#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6g n VAL 5 N 0.00 0.00 -3.06 2.46 0.24 -1.26 -4.90 118.33 111.81 3a6g n VAL 5 Ca 0.00 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 3a6g n VAL 5 Cb 0.00 1.17 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 3a6g n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3a6g s PHE 6 N -2.25 3.34 0.33 6.34 0.08 -1.26 0.63 117.98 125.19 3a6g s PHE 6 Ca 0.25 0.96 0.05 0.00 0.12 0.00 0.00 56.93 58.30 3a6g s PHE 6 Cb 0.19 -2.87 0.68 0.00 -0.57 0.00 0.00 43.02 40.44 3a6g s PHE 6 CO 0.44 -0.26 1.88 0.28 -0.10 0.00 0.00 175.22 177.46 3a6g h VAL 7 N 5.29 0.94 0.00 -0.44 2.07 -1.48 -0.86 116.25 121.77 3a6g h VAL 7 Ca -0.28 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3a6g h VAL 7 Cb 1.13 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3a6g h VAL 7 CO 0.79 0.16 -0.03 1.23 0.02 0.00 0.00 177.57 179.74 3a6g h GLY 8 N 0.85 0.00 -2.16 2.17 0.00 -1.93 -2.17 103.07 99.83 3a6g h GLY 8 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3a6g h GLY 8 CO -0.19 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.53 3a6g n GLU 9 N -3.31 2.41 -3.98 4.80 1.02 -0.33 -4.93 120.64 116.31 3a6g n GLU 9 Ca -0.02 -2.16 -0.21 0.00 -0.02 0.00 0.00 57.16 54.74 3a6g n GLU 9 Cb 0.15 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 3a6g n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a6g s LEU 10 N -1.31 3.87 0.50 -4.62 1.43 -0.82 -4.97 118.68 112.77 3a6g s LEU 10 Ca 0.40 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3a6g s LEU 10 Cb 0.22 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3a6g s LEU 10 CO 0.30 -0.14 0.78 0.42 0.23 0.00 0.00 176.35 177.95 3a6g s THR 11 N -2.14 4.41 0.43 5.49 -4.23 -1.26 -4.92 115.64 113.41 3a6g s THR 11 Ca 0.36 -0.02 0.32 0.00 -1.18 0.00 0.00 61.69 61.17 3a6g s THR 11 Cb -0.08 -3.68 0.35 0.00 1.34 0.00 0.00 72.50 70.43 3a6g s THR 11 CO 0.26 -0.63 2.13 4.11 -0.54 0.00 0.00 174.62 179.95 3a6g h TRP 12 N 0.17 0.00 -0.17 3.99 5.08 -1.99 -1.94 115.95 121.09 3a6g h TRP 12 Ca -0.47 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.32 3a6g h TRP 12 Cb 1.23 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.40 3a6g h TRP 12 CO 0.52 0.07 -0.61 0.87 -1.28 0.00 0.00 178.44 178.01 3a6g h LYS 13 N 0.00 0.71 -0.41 0.12 1.79 -1.98 -0.40 116.57 116.40 3a6g h LYS 13 Ca -0.00 -0.54 -0.05 0.00 -2.18 0.00 0.00 60.65 57.88 3a6g h LYS 13 Cb 0.27 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 3a6g h LYS 13 CO 0.01 1.16 0.07 0.93 -1.08 0.00 0.00 179.45 180.54 3a6g h GLU 14 N 0.40 0.68 -0.06 3.15 5.08 -1.81 -0.79 114.58 121.24 3a6g h GLU 14 Ca -0.03 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3a6g h GLU 14 Cb 1.24 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3a6g h GLU 14 CO 0.13 0.71 0.03 -0.92 -1.00 0.00 0.00 179.01 177.96 3a6g h TYR 15 N 0.53 0.08 -0.83 4.33 3.20 -1.36 -1.85 116.97 121.06 3a6g h TYR 15 Ca 0.13 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.07 3a6g h TYR 15 Cb 0.36 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.54 3a6g h TYR 15 CO 0.02 0.15 0.50 1.49 -1.64 0.00 0.00 178.16 178.68 3a6g h GLU 16 N -0.01 0.84 -0.73 1.82 4.81 -0.92 -1.02 114.58 119.36 3a6g h GLU 16 Ca 0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3a6g h GLU 16 Cb 0.10 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3a6g h GLU 16 CO -0.00 0.56 0.41 0.00 -0.73 0.00 0.00 179.01 179.24 3a6g h ALA 17 N 1.43 0.94 -0.34 2.92 0.00 -0.89 0.12 119.26 123.44 3a6g h ALA 17 Ca 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3a6g h ALA 17 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a6g h ALA 17 CO -0.21 0.45 0.04 0.00 0.00 0.00 0.00 179.25 179.53 3a6g h ARG 18 N 1.01 0.58 -0.01 0.00 2.47 -0.44 -2.85 114.38 115.14 3a6g h ARG 18 Ca 0.26 -0.16 -0.09 0.00 -1.26 0.00 0.00 59.98 58.73 3a6g h ARG 18 Cb 0.03 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3a6g h ARG 18 CO -0.04 0.67 -0.40 0.28 0.56 0.00 0.00 179.97 181.03 3a6g h VAL 19 N 0.41 1.29 0.00 2.04 2.07 -1.05 -2.65 116.25 118.36 3a6g h VAL 19 Ca 0.10 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3a6g h VAL 19 Cb 0.38 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3a6g h VAL 19 CO 0.01 0.40 0.00 0.00 0.02 0.00 0.00 177.57 178.00 3a6g h ALA 20 N 1.58 1.00 0.00 1.67 0.00 -0.72 -0.97 119.26 121.82 3a6g h ALA 20 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a6g h ALA 20 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3a6g h ALA 20 CO 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.23 3a6g h ALA 21 N 2.01 1.26 0.00 0.00 0.00 -1.47 -3.46 119.26 117.60 3a6g h ALA 21 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a6g h ALA 21 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3a6g h ALA 21 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3a6g n GLY 22 N -0.79 2.30 0.26 0.00 0.00 -0.37 -4.80 105.19 101.79 3a6g n GLY 22 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3a6g n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a6g n ASP 23 N 0.00 1.12 -4.74 1.61 5.75 -1.26 -4.95 116.55 114.07 3a6g n ASP 23 Ca 0.00 -2.42 -0.41 0.00 -0.01 0.00 0.00 54.79 51.95 3a6g n ASP 23 Cb 0.00 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 3a6g n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a6g s VAL 25 N 0.04 4.60 0.05 0.00 1.01 -1.26 -4.27 120.40 120.58 3a6g s VAL 25 Ca 0.60 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.51 3a6g s VAL 25 Cb -0.42 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3a6g s VAL 25 CO 0.43 0.45 -0.00 -0.76 0.00 0.00 0.00 175.10 175.21 3a6g s LEU 26 N 0.55 3.47 -0.03 3.92 1.43 -0.70 -1.47 118.68 125.84 3a6g s LEU 26 Ca 0.02 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3a6g s LEU 26 Cb -0.13 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.97 3a6g s LEU 26 CO 0.01 0.22 -0.12 -0.04 0.23 0.00 0.00 176.35 176.65 3a6g s MET 27 N -1.99 1.24 -0.20 1.70 -1.94 0.00 -0.42 119.30 117.69 3a6g s MET 27 Ca 0.23 -0.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 3a6g s MET 27 Cb -0.12 -1.12 0.05 0.00 2.01 0.00 0.00 34.83 35.65 3a6g s MET 27 CO 0.15 0.16 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.06 3a6g s LEU 28 N 0.15 2.27 0.16 -0.03 2.96 0.48 -0.18 118.68 124.49 3a6g s LEU 28 Ca -0.03 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 52.65 3a6g s LEU 28 Cb -0.10 -1.19 -0.07 0.00 0.50 0.00 0.00 46.19 45.34 3a6g s LEU 28 CO 0.01 -0.17 1.01 -2.84 -1.32 0.00 0.00 176.35 173.04 3a6g s PRO 29 N 1.42 4.70 -0.19 0.98 0.02 -1.26 -1.00 135.00 139.66 3a6g s PRO 29 Ca -0.02 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.56 3a6g s PRO 29 Cb -0.17 -3.32 0.04 0.00 0.02 0.00 0.00 34.50 31.08 3a6g s PRO 29 CO -0.08 0.23 -0.07 0.08 -0.33 0.00 0.00 177.00 176.83 3a6g s VAL 30 N -0.35 1.38 0.00 3.83 1.01 -0.24 -1.04 120.40 125.00 3a6g s VAL 30 Ca 0.46 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3a6g s VAL 30 Cb -0.26 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3a6g s VAL 30 CO 0.32 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3a6g n GLY 31 N 4.77 3.60 3.61 4.51 0.00 -0.26 -1.06 105.19 120.35 3a6g n GLY 31 Ca -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 3a6g n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6g s ALA 32 N -2.00 -2.14 -0.36 4.61 0.00 -1.23 -3.12 121.76 117.51 3a6g s ALA 32 Ca 0.00 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 3a6g s ALA 32 Cb 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.18 3a6g s ALA 32 CO 0.00 -0.72 0.12 -1.17 0.00 0.00 0.00 175.76 173.99 3a6g s LEU 33 N -2.40 4.58 -0.05 0.00 2.96 -1.17 -4.19 118.68 118.42 3a6g s LEU 33 Ca 0.11 -1.48 -0.08 0.00 -0.22 0.00 0.00 54.13 52.45 3a6g s LEU 33 Cb 0.01 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3a6g s LEU 33 CO -0.04 -0.40 0.20 -0.70 -1.32 0.00 0.00 176.35 174.09 3a6g s GLU 34 N 1.29 0.38 0.37 1.98 2.12 -0.39 -1.32 118.70 123.12 3a6g s GLU 34 Ca 0.01 0.01 -0.28 0.00 0.36 0.00 0.00 54.97 55.07 3a6g s GLU 34 Cb -0.21 0.17 -0.11 0.00 0.26 0.00 0.00 34.13 34.24 3a6g s GLU 34 CO -0.00 -0.08 1.50 1.14 -0.54 0.00 0.00 175.26 177.28 3a6g s GLN 35 N -0.55 4.10 -0.36 4.30 1.03 -1.26 -4.34 119.66 122.58 3a6g s GLN 35 Ca -0.06 2.59 0.14 0.00 0.04 0.00 0.00 55.36 58.06 3a6g s GLN 35 Cb -0.04 -2.97 0.45 0.00 0.03 0.00 0.00 33.01 30.48 3a6g s GLN 35 CO 0.01 -0.55 1.00 0.72 -2.54 0.00 0.00 175.29 173.93 3a6g n HIS 36 N 0.55 1.85 -1.06 9.60 8.25 -1.26 -4.97 115.22 128.18 3a6g n HIS 36 Ca 0.01 -2.89 0.00 0.00 -0.26 0.00 0.00 57.72 54.59 3a6g n HIS 36 Cb 0.39 -0.29 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 3a6g n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6g n GLY 37 N -0.19 -2.21 0.12 -1.41 0.00 -1.24 -3.67 105.19 96.59 3a6g n GLY 37 Ca 0.18 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.83 3a6g n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3a6g h HIS 38 N -0.03 0.00 -0.01 1.61 3.86 -1.83 -3.35 115.15 115.39 3a6g h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3a6g h HIS 38 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3a6g h HIS 38 CO 0.00 0.00 -0.71 -2.39 0.86 0.00 0.00 177.93 175.69 3a6g n HIS 39 N -2.40 0.00 -4.17 2.45 1.44 -1.26 -4.84 115.22 106.43 3a6g n HIS 39 Ca 0.05 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.65 3a6g n HIS 39 Cb 0.44 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.45 3a6g n HIS 39 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3a6g s MET 40 N -2.68 0.85 0.91 -1.40 1.00 -1.24 -0.78 119.30 115.96 3a6g s MET 40 Ca 0.13 -1.33 -0.12 0.00 0.00 0.00 0.00 55.69 54.37 3a6g s MET 40 Cb 0.17 -0.25 0.13 0.00 0.00 0.00 0.00 34.83 34.88 3a6g s MET 40 CO 0.70 -0.01 1.11 0.00 0.00 0.00 0.00 175.02 176.82 3a6g n MET 42 N -3.80 0.31 -0.40 0.00 0.00 -1.26 -4.00 117.12 107.96 3a6g n MET 42 Ca 0.06 -0.16 0.08 0.00 0.00 0.00 0.00 57.70 57.68 3a6g n MET 42 Cb 0.58 -1.50 0.27 0.00 0.00 0.00 0.00 33.22 32.57 3a6g n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3a6g n ASN 43 N -1.20 3.48 -0.28 7.83 0.23 -1.26 -1.27 115.26 122.80 3a6g n ASN 43 Ca 0.08 -2.21 0.09 0.00 -0.53 0.00 0.00 54.58 52.02 3a6g n ASN 43 Cb 0.33 -0.46 0.23 0.00 -2.08 0.00 0.00 39.78 37.81 3a6g n ASN 43 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3a6g h VAL 44 N 3.21 0.41 0.00 3.53 2.07 -1.83 0.25 116.25 123.90 3a6g h VAL 44 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3a6g h VAL 44 Cb 1.01 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3a6g h VAL 44 CO 0.11 0.04 0.00 0.47 0.02 0.00 0.00 177.57 178.22 3a6g n ASP 45 N -5.20 0.47 -0.12 0.57 8.00 -1.26 -1.42 116.55 117.59 3a6g n ASP 45 Ca 0.18 0.65 -0.25 0.00 0.71 0.00 0.00 54.79 56.08 3a6g n ASP 45 Cb 0.57 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 3a6g n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3a6g n VAL 46 N -2.06 1.54 -0.17 2.53 0.31 -0.07 -4.04 118.33 116.37 3a6g n VAL 46 Ca 0.01 -0.39 -0.04 0.00 -0.01 0.00 0.00 64.34 63.91 3a6g n VAL 46 Cb 0.14 -1.79 0.06 0.00 -0.91 0.00 0.00 33.84 31.34 3a6g n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3a6g h LEU 47 N -0.69 0.37 0.23 7.52 3.38 -0.84 -2.04 115.31 123.24 3a6g h LEU 47 Ca -0.60 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 3a6g h LEU 47 Cb 1.67 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3a6g h LEU 47 CO -0.28 0.25 -0.11 -0.07 0.09 0.00 0.00 178.44 178.32 3a6g h LEU 48 N 0.50 -0.27 -1.47 1.67 3.38 -1.48 -0.67 115.31 116.97 3a6g h LEU 48 Ca 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3a6g h LEU 48 Cb 0.15 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a6g h LEU 48 CO -0.17 0.05 -0.11 1.55 0.09 0.00 0.00 178.44 179.86 3a6g h PRO 49 N -0.60 0.21 -0.49 1.13 0.13 -1.74 -0.82 132.00 129.81 3a6g h PRO 49 Ca -0.03 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 3a6g h PRO 49 Cb 0.44 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 3a6g h PRO 49 CO 0.05 0.33 -0.19 1.15 -0.23 0.00 0.00 178.00 179.11 3a6g h THR 50 N 0.20 1.27 -0.51 1.56 2.02 -1.29 0.46 112.91 116.62 3a6g h THR 50 Ca 0.04 -1.34 -0.10 0.00 0.77 0.00 0.00 66.41 65.78 3a6g h THR 50 Cb 0.33 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3a6g h THR 50 CO 0.02 0.46 -0.08 0.00 0.37 0.00 0.00 175.52 176.29 3a6g h ALA 51 N 0.93 0.70 -0.35 6.16 0.00 -0.48 -0.43 119.26 125.78 3a6g h ALA 51 Ca 0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3a6g h ALA 51 Cb 0.75 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3a6g h ALA 51 CO 0.06 0.59 -0.06 0.28 0.00 0.00 0.00 179.25 180.12 3a6g h VAL 52 N 0.82 1.27 -0.41 0.00 2.07 -1.05 -2.31 116.25 116.65 3a6g h VAL 52 Ca 0.13 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3a6g h VAL 52 Cb 0.64 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3a6g h VAL 52 CO 0.04 0.36 0.24 0.00 0.02 0.00 0.00 177.57 178.23 3a6g h LYS 54 N 0.48 0.01 -0.41 0.00 3.64 -0.96 0.23 116.57 119.55 3a6g h LYS 54 Ca 0.16 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3a6g h LYS 54 Cb 0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3a6g h LYS 54 CO -0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 179.45 177.01 3a6g h ARG 55 N 0.01 0.79 -0.65 1.90 3.08 -1.12 -1.23 114.38 117.16 3a6g h ARG 55 Ca 0.12 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3a6g h ARG 55 Cb 0.18 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3a6g h ARG 55 CO -0.25 0.92 0.21 0.28 -1.07 0.00 0.00 179.97 180.06 3a6g h VAL 56 N 0.61 1.25 -0.74 2.04 2.07 -0.66 -0.69 116.25 120.13 3a6g h VAL 56 Ca 0.10 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3a6g h VAL 56 Cb 0.63 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3a6g h VAL 56 CO 0.04 0.32 0.24 0.00 0.02 0.00 0.00 177.57 178.19 3a6g h ALA 57 N 1.08 0.96 -0.53 1.67 0.00 -0.43 0.36 119.26 122.38 3a6g h ALA 57 Ca 0.21 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3a6g h ALA 57 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a6g h ALA 57 CO -0.01 0.64 -0.12 0.93 0.00 0.00 0.00 179.25 180.69 3a6g h GLU 58 N 1.09 1.01 -0.48 0.00 5.08 -0.97 0.32 114.58 120.63 3a6g h GLU 58 Ca 0.24 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 3a6g h GLU 58 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3a6g h GLU 58 CO -0.01 1.07 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.81 3a6g h ARG 59 N 0.90 0.96 -0.02 2.33 2.43 -0.67 -3.32 114.38 116.99 3a6g h ARG 59 Ca 0.14 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3a6g h ARG 59 Cb 0.69 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3a6g h ARG 59 CO 0.05 1.06 -0.06 0.44 -1.51 0.00 0.00 179.97 179.94 3a6g n ILE 60 N -4.17 0.00 -2.47 1.20 -5.35 0.08 -5.01 119.36 103.63 3a6g n ILE 60 Ca 0.00 -0.47 -0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3a6g n ILE 60 Cb 0.43 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 3a6g n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a6g n GLY 61 N 0.93 0.89 3.94 3.28 0.00 0.99 -5.04 105.19 110.18 3a6g n GLY 61 Ca 0.09 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 3a6g n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6g s ALA 62 N -2.92 4.43 0.13 4.61 0.00 -0.45 -4.73 121.76 122.82 3a6g s ALA 62 Ca 0.01 -1.67 0.10 0.00 0.00 0.00 0.00 51.96 50.39 3a6g s ALA 62 Cb -0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3a6g s ALA 62 CO 0.01 -0.50 -0.21 -0.51 0.00 0.00 0.00 175.76 174.54 3a6g s LEU 63 N -4.35 2.57 -0.19 0.00 1.43 -0.54 -4.65 118.68 112.94 3a6g s LEU 63 Ca 0.46 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3a6g s LEU 63 Cb -0.04 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.77 3a6g s LEU 63 CO 0.28 0.17 -0.11 -0.69 0.23 0.00 0.00 176.35 176.23 3a6g s VAL 64 N -1.16 2.83 0.67 -1.59 1.01 0.21 -0.82 120.40 121.55 3a6g s VAL 64 Ca 0.17 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3a6g s VAL 64 Cb -0.10 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3a6g s VAL 64 CO 0.09 0.48 1.05 -0.04 0.00 0.00 0.00 175.10 176.68 3a6g s MET 65 N 1.25 3.17 0.30 2.72 -1.94 0.75 -1.13 119.30 124.42 3a6g s MET 65 Ca 0.03 0.82 -0.30 0.00 -1.71 0.00 0.00 55.69 54.53 3a6g s MET 65 Cb -0.14 -2.03 -0.11 0.00 2.01 0.00 0.00 34.83 34.56 3a6g s MET 65 CO -0.05 -0.90 1.60 -2.14 -0.01 0.00 0.00 175.02 173.52 3a6g s PRO 66 N -5.13 4.11 0.57 2.03 0.02 -1.26 -4.50 135.00 130.84 3a6g s PRO 66 Ca 0.57 2.60 -0.16 0.00 0.02 0.00 0.00 61.00 64.02 3a6g s PRO 66 Cb -0.13 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 3a6g s PRO 66 CO 0.54 -0.64 1.04 0.20 -0.33 0.00 0.00 177.00 177.81 3a6g s GLY 67 N 0.46 2.14 -0.33 0.52 0.00 -1.26 -4.70 107.32 104.14 3a6g s GLY 67 Ca 0.63 0.36 -0.26 0.00 0.00 0.00 0.00 44.72 45.44 3a6g s GLY 67 CO 0.49 0.66 0.92 1.08 0.00 0.00 0.00 173.10 176.26 3a6g s LEU 68 N -4.33 4.01 0.37 0.66 1.43 -0.21 -4.92 118.68 115.70 3a6g s LEU 68 Ca 0.63 0.74 0.20 0.00 -1.03 0.00 0.00 54.13 54.67 3a6g s LEU 68 Cb -0.15 -3.28 0.32 0.00 0.03 0.00 0.00 46.19 43.12 3a6g s LEU 68 CO 0.34 -0.78 1.57 1.56 0.23 0.00 0.00 176.35 179.28 3a6g h GLN 69 N 8.24 0.00 -5.84 1.70 1.08 -1.89 -0.68 115.11 117.72 3a6g h GLN 69 Ca -0.23 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.29 3a6g h GLN 69 Cb 1.08 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.20 3a6g h GLN 69 CO 0.96 0.25 -0.87 0.71 -0.95 0.00 0.00 178.83 178.93 3a6g s TYR 70 N -3.16 2.50 0.00 2.96 1.51 -1.26 -3.06 117.35 116.83 3a6g s TYR 70 Ca 0.05 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.34 3a6g s TYR 70 Cb 0.07 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3a6g s TYR 70 CO 0.69 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 3a6g n GLY 71 N 3.08 4.48 3.77 0.71 0.00 -1.18 -4.77 105.19 111.27 3a6g n GLY 71 Ca -0.18 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.39 3a6g n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a6g s TYR 72 N -0.94 2.59 0.15 1.61 5.04 -1.26 -0.93 117.35 123.61 3a6g s TYR 72 Ca 0.00 1.55 -0.34 0.00 -2.44 0.00 0.00 57.07 55.84 3a6g s TYR 72 Cb 0.00 -3.08 -0.16 0.00 0.35 0.00 0.00 41.96 39.07 3a6g s TYR 72 CO 0.00 -1.77 1.23 1.63 -1.34 0.00 0.00 175.55 175.30 3a6g n LYS 73 N -3.25 1.19 -2.04 4.97 5.02 -1.23 -4.73 118.16 118.08 3a6g n LYS 73 Ca 0.09 0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 56.39 3a6g n LYS 73 Cb 0.53 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 3a6g n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a6g s SER 74 N 0.17 6.69 -0.07 4.39 0.15 -1.26 -4.89 113.70 118.88 3a6g s SER 74 Ca 0.77 2.55 -0.04 0.00 0.70 0.00 0.00 55.95 59.93 3a6g s SER 74 Cb -0.88 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 60.79 3a6g s SER 74 CO 0.50 -0.71 0.10 -1.10 1.20 0.00 0.00 173.24 173.22 3a6g s GLN 75 N 0.46 3.23 0.19 5.44 -1.52 -1.26 -1.99 119.66 124.22 3a6g s GLN 75 Ca 0.64 -0.31 -0.20 0.00 -1.95 0.00 0.00 55.36 53.54 3a6g s GLN 75 Cb -0.41 -3.00 0.14 0.00 -0.22 0.00 0.00 33.01 29.53 3a6g s GLN 75 CO 0.36 0.72 1.59 0.37 -0.25 0.00 0.00 175.29 178.07 3a6g h GLN 76 N 4.66 -0.14 0.00 2.91 4.15 -1.90 0.59 115.11 125.38 3a6g h GLN 76 Ca -0.52 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3a6g h GLN 76 Cb 1.20 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.92 3a6g h GLN 76 CO 0.59 -0.09 0.00 1.63 -1.93 0.00 0.00 178.83 179.03 3a6g n LYS 77 N -5.44 0.08 0.00 1.69 5.02 -1.26 -1.82 118.16 116.43 3a6g n LYS 77 Ca 0.05 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3a6g n LYS 77 Cb 0.36 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3a6g n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3a6g n SER 78 N -1.78 4.42 0.00 4.39 3.41 -0.79 -4.66 113.62 118.60 3a6g n SER 78 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3a6g n SER 78 Cb 0.23 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 3a6g n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a6g n GLY 79 N 2.52 -0.64 0.16 5.00 0.00 0.20 -4.56 105.19 107.87 3a6g n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a6g n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6g n GLY 80 N -0.06 2.99 0.00 -0.02 0.00 -0.76 -4.81 105.19 102.53 3a6g n GLY 80 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3a6g n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6g n GLY 81 N 0.00 3.53 1.00 -0.02 0.00 -1.20 -4.39 105.19 104.10 3a6g n GLY 81 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.35 3a6g n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a6g n ASN 82 N 0.00 2.62 -0.03 1.61 5.15 -0.84 -3.65 115.26 120.12 3a6g n ASN 82 Ca 0.00 -2.33 0.11 0.00 -0.60 0.00 0.00 54.58 51.76 3a6g n ASN 82 Cb 0.00 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 38.66 3a6g n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a6g n HIS 83 N 0.18 0.00 -2.45 1.20 1.44 -1.26 -4.95 115.22 109.38 3a6g n HIS 83 Ca 0.10 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.44 3a6g n HIS 83 Cb 0.59 -0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 3a6g n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3a6g s PHE 84 N -2.97 3.14 0.80 -1.40 0.40 -1.24 -5.03 117.98 111.69 3a6g s PHE 84 Ca 0.09 1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 57.92 3a6g s PHE 84 Cb 0.16 -3.21 0.07 0.00 0.51 0.00 0.00 43.02 40.55 3a6g s PHE 84 CO 0.81 -0.92 1.09 -2.14 0.70 0.00 0.00 175.22 174.76 3a6g s PRO 85 N -2.55 2.07 0.00 0.24 0.02 -1.26 -3.66 135.00 129.85 3a6g s PRO 85 Ca 0.59 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.59 3a6g s PRO 85 Cb -0.24 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3a6g s PRO 85 CO 0.30 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.66 3a6g n GLY 86 N -1.42 1.91 3.68 0.52 0.00 -1.26 -4.67 105.19 103.94 3a6g n GLY 86 Ca 0.08 -0.22 -0.46 0.00 0.00 0.00 0.00 46.02 45.41 3a6g n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a6g n THR 87 N 0.00 0.45 -3.88 2.61 -1.04 -1.24 -4.67 114.28 106.51 3a6g n THR 87 Ca 0.00 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.63 3a6g n THR 87 Cb 0.00 -1.89 -0.15 0.00 -1.82 0.00 0.00 70.33 66.46 3a6g n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3a6g s THR 88 N 3.27 1.53 0.14 12.58 2.01 -0.44 -4.96 115.64 129.78 3a6g s THR 88 Ca 0.88 -1.73 0.06 0.00 0.31 0.00 0.00 61.69 61.20 3a6g s THR 88 Cb -0.63 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3a6g s THR 88 CO 0.46 -0.54 0.03 -0.44 -0.69 0.00 0.00 174.62 173.43 3a6g s SER 89 N 1.30 5.05 0.30 3.53 0.01 -1.26 -4.39 113.70 118.24 3a6g s SER 89 Ca 0.08 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.11 3a6g s SER 89 Cb -0.18 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.83 3a6g s SER 89 CO -0.15 0.12 0.46 -0.76 0.41 0.00 0.00 173.24 173.32 3a6g s LEU 90 N -2.75 4.13 0.59 2.44 1.43 -0.10 -4.87 118.68 119.55 3a6g s LEU 90 Ca 0.28 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 3a6g s LEU 90 Cb -0.10 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 3a6g s LEU 90 CO 0.20 -0.22 1.03 -1.81 0.23 0.00 0.00 176.35 175.77 3a6g s ASP 91 N -4.03 6.07 0.24 2.29 1.01 -1.26 -3.58 116.67 117.41 3a6g s ASP 91 Ca 0.38 1.65 -0.05 0.00 0.71 0.00 0.00 52.55 55.24 3a6g s ASP 91 Cb -0.09 -2.51 0.38 0.00 1.01 0.00 0.00 42.92 41.70 3a6g s ASP 91 CO 0.33 -0.97 1.82 1.23 0.21 0.00 0.00 175.17 177.79 3a6g h GLY 92 N 0.32 1.28 1.68 0.21 0.00 -1.98 -2.09 103.07 102.49 3a6g h GLY 92 Ca -0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 3a6g h GLY 92 CO 0.59 0.17 0.17 0.00 0.00 0.00 0.00 176.54 177.47 3a6g h ALA 93 N 1.44 1.70 -0.23 3.60 0.00 -1.98 -1.07 119.26 122.71 3a6g h ALA 93 Ca 0.39 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3a6g h ALA 93 Cb 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a6g h ALA 93 CO -0.22 0.25 -0.16 1.15 0.00 0.00 0.00 179.25 180.27 3a6g h THR 94 N 0.44 1.31 -0.29 0.00 2.02 -1.76 -1.11 112.91 113.52 3a6g h THR 94 Ca 0.11 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 3a6g h THR 94 Cb 0.02 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3a6g h THR 94 CO -0.02 0.40 0.01 0.25 0.37 0.00 0.00 175.52 176.52 3a6g h LEU 95 N 0.21 0.50 -0.48 2.58 5.85 -1.30 -2.07 115.31 120.59 3a6g h LEU 95 Ca 0.04 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3a6g h LEU 95 Cb 0.69 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3a6g h LEU 95 CO 0.04 0.68 0.23 0.74 -0.34 0.00 0.00 178.44 179.79 3a6g h THR 96 N 0.31 0.93 -0.13 1.05 2.02 -1.19 -2.06 112.91 113.84 3a6g h THR 96 Ca 0.08 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 3a6g h THR 96 Cb 0.42 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3a6g h THR 96 CO 0.01 0.08 -0.14 1.23 0.37 0.00 0.00 175.52 177.07 3a6g h GLY 97 N 0.45 0.22 0.77 2.16 0.00 -1.09 -0.90 103.07 104.67 3a6g h GLY 97 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3a6g h GLY 97 CO -0.17 0.12 -0.10 -0.84 0.00 0.00 0.00 176.54 175.56 3a6g h THR 98 N 0.19 1.32 -0.37 4.70 2.02 -0.71 -0.66 112.91 119.39 3a6g h THR 98 Ca 0.04 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 3a6g h THR 98 Cb 0.37 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3a6g h THR 98 CO 0.02 0.35 0.15 0.58 0.37 0.00 0.00 175.52 176.99 3a6g h VAL 99 N 0.05 1.19 -0.27 3.16 2.07 -1.21 -2.16 116.25 119.07 3a6g h VAL 99 Ca 0.04 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3a6g h VAL 99 Cb 0.59 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3a6g h VAL 99 CO 0.03 0.21 0.06 -0.61 0.02 0.00 0.00 177.57 177.28 3a6g h GLN 100 N 0.45 0.16 -0.69 1.57 4.15 -1.12 -1.93 115.11 117.70 3a6g h GLN 100 Ca 0.12 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 3a6g h GLN 100 Cb 0.19 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 3a6g h GLN 100 CO -0.01 0.10 0.35 -0.44 -1.93 0.00 0.00 178.83 176.91 3a6g h ASP 101 N 0.16 0.88 -0.64 -0.69 3.32 -0.97 -1.96 116.42 116.52 3a6g h ASP 101 Ca 0.12 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3a6g h ASP 101 Cb 0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3a6g h ASP 101 CO -0.16 0.74 0.20 0.40 -1.72 0.00 0.00 179.24 178.70 3a6g h ILE 102 N 0.95 1.25 -0.69 0.35 2.04 -1.16 -1.55 117.51 118.70 3a6g h ILE 102 Ca 0.24 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 3a6g h ILE 102 Cb 0.08 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3a6g h ILE 102 CO -0.03 0.33 0.14 0.40 0.00 0.00 0.00 178.15 178.98 3a6g h ILE 103 N 0.93 1.26 -0.68 -0.67 2.04 -1.17 -0.36 117.51 118.86 3a6g h ILE 103 Ca 0.21 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3a6g h ILE 103 Cb 0.29 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3a6g h ILE 103 CO -0.01 0.38 0.44 -0.09 0.00 0.00 0.00 178.15 178.88 3a6g h ARG 104 N 1.04 0.89 -0.40 2.37 2.43 -1.07 -1.06 114.38 118.59 3a6g h ARG 104 Ca 0.21 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 3a6g h ARG 104 Cb 0.40 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3a6g h ARG 104 CO 0.01 0.60 -0.33 0.93 -1.51 0.00 0.00 179.97 179.67 3a6g h GLU 105 N 0.92 0.93 -0.63 0.20 4.39 -0.96 -2.05 114.58 117.37 3a6g h GLU 105 Ca 0.25 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 3a6g h GLU 105 Cb -0.09 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3a6g h GLU 105 CO -0.05 1.12 0.20 -0.07 -1.16 0.00 0.00 179.01 179.05 3a6g h LEU 106 N 0.75 0.88 -0.98 1.33 3.38 -0.82 -1.50 115.31 118.36 3a6g h LEU 106 Ca 0.07 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3a6g h LEU 106 Cb 0.92 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3a6g h LEU 106 CO 0.09 0.83 0.04 0.00 0.09 0.00 0.00 178.44 179.48 3a6g h ALA 107 N 1.29 1.16 -0.63 1.53 0.00 -1.05 -1.75 119.26 119.82 3a6g h ALA 107 Ca 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3a6g h ALA 107 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3a6g h ALA 107 CO -0.01 0.55 0.23 -0.09 0.00 0.00 0.00 179.25 179.93 3a6g h ARG 108 N 0.74 0.93 0.00 0.00 2.43 -0.59 -2.05 114.38 115.83 3a6g h ARG 108 Ca 0.15 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3a6g h ARG 108 Cb 0.39 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3a6g h ARG 108 CO 0.01 0.77 -0.21 0.45 -1.51 0.00 0.00 179.97 179.49 3a6g h HIS 109 N 0.91 0.00 0.00 2.20 3.86 -0.73 -3.46 115.15 117.93 3a6g h HIS 109 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3a6g h HIS 109 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3a6g h HIS 109 CO 0.01 0.21 0.00 0.41 0.86 0.00 0.00 177.93 179.42 3a6g n GLY 110 N -0.65 0.82 3.78 2.45 0.00 -0.77 -5.00 105.19 105.81 3a6g n GLY 110 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3a6g n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6g s ALA 111 N -2.00 2.65 0.00 4.61 0.00 -0.71 -4.97 121.76 121.35 3a6g s ALA 111 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3a6g s ALA 111 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3a6g s ALA 111 CO 0.00 -0.87 0.55 0.54 0.00 0.00 0.00 175.76 175.99 3a6g n ARG 112 N -1.61 0.00 -3.70 0.00 5.12 -1.26 -4.21 116.66 111.00 3a6g n ARG 112 Ca 0.11 -0.54 -0.20 0.00 -1.93 0.00 0.00 57.85 55.29 3a6g n ARG 112 Cb 0.51 -0.44 -0.18 0.00 -1.16 0.00 0.00 32.46 31.19 3a6g n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3a6g s ARG 113 N 0.00 0.03 -0.02 5.56 0.52 -1.26 -1.07 118.95 122.71 3a6g s ARG 113 Ca 0.00 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 3a6g s ARG 113 Cb 0.00 -0.56 0.01 0.00 0.52 0.00 0.00 34.95 34.92 3a6g s ARG 113 CO 0.00 -0.31 -0.03 -1.17 0.02 0.00 0.00 175.30 173.80 3a6g s LEU 114 N 2.06 1.69 -0.19 2.53 2.96 -0.84 -1.72 118.68 125.16 3a6g s LEU 114 Ca 0.04 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3a6g s LEU 114 Cb -0.12 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 3a6g s LEU 114 CO -0.03 -0.00 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.23 3a6g s VAL 115 N 0.34 3.19 -0.37 1.68 1.01 0.44 -0.67 120.40 126.03 3a6g s VAL 115 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 3a6g s VAL 115 Cb -0.07 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.91 3a6g s VAL 115 CO -0.00 0.46 0.22 -0.76 0.00 0.00 0.00 175.10 175.02 3a6g s LEU 116 N 1.18 4.66 -0.41 3.92 1.43 0.36 -0.39 118.68 129.44 3a6g s LEU 116 Ca 0.02 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 3a6g s LEU 116 Cb -0.14 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.05 3a6g s LEU 116 CO -0.02 -0.34 0.26 -0.32 0.23 0.00 0.00 176.35 176.16 3a6g s MET 117 N 1.62 2.82 0.16 1.70 1.75 -0.17 -1.59 119.30 125.59 3a6g s MET 117 Ca 0.04 -1.19 -0.20 0.00 -1.25 0.00 0.00 55.69 53.08 3a6g s MET 117 Cb -0.18 -3.85 -0.08 0.00 2.84 0.00 0.00 34.83 33.56 3a6g s MET 117 CO 0.08 -0.81 0.67 1.21 -0.65 0.00 0.00 175.02 175.52 3a6g s ASN 118 N 1.85 7.12 0.00 1.11 2.47 0.97 -1.07 114.94 127.38 3a6g s ASN 118 Ca 0.03 1.39 0.00 0.00 0.42 0.00 0.00 52.86 54.70 3a6g s ASN 118 Cb -0.21 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 3a6g s ASN 118 CO 0.06 0.16 0.36 0.61 -3.72 0.00 0.00 177.10 174.57 3a6g n GLY 119 N 1.24 -0.81 2.90 1.21 0.00 -0.22 -2.57 105.19 106.94 3a6g n GLY 119 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3a6g n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a6g s HIS 120 N -0.02 2.42 0.25 1.61 5.65 -1.25 -4.69 115.29 119.25 3a6g s HIS 120 Ca 0.00 -1.91 -0.11 0.00 0.25 0.00 0.00 55.06 53.29 3a6g s HIS 120 Cb 0.00 -1.79 0.37 0.00 -1.18 0.00 0.00 32.58 29.97 3a6g s HIS 120 CO 0.00 -0.81 1.50 0.98 -0.65 0.00 0.00 174.74 175.76 3a6g n TYR 121 N 4.66 0.23 0.31 3.88 9.36 -1.26 -0.76 117.16 133.58 3a6g n TYR 121 Ca -0.07 1.18 0.19 0.00 3.32 0.00 0.00 57.90 62.52 3a6g n TYR 121 Cb 0.43 -0.99 1.00 0.00 -0.63 0.00 0.00 39.34 39.16 3a6g n TYR 121 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3a6g h GLU 122 N 0.00 0.00 -0.09 2.98 3.07 -1.91 -2.73 114.58 115.90 3a6g h GLU 122 Ca 0.42 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.16 3a6g h GLU 122 Cb 0.66 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3a6g h GLU 122 CO -0.98 0.00 -0.48 -0.91 -1.40 0.00 0.00 179.01 175.24 3a6g h ASN 123 N 0.00 0.24 -0.02 1.42 2.35 -1.27 -3.41 115.58 114.89 3a6g h ASN 123 Ca 0.02 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3a6g h ASN 123 Cb 0.34 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3a6g h ASN 123 CO -0.00 0.68 -0.01 -1.20 -1.65 0.00 0.00 177.43 175.25 3a6g n SER 124 N -3.97 -0.03 0.24 5.81 7.64 -1.03 -1.23 113.62 121.05 3a6g n SER 124 Ca -0.02 0.36 0.10 0.00 1.01 0.00 0.00 58.87 60.33 3a6g n SER 124 Cb 0.53 -0.17 0.60 0.00 -1.01 0.00 0.00 64.21 64.16 3a6g n SER 124 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3a6g h MET 125 N 0.00 0.00 0.00 1.43 2.86 -1.86 -1.55 114.93 115.81 3a6g h MET 125 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 3a6g h MET 125 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3a6g h MET 125 CO -0.02 0.19 -0.70 0.74 1.06 0.00 0.00 176.91 178.18 3a6g h PHE 126 N 0.00 0.00 -0.20 -0.22 -1.00 -1.44 -1.29 116.94 112.79 3a6g h PHE 126 Ca -0.00 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 3a6g h PHE 126 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 3a6g h PHE 126 CO 0.00 0.70 -0.46 0.82 -1.61 0.00 0.00 178.31 177.76 3a6g h ILE 127 N 0.00 1.32 -0.46 -0.55 2.04 -0.84 -1.98 117.51 117.03 3a6g h ILE 127 Ca -0.01 -1.69 0.03 0.00 1.00 0.00 0.00 64.86 64.19 3a6g h ILE 127 Cb 1.44 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 3a6g h ILE 127 CO 0.09 0.53 0.25 0.58 0.00 0.00 0.00 178.15 179.60 3a6g h VAL 128 N 0.36 1.01 -0.54 1.67 2.07 -1.18 -0.61 116.25 119.03 3a6g h VAL 128 Ca -0.00 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 3a6g h VAL 128 Cb 1.07 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3a6g h VAL 128 CO 0.10 0.09 0.04 -0.08 0.02 0.00 0.00 177.57 177.75 3a6g h GLU 129 N 0.51 0.89 -0.81 1.57 4.57 -1.19 -1.08 114.58 119.03 3a6g h GLU 129 Ca 0.19 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3a6g h GLU 129 Cb 0.06 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 3a6g h GLU 129 CO -0.11 0.86 0.46 0.78 -1.18 0.00 0.00 179.01 179.82 3a6g h GLY 130 N 1.00 1.20 0.88 1.92 0.00 -0.77 -0.52 103.07 106.78 3a6g h GLY 130 Ca 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3a6g h GLY 130 CO 0.02 0.51 0.07 -2.22 0.00 0.00 0.00 176.54 174.92 3a6g h ILE 131 N 1.12 1.21 -0.35 2.60 2.04 -0.74 -1.67 117.51 121.73 3a6g h ILE 131 Ca 0.29 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3a6g h ILE 131 Cb 0.01 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3a6g h ILE 131 CO -0.05 0.22 0.19 -0.78 0.00 0.00 0.00 178.15 177.74 3a6g h ASP 132 N 0.25 0.44 -0.62 1.72 3.58 -0.87 -0.06 116.42 120.86 3a6g h ASP 132 Ca 0.08 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3a6g h ASP 132 Cb 0.28 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 3a6g h ASP 132 CO 0.00 0.40 0.10 -0.07 -2.88 0.00 0.00 179.24 176.79 3a6g h LEU 133 N 0.44 1.00 -0.32 2.28 3.38 -1.09 -1.23 115.31 119.78 3a6g h LEU 133 Ca 0.12 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3a6g h LEU 133 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3a6g h LEU 133 CO -0.02 1.00 0.02 0.00 0.09 0.00 0.00 178.44 179.53 3a6g h ALA 134 N 1.12 0.43 -0.06 1.53 0.00 -1.07 -2.26 119.26 118.94 3a6g h ALA 134 Ca 0.20 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3a6g h ALA 134 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3a6g h ALA 134 CO 0.01 0.16 -0.24 -0.07 0.00 0.00 0.00 179.25 179.12 3a6g h LEU 135 N 0.36 0.09 -0.12 0.00 3.38 -0.83 -0.08 115.31 118.11 3a6g h LEU 135 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3a6g h LEU 135 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3a6g h LEU 135 CO 0.01 0.34 0.03 -0.09 0.09 0.00 0.00 178.44 178.82 3a6g h ARG 136 N 0.09 0.20 -0.73 1.13 2.43 -1.02 -1.65 114.38 114.83 3a6g h ARG 136 Ca 0.02 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3a6g h ARG 136 Cb 0.47 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3a6g h ARG 136 CO 0.03 0.36 0.36 0.93 -1.51 0.00 0.00 179.97 180.14 3a6g h GLU 137 N 0.00 1.04 -0.90 0.20 5.08 -0.91 -2.17 114.58 116.93 3a6g h GLU 137 Ca 0.04 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3a6g h GLU 137 Cb 0.25 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3a6g h GLU 137 CO 0.00 0.81 0.59 -0.07 -1.00 0.00 0.00 179.01 179.34 3a6g h LEU 138 N 1.02 1.00 -0.80 1.33 3.38 -0.87 -0.73 115.31 119.64 3a6g h LEU 138 Ca 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3a6g h LEU 138 Cb 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3a6g h LEU 138 CO -0.03 0.70 0.42 -0.09 0.09 0.00 0.00 178.44 179.53 3a6g h ARG 139 N 1.17 1.13 0.00 1.13 2.43 -0.90 0.29 114.38 119.63 3a6g h ARG 139 Ca 0.34 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3a6g h ARG 139 Cb -0.06 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 3a6g h ARG 139 CO -0.10 0.85 -0.11 1.88 -1.51 0.00 0.00 179.97 180.98 3a6g h TYR 140 N 1.12 0.00 -0.15 2.20 0.05 -0.64 -0.51 116.97 119.04 3a6g h TYR 140 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 3a6g h TYR 140 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 3a6g h TYR 140 CO 0.01 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.23 3a6g n ALA 141 N -2.28 2.52 -0.89 3.88 0.00 -0.37 -4.92 120.51 118.45 3a6g n ALA 141 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3a6g n ALA 141 Cb 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3a6g n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a6g n GLY 142 N 1.17 0.48 3.23 0.00 0.00 -0.20 -5.05 105.19 104.82 3a6g n GLY 142 Ca 0.17 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 3a6g n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a6g s ILE 143 N -2.00 2.91 -0.02 -0.61 1.01 0.90 -4.94 121.20 118.44 3a6g s ILE 143 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.94 3a6g s ILE 143 Cb 0.00 -2.34 0.04 0.00 0.01 0.00 0.00 42.46 40.17 3a6g s ILE 143 CO 0.00 0.40 0.82 0.00 0.00 0.00 0.00 174.94 176.16 3a6g n GLN 144 N 4.72 0.95 -0.48 2.79 6.02 -1.26 -2.76 117.38 127.35 3a6g n GLN 144 Ca -0.19 -1.14 0.08 0.00 -0.01 0.00 0.00 57.00 55.75 3a6g n GLN 144 Cb 0.50 -0.76 0.27 0.00 1.02 0.00 0.00 30.24 31.27 3a6g n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3a6g n ASP 145 N -0.32 4.07 -4.67 1.08 5.75 -1.26 -4.93 116.55 116.27 3a6g n ASP 145 Ca 0.02 -2.81 -0.39 0.00 -0.01 0.00 0.00 54.79 51.60 3a6g n ASP 145 Cb 0.50 -0.52 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 3a6g n ASP 145 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3a6g s PHE 146 N -2.47 3.39 -0.07 2.11 2.19 -1.26 -4.87 117.98 117.00 3a6g s PHE 146 Ca 0.42 0.81 0.05 0.00 0.33 0.00 0.00 56.93 58.53 3a6g s PHE 146 Cb 0.32 -2.67 -0.01 0.00 -1.31 0.00 0.00 43.02 39.35 3a6g s PHE 146 CO 0.12 -0.07 -0.21 0.21 1.83 0.00 0.00 175.22 177.10 3a6g s LYS 147 N 1.52 2.70 -0.04 10.12 2.20 -0.23 -5.02 119.74 130.99 3a6g s LYS 147 Ca 0.25 -0.83 0.05 0.00 -0.36 0.00 0.00 55.97 55.08 3a6g s LYS 147 Cb -0.15 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 33.87 3a6g s LYS 147 CO 0.10 0.39 -0.20 0.08 -0.36 0.00 0.00 175.35 175.36 3a6g s VAL 148 N -0.17 1.67 -0.14 4.02 1.01 -1.26 -1.98 120.40 123.55 3a6g s VAL 148 Ca -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3a6g s VAL 148 Cb -0.14 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3a6g s VAL 148 CO 0.04 0.47 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 3a6g s VAL 149 N -0.14 2.61 -0.01 2.92 1.01 0.16 -4.99 120.40 121.96 3a6g s VAL 149 Ca -0.01 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3a6g s VAL 149 Cb -0.11 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3a6g s VAL 149 CO 0.02 0.53 -0.24 0.54 0.00 0.00 0.00 175.10 175.95 3a6g s VAL 150 N 0.64 1.89 0.17 2.92 0.11 -1.26 -0.49 120.40 124.38 3a6g s VAL 150 Ca -0.09 -1.05 -0.24 0.00 -2.93 0.00 0.00 61.98 57.67 3a6g s VAL 150 Cb -0.16 -1.57 0.06 0.00 -1.53 0.00 0.00 36.38 33.18 3a6g s VAL 150 CO 0.02 0.51 0.75 -1.48 -3.33 0.00 0.00 175.10 171.56 3a6g s LEU 151 N -0.64 -0.37 -0.19 2.54 0.05 -0.62 -4.96 118.68 114.49 3a6g s LEU 151 Ca 0.09 -0.26 -0.02 0.00 0.05 0.00 0.00 54.13 53.99 3a6g s LEU 151 Cb -0.09 2.47 -0.01 0.00 -2.05 0.00 0.00 46.19 46.51 3a6g s LEU 151 CO -0.01 -1.02 -0.08 -0.44 -0.55 0.00 0.00 176.35 174.25 3a6g s SER 152 N -2.79 4.12 0.43 1.48 0.01 -1.26 -0.02 113.70 115.66 3a6g s SER 152 Ca 0.07 -0.39 0.20 0.00 1.31 0.00 0.00 55.95 57.14 3a6g s SER 152 Cb -0.03 -1.68 1.15 0.00 0.21 0.00 0.00 66.02 65.67 3a6g s SER 152 CO -0.04 0.05 1.83 0.10 0.41 0.00 0.00 173.24 175.59 3a6g h TYR 153 N 7.60 0.51 0.00 2.43 -0.00 -1.85 -0.62 116.97 125.04 3a6g h TYR 153 Ca -0.37 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.38 3a6g h TYR 153 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 37.75 3a6g h TYR 153 CO 0.55 0.10 0.00 1.97 -0.00 0.00 0.00 178.16 180.77 3a6g n PHE 154 N -4.51 0.21 1.25 0.10 1.16 -1.26 -2.70 117.46 111.70 3a6g n PHE 154 Ca 0.22 0.08 0.13 0.00 -1.87 0.00 0.00 57.45 56.01 3a6g n PHE 154 Cb 0.81 -0.63 0.67 0.00 -1.61 0.00 0.00 39.48 38.72 3a6g n PHE 154 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3a6g n ASP 155 N -1.69 0.00 -0.51 5.98 8.00 -0.24 -3.23 116.55 124.86 3a6g n ASP 155 Ca 0.04 -0.07 0.13 0.00 0.71 0.00 0.00 54.79 55.60 3a6g n ASP 155 Cb 0.20 -0.30 0.47 0.00 -0.02 0.00 0.00 41.12 41.47 3a6g n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a6g n PHE 156 N -1.30 0.09 -3.34 1.24 3.01 -1.10 -4.43 117.46 111.63 3a6g n PHE 156 Ca 0.12 -0.04 -0.37 0.00 1.01 0.00 0.00 57.45 58.17 3a6g n PHE 156 Cb 0.22 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 3a6g n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3a6g n VAL 157 N 0.24 3.82 -0.06 -4.37 0.31 -1.20 -4.69 118.33 112.39 3a6g n VAL 157 Ca 0.18 -5.46 -0.06 0.00 -0.01 0.00 0.00 64.34 58.99 3a6g n VAL 157 Cb 0.35 -2.23 -0.09 0.00 -0.91 0.00 0.00 33.84 30.96 3a6g n VAL 157 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3a6g n LYS 158 N 1.64 2.06 -1.40 5.55 5.02 -1.26 -4.94 118.16 124.82 3a6g n LYS 158 Ca 0.25 0.00 -0.57 0.00 -2.02 0.00 0.00 58.31 55.98 3a6g n LYS 158 Cb 0.37 -1.29 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 3a6g n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3a6g n ASP 159 N -2.45 1.48 -0.28 4.39 2.03 -1.26 -4.79 116.55 115.67 3a6g n ASP 159 Ca -0.19 0.65 0.21 0.00 0.52 0.00 0.00 54.79 55.99 3a6g n ASP 159 Cb 0.86 -1.06 0.52 0.00 -0.72 0.00 0.00 41.12 40.72 3a6g n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a6g h PRO 160 N 9.83 0.37 -0.27 -0.67 0.11 -1.99 -0.36 132.00 139.02 3a6g h PRO 160 Ca -0.23 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.88 3a6g h PRO 160 Cb 1.37 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3a6g h PRO 160 CO 1.04 0.24 0.12 0.00 -0.21 0.00 0.00 178.00 179.20 3a6g h ALA 161 N 1.60 0.31 -0.64 -0.75 0.00 -2.01 -0.85 119.26 116.93 3a6g h ALA 161 Ca 0.52 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.37 3a6g h ALA 161 Cb 1.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3a6g h ALA 161 CO -0.21 -0.28 0.11 0.28 0.00 0.00 0.00 179.25 179.15 3a6g h VAL 162 N 0.26 1.26 -0.71 0.00 2.07 -1.46 -2.95 116.25 114.71 3a6g h VAL 162 Ca 0.11 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.68 3a6g h VAL 162 Cb 0.05 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3a6g h VAL 162 CO -0.09 0.38 0.41 0.40 0.02 0.00 0.00 177.57 178.69 3a6g h ILE 163 N 0.96 0.99 -0.77 4.57 2.04 -0.77 -1.49 117.51 123.05 3a6g h ILE 163 Ca 0.19 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3a6g h ILE 163 Cb 0.42 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 3a6g h ILE 163 CO 0.01 0.14 0.50 1.56 0.00 0.00 0.00 178.15 180.36 3a6g h GLN 164 N 0.76 0.83 -0.31 2.37 4.20 -1.00 0.14 115.11 122.10 3a6g h GLN 164 Ca 0.32 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 3a6g h GLN 164 Cb 0.18 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3a6g h GLN 164 CO -0.18 0.55 -0.01 1.96 -0.67 0.00 0.00 178.83 180.48 3a6g h GLN 165 N 0.85 0.55 -0.05 1.46 1.08 -1.24 -2.43 115.11 115.33 3a6g h GLN 165 Ca 0.32 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 57.20 3a6g h GLN 165 Cb 0.19 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3a6g h GLN 165 CO -0.11 0.70 -0.58 -0.07 -0.95 0.00 0.00 178.83 177.82 3a6g h LEU 166 N 0.34 0.20 -6.50 1.46 4.07 -0.86 -3.36 115.31 110.66 3a6g h LEU 166 Ca 0.09 -0.11 -0.60 0.00 0.08 0.00 0.00 57.88 57.34 3a6g h LEU 166 Cb 0.46 -0.06 -0.41 0.00 1.08 0.00 0.00 40.66 41.74 3a6g h LEU 166 CO 0.02 0.74 -0.76 -1.22 -1.08 0.00 0.00 178.44 176.13 3a6g n TYR 167 N -3.88 1.77 -0.18 1.13 4.02 0.41 -4.95 117.16 115.48 3a6g n TYR 167 Ca -0.02 -3.91 -0.02 0.00 -0.01 0.00 0.00 57.90 53.94 3a6g n TYR 167 Cb 0.60 -0.36 0.08 0.00 -0.02 0.00 0.00 39.34 39.64 3a6g n TYR 167 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3a6g h PRO 168 N 4.89 0.39 0.00 -0.72 0.11 -1.60 0.21 132.00 135.28 3a6g h PRO 168 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3a6g h PRO 168 Cb 0.79 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3a6g h PRO 168 CO 0.62 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 3a6g n GLU 169 N -4.98 0.01 0.00 1.05 4.71 -1.26 -5.05 120.64 115.12 3a6g n GLU 169 Ca 0.06 0.30 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 3a6g n GLU 169 Cb 0.22 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 3a6g n GLU 169 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a6g n GLY 170 N -0.22 -0.58 0.00 0.62 0.00 0.74 -5.24 105.19 100.51 3a6g n GLY 170 Ca 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3a6g n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3a6g n TRP 174 N 1.33 0.00 -0.37 1.61 8.01 -1.26 -5.06 117.44 121.70 3a6g n TRP 174 Ca 0.00 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.10 3a6g n TRP 174 Cb 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.33 3a6g n TRP 174 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3a6g n ASP 175 N -0.93 5.09 -0.18 -0.99 3.85 -1.26 -3.16 116.55 118.97 3a6g n ASP 175 Ca 0.00 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 51.39 3a6g n ASP 175 Cb 0.12 -0.92 0.00 0.00 -1.35 0.00 0.00 41.12 38.97 3a6g n ASP 175 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a6g n ILE 176 N 0.56 0.00 -1.14 2.12 3.06 -1.26 -4.89 119.36 117.80 3a6g n ILE 176 Ca 0.18 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 60.20 3a6g n ILE 176 Cb 0.64 0.00 0.01 0.00 0.54 0.00 0.00 39.64 40.84 3a6g n ILE 176 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3a6g n GLU 177 N 0.00 2.10 -3.44 9.51 -0.58 -1.19 -3.70 120.64 123.34 3a6g n GLU 177 Ca 0.00 -2.03 -0.41 0.00 -0.42 0.00 0.00 57.16 54.30 3a6g n GLU 177 Cb 0.44 -1.86 -0.10 0.00 -0.57 0.00 0.00 31.44 29.35 3a6g n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3a6g s HIS 178 N -2.06 3.22 -0.18 -0.32 5.65 -1.26 -4.17 115.29 116.16 3a6g s HIS 178 Ca 0.44 -0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.66 3a6g s HIS 178 Cb 0.32 -2.62 0.00 0.00 -1.18 0.00 0.00 32.58 29.10 3a6g s HIS 178 CO -0.08 -0.41 0.00 0.41 -0.65 0.00 0.00 174.74 174.01 3a6g n GLY 179 N 5.00 0.44 0.00 1.59 0.00 -1.26 -2.22 105.19 108.74 3a6g n GLY 179 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3a6g n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6g n GLY 180 N -1.50 1.35 0.22 -0.02 0.00 -1.26 -4.39 105.19 99.59 3a6g n GLY 180 Ca -0.02 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 3a6g n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3a6g h VAL 181 N 0.00 0.89 0.61 1.61 2.07 -1.85 -2.11 116.25 117.46 3a6g h VAL 181 Ca 0.00 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3a6g h VAL 181 Cb 0.00 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3a6g h VAL 181 CO 0.00 0.09 -0.39 0.15 0.02 0.00 0.00 177.57 177.44 3a6g h PHE 182 N 0.47 -1.04 -0.55 1.57 3.04 -1.94 0.03 116.94 118.53 3a6g h PHE 182 Ca 0.25 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.10 3a6g h PHE 182 Cb 0.22 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 39.08 3a6g h PHE 182 CO -0.12 -0.57 -0.04 0.93 -2.02 0.00 0.00 178.31 176.48 3a6g h GLU 183 N -0.94 0.99 -0.79 1.11 5.08 -1.83 -2.46 114.58 115.75 3a6g h GLU 183 Ca -0.08 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 3a6g h GLU 183 Cb 0.76 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3a6g h GLU 183 CO 0.07 1.01 0.37 1.15 -1.00 0.00 0.00 179.01 180.62 3a6g h THR 184 N 0.87 1.25 -0.45 1.13 2.02 -1.40 -0.82 112.91 115.52 3a6g h THR 184 Ca 0.15 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3a6g h THR 184 Cb 0.59 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3a6g h THR 184 CO 0.04 0.30 0.20 0.28 0.37 0.00 0.00 175.52 176.71 3a6g h SER 185 N 1.12 0.59 -0.70 4.18 0.02 -0.87 -0.76 113.55 117.12 3a6g h SER 185 Ca 0.27 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3a6g h SER 185 Cb 0.13 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3a6g h SER 185 CO -0.03 0.57 0.47 -0.07 -1.14 0.00 0.00 176.83 176.62 3a6g h LEU 186 N 0.58 0.80 -1.07 5.07 3.38 -1.07 -2.13 115.31 120.87 3a6g h LEU 186 Ca 0.15 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3a6g h LEU 186 Cb 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3a6g h LEU 186 CO -0.02 0.58 0.03 0.24 0.09 0.00 0.00 178.44 179.36 3a6g h MET 187 N 0.95 0.69 0.00 1.13 2.86 -0.79 -0.37 114.93 119.40 3a6g h MET 187 Ca 0.26 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3a6g h MET 187 Cb -0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3a6g h MET 187 CO -0.06 0.69 -0.27 -0.07 1.06 0.00 0.00 176.91 178.25 3a6g h LEU 188 N 0.65 0.00 0.00 1.22 3.38 -0.59 0.79 115.31 120.77 3a6g h LEU 188 Ca 0.14 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 3a6g h LEU 188 Cb 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3a6g h LEU 188 CO 0.01 0.27 -1.21 0.00 0.09 0.00 0.00 178.44 177.60 3a6g h ALA 189 N 1.73 0.55 0.00 1.53 0.00 -0.74 -3.35 119.26 118.97 3a6g h ALA 189 Ca -0.00 -1.04 -0.37 0.00 0.00 0.00 0.00 54.91 53.49 3a6g h ALA 189 Cb 0.52 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3a6g h ALA 189 CO 0.04 1.27 -2.26 1.28 0.00 0.00 0.00 179.25 179.58 3a6g n LEU 190 N -3.20 1.97 -3.16 0.00 4.77 -0.22 -4.84 117.00 112.32 3a6g n LEU 190 Ca -0.06 0.18 -0.22 0.00 -0.03 0.00 0.00 56.01 55.87 3a6g n LEU 190 Cb 0.95 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3a6g n LEU 190 CO 0.45 0.58 -0.12 -1.22 -1.33 0.00 0.00 177.39 175.75 3a6g n TYR 191 N -3.79 1.33 -0.05 -1.77 4.01 0.27 -4.95 117.16 112.21 3a6g n TYR 191 Ca -0.43 -3.84 0.21 0.00 -0.16 0.00 0.00 57.90 53.68 3a6g n TYR 191 Cb 0.84 -0.44 0.68 0.00 -0.31 0.00 0.00 39.34 40.12 3a6g n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3a6g h PRO 192 N 3.33 0.03 0.00 -0.72 0.13 -1.53 0.18 132.00 133.42 3a6g h PRO 192 Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a6g h PRO 192 Cb 0.81 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3a6g h PRO 192 CO 0.60 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 3a6g n ASP 193 N -4.37 0.59 -1.24 1.44 8.00 -1.26 -1.97 116.55 117.73 3a6g n ASP 193 Ca 0.12 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.39 3a6g n ASP 193 Cb 0.66 -0.77 0.27 0.00 -0.02 0.00 0.00 41.12 41.26 3a6g n ASP 193 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3a6g n LEU 194 N -2.16 3.70 -4.20 0.64 4.77 0.05 -4.89 117.00 114.92 3a6g n LEU 194 Ca 0.02 -1.75 -0.29 0.00 -0.03 0.00 0.00 56.01 53.96 3a6g n LEU 194 Cb 0.21 -0.36 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 3a6g n LEU 194 CO 0.18 0.86 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.88 3a6g s VAL 195 N -1.24 1.75 -0.56 4.08 1.01 -0.83 -3.23 120.40 121.39 3a6g s VAL 195 Ca 0.43 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3a6g s VAL 195 Cb 0.24 -1.50 0.16 0.00 0.00 0.00 0.00 36.38 35.28 3a6g s VAL 195 CO 0.32 0.49 0.38 -1.81 0.00 0.00 0.00 175.10 174.48 3a6g s ASP 196 N -0.01 3.71 0.57 3.32 1.01 0.04 -4.96 116.67 120.34 3a6g s ASP 196 Ca -0.05 -3.30 0.27 0.00 0.71 0.00 0.00 52.55 50.18 3a6g s ASP 196 Cb -0.13 -1.21 1.50 0.00 1.01 0.00 0.00 42.92 44.09 3a6g s ASP 196 CO 0.03 -0.16 2.00 -0.07 0.21 0.00 0.00 175.17 177.18 3a6g h LEU 197 N 5.88 0.00 -0.15 1.23 3.38 -1.96 -0.97 115.31 122.73 3a6g h LEU 197 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3a6g h LEU 197 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3a6g h LEU 197 CO 0.58 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.58 3a6g n ASP 198 N -4.00 0.11 -0.36 -0.43 8.00 -1.26 -1.81 116.55 116.80 3a6g n ASP 198 Ca 0.07 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.22 3a6g n ASP 198 Cb 0.54 -0.55 0.17 0.00 -0.02 0.00 0.00 41.12 41.26 3a6g n ASP 198 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a6g n ARG 199 N -1.63 0.99 -1.72 -1.24 1.74 -0.37 -4.96 116.66 109.47 3a6g n ARG 199 Ca 0.03 -0.72 -0.43 0.00 -0.77 0.00 0.00 57.85 55.95 3a6g n ARG 199 Cb 0.14 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 3a6g n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3a6g n VAL 200 N -0.37 0.86 -3.51 1.55 0.31 -0.75 -4.38 118.33 112.04 3a6g n VAL 200 Ca 0.10 -0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 3a6g n VAL 200 Cb 0.41 -1.83 -0.10 0.00 -0.91 0.00 0.00 33.84 31.40 3a6g n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3a6g s VAL 201 N 0.14 4.99 -1.14 2.52 1.01 -1.26 -5.02 120.40 121.64 3a6g s VAL 201 Ca 0.67 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 3a6g s VAL 201 Cb -0.54 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.10 3a6g s VAL 201 CO 0.47 -0.31 1.55 -0.62 0.00 0.00 0.00 175.10 176.18 3a6g s ASP 202 N 1.71 6.68 0.31 3.32 2.15 -1.26 -4.71 116.67 124.88 3a6g s ASP 202 Ca 0.04 -1.99 0.08 0.00 0.43 0.00 0.00 52.55 51.11 3a6g s ASP 202 Cb -0.20 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 3a6g s ASP 202 CO 0.08 -1.29 0.12 -1.38 -0.17 0.00 0.00 175.17 172.53 3a6g s HIS 203 N 4.31 2.75 0.67 -5.34 -3.43 -1.26 -5.05 115.29 107.94 3a6g s HIS 203 Ca 0.48 -0.32 -0.16 0.00 -0.80 0.00 0.00 55.06 54.27 3a6g s HIS 203 Cb 0.01 -1.52 0.00 0.00 -1.43 0.00 0.00 32.58 29.65 3a6g s HIS 203 CO -0.02 0.42 1.16 -2.14 -2.00 0.00 0.00 174.74 172.15 3a6g s PRO 204 N -3.81 2.63 0.35 -0.38 0.02 -1.26 -4.00 135.00 128.56 3a6g s PRO 204 Ca 0.36 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 3a6g s PRO 204 Cb -0.04 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.45 3a6g s PRO 204 CO 0.22 -1.42 1.46 -2.30 -0.33 0.00 0.00 177.00 174.63 3a6g n PRO 205 N -2.32 2.52 -2.34 5.54 -0.02 -1.26 -4.80 135.00 132.32 3a6g n PRO 205 Ca 0.12 0.89 -0.39 0.00 -2.02 0.00 0.00 63.50 62.09 3a6g n PRO 205 Cb 0.51 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3a6g n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6g s ALA 206 N -0.86 3.33 0.01 3.55 0.00 -0.17 -5.02 121.76 122.59 3a6g s ALA 206 Ca 0.56 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.57 3a6g s ALA 206 Cb -0.51 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 3a6g s ALA 206 CO 0.60 -0.39 -0.18 0.95 0.00 0.00 0.00 175.76 176.74 3a6g s THR 207 N -1.27 1.43 0.06 0.00 -4.23 -1.26 -5.01 115.64 105.37 3a6g s THR 207 Ca 0.50 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 60.15 3a6g s THR 207 Cb -0.33 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 3a6g s THR 207 CO 0.42 0.30 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.36 3a6g s PHE 208 N -0.56 0.83 0.86 3.99 0.40 -1.26 -5.10 117.98 117.14 3a6g s PHE 208 Ca 0.06 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.68 3a6g s PHE 208 Cb -0.07 -0.48 0.10 0.00 0.51 0.00 0.00 43.02 43.08 3a6g s PHE 208 CO 0.00 -0.07 1.11 -1.25 0.70 0.00 0.00 175.22 175.72 3a6g s PRO 209 N -2.20 1.60 0.00 0.24 0.04 -1.26 -4.88 135.00 128.54 3a6g s PRO 209 Ca -0.03 0.50 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 3a6g s PRO 209 Cb -0.06 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 3a6g s PRO 209 CO -0.00 -1.93 1.87 -0.35 0.04 0.00 0.00 177.00 176.63 3a6g n PRO 210 N -3.62 0.95 -3.82 0.56 -0.04 -1.26 -4.78 135.00 122.99 3a6g n PRO 210 Ca 0.07 -0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 63.18 3a6g n PRO 210 Cb 0.57 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 3a6g n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3a6g s TYR 211 N 1.11 -0.10 0.10 0.54 -0.85 -1.26 -5.18 117.35 111.71 3a6g s TYR 211 Ca 0.19 -0.35 0.09 0.00 -0.52 0.00 0.00 57.07 56.49 3a6g s TYR 211 Cb 0.09 0.71 -0.04 0.00 0.38 0.00 0.00 41.96 43.11 3a6g s TYR 211 CO 0.00 -1.16 -0.24 0.34 -1.52 0.00 0.00 175.55 172.97 3a6g s ASP 212 N -2.99 2.94 -0.06 -0.18 -1.08 -1.26 -5.10 116.67 108.95 3a6g s ASP 212 Ca 0.13 -0.68 0.05 0.00 -0.52 0.00 0.00 52.55 51.52 3a6g s ASP 212 Cb -0.04 -0.20 -0.01 0.00 -1.46 0.00 0.00 42.92 41.21 3a6g s ASP 212 CO 0.06 0.15 -0.22 -0.69 0.52 0.00 0.00 175.17 174.99 3a6g s VAL 213 N -1.04 1.79 0.00 1.11 1.01 -1.26 -5.13 120.40 116.89 3a6g s VAL 213 Ca 0.10 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3a6g s VAL 213 Cb -0.10 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3a6g s VAL 213 CO 0.04 0.50 -0.08 -0.36 0.00 0.00 0.00 175.10 175.21 3a6g s PHE 214 N -0.00 0.68 0.71 5.22 0.08 -1.26 -3.82 117.98 119.59 3a6g s PHE 214 Ca -0.06 -0.18 -0.16 0.00 0.12 0.00 0.00 56.93 56.65 3a6g s PHE 214 Cb -0.14 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 3a6g s PHE 214 CO 0.04 -0.02 1.26 -2.14 -0.10 0.00 0.00 175.22 174.26 3a6g s PRO 215 N -0.38 2.20 0.17 0.24 0.02 -1.26 -5.06 135.00 130.93 3a6g s PRO 215 Ca 0.01 1.94 -0.33 0.00 0.02 0.00 0.00 61.00 62.64 3a6g s PRO 215 Cb -0.04 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.52 3a6g s PRO 215 CO -0.00 -1.83 1.56 1.55 -0.33 0.00 0.00 177.00 177.94 3a6g n VAL 216 N -2.44 0.13 -3.16 3.83 3.14 -1.25 -4.93 118.33 113.65 3a6g n VAL 216 Ca 0.15 -0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 61.06 3a6g n VAL 216 Cb 0.49 -1.54 -0.07 0.00 -1.06 0.00 0.00 33.84 31.67 3a6g n VAL 216 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3a6g s ASP 217 N 0.83 6.26 0.45 6.55 -1.08 -1.26 -4.95 116.67 123.47 3a6g s ASP 217 Ca 0.77 -0.65 0.22 0.00 -0.52 0.00 0.00 52.55 52.38 3a6g s ASP 217 Cb -0.67 -2.29 1.21 0.00 -1.46 0.00 0.00 42.92 39.71 3a6g s ASP 217 CO 0.39 -0.81 1.85 -0.65 0.52 0.00 0.00 175.17 176.47 3a6g h PRO 218 N 8.92 0.27 0.00 4.34 0.11 -1.95 -1.11 132.00 142.58 3a6g h PRO 218 Ca -0.26 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a6g h PRO 218 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3a6g h PRO 218 CO 0.91 0.18 -0.01 0.00 -0.21 0.00 0.00 178.00 178.87 3a6g h ALA 219 N 1.59 1.14 -0.03 -0.75 0.00 -2.01 -2.34 119.26 116.86 3a6g h ALA 219 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3a6g h ALA 219 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3a6g h ALA 219 CO -0.14 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.66 3a6g n ARG 220 N -3.30 1.52 -5.00 0.00 1.74 -0.42 -4.81 116.66 106.40 3a6g n ARG 220 Ca -0.03 -0.75 -0.32 0.00 -0.77 0.00 0.00 57.85 55.98 3a6g n ARG 220 Cb 0.10 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 29.93 3a6g n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a6g s THR 221 N -1.98 2.74 0.32 0.55 2.01 -0.88 -4.95 115.64 113.44 3a6g s THR 221 Ca 0.39 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 3a6g s THR 221 Cb 0.21 -2.06 -0.12 0.00 0.01 0.00 0.00 72.50 70.53 3a6g s THR 221 CO 0.33 0.57 1.34 -2.65 -0.69 0.00 0.00 174.62 173.53 3a6g n PRO 222 N 2.66 2.17 -0.30 4.92 -0.02 -1.26 -4.87 135.00 138.29 3a6g n PRO 222 Ca -0.17 0.76 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3a6g n PRO 222 Cb 0.52 -2.38 0.26 0.00 -0.02 0.00 0.00 33.50 31.88 3a6g n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6g h ALA 223 N 3.07 1.14 0.00 3.55 0.00 -1.91 0.78 119.26 125.89 3a6g h ALA 223 Ca -0.46 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3a6g h ALA 223 Cb 1.28 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3a6g h ALA 223 CO 0.66 -0.50 0.00 -1.35 0.00 0.00 0.00 179.25 178.06 3a6g h PRO 224 N 0.11 0.00 0.00 0.00 0.11 -1.97 -3.46 132.00 126.79 3a6g h PRO 224 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3a6g h PRO 224 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a6g h PRO 224 CO -0.75 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.45 3a6g n GLY 225 N -0.53 0.77 3.85 -0.55 0.00 0.27 -3.69 105.19 105.31 3a6g n GLY 225 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3a6g n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a6g s THR 226 N -2.21 4.69 -0.66 2.61 -4.23 -1.26 -4.54 115.64 110.04 3a6g s THR 226 Ca 0.00 0.95 0.23 0.00 -1.18 0.00 0.00 61.69 61.70 3a6g s THR 226 Cb 0.00 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 3a6g s THR 226 CO 0.00 -0.10 1.16 0.18 -0.54 0.00 0.00 174.62 175.32 3a6g n LEU 227 N -0.14 0.64 -3.46 4.79 4.32 -0.94 -4.31 117.00 117.90 3a6g n LEU 227 Ca 0.02 0.06 -0.13 0.00 -0.02 0.00 0.00 56.01 55.94 3a6g n LEU 227 Cb 0.53 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 3a6g n LEU 227 CO 0.42 0.02 0.38 -0.94 -1.22 0.00 0.00 177.39 176.05 3a6g s SER 228 N -3.94 -0.55 0.22 -1.43 1.04 -1.24 -1.00 113.70 106.79 3a6g s SER 228 Ca 0.05 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 3a6g s SER 228 Cb 0.14 0.58 -0.08 0.00 0.10 0.00 0.00 66.02 66.76 3a6g s SER 228 CO 0.77 -0.90 1.14 -0.55 0.98 0.00 0.00 173.24 174.68 3a6g s SER 229 N -2.49 7.19 -0.14 7.02 0.15 -1.26 -4.11 113.70 120.07 3a6g s SER 229 Ca -0.01 2.21 0.18 0.00 0.70 0.00 0.00 55.95 59.03 3a6g s SER 229 Cb -0.01 -2.61 0.75 0.00 -1.71 0.00 0.00 66.02 62.44 3a6g s SER 229 CO -0.09 -0.26 1.66 0.00 1.20 0.00 0.00 173.24 175.75 3a6g n ALA 230 N 2.01 3.24 -0.29 5.45 0.00 -1.26 -3.86 120.51 125.81 3a6g n ALA 230 Ca 0.02 -1.67 0.14 0.00 0.00 0.00 0.00 53.44 51.93 3a6g n ALA 230 Cb 0.45 -1.03 0.40 0.00 0.00 0.00 0.00 19.45 19.27 3a6g n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3a6g h LYS 231 N 4.09 0.62 -0.66 0.00 3.64 -1.92 -1.07 116.57 121.27 3a6g h LYS 231 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3a6g h LYS 231 Cb 1.56 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3a6g h LYS 231 CO 0.28 0.41 0.00 0.25 -2.27 0.00 0.00 179.45 178.12 3a6g n THR 232 N -4.60 1.70 -2.19 1.00 -2.24 -1.26 -4.95 114.28 101.74 3a6g n THR 232 Ca 0.20 -0.95 -0.33 0.00 -2.27 0.00 0.00 64.05 60.70 3a6g n THR 232 Cb 0.56 -0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3a6g n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a6g s ALA 233 N -2.04 2.78 0.15 6.98 0.00 -0.41 -5.04 121.76 124.18 3a6g s ALA 233 Ca 0.39 0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.59 3a6g s ALA 233 Cb 0.28 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 20.22 3a6g s ALA 233 CO 0.15 -0.67 0.54 -1.54 0.00 0.00 0.00 175.76 174.24 3a6g s SER 234 N -2.56 -0.46 0.26 0.00 1.04 -1.26 -4.94 113.70 105.78 3a6g s SER 234 Ca 0.65 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.95 3a6g s SER 234 Cb -0.16 0.56 0.34 0.00 0.10 0.00 0.00 66.02 66.86 3a6g s SER 234 CO 0.32 -0.93 1.80 -0.09 0.98 0.00 0.00 173.24 175.32 3a6g h ARG 235 N 2.12 0.89 -0.51 4.02 2.43 -1.85 -1.93 114.38 119.54 3a6g h ARG 235 Ca -0.34 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 3a6g h ARG 235 Cb 1.29 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 3a6g h ARG 235 CO 0.41 0.80 0.29 0.93 -1.51 0.00 0.00 179.97 180.89 3a6g h GLU 236 N 0.85 0.56 -0.46 0.20 3.07 -1.95 -0.27 114.58 116.58 3a6g h GLU 236 Ca 0.18 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 3a6g h GLU 236 Cb 0.32 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3a6g h GLU 236 CO -0.00 0.37 -0.07 0.87 -1.40 0.00 0.00 179.01 178.78 3a6g h LYS 237 N 0.58 0.81 -0.31 2.33 1.57 -1.83 -2.54 116.57 117.19 3a6g h LYS 237 Ca 0.21 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3a6g h LYS 237 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3a6g h LYS 237 CO -0.11 0.86 -0.18 0.78 -0.57 0.00 0.00 179.45 180.23 3a6g h GLY 238 N 0.98 0.61 1.45 3.86 0.00 -0.68 -1.20 103.07 108.09 3a6g h GLY 238 Ca 0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3a6g h GLY 238 CO 0.03 0.43 -0.33 0.83 0.00 0.00 0.00 176.54 177.50 3a6g h GLU 239 N 0.51 0.62 -0.12 4.80 5.08 -0.86 0.25 114.58 124.86 3a6g h GLU 239 Ca 0.08 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3a6g h GLU 239 Cb 0.60 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3a6g h GLU 239 CO 0.04 0.86 -0.01 1.25 -1.00 0.00 0.00 179.01 180.15 3a6g h LEU 240 N 0.53 0.22 -0.21 1.33 5.85 -1.12 -1.71 115.31 120.19 3a6g h LEU 240 Ca 0.06 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.47 3a6g h LEU 240 Cb 0.82 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3a6g h LEU 240 CO 0.07 0.49 0.06 0.40 -0.34 0.00 0.00 178.44 179.13 3a6g h ILE 241 N -0.07 0.93 -0.42 4.05 2.04 -1.08 -1.70 117.51 121.27 3a6g h ILE 241 Ca 0.03 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3a6g h ILE 241 Cb 0.39 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3a6g h ILE 241 CO 0.01 0.03 0.17 0.25 0.00 0.00 0.00 178.15 178.61 3a6g h LEU 242 N 0.16 0.21 -0.64 1.44 5.85 -0.90 -0.70 115.31 120.74 3a6g h LEU 242 Ca 0.09 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3a6g h LEU 242 Cb 0.07 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3a6g h LEU 242 CO -0.10 0.16 0.30 -0.33 -0.34 0.00 0.00 178.44 178.13 3a6g h GLU 243 N 0.35 0.92 -0.26 1.25 5.08 -1.06 -0.98 114.58 119.89 3a6g h GLU 243 Ca 0.19 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3a6g h GLU 243 Cb 0.15 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3a6g h GLU 243 CO -0.17 0.74 0.06 0.28 -1.00 0.00 0.00 179.01 178.92 3a6g h VAL 244 N 0.88 1.22 0.06 3.13 2.07 -0.91 -1.81 116.25 120.90 3a6g h VAL 244 Ca 0.22 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3a6g h VAL 244 Cb 0.13 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3a6g h VAL 244 CO -0.03 0.24 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 3a6g h VAL 246 N -0.30 1.08 -0.10 0.00 2.07 -1.22 0.36 116.25 118.14 3a6g h VAL 246 Ca -0.01 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3a6g h VAL 246 Cb 0.26 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3a6g h VAL 246 CO 0.01 0.09 0.04 -0.61 0.02 0.00 0.00 177.57 177.13 3a6g h GLN 247 N 0.52 0.14 -0.20 1.57 5.75 -1.32 -0.34 115.11 121.23 3a6g h GLN 247 Ca 0.15 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3a6g h GLN 247 Cb -0.03 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3a6g h GLN 247 CO -0.05 0.24 0.12 0.78 -2.65 0.00 0.00 178.83 177.27 3a6g h GLY 248 N 0.01 0.29 0.98 2.39 0.00 -0.94 -1.59 103.07 104.21 3a6g h GLY 248 Ca 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3a6g h GLY 248 CO -0.00 0.12 0.06 -2.22 0.00 0.00 0.00 176.54 174.50 3a6g h ILE 249 N 0.24 1.25 -0.78 2.60 2.04 -0.89 -1.42 117.51 120.54 3a6g h ILE 249 Ca 0.07 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 65.01 3a6g h ILE 249 Cb 0.03 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3a6g h ILE 249 CO -0.01 0.33 0.50 0.00 0.00 0.00 0.00 178.15 178.97 3a6g h ALA 250 N 0.95 1.03 -0.54 1.87 0.00 -0.96 -1.08 119.26 120.53 3a6g h ALA 250 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3a6g h ALA 250 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3a6g h ALA 250 CO 0.01 0.31 0.18 -0.44 0.00 0.00 0.00 179.25 179.31 3a6g h ASP 251 N 0.97 0.77 -0.65 0.00 3.32 -1.01 -1.61 116.42 118.22 3a6g h ASP 251 Ca 0.31 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3a6g h ASP 251 Cb 0.01 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3a6g h ASP 251 CO -0.11 0.76 0.39 0.00 -1.72 0.00 0.00 179.24 178.56 3a6g h ALA 252 N 1.04 0.82 -0.50 3.45 0.00 -0.72 -1.40 119.26 121.96 3a6g h ALA 252 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3a6g h ALA 252 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a6g h ALA 252 CO -0.01 0.30 0.09 0.82 0.00 0.00 0.00 179.25 180.45 3a6g h ILE 253 N 0.88 1.25 -0.45 0.00 1.08 -1.02 0.38 117.51 119.63 3a6g h ILE 253 Ca 0.23 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 3a6g h ILE 253 Cb -0.03 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3a6g h ILE 253 CO -0.04 0.33 0.23 0.03 -0.69 0.00 0.00 178.15 178.00 3a6g h ARG 254 N 0.70 0.61 -0.11 2.37 3.08 -1.05 0.56 114.38 120.54 3a6g h ARG 254 Ca 0.15 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 3a6g h ARG 254 Cb 0.38 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3a6g h ARG 254 CO 0.01 0.46 -0.24 1.49 -1.07 0.00 0.00 179.97 180.62 3a6g h GLU 255 N 0.62 0.36 0.00 0.04 4.57 -0.71 -3.18 114.58 116.28 3a6g h GLU 255 Ca 0.16 -0.24 -0.23 0.00 -1.18 0.00 0.00 59.36 57.87 3a6g h GLU 255 Cb 0.04 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3a6g h GLU 255 CO -0.02 0.84 -1.19 0.93 -1.18 0.00 0.00 179.01 178.38 3a6g h GLU 256 N -0.08 0.00 -2.16 1.92 4.39 -0.65 -3.39 114.58 114.61 3a6g h GLU 256 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 3a6g h GLU 256 Cb 0.84 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.08 3a6g h GLU 256 CO 0.05 0.85 -0.75 1.19 -1.16 0.00 0.00 179.01 179.19 3a6g n PHE 257 N -3.26 2.36 -2.26 4.33 3.72 0.19 -5.08 117.46 117.46 3a6g n PHE 257 Ca -0.05 -3.97 -0.36 0.00 -0.05 0.00 0.00 57.45 53.03 3a6g n PHE 257 Cb 0.97 -0.49 -0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3a6g n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3a6g s PRO 258 N -2.03 3.46 0.00 -1.08 0.04 -1.20 -4.63 135.00 129.55 3a6g s PRO 258 Ca 0.38 1.65 0.10 0.00 0.04 0.00 0.00 61.00 63.17 3a6g s PRO 258 Cb 0.15 -2.10 0.57 0.00 0.04 0.00 0.00 34.50 33.16 3a6g s PRO 258 CO -0.05 -0.77 1.02 -0.35 0.04 0.00 0.00 177.00 176.89