 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1qe5 h PRO 199 Cb 1.18 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qe5 h PRO 199 CO 0.66 0.29 -0.03 0.41 -0.23 0.00 0.00 178.00 179.10 1qe5 n GLY 200 N -1.49 -1.55 0.19 1.56 0.00 -1.26 -4.22 105.19 98.42 1qe5 n GLY 200 Ca 0.04 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.96 1qe5 n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qe5 h PRO 201 N 0.00 0.00 -7.24 1.61 0.13 -1.94 -3.45 132.00 121.12 1qe5 h PRO 201 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1qe5 h PRO 201 Cb 0.07 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.34 1qe5 h PRO 201 CO 0.00 0.00 0.33 -3.38 -0.23 0.00 0.00 178.00 174.72 1qe5 s HIS 202 N -3.20 2.22 0.66 1.56 -3.43 -1.26 -5.02 115.29 106.83 1qe5 s HIS 202 Ca 0.08 1.62 -0.04 0.00 -0.80 0.00 0.00 55.06 55.92 1qe5 s HIS 202 Cb 0.07 -3.27 0.06 0.00 -1.43 0.00 0.00 32.58 28.01 1qe5 s HIS 202 CO 0.65 -2.23 0.94 0.71 -2.00 0.00 0.00 174.74 172.81 1qe5 s TYR 203 N -2.43 2.75 0.34 0.38 2.02 -1.26 -5.04 117.35 114.12 1qe5 s TYR 203 Ca 0.68 0.23 -0.25 0.00 -0.37 0.00 0.00 57.07 57.36 1qe5 s TYR 203 Cb -0.23 -3.07 -0.10 0.00 -0.40 0.00 0.00 41.96 38.16 1qe5 s TYR 203 CO 0.50 -1.30 0.95 -1.21 -1.57 0.00 0.00 175.55 172.91 1qe5 s GLU 204 N -5.10 4.53 0.58 -0.62 8.01 -1.26 -5.06 118.70 119.77 1qe5 s GLU 204 Ca 0.60 1.30 -0.11 0.00 0.01 0.00 0.00 54.97 56.77 1qe5 s GLU 204 Cb -0.10 -2.71 -0.05 0.00 -4.31 0.00 0.00 34.13 26.97 1qe5 s GLU 204 CO 0.43 0.23 0.98 0.95 0.01 0.00 0.00 175.26 177.86 1qe5 s THR 205 N -1.70 4.72 0.37 3.63 -4.23 -1.26 -4.59 115.64 112.58 1qe5 s THR 205 Ca 0.52 0.81 0.14 0.00 -1.18 0.00 0.00 61.69 61.98 1qe5 s THR 205 Cb -0.17 -3.84 0.36 0.00 1.34 0.00 0.00 72.50 70.18 1qe5 s THR 205 CO 0.22 -1.02 1.78 -0.65 -0.54 0.00 0.00 174.62 174.42 1qe5 h PRO 206 N -0.01 0.49 -0.29 3.99 0.11 -1.98 0.68 132.00 135.00 1qe5 h PRO 206 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1qe5 h PRO 206 Cb 1.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1qe5 h PRO 206 CO 0.62 0.33 -0.25 0.00 -0.21 0.00 0.00 178.00 178.49 1qe5 h ALA 207 N 1.64 1.03 -0.04 -0.75 0.00 -1.92 -0.43 119.26 118.79 1qe5 h ALA 207 Ca 0.57 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1qe5 h ALA 207 Cb 1.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1qe5 h ALA 207 CO -0.31 0.58 -0.52 0.93 0.00 0.00 0.00 179.25 179.93 1qe5 h GLU 208 N 0.49 0.11 -0.28 0.00 5.08 -1.27 -1.22 114.58 117.49 1qe5 h GLU 208 Ca 0.07 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1qe5 h GLU 208 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1qe5 h GLU 208 CO 0.05 0.60 -0.49 0.28 -1.00 0.00 0.00 179.01 178.45 1qe5 h VAL 209 N 0.09 1.29 -0.47 3.13 2.07 -0.87 -0.53 116.25 120.96 1qe5 h VAL 209 Ca -0.00 -1.69 -0.13 0.00 0.82 0.00 0.00 66.70 65.70 1qe5 h VAL 209 Cb 0.95 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1qe5 h VAL 209 CO 0.07 0.55 -0.20 0.03 0.02 0.00 0.00 177.57 178.04 1qe5 h ARG 210 N 0.60 0.94 -0.11 1.57 3.08 -0.94 -2.60 114.38 116.92 1qe5 h ARG 210 Ca 0.03 -0.39 0.04 0.00 0.07 0.00 0.00 59.98 59.73 1qe5 h ARG 210 Cb 1.07 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1qe5 h ARG 210 CO 0.11 1.05 -0.14 1.98 -1.07 0.00 0.00 179.97 181.89 1qe5 h MET 211 N 0.81 -0.18 -0.68 0.04 4.05 -0.89 -0.88 114.93 117.20 1qe5 h MET 211 Ca 0.11 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1qe5 h MET 211 Cb 0.76 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.55 1qe5 h MET 211 CO 0.06 -0.12 0.38 0.00 0.23 0.00 0.00 176.91 177.46 1qe5 h ALA 212 N 0.86 0.92 -0.45 0.39 0.00 -0.99 -0.47 119.26 119.52 1qe5 h ALA 212 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qe5 h ALA 212 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qe5 h ALA 212 CO -0.22 0.06 0.27 0.78 0.00 0.00 0.00 179.25 180.13 1qe5 h GLY 213 N 0.70 0.65 1.93 0.00 0.00 -1.06 -0.48 103.07 104.81 1qe5 h GLY 213 Ca 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1qe5 h GLY 213 CO -0.19 0.26 -0.06 -2.22 0.00 0.00 0.00 176.54 174.33 1qe5 h ILE 214 N 0.59 1.09 0.00 2.60 2.04 -0.49 -0.59 117.51 122.75 1qe5 h ILE 214 Ca 0.16 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1qe5 h ILE 214 Cb 0.00 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1qe5 h ILE 214 CO -0.03 0.12 -0.08 0.18 0.00 0.00 0.00 178.15 178.34 1qe5 n LEU 215 N -4.41 0.24 0.00 1.44 4.77 -0.25 -4.92 117.00 113.87 1qe5 n LEU 215 Ca -0.02 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1qe5 n LEU 215 Cb 0.17 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1qe5 n LEU 215 CO 0.36 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1qe5 n GLY 216 N 1.46 1.06 3.86 -0.72 0.00 -0.23 -5.08 105.19 105.54 1qe5 n GLY 216 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1qe5 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe5 s ALA 217 N -2.00 3.39 -0.23 4.61 0.00 -0.76 -4.68 121.76 122.09 1qe5 s ALA 217 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 51.96 1qe5 s ALA 217 Cb 0.00 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.36 1qe5 s ALA 217 CO 0.00 0.34 0.26 -0.25 0.00 0.00 0.00 175.76 176.11 1qe5 n ASP 218 N -0.41 1.39 -3.80 0.00 8.00 -0.49 -4.22 116.55 117.01 1qe5 n ASP 218 Ca 0.03 -0.43 -0.12 0.00 0.71 0.00 0.00 54.79 54.97 1qe5 n ASP 218 Cb 0.53 1.13 -0.11 0.00 -0.02 0.00 0.00 41.12 42.65 1qe5 n ASP 218 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qe5 s LEU 219 N -2.78 1.15 0.03 0.64 1.43 -0.96 -1.33 118.68 116.87 1qe5 s LEU 219 Ca 0.01 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1qe5 s LEU 219 Cb 0.05 0.86 -0.02 0.00 0.03 0.00 0.00 46.19 47.12 1qe5 s LEU 219 CO 0.31 -0.21 -0.13 0.68 0.23 0.00 0.00 176.35 177.24 1qe5 s VAL 220 N -0.45 1.01 0.00 -1.59 -7.23 -0.16 -0.33 120.40 111.64 1qe5 s VAL 220 Ca -0.06 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1qe5 s VAL 220 Cb -0.04 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1qe5 s VAL 220 CO 0.01 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1qe5 n GLY 221 N 1.96 1.52 0.71 2.32 0.00 -0.98 -0.26 105.19 110.47 1qe5 n GLY 221 Ca -0.18 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.10 1qe5 n GLY 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qe5 n MET 222 N 0.00 1.28 0.00 1.61 2.81 -1.26 -1.37 117.12 120.19 1qe5 n MET 222 Ca 0.00 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.88 1qe5 n MET 222 Cb 0.00 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1qe5 n MET 222 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1qe5 n SER 223 N -0.86 0.00 0.00 7.83 3.41 -1.26 -4.69 113.62 118.05 1qe5 n SER 223 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1qe5 n SER 223 Cb 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1qe5 n SER 223 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qe5 n THR 224 N 0.00 0.00 -0.32 6.66 -1.04 -1.26 -4.65 114.28 113.67 1qe5 n THR 224 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1qe5 n THR 224 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 1qe5 n THR 224 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1qe5 h THR 225 N 0.00 1.25 -0.18 12.58 1.35 -1.96 0.72 112.91 126.68 1qe5 h THR 225 Ca 0.00 -0.59 -0.08 0.00 -0.55 0.00 0.00 66.41 65.19 1qe5 h THR 225 Cb 0.00 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.46 1qe5 h THR 225 CO 0.00 0.27 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.24 1qe5 h LEU 226 N 1.21 0.31 -0.53 3.87 3.38 -1.95 -1.11 115.31 120.48 1qe5 h LEU 226 Ca 0.31 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1qe5 h LEU 226 Cb -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1qe5 h LEU 226 CO -0.05 0.55 -0.32 -0.33 0.09 0.00 0.00 178.44 178.38 1qe5 h GLU 227 N 0.28 0.85 -0.47 1.13 3.07 -1.69 -1.76 114.58 116.00 1qe5 h GLU 227 Ca 0.05 -0.40 -0.11 0.00 -0.50 0.00 0.00 59.36 58.40 1qe5 h GLU 227 Cb 0.57 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1qe5 h GLU 227 CO 0.04 1.04 -0.12 0.00 -1.40 0.00 0.00 179.01 178.57 1qe5 h ALA 228 N 0.92 0.65 -0.08 3.43 0.00 -0.55 -0.30 119.26 123.34 1qe5 h ALA 228 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1qe5 h ALA 228 Cb 0.87 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1qe5 h ALA 228 CO 0.08 0.55 0.03 0.82 0.00 0.00 0.00 179.25 180.74 1qe5 h ILE 229 N 0.75 1.13 -0.82 0.00 2.04 -1.13 -1.51 117.51 117.98 1qe5 h ILE 229 Ca 0.12 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.64 1qe5 h ILE 229 Cb 0.67 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 1qe5 h ILE 229 CO 0.05 0.11 0.54 0.00 0.00 0.00 0.00 178.15 178.85 1qe5 h ALA 230 N 0.89 1.53 0.28 1.87 0.00 -1.15 -2.12 119.26 120.55 1qe5 h ALA 230 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1qe5 h ALA 230 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qe5 h ALA 230 CO -0.00 0.38 -0.13 0.00 0.00 0.00 0.00 179.25 179.49 1qe5 h ALA 231 N 1.53 -0.38 -0.79 0.00 0.00 -0.77 -2.28 119.26 116.57 1qe5 h ALA 231 Ca 0.33 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1qe5 h ALA 231 Cb 0.09 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1qe5 h ALA 231 CO -0.10 -0.69 0.49 0.00 0.00 0.00 0.00 179.25 178.95 1qe5 h ARG 232 N -0.42 0.90 -0.06 0.00 2.47 -1.14 0.64 114.38 116.77 1qe5 h ARG 232 Ca -0.04 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1qe5 h ARG 232 Cb 0.32 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1qe5 h ARG 232 CO 0.06 0.59 -0.02 1.25 0.56 0.00 0.00 179.97 182.41 1qe5 h HIS 233 N 0.92 0.08 -0.16 3.04 2.76 -1.24 0.99 115.15 121.54 1qe5 h HIS 233 Ca 0.34 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1qe5 h HIS 233 Cb 0.10 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1qe5 h HIS 233 CO -0.04 0.12 0.00 0.00 -1.30 0.00 0.00 177.93 176.71 1qe5 n GLY 235 N 1.16 0.44 3.82 0.00 0.00 0.34 -5.03 105.19 105.92 1qe5 n GLY 235 Ca 0.16 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1qe5 n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qe5 s LEU 236 N 0.00 3.87 0.02 0.99 1.02 -0.52 -4.97 118.68 119.09 1qe5 s LEU 236 Ca 0.00 1.68 -0.17 0.00 0.02 0.00 0.00 54.13 55.67 1qe5 s LEU 236 Cb 0.00 -4.54 -0.06 0.00 0.02 0.00 0.00 46.19 41.61 1qe5 s LEU 236 CO 0.00 -0.43 0.47 -0.70 0.02 0.00 0.00 176.35 175.71 1qe5 s GLU 237 N -3.36 4.05 -0.03 1.70 2.12 -0.57 -4.34 118.70 118.27 1qe5 s GLU 237 Ca 0.62 0.54 0.07 0.00 0.36 0.00 0.00 54.97 56.56 1qe5 s GLU 237 Cb -0.10 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 1qe5 s GLU 237 CO 0.17 0.64 -0.24 0.08 -0.54 0.00 0.00 175.26 175.37 1qe5 s VAL 238 N -1.00 1.93 -0.15 3.70 1.01 -1.26 -1.15 120.40 123.48 1qe5 s VAL 238 Ca 0.26 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1qe5 s VAL 238 Cb -0.18 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1qe5 s VAL 238 CO 0.15 0.54 -0.21 -0.22 0.00 0.00 0.00 175.10 175.37 1qe5 s LEU 239 N -0.41 2.08 -0.11 3.92 2.96 -0.32 -2.17 118.68 124.63 1qe5 s LEU 239 Ca 0.05 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 1qe5 s LEU 239 Cb -0.11 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1qe5 s LEU 239 CO 0.01 0.05 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.15 1qe5 s GLY 240 N 0.96 1.58 -0.08 7.98 0.00 -1.26 -0.03 107.32 116.47 1qe5 s GLY 240 Ca -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 1qe5 s GLY 240 CO -0.05 -0.33 -0.01 0.14 0.00 0.00 0.00 173.10 172.85 1qe5 s VAL 241 N 0.02 0.45 0.05 1.40 1.01 -0.15 -1.78 120.40 121.40 1qe5 s VAL 241 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1qe5 s VAL 241 Cb -0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1qe5 s VAL 241 CO 0.04 0.27 0.18 -0.44 0.00 0.00 0.00 175.10 175.15 1qe5 s SER 242 N 1.94 6.22 -0.22 3.32 0.01 0.99 -2.60 113.70 123.36 1qe5 s SER 242 Ca 0.05 0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 1qe5 s SER 242 Cb -0.12 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1qe5 s SER 242 CO -0.06 0.19 -0.05 -0.22 0.41 0.00 0.00 173.24 173.51 1qe5 s LEU 243 N -2.38 2.89 -0.44 2.44 0.20 -0.13 0.41 118.68 121.67 1qe5 s LEU 243 Ca 0.33 -0.43 -0.28 0.00 0.69 0.00 0.00 54.13 54.44 1qe5 s LEU 243 Cb -0.13 -1.73 -0.00 0.00 -0.43 0.00 0.00 46.19 43.90 1qe5 s LEU 243 CO 0.25 -0.03 1.61 -0.69 -0.29 0.00 0.00 176.35 177.21 1qe5 s VAL 244 N 1.47 3.65 0.24 1.68 1.01 -0.38 -1.14 120.40 126.92 1qe5 s VAL 244 Ca 0.06 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1qe5 s VAL 244 Cb -0.14 -4.02 0.18 0.00 0.00 0.00 0.00 36.38 32.39 1qe5 s VAL 244 CO -0.04 -0.74 1.82 0.74 0.00 0.00 0.00 175.10 176.88 1qe5 h THR 245 N 6.63 1.25 0.00 3.92 2.02 -1.07 0.65 112.91 126.30 1qe5 h THR 245 Ca -0.29 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1qe5 h THR 245 Cb 1.13 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1qe5 h THR 245 CO 1.10 0.31 0.00 -0.46 0.37 0.00 0.00 175.52 176.85 1qe5 n ASN 246 N -4.30 0.00 -4.75 4.18 6.94 -1.24 -4.59 115.26 111.51 1qe5 n ASN 246 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.22 1qe5 n ASN 246 Cb 0.16 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.57 1qe5 n ASN 246 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1qe5 n LEU 247 N 0.00 4.46 -4.73 -4.53 4.77 -1.26 -1.91 117.00 113.80 1qe5 n LEU 247 Ca 0.00 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 1qe5 n LEU 247 Cb 0.00 -1.60 0.12 0.00 -2.33 0.00 0.00 43.42 39.60 1qe5 n LEU 247 CO 0.00 0.19 0.70 0.00 -1.33 0.00 0.00 177.39 176.95 1qe5 s ALA 248 N -0.05 1.94 0.08 -1.18 0.00 0.12 -4.74 121.76 117.93 1qe5 s ALA 248 Ca 0.63 0.46 -0.37 0.00 0.00 0.00 0.00 51.96 52.68 1qe5 s ALA 248 Cb -0.49 -3.36 -0.17 0.00 0.00 0.00 0.00 23.12 19.10 1qe5 s ALA 248 CO 0.49 -2.15 1.25 0.00 0.00 0.00 0.00 175.76 175.35 1qe5 n ALA 249 N -3.70 -1.52 -0.79 0.00 0.00 -1.26 -1.60 120.51 111.64 1qe5 n ALA 249 Ca 0.11 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1qe5 n ALA 249 Cb 0.52 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1qe5 n ALA 249 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qe5 n GLY 250 N 2.25 1.11 0.11 0.00 0.00 -1.26 -4.43 105.19 102.97 1qe5 n GLY 250 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1qe5 n GLY 250 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qe5 h ILE 251 N 0.00 1.51 -2.95 -0.61 1.08 -1.64 -3.45 117.51 111.45 1qe5 h ILE 251 Ca 0.00 -2.54 -0.62 0.00 -0.39 0.00 0.00 64.86 61.30 1qe5 h ILE 251 Cb 0.00 3.20 -0.07 0.00 -3.07 0.00 0.00 36.82 36.89 1qe5 h ILE 251 CO 0.00 0.72 -0.30 -0.55 -0.69 0.00 0.00 178.15 177.33 1qe5 s SER 252 N -6.98 6.63 0.09 1.72 0.15 -1.26 -4.98 113.70 109.07 1qe5 s SER 252 Ca -0.14 0.75 -0.18 0.00 0.70 0.00 0.00 55.95 57.09 1qe5 s SER 252 Cb 0.01 -2.19 -0.08 0.00 -1.71 0.00 0.00 66.02 62.05 1qe5 s SER 252 CO 0.83 0.31 1.50 -0.65 1.20 0.00 0.00 173.24 176.43 1qe5 h PRO 253 N 5.11 0.51 -3.35 5.44 0.11 -2.00 -3.35 132.00 134.48 1qe5 h PRO 253 Ca -0.51 -0.18 -0.67 0.00 0.11 0.00 0.00 66.00 64.74 1qe5 h PRO 253 Cb 1.21 -0.04 -0.38 0.00 0.11 0.00 0.00 31.00 31.91 1qe5 h PRO 253 CO 0.63 0.70 -0.37 0.95 -0.21 0.00 0.00 178.00 179.70 1qe5 s THR 254 N -4.85 3.57 0.28 -1.15 -4.23 -1.26 -5.09 115.64 102.91 1qe5 s THR 254 Ca -0.13 -3.61 -0.30 0.00 -1.18 0.00 0.00 61.69 56.47 1qe5 s THR 254 Cb 0.08 -3.30 -0.11 0.00 1.34 0.00 0.00 72.50 70.51 1qe5 s THR 254 CO 0.76 -0.96 1.48 -2.16 -0.54 0.00 0.00 174.62 173.20 1qe5 s PRO 255 N -0.83 4.22 0.38 3.99 0.04 -1.26 -4.98 135.00 136.57 1qe5 s PRO 255 Ca 0.22 2.40 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 1qe5 s PRO 255 Cb -0.13 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.23 1qe5 s PRO 255 CO -0.09 -0.47 1.45 1.28 0.04 0.00 0.00 177.00 179.21 1qe5 n LEU 256 N 1.96 4.65 -4.71 -3.56 4.77 -1.26 -5.01 117.00 113.85 1qe5 n LEU 256 Ca 0.06 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 56.95 1qe5 n LEU 256 Cb 0.39 -1.60 0.15 0.00 -2.33 0.00 0.00 43.42 40.03 1qe5 n LEU 256 CO 0.62 0.02 0.66 -0.94 -1.33 0.00 0.00 177.39 176.41 1qe5 s SER 257 N -0.21 3.28 0.30 -1.43 1.04 -1.26 -4.82 113.70 110.61 1qe5 s SER 257 Ca 0.55 1.45 0.01 0.00 0.48 0.00 0.00 55.95 58.44 1qe5 s SER 257 Cb -0.49 -2.13 0.47 0.00 0.10 0.00 0.00 66.02 63.97 1qe5 s SER 257 CO 0.63 -2.75 1.84 -0.74 0.98 0.00 0.00 173.24 173.19 1qe5 h HIS 258 N -1.63 0.73 -0.65 5.02 2.76 -2.00 -1.71 115.15 117.67 1qe5 h HIS 258 Ca -0.50 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 57.55 1qe5 h HIS 258 Cb 1.29 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.01 1qe5 h HIS 258 CO 0.40 0.66 0.22 0.00 -1.30 0.00 0.00 177.93 177.91 1qe5 h ALA 259 N 1.39 1.17 -0.45 5.26 0.00 -2.00 -1.88 119.26 122.76 1qe5 h ALA 259 Ca 0.15 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1qe5 h ALA 259 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qe5 h ALA 259 CO 0.01 0.59 -0.23 0.93 0.00 0.00 0.00 179.25 180.54 1qe5 h GLU 260 N 0.95 0.92 -0.15 0.00 5.08 -1.76 -1.73 114.58 117.90 1qe5 h GLU 260 Ca 0.22 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1qe5 h GLU 260 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1qe5 h GLU 260 CO -0.01 1.05 0.08 0.28 -1.00 0.00 0.00 179.01 179.41 1qe5 h VAL 261 N 0.79 1.10 -0.95 3.13 2.07 -1.00 -1.57 116.25 119.82 1qe5 h VAL 261 Ca 0.10 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1qe5 h VAL 261 Cb 0.79 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1qe5 h VAL 261 CO 0.07 0.09 0.63 0.40 0.02 0.00 0.00 177.57 178.78 1qe5 h ILE 262 N 0.14 1.23 -0.20 4.57 2.04 -1.22 -0.47 117.51 123.59 1qe5 h ILE 262 Ca 0.05 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.34 1qe5 h ILE 262 Cb 0.07 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1qe5 h ILE 262 CO -0.01 0.23 -0.46 -0.33 0.00 0.00 0.00 178.15 177.58 1qe5 h GLU 263 N 1.27 0.51 -0.21 2.37 5.08 -1.14 -0.90 114.58 121.56 1qe5 h GLU 263 Ca 0.36 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1qe5 h GLU 263 Cb -0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1qe5 h GLU 263 CO -0.09 0.87 -0.52 0.00 -1.00 0.00 0.00 179.01 178.27 1qe5 h ALA 264 N 1.09 0.70 -0.22 3.43 0.00 -0.90 -1.45 119.26 121.90 1qe5 h ALA 264 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1qe5 h ALA 264 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1qe5 h ALA 264 CO 0.09 0.68 0.09 0.78 0.00 0.00 0.00 179.25 180.89 1qe5 h GLY 265 N 1.03 0.34 0.67 0.00 0.00 -0.91 -3.04 103.07 101.16 1qe5 h GLY 265 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1qe5 h GLY 265 CO 0.10 0.17 0.01 1.46 0.00 0.00 0.00 176.54 178.28 1qe5 h GLN 266 N 0.21 0.09 0.00 4.80 4.20 -0.96 -2.56 115.11 120.89 1qe5 h GLN 266 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1qe5 h GLN 266 Cb 0.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1qe5 h GLN 266 CO -0.01 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 1qe5 n ALA 267 N -2.35 1.51 1.10 3.87 0.00 -0.56 -0.90 120.51 123.18 1qe5 n ALA 267 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1qe5 n ALA 267 Cb 0.12 -1.15 0.17 0.00 0.00 0.00 0.00 19.45 18.59 1qe5 n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qe5 n ALA 268 N -1.38 3.54 0.17 0.00 0.00 -0.96 -4.55 120.51 117.32 1qe5 n ALA 268 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1qe5 n ALA 268 Cb 0.09 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.49 1qe5 n ALA 268 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qe5 h GLY 269 N 4.92 -0.96 0.55 0.00 0.00 -1.07 -1.18 103.07 105.33 1qe5 h GLY 269 Ca 0.00 0.52 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1qe5 h GLY 269 CO 0.00 -0.30 0.18 -0.56 0.00 0.00 0.00 176.54 175.86 1qe5 h PRO 270 N -0.75 0.34 -0.48 4.80 0.13 -1.80 -0.96 132.00 133.28 1qe5 h PRO 270 Ca -0.01 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1qe5 h PRO 270 Cb 0.73 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 1qe5 h PRO 270 CO -0.18 0.23 0.30 -0.09 -0.23 0.00 0.00 178.00 178.03 1qe5 h ARG 271 N 0.36 0.59 -0.38 0.86 2.43 -1.80 -1.78 114.38 114.66 1qe5 h ARG 271 Ca 0.23 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 1qe5 h ARG 271 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1qe5 h ARG 271 CO -0.24 0.39 -0.31 0.82 -1.51 0.00 0.00 179.97 179.12 1qe5 h ILE 272 N 0.61 1.28 0.00 1.20 5.03 -0.94 -0.83 117.51 123.86 1qe5 h ILE 272 Ca 0.18 -1.47 -0.10 0.00 -0.12 0.00 0.00 64.86 63.36 1qe5 h ILE 272 Cb -0.03 1.32 -0.01 0.00 -3.03 0.00 0.00 36.82 35.07 1qe5 h ILE 272 CO -0.06 0.49 -0.47 0.77 -0.68 0.00 0.00 178.15 178.19 1qe5 h SER 273 N 0.70 0.00 0.67 1.72 4.64 -1.01 -2.64 113.55 117.62 1qe5 h SER 273 Ca 0.08 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 1qe5 h SER 273 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1qe5 h SER 273 CO 0.08 0.47 -0.68 0.00 -0.87 0.00 0.00 176.83 175.82 1qe5 h ALA 274 N 1.53 0.86 -0.15 5.18 0.00 -0.94 -2.42 119.26 123.32 1qe5 h ALA 274 Ca -0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1qe5 h ALA 274 Cb 1.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1qe5 h ALA 274 CO 0.06 0.85 -0.17 1.25 0.00 0.00 0.00 179.25 181.24 1qe5 h LEU 275 N 0.01 0.41 -0.53 0.00 5.85 -0.90 -2.13 115.31 118.02 1qe5 h LEU 275 Ca -0.01 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1qe5 h LEU 275 Cb 1.21 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1qe5 h LEU 275 CO 0.09 0.82 0.14 -0.07 -0.34 0.00 0.00 178.44 179.08 1qe5 h LEU 276 N 0.02 0.80 0.03 2.25 3.38 -1.44 -0.91 115.31 119.43 1qe5 h LEU 276 Ca 0.02 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1qe5 h LEU 276 Cb 0.71 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1qe5 h LEU 276 CO 0.04 0.81 -0.10 0.00 0.09 0.00 0.00 178.44 179.28 1qe5 h ALA 277 N 1.01 -0.13 -0.66 1.53 0.00 -1.47 0.20 119.26 119.74 1qe5 h ALA 277 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1qe5 h ALA 277 Cb 0.32 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1qe5 h ALA 277 CO -0.00 -0.60 0.38 -0.44 0.00 0.00 0.00 179.25 178.59 1qe5 h ASP 278 N -0.19 0.81 -0.59 0.00 3.32 -1.30 -2.43 116.42 116.04 1qe5 h ASP 278 Ca 0.03 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1qe5 h ASP 278 Cb 0.22 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1qe5 h ASP 278 CO -0.08 0.65 0.15 0.40 -1.72 0.00 0.00 179.24 178.63 1qe5 h ILE 279 N 0.90 1.25 0.00 0.35 2.04 -0.93 -2.84 117.51 118.29 1qe5 h ILE 279 Ca 0.24 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1qe5 h ILE 279 Cb 0.00 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1qe5 h ILE 279 CO -0.04 0.34 -0.03 0.00 0.00 0.00 0.00 178.15 178.42 1qe5 h ALA 280 N 1.23 1.90 0.00 1.87 0.00 -0.11 0.52 119.26 124.67 1qe5 h ALA 280 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qe5 h ALA 280 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qe5 h ALA 280 CO 0.00 0.04 -0.03 0.87 0.00 0.00 0.00 179.25 180.13 1qe5 h LYS 281 N 0.00 0.00 0.00 0.00 1.57 -1.36 -3.50 116.57 113.29 1qe5 h LYS 281 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qe5 h LYS 281 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1qe5 h LYS 281 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42