#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6g s SER 4 N 0.00 5.62 0.00 -5.58 0.15 -1.26 -4.96 113.70 107.67 3a6g s SER 4 Ca 0.00 1.83 0.24 0.00 0.70 0.00 0.00 55.95 58.72 3a6g s SER 4 Cb 0.00 -2.53 0.37 0.00 -1.71 0.00 0.00 66.02 62.15 3a6g s SER 4 CO 0.00 -1.28 1.32 1.33 1.20 0.00 0.00 173.24 175.81 3a6g n VAL 5 N -2.22 0.00 -3.00 4.45 0.24 -1.26 -4.87 118.33 111.67 3a6g n VAL 5 Ca 0.09 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.34 61.91 3a6g n VAL 5 Cb 0.53 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.42 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 -2.79 3.33 0.27 6.34 0.40 -1.26 0.28 117.98 124.55 3a6g s PHE 6 Ca 0.15 1.01 -0.00 0.00 -0.60 0.00 0.00 56.93 57.49 3a6g s PHE 6 Cb 0.18 -2.93 0.50 0.00 0.51 0.00 0.00 43.02 41.28 3a6g s PHE 6 CO 0.66 -0.31 1.83 0.28 0.70 0.00 0.00 175.22 178.38 3a6g h VAL 7 N 5.35 0.93 0.00 -0.44 2.07 -1.33 -0.39 116.25 122.44 3a6g h VAL 7 Ca -0.27 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3a6g h VAL 7 Cb 1.12 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3a6g h VAL 7 CO 0.82 0.18 -0.01 1.23 0.02 0.00 0.00 177.57 179.80 3a6g h GLY 8 N 0.96 0.00 -1.36 2.17 0.00 -1.93 -1.38 103.07 101.54 3a6g h GLY 8 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3a6g h GLY 8 CO -0.25 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.47 3a6g n GLU 9 N -3.46 2.05 -4.00 4.80 1.02 -0.16 -4.93 120.64 115.96 3a6g n GLU 9 Ca -0.03 -1.55 -0.25 0.00 -0.02 0.00 0.00 57.16 55.32 3a6g n GLU 9 Cb 0.10 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.80 4.16 0.57 -4.62 1.43 -0.52 -4.90 118.68 113.00 3a6g s LEU 10 Ca 0.34 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 3a6g s LEU 10 Cb 0.20 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3a6g s LEU 10 CO 0.30 0.02 0.92 0.42 0.23 0.00 0.00 176.35 178.25 3a6g s THR 11 N -1.84 4.51 0.48 5.49 -4.23 -1.26 -4.91 115.64 113.88 3a6g s THR 11 Ca 0.33 0.44 0.19 0.00 -1.18 0.00 0.00 61.69 61.48 3a6g s THR 11 Cb -0.10 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.22 3a6g s THR 11 CO 0.27 -0.88 2.08 4.11 -0.54 0.00 0.00 174.62 179.66 3a6g h TRP 12 N -0.12 0.00 -0.52 3.99 5.08 -1.99 -2.01 115.95 120.38 3a6g h TRP 12 Ca -0.45 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.44 3a6g h TRP 12 Cb 1.21 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.35 3a6g h TRP 12 CO 0.59 0.11 0.02 -0.22 -1.28 0.00 0.00 178.44 177.65 3a6g h LYS 13 N 0.00 0.91 -0.42 0.12 1.63 -1.99 0.46 116.57 117.28 3a6g h LYS 13 Ca -0.00 -0.28 -0.10 0.00 -0.85 0.00 0.00 60.65 59.42 3a6g h LYS 13 Cb 0.21 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3a6g h LYS 13 CO 0.01 0.92 -0.11 0.93 -3.45 0.00 0.00 179.45 177.76 3a6g h GLU 14 N 0.78 0.81 0.01 1.90 5.08 -1.78 -2.30 114.58 119.08 3a6g h GLU 14 Ca 0.15 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3a6g h GLU 14 Cb 0.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3a6g h GLU 14 CO 0.02 0.94 -0.01 -0.92 -1.00 0.00 0.00 179.01 178.05 3a6g h TYR 15 N 0.63 -0.02 -0.86 4.33 3.20 -1.22 -2.40 116.97 120.64 3a6g h TYR 15 Ca 0.10 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.07 3a6g h TYR 15 Cb 0.64 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.84 3a6g h TYR 15 CO 0.05 0.06 0.50 1.49 -1.64 0.00 0.00 178.16 178.62 3a6g h GLU 16 N -0.09 0.80 -0.36 1.82 4.81 -0.86 -1.50 114.58 119.20 3a6g h GLU 16 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3a6g h GLU 16 Cb 0.09 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3a6g h GLU 16 CO 0.00 0.53 0.19 0.00 -0.73 0.00 0.00 179.01 179.01 3a6g h ALA 17 N 1.47 0.47 -0.56 2.92 0.00 -1.18 0.12 119.26 122.49 3a6g h ALA 17 Ca 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3a6g h ALA 17 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3a6g h ALA 17 CO -0.25 -0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.28 3a6g h ARG 18 N 0.46 0.80 -0.22 0.00 2.47 -0.90 -2.37 114.38 114.62 3a6g h ARG 18 Ca 0.13 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 3a6g h ARG 18 Cb 0.07 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3a6g h ARG 18 CO -0.02 0.65 -0.33 0.28 0.56 0.00 0.00 179.97 181.11 3a6g h VAL 19 N 0.76 1.28 -0.10 2.04 2.07 -1.10 -2.51 116.25 118.68 3a6g h VAL 19 Ca 0.19 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3a6g h VAL 19 Cb 0.10 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3a6g h VAL 19 CO -0.03 0.44 0.14 0.00 0.02 0.00 0.00 177.57 178.14 3a6g h ALA 20 N 1.26 1.62 -0.84 1.67 0.00 -0.24 -0.90 119.26 121.82 3a6g h ALA 20 Ca 0.05 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3a6g h ALA 20 Cb 0.77 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3a6g h ALA 20 CO 0.06 -0.19 0.55 0.00 0.00 0.00 0.00 179.25 179.67 3a6g h ALA 21 N 1.83 1.89 0.00 0.00 0.00 -1.23 -3.46 119.26 118.29 3a6g h ALA 21 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a6g h ALA 21 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3a6g h ALA 21 CO -0.00 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 3a6g n GLY 22 N -1.46 3.17 0.21 0.00 0.00 -0.34 -4.88 105.19 101.89 3a6g n GLY 22 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 1.84 -4.73 1.61 5.75 -1.26 -4.96 116.55 114.80 3a6g n ASP 23 Ca 0.00 -2.92 -0.42 0.00 -0.01 0.00 0.00 54.79 51.44 3a6g n ASP 23 Cb 0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.71 4.78 0.07 0.00 1.01 -1.26 -4.23 120.40 121.49 3a6g s VAL 25 Ca 0.67 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.66 3a6g s VAL 25 Cb -0.44 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3a6g s VAL 25 CO 0.36 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 175.16 3a6g s LEU 26 N 0.23 3.36 -0.03 3.92 1.43 -0.58 -1.78 118.68 125.24 3a6g s LEU 26 Ca 0.04 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3a6g s LEU 26 Cb -0.12 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3a6g s LEU 26 CO 0.00 0.20 -0.16 -0.04 0.23 0.00 0.00 176.35 176.59 3a6g s MET 27 N -2.11 1.50 -0.25 1.70 -1.94 0.26 -0.31 119.30 118.15 3a6g s MET 27 Ca 0.23 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 3a6g s MET 27 Cb -0.11 -1.36 0.07 0.00 2.01 0.00 0.00 34.83 35.43 3a6g s MET 27 CO 0.15 0.26 -0.03 -1.17 -0.01 0.00 0.00 175.02 174.23 3a6g s LEU 28 N -0.07 2.71 0.20 -0.03 2.96 0.67 -0.21 118.68 124.90 3a6g s LEU 28 Ca -0.00 -1.30 -0.30 0.00 -0.22 0.00 0.00 54.13 52.30 3a6g s LEU 28 Cb -0.09 -1.18 -0.08 0.00 0.50 0.00 0.00 46.19 45.34 3a6g s LEU 28 CO 0.01 -0.27 1.00 -2.16 -1.32 0.00 0.00 176.35 173.61 3a6g s PRO 29 N 1.38 4.73 -0.17 0.98 0.04 -1.26 -1.76 135.00 138.94 3a6g s PRO 29 Ca -0.03 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3a6g s PRO 29 Cb -0.19 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.09 3a6g s PRO 29 CO -0.08 0.30 -0.12 0.08 0.04 0.00 0.00 177.00 177.22 3a6g s VAL 30 N -0.68 1.58 0.00 -0.36 1.01 -0.39 -1.26 120.40 120.29 3a6g s VAL 30 Ca 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3a6g s VAL 30 Cb -0.27 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3a6g s VAL 30 CO 0.33 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3a6g n GLY 31 N 4.74 4.81 3.59 4.51 0.00 -0.25 -0.78 105.19 121.81 3a6g n GLY 31 Ca -0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.04 -0.41 4.61 0.00 -1.22 -2.96 121.76 117.73 3a6g s ALA 32 Ca 0.00 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.15 3a6g s ALA 32 Cb 0.00 0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.31 3a6g s ALA 32 CO 0.00 -0.72 0.22 -1.17 0.00 0.00 0.00 175.76 174.09 3a6g s LEU 33 N -2.42 5.13 -0.04 0.00 2.96 -1.10 -4.24 118.68 118.97 3a6g s LEU 33 Ca 0.10 -1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 52.21 3a6g s LEU 33 Cb 0.00 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.80 3a6g s LEU 33 CO -0.05 -0.53 0.16 -0.70 -1.32 0.00 0.00 176.35 173.91 3a6g s GLU 34 N 1.29 0.30 0.32 1.98 2.12 -0.11 -1.41 118.70 123.20 3a6g s GLU 34 Ca 0.04 -0.00 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 3a6g s GLU 34 Cb -0.23 0.13 -0.12 0.00 0.26 0.00 0.00 34.13 34.17 3a6g s GLU 34 CO -0.01 -0.06 1.35 0.00 -0.54 0.00 0.00 175.26 176.01 3a6g n GLN 35 N 2.42 2.20 -2.57 4.30 -0.00 -1.26 -4.34 117.38 118.12 3a6g n GLN 35 Ca -0.16 0.77 -0.15 0.00 -0.00 0.00 0.00 57.00 57.46 3a6g n GLN 35 Cb 0.58 -2.40 0.02 0.00 -0.00 0.00 0.00 30.24 28.44 3a6g n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3a6g n HIS 36 N 0.80 2.04 -3.93 2.61 8.25 -1.26 -4.98 115.22 118.75 3a6g n HIS 36 Ca 0.06 -2.81 0.00 0.00 -0.26 0.00 0.00 57.72 54.71 3a6g n HIS 36 Cb 0.35 -0.26 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.29 -2.00 0.13 -1.41 0.00 -1.25 -3.45 105.19 96.92 3a6g n GLY 37 Ca 0.21 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.01 0.00 -0.01 1.61 3.86 -1.85 -3.37 115.15 115.39 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 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3a6g h HIS 38 CO 0.00 0.00 -0.79 -2.39 0.86 0.00 0.00 177.93 175.61 3a6g n HIS 39 N -2.53 0.00 -4.20 2.45 1.44 -1.26 -4.86 115.22 106.25 3a6g n HIS 39 Ca 0.04 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.62 3a6g n HIS 39 Cb 0.47 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.48 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 -2.79 0.91 0.90 -1.40 1.00 -1.22 -0.87 119.30 115.83 3a6g s MET 40 Ca 0.12 -1.31 -0.12 0.00 0.00 0.00 0.00 55.69 54.38 3a6g s MET 40 Cb 0.17 -0.45 0.13 0.00 0.00 0.00 0.00 34.83 34.68 3a6g s MET 40 CO 0.75 0.05 1.12 0.00 0.00 0.00 0.00 175.02 176.93 3a6g n MET 42 N -3.77 0.81 -0.67 0.00 0.00 -1.26 -3.95 117.12 108.28 3a6g n MET 42 Ca 0.06 -0.39 0.09 0.00 0.00 0.00 0.00 57.70 57.47 3a6g n MET 42 Cb 0.58 -1.49 0.37 0.00 0.00 0.00 0.00 33.22 32.68 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 -0.76 4.95 -0.25 7.83 0.23 -1.26 -0.93 115.26 125.07 3a6g n ASN 43 Ca 0.14 -2.53 0.06 0.00 -0.53 0.00 0.00 54.58 51.72 3a6g n ASN 43 Cb 0.31 -0.60 0.18 0.00 -2.08 0.00 0.00 39.78 37.59 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 4.12 0.50 0.00 3.53 2.07 -1.82 -1.10 116.25 123.55 3a6g h VAL 44 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3a6g h VAL 44 Cb 1.55 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3a6g h VAL 44 CO 0.28 0.05 0.00 0.44 0.02 0.00 0.00 177.57 178.36 3a6g h ASP 45 N 0.26 0.00 0.00 0.57 5.19 -1.82 -1.51 116.42 119.11 3a6g h ASP 45 Ca 0.42 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.46 3a6g h ASP 45 Cb 0.72 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.17 3a6g h ASP 45 CO -0.52 0.00 -2.42 0.55 -3.12 0.00 0.00 179.24 173.73 3a6g n VAL 46 N -2.82 1.43 -0.00 -1.35 3.14 -0.60 -4.07 118.33 114.05 3a6g n VAL 46 Ca -0.02 -0.64 -0.11 0.00 -2.96 0.00 0.00 64.34 60.62 3a6g n VAL 46 Cb 0.12 -1.14 -0.05 0.00 -1.06 0.00 0.00 33.84 31.71 3a6g n VAL 46 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3a6g h LEU 47 N 0.00 0.12 0.34 6.55 3.38 -0.89 -2.50 115.31 122.30 3a6g h LEU 47 Ca -0.56 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3a6g h LEU 47 Cb 1.97 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3a6g h LEU 47 CO -0.05 0.12 -0.16 -0.07 0.09 0.00 0.00 178.44 178.36 3a6g h LEU 48 N 0.11 -0.39 -1.57 1.67 3.38 -1.53 -1.24 115.31 115.73 3a6g h LEU 48 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3a6g h LEU 48 Cb 0.02 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3a6g h LEU 48 CO -0.01 -0.24 -0.11 1.55 0.09 0.00 0.00 178.44 179.73 3a6g h PRO 49 N -0.51 0.13 -0.52 1.13 0.13 -1.75 -1.30 132.00 129.32 3a6g h PRO 49 Ca -0.05 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 3a6g h PRO 49 Cb 0.38 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 3a6g h PRO 49 CO 0.08 0.25 -0.01 1.15 -0.23 0.00 0.00 178.00 179.24 3a6g h THR 50 N 0.13 1.26 -0.43 1.56 2.02 -1.24 0.85 112.91 117.08 3a6g h THR 50 Ca 0.03 -1.11 -0.12 0.00 0.77 0.00 0.00 66.41 65.98 3a6g h THR 50 Cb 0.28 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3a6g h THR 50 CO 0.02 0.39 -0.22 0.00 0.37 0.00 0.00 175.52 176.08 3a6g h ALA 51 N 0.94 0.81 -0.31 6.16 0.00 -0.72 -1.14 119.26 125.00 3a6g h ALA 51 Ca 0.15 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3a6g h ALA 51 Cb 0.54 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3a6g h ALA 51 CO 0.03 0.65 -0.36 0.28 0.00 0.00 0.00 179.25 179.85 3a6g h VAL 52 N 0.75 1.29 -0.52 0.00 2.07 -1.11 -2.55 116.25 116.18 3a6g h VAL 52 Ca 0.10 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.09 3a6g h VAL 52 Cb 0.76 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3a6g h VAL 52 CO 0.06 0.50 0.34 0.00 0.02 0.00 0.00 177.57 178.49 3a6g h LYS 54 N 0.69 -0.04 -0.44 0.00 3.64 -1.10 0.19 116.57 119.51 3a6g h LYS 54 Ca 0.19 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 3a6g h LYS 54 Cb -0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3a6g h LYS 54 CO -0.05 -0.02 -0.15 0.00 -2.27 0.00 0.00 179.45 176.95 3a6g h ARG 55 N -0.04 0.82 -0.39 1.90 3.08 -1.22 -1.45 114.38 117.09 3a6g h ARG 55 Ca 0.11 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 3a6g h ARG 55 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3a6g h ARG 55 CO -0.25 0.92 0.04 0.28 -1.07 0.00 0.00 179.97 179.89 3a6g h VAL 56 N 0.73 1.25 -0.91 2.04 2.07 -0.87 -2.96 116.25 117.60 3a6g h VAL 56 Ca 0.11 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3a6g h VAL 56 Cb 0.66 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3a6g h VAL 56 CO 0.05 0.31 0.52 0.00 0.02 0.00 0.00 177.57 178.47 3a6g h ALA 57 N 0.91 1.21 0.00 1.67 0.00 -0.37 -1.22 119.26 121.45 3a6g h ALA 57 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3a6g h ALA 57 Cb 0.40 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a6g h ALA 57 CO 0.01 0.66 -0.24 0.93 0.00 0.00 0.00 179.25 180.61 3a6g h GLU 58 N 1.26 0.00 0.03 0.00 5.08 -1.19 0.20 114.58 119.97 3a6g h GLU 58 Ca 0.32 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.40 3a6g h GLU 58 Cb -0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3a6g h GLU 58 CO -0.06 0.24 -1.56 0.00 -1.00 0.00 0.00 179.01 176.63 3a6g h ARG 59 N 0.00 0.06 -0.01 2.33 3.08 -1.23 -3.38 114.38 115.23 3a6g h ARG 59 Ca -0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3a6g h ARG 59 Cb 0.47 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3a6g h ARG 59 CO 0.03 0.75 -0.17 0.44 -1.07 0.00 0.00 179.97 179.95 3a6g n ILE 60 N -3.21 0.00 -2.52 2.04 -5.35 -0.52 -5.00 119.36 104.79 3a6g n ILE 60 Ca -0.15 -0.41 -0.03 0.00 -0.27 0.00 0.00 62.75 61.89 3a6g n ILE 60 Cb 1.03 1.24 0.01 0.00 -1.74 0.00 0.00 39.64 40.17 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 0.99 0.65 3.99 3.28 0.00 0.63 -5.04 105.19 109.69 3a6g n GLY 61 Ca 0.07 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.85 4.54 0.06 4.61 0.00 -0.70 -4.72 121.76 122.69 3a6g s ALA 62 Ca 0.06 -1.86 0.09 0.00 0.00 0.00 0.00 51.96 50.25 3a6g s ALA 62 Cb -0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3a6g s ALA 62 CO 0.08 -0.57 -0.25 -0.51 0.00 0.00 0.00 175.76 174.50 3a6g s LEU 63 N -4.46 2.19 -0.18 0.00 1.43 -0.73 -4.68 118.68 112.24 3a6g s LEU 63 Ca 0.54 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3a6g s LEU 63 Cb -0.06 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 3a6g s LEU 63 CO 0.33 0.22 -0.06 -0.69 0.23 0.00 0.00 176.35 176.38 3a6g s VAL 64 N -0.85 3.48 0.61 -1.59 1.01 0.14 -0.57 120.40 122.63 3a6g s VAL 64 Ca 0.11 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 3a6g s VAL 64 Cb -0.10 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3a6g s VAL 64 CO 0.03 0.46 1.01 -0.04 0.00 0.00 0.00 175.10 176.56 3a6g s MET 65 N 0.92 3.60 0.30 2.72 -1.94 0.71 -0.85 119.30 124.75 3a6g s MET 65 Ca -0.01 0.70 -0.30 0.00 -1.71 0.00 0.00 55.69 54.38 3a6g s MET 65 Cb -0.15 -2.11 -0.12 0.00 2.01 0.00 0.00 34.83 34.47 3a6g s MET 65 CO 0.01 -0.54 1.53 -2.30 -0.01 0.00 0.00 175.02 173.71 3a6g n PRO 66 N -2.71 2.56 -2.09 2.03 -0.02 -1.26 -4.47 135.00 129.05 3a6g n PRO 66 Ca 0.06 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 62.12 3a6g n PRO 66 Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3a6g n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a6g s GLY 67 N 0.32 2.10 -0.35 -1.23 0.00 -1.26 -4.69 107.32 102.22 3a6g s GLY 67 Ca 0.62 0.35 -0.26 0.00 0.00 0.00 0.00 44.72 45.44 3a6g s GLY 67 CO 0.52 0.66 0.91 1.08 0.00 0.00 0.00 173.10 176.27 3a6g s LEU 68 N -4.46 4.01 0.33 0.66 1.43 -0.39 -4.92 118.68 115.34 3a6g s LEU 68 Ca 0.63 0.66 0.17 0.00 -1.03 0.00 0.00 54.13 54.56 3a6g s LEU 68 Cb -0.15 -3.25 0.40 0.00 0.03 0.00 0.00 46.19 43.22 3a6g s LEU 68 CO 0.37 -0.80 1.60 1.56 0.23 0.00 0.00 176.35 179.31 3a6g h GLN 69 N 8.33 0.00 -5.68 1.70 1.08 -1.90 -0.66 115.11 117.98 3a6g h GLN 69 Ca -0.23 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.29 3a6g h GLN 69 Cb 1.08 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 28.22 3a6g h GLN 69 CO 0.96 0.45 -0.83 0.71 -0.95 0.00 0.00 178.83 179.17 3a6g s TYR 70 N -3.30 2.61 0.00 2.96 1.51 -1.26 -2.71 117.35 117.17 3a6g s TYR 70 Ca 0.02 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 3a6g s TYR 70 Cb 0.09 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 3a6g s TYR 70 CO 0.71 -0.21 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 3a6g n GLY 71 N 3.17 4.29 3.78 0.71 0.00 -1.16 -4.77 105.19 111.22 3a6g n GLY 71 Ca -0.18 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.98 2.70 0.13 1.61 5.04 -1.26 -0.97 117.35 123.63 3a6g s TYR 72 Ca 0.00 1.53 -0.35 0.00 -2.44 0.00 0.00 57.07 55.81 3a6g s TYR 72 Cb 0.00 -3.02 -0.16 0.00 0.35 0.00 0.00 41.96 39.13 3a6g s TYR 72 CO 0.00 -1.65 1.27 1.63 -1.34 0.00 0.00 175.55 175.46 3a6g n LYS 73 N -3.30 1.23 -2.05 4.97 5.02 -1.24 -4.75 118.16 118.04 3a6g n LYS 73 Ca 0.09 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 3a6g n LYS 73 Cb 0.53 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.27 6.71 -0.03 4.39 0.15 -1.26 -4.89 113.70 119.03 3a6g s SER 74 Ca 0.78 2.50 -0.03 0.00 0.70 0.00 0.00 55.95 59.91 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 0.49 -0.72 0.13 -1.10 1.20 0.00 0.00 173.24 173.24 3a6g s GLN 75 N 0.78 3.28 0.19 5.44 -1.52 -1.26 -1.67 119.66 124.91 3a6g s GLN 75 Ca 0.65 -0.35 -0.17 0.00 -1.95 0.00 0.00 55.36 53.54 3a6g s GLN 75 Cb -0.40 -3.01 0.16 0.00 -0.22 0.00 0.00 33.01 29.53 3a6g s GLN 75 CO 0.33 0.69 1.62 0.37 -0.25 0.00 0.00 175.29 178.05 3a6g h GLN 76 N 4.21 -0.09 0.00 2.91 4.15 -1.90 0.57 115.11 124.95 3a6g h GLN 76 Ca -0.50 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3a6g h GLN 76 Cb 1.19 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3a6g h GLN 76 CO 0.64 -0.06 0.00 1.63 -1.93 0.00 0.00 178.83 179.11 3a6g n LYS 77 N -5.42 0.59 0.00 1.69 5.02 -1.26 -2.18 118.16 116.60 3a6g n LYS 77 Ca 0.05 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3a6g n LYS 77 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.16 3.35 0.00 4.39 3.41 -0.80 -4.84 113.62 117.96 3a6g n SER 78 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3a6g n SER 78 Cb 0.16 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 2.19 -0.83 0.00 5.00 0.00 0.19 -4.49 105.19 107.24 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 -0.10 3.03 0.00 -0.02 0.00 -0.87 -4.81 105.19 102.43 3a6g n GLY 80 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 3.52 1.04 -0.02 0.00 -1.20 -4.40 105.19 104.14 3a6g n GLY 81 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 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 0.01 1.61 5.15 -0.67 -3.62 115.26 120.36 3a6g n ASN 82 Ca 0.00 -2.32 0.11 0.00 -0.60 0.00 0.00 54.58 51.76 3a6g n ASN 82 Cb 0.00 -0.57 -0.05 0.00 -0.53 0.00 0.00 39.78 38.63 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 0.13 0.10 -2.22 1.20 1.44 -1.26 -4.96 115.22 109.65 3a6g n HIS 83 Ca 0.11 0.03 -0.38 0.00 -2.01 0.00 0.00 57.72 55.47 3a6g n HIS 83 Cb 0.62 -0.27 -0.01 0.00 0.12 0.00 0.00 29.99 30.45 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 -3.17 2.89 0.77 -1.40 0.08 -1.24 -5.02 117.98 110.90 3a6g s PHE 84 Ca 0.04 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 3a6g s PHE 84 Cb 0.15 -3.44 0.05 0.00 -0.57 0.00 0.00 43.02 39.22 3a6g s PHE 84 CO 0.84 -1.59 1.08 -2.14 -0.10 0.00 0.00 175.22 173.31 3a6g s PRO 85 N -2.54 2.28 0.00 0.24 0.02 -1.26 -3.68 135.00 130.05 3a6g s PRO 85 Ca 0.61 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.64 3a6g s PRO 85 Cb -0.31 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3a6g s PRO 85 CO 0.38 -1.58 0.00 0.41 -0.33 0.00 0.00 177.00 175.88 3a6g n GLY 86 N -1.50 1.89 3.68 0.52 0.00 -1.26 -4.70 105.19 103.82 3a6g n GLY 86 Ca 0.08 -0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.71 114.28 106.47 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 -1.86 -0.15 0.00 -1.82 0.00 0.00 70.33 66.50 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 3.28 1.44 0.12 12.58 2.01 -0.50 -4.97 115.64 129.59 3a6g s THR 88 Ca 0.88 -1.51 0.06 0.00 0.31 0.00 0.00 61.69 61.44 3a6g s THR 88 Cb -0.65 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 3a6g s THR 88 CO 0.46 -0.41 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.52 3a6g s SER 89 N 1.38 4.83 0.31 3.53 0.01 -1.26 -4.38 113.70 118.11 3a6g s SER 89 Ca 0.03 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.02 3a6g s SER 89 Cb -0.18 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 3a6g s SER 89 CO -0.13 0.15 0.50 -0.76 0.41 0.00 0.00 173.24 173.42 3a6g s LEU 90 N -2.47 4.08 0.65 2.44 1.43 -0.14 -4.87 118.68 119.80 3a6g s LEU 90 Ca 0.25 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 3a6g s LEU 90 Cb -0.11 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3a6g s LEU 90 CO 0.17 -0.22 1.05 -1.81 0.23 0.00 0.00 176.35 175.77 3a6g s ASP 91 N -3.84 5.58 0.25 2.29 1.01 -1.26 -3.70 116.67 117.01 3a6g s ASP 91 Ca 0.39 1.67 -0.05 0.00 0.71 0.00 0.00 52.55 55.27 3a6g s ASP 91 Cb -0.10 -2.51 0.33 0.00 1.01 0.00 0.00 42.92 41.65 3a6g s ASP 91 CO 0.34 -1.30 1.87 1.23 0.21 0.00 0.00 175.17 177.52 3a6g h GLY 92 N -0.28 1.36 1.54 0.21 0.00 -1.98 -2.36 103.07 101.56 3a6g h GLY 92 Ca -0.45 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 3a6g h GLY 92 CO 0.57 0.34 0.18 0.00 0.00 0.00 0.00 176.54 177.63 3a6g h ALA 93 N 1.40 1.51 -0.26 3.60 0.00 -1.99 -1.01 119.26 122.53 3a6g h ALA 93 Ca 0.38 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3a6g h ALA 93 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a6g h ALA 93 CO -0.15 0.38 -0.08 1.15 0.00 0.00 0.00 179.25 180.55 3a6g h THR 94 N 0.60 1.29 -0.31 0.00 2.02 -1.80 -0.72 112.91 113.99 3a6g h THR 94 Ca 0.15 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 3a6g h THR 94 Cb 0.11 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3a6g h THR 94 CO -0.02 0.35 -0.05 0.25 0.37 0.00 0.00 175.52 176.42 3a6g h LEU 95 N 0.24 0.58 -0.33 2.58 5.85 -1.28 -1.77 115.31 121.18 3a6g h LEU 95 Ca 0.06 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3a6g h LEU 95 Cb 0.56 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3a6g h LEU 95 CO 0.03 0.79 0.12 0.74 -0.34 0.00 0.00 178.44 179.78 3a6g h THR 96 N 0.36 0.91 -0.42 1.05 2.02 -1.16 -1.85 112.91 113.81 3a6g h THR 96 Ca 0.08 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 3a6g h THR 96 Cb 0.52 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3a6g h THR 96 CO 0.03 0.05 0.09 1.23 0.37 0.00 0.00 175.52 177.28 3a6g h GLY 97 N 0.26 0.68 0.82 2.16 0.00 -1.04 -0.45 103.07 105.51 3a6g h GLY 97 Ca 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3a6g h GLY 97 CO -0.15 0.35 0.03 -0.84 0.00 0.00 0.00 176.54 175.93 3a6g h THR 98 N 0.62 1.22 -0.50 4.70 2.02 -0.80 0.29 112.91 120.46 3a6g h THR 98 Ca 0.14 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3a6g h THR 98 Cb 0.25 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3a6g h THR 98 CO -0.00 0.21 0.22 0.58 0.37 0.00 0.00 175.52 176.90 3a6g h VAL 99 N 0.05 1.20 -0.26 3.16 2.07 -1.12 -1.94 116.25 119.41 3a6g h VAL 99 Ca 0.05 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.99 3a6g h VAL 99 Cb 0.29 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3a6g h VAL 99 CO 0.00 0.23 0.16 -0.61 0.02 0.00 0.00 177.57 177.37 3a6g h GLN 100 N 0.66 0.32 -0.62 1.57 4.15 -0.94 -1.93 115.11 118.33 3a6g h GLN 100 Ca 0.17 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.58 3a6g h GLN 100 Cb 0.15 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3a6g h GLN 100 CO -0.02 0.21 0.41 -0.44 -1.93 0.00 0.00 178.83 177.06 3a6g h ASP 101 N 0.33 0.72 -0.58 -0.69 3.32 -0.77 -1.82 116.42 116.93 3a6g h ASP 101 Ca 0.10 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3a6g h ASP 101 Cb -0.02 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3a6g h ASP 101 CO -0.04 0.53 0.24 0.40 -1.72 0.00 0.00 179.24 178.65 3a6g h ILE 102 N 0.84 1.22 -0.72 0.35 2.04 -1.13 -1.59 117.51 118.53 3a6g h ILE 102 Ca 0.23 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3a6g h ILE 102 Cb -0.09 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3a6g h ILE 102 CO -0.05 0.27 0.20 0.40 0.00 0.00 0.00 178.15 178.97 3a6g h ILE 103 N 0.80 1.26 -0.51 -0.67 2.04 -1.14 -0.65 117.51 118.64 3a6g h ILE 103 Ca 0.19 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.12 3a6g h ILE 103 Cb 0.19 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3a6g h ILE 103 CO -0.02 0.37 0.33 -0.09 0.00 0.00 0.00 178.15 178.74 3a6g h ARG 104 N 1.09 0.64 -0.48 2.37 2.43 -1.08 -1.43 114.38 117.92 3a6g h ARG 104 Ca 0.23 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 3a6g h ARG 104 Cb 0.34 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3a6g h ARG 104 CO -0.00 0.42 -0.18 0.93 -1.51 0.00 0.00 179.97 179.64 3a6g h GLU 105 N 0.66 0.97 -0.83 0.20 4.39 -0.97 -1.97 114.58 117.03 3a6g h GLU 105 Ca 0.20 -0.40 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 3a6g h GLU 105 Cb -0.04 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 3a6g h GLU 105 CO -0.06 1.07 0.42 -0.07 -1.16 0.00 0.00 179.01 179.20 3a6g h LEU 106 N 0.83 1.06 -0.99 1.33 3.38 -0.90 -1.19 115.31 118.84 3a6g h LEU 106 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3a6g h LEU 106 Cb 0.75 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3a6g h LEU 106 CO 0.06 0.88 0.33 0.00 0.09 0.00 0.00 178.44 179.80 3a6g h ALA 107 N 1.28 1.20 -0.51 1.53 0.00 -1.07 -1.70 119.26 119.99 3a6g h ALA 107 Ca 0.29 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3a6g h ALA 107 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3a6g h ALA 107 CO -0.04 0.60 0.16 -0.09 0.00 0.00 0.00 179.25 179.88 3a6g h ARG 108 N 1.04 0.75 0.00 0.00 2.43 -0.50 -1.87 114.38 116.23 3a6g h ARG 108 Ca 0.25 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3a6g h ARG 108 Cb 0.14 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3a6g h ARG 108 CO -0.03 0.65 -0.25 0.45 -1.51 0.00 0.00 179.97 179.28 3a6g h HIS 109 N 0.74 0.00 0.00 2.20 3.86 -0.44 -3.46 115.15 118.05 3a6g h HIS 109 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3a6g h HIS 109 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3a6g h HIS 109 CO 0.01 0.25 0.00 0.41 0.86 0.00 0.00 177.93 179.46 3a6g n GLY 110 N -0.65 0.89 3.78 2.45 0.00 -0.70 -4.99 105.19 105.97 3a6g n GLY 110 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 2.76 0.00 4.61 0.00 -0.72 -4.95 121.76 121.46 3a6g s ALA 111 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3a6g s ALA 111 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3a6g s ALA 111 CO 0.00 -0.66 0.27 0.54 0.00 0.00 0.00 175.76 175.91 3a6g n ARG 112 N -1.15 0.01 -3.95 0.00 5.12 -1.26 -4.15 116.66 111.28 3a6g n ARG 112 Ca 0.11 -0.27 -0.24 0.00 -1.93 0.00 0.00 57.85 55.51 3a6g n ARG 112 Cb 0.51 -0.51 -0.17 0.00 -1.16 0.00 0.00 32.46 31.13 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 -0.01 1.09 -0.01 5.56 0.52 -1.26 -0.66 118.95 124.18 3a6g s ARG 113 Ca 0.00 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3a6g s ARG 113 Cb 0.00 -1.23 0.01 0.00 0.52 0.00 0.00 34.95 34.25 3a6g s ARG 113 CO 0.00 -0.23 -0.01 -1.17 0.02 0.00 0.00 175.30 173.91 3a6g s LEU 114 N 1.59 1.67 -0.18 2.53 2.96 -0.76 -1.52 118.68 124.97 3a6g s LEU 114 Ca 0.01 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3a6g s LEU 114 Cb -0.13 -0.15 0.01 0.00 0.50 0.00 0.00 46.19 46.42 3a6g s LEU 114 CO -0.05 -0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.11 3a6g s VAL 115 N 0.37 2.54 -0.27 1.68 1.01 0.57 -0.60 120.40 125.71 3a6g s VAL 115 Ca -0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3a6g s VAL 115 Cb -0.06 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3a6g s VAL 115 CO -0.01 0.51 0.10 -0.76 0.00 0.00 0.00 175.10 174.94 3a6g s LEU 116 N 1.13 3.64 -0.37 3.92 1.02 0.46 -0.24 118.68 128.25 3a6g s LEU 116 Ca 0.01 -0.25 -0.10 0.00 0.02 0.00 0.00 54.13 53.81 3a6g s LEU 116 Cb -0.14 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.14 3a6g s LEU 116 CO -0.06 -0.07 0.18 -0.32 0.02 0.00 0.00 176.35 176.10 3a6g s MET 117 N 1.63 2.75 -0.12 1.70 1.75 -0.72 -1.31 119.30 124.97 3a6g s MET 117 Ca 0.06 -1.12 -0.20 0.00 -1.25 0.00 0.00 55.69 53.18 3a6g s MET 117 Cb -0.16 -3.66 -0.04 0.00 2.84 0.00 0.00 34.83 33.82 3a6g s MET 117 CO 0.05 -0.70 0.54 1.21 -0.65 0.00 0.00 175.02 175.47 3a6g s ASN 118 N 1.52 6.74 0.00 1.11 2.47 -0.20 -1.26 114.94 125.32 3a6g s ASN 118 Ca 0.01 0.89 0.12 0.00 0.42 0.00 0.00 52.86 54.30 3a6g s ASN 118 Cb -0.19 -2.32 0.07 0.00 -1.45 0.00 0.00 41.25 37.36 3a6g s ASN 118 CO 0.05 -0.06 0.84 0.61 -3.72 0.00 0.00 177.10 174.83 3a6g n GLY 119 N 3.31 -0.17 2.87 1.21 0.00 0.04 -4.53 105.19 107.92 3a6g n GLY 119 Ca -0.05 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.20 2.23 0.28 1.61 5.65 -1.25 -4.68 115.29 117.93 3a6g s HIS 120 Ca 0.13 -1.82 -0.05 0.00 0.25 0.00 0.00 55.06 53.57 3a6g s HIS 120 Cb 0.10 -1.75 0.54 0.00 -1.18 0.00 0.00 32.58 30.30 3a6g s HIS 120 CO 0.20 -0.81 1.58 -0.92 -0.65 0.00 0.00 174.74 174.14 3a6g h TYR 121 N 7.98 -0.27 0.00 3.88 5.03 -1.94 -0.03 116.97 131.62 3a6g h TYR 121 Ca -0.14 0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.24 3a6g h TYR 121 Cb 1.05 0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.60 3a6g h TYR 121 CO 0.43 -0.39 0.07 0.93 -1.32 0.00 0.00 178.16 177.88 3a6g h GLU 122 N 0.02 0.00 0.00 1.82 3.07 -1.91 -2.50 114.58 115.08 3a6g h GLU 122 Ca 0.50 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.25 3a6g h GLU 122 Cb 0.89 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.78 3a6g h GLU 122 CO -0.90 0.00 -0.53 -0.91 -1.40 0.00 0.00 179.01 175.26 3a6g h ASN 123 N 0.00 0.00 -0.41 1.42 2.35 -1.31 -3.40 115.58 114.23 3a6g h ASN 123 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3a6g h ASN 123 Cb 0.15 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 3a6g h ASN 123 CO 0.00 0.53 -0.24 -1.54 -1.65 0.00 0.00 177.43 174.53 3a6g n SER 124 N -3.64 -0.43 0.23 5.81 3.41 -0.94 -1.24 113.62 116.82 3a6g n SER 124 Ca -0.01 1.04 0.08 0.00 -0.26 0.00 0.00 58.87 59.72 3a6g n SER 124 Cb 0.60 -0.25 0.57 0.00 -0.26 0.00 0.00 64.21 64.87 3a6g n SER 124 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3a6g h MET 125 N 0.00 0.00 0.00 4.33 2.86 -1.85 -1.19 114.93 119.08 3a6g h MET 125 Ca 0.07 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.55 3a6g h MET 125 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3a6g h MET 125 CO -0.39 0.20 -0.73 0.74 1.06 0.00 0.00 176.91 177.80 3a6g h PHE 126 N 0.00 0.00 -0.20 -0.22 -1.00 -1.44 -1.41 116.94 112.67 3a6g h PHE 126 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 3a6g h PHE 126 Cb 0.43 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 3a6g h PHE 126 CO 0.00 0.73 -0.13 0.82 -1.61 0.00 0.00 178.31 178.11 3a6g h ILE 127 N 0.00 1.32 -0.48 -0.55 1.08 -0.68 -1.25 117.51 116.94 3a6g h ILE 127 Ca -0.01 -1.24 0.04 0.00 -0.39 0.00 0.00 64.86 63.26 3a6g h ILE 127 Cb 1.46 1.69 -0.04 0.00 -3.07 0.00 0.00 36.82 36.87 3a6g h ILE 127 CO 0.09 0.38 0.26 0.58 -0.69 0.00 0.00 178.15 178.77 3a6g h VAL 128 N 0.13 0.99 -0.46 1.67 2.07 -1.12 -0.61 116.25 118.91 3a6g h VAL 128 Ca 0.04 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3a6g h VAL 128 Cb 0.65 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3a6g h VAL 128 CO 0.04 0.09 -0.12 -0.08 0.02 0.00 0.00 177.57 177.52 3a6g h GLU 129 N 0.51 0.84 -0.83 1.57 4.57 -1.20 -1.44 114.58 118.60 3a6g h GLU 129 Ca 0.21 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3a6g h GLU 129 Cb 0.09 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3a6g h GLU 129 CO -0.13 0.92 0.43 0.78 -1.18 0.00 0.00 179.01 179.83 3a6g h GLY 130 N 0.97 1.25 0.94 1.92 0.00 -0.63 -1.07 103.07 106.45 3a6g h GLY 130 Ca 0.12 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 3a6g h GLY 130 CO 0.04 0.56 -0.07 -2.22 0.00 0.00 0.00 176.54 174.85 3a6g h ILE 131 N 1.16 1.27 -0.36 2.60 2.04 -0.86 -2.16 117.51 121.21 3a6g h ILE 131 Ca 0.29 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3a6g h ILE 131 Cb 0.06 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3a6g h ILE 131 CO -0.04 0.37 0.13 -0.78 0.00 0.00 0.00 178.15 177.83 3a6g h ASP 132 N 0.47 0.51 -0.67 1.72 3.58 -0.86 0.12 116.42 121.29 3a6g h ASP 132 Ca 0.09 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 3a6g h ASP 132 Cb 0.57 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 3a6g h ASP 132 CO 0.03 0.55 0.21 -0.07 -2.88 0.00 0.00 179.24 177.09 3a6g h LEU 133 N 0.43 0.99 -0.26 2.28 3.38 -1.22 -0.58 115.31 120.33 3a6g h LEU 133 Ca 0.12 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3a6g h LEU 133 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3a6g h LEU 133 CO -0.01 0.92 -0.07 0.00 0.09 0.00 0.00 178.44 179.38 3a6g h ALA 134 N 1.21 0.36 -0.12 1.53 0.00 -1.17 -2.13 119.26 118.94 3a6g h ALA 134 Ca 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3a6g h ALA 134 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a6g h ALA 134 CO -0.01 0.17 -0.17 -0.07 0.00 0.00 0.00 179.25 179.17 3a6g h LEU 135 N 0.25 0.18 -0.30 0.00 3.38 -0.76 0.13 115.31 118.19 3a6g h LEU 135 Ca 0.07 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3a6g h LEU 135 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3a6g h LEU 135 CO 0.03 0.37 0.05 -0.09 0.09 0.00 0.00 178.44 178.88 3a6g h ARG 136 N 0.18 0.50 -0.62 1.13 2.43 -0.95 -1.45 114.38 115.58 3a6g h ARG 136 Ca 0.03 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 3a6g h ARG 136 Cb 0.41 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3a6g h ARG 136 CO 0.03 0.60 0.09 0.93 -1.51 0.00 0.00 179.97 180.10 3a6g h GLU 137 N 0.32 1.04 -0.94 0.20 5.08 -0.74 -2.03 114.58 117.50 3a6g h GLU 137 Ca 0.09 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3a6g h GLU 137 Cb 0.34 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3a6g h GLU 137 CO 0.01 0.97 0.56 -0.07 -1.00 0.00 0.00 179.01 179.47 3a6g h LEU 138 N 0.95 1.14 -0.73 1.33 3.38 -0.87 -1.30 115.31 119.21 3a6g h LEU 138 Ca 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a6g h LEU 138 Cb 0.44 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3a6g h LEU 138 CO 0.01 0.88 0.46 -0.09 0.09 0.00 0.00 178.44 179.79 3a6g h ARG 139 N 1.30 0.97 0.00 1.13 2.43 -0.91 0.29 114.38 119.59 3a6g h ARG 139 Ca 0.34 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3a6g h ARG 139 Cb -0.04 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3a6g h ARG 139 CO -0.06 0.67 -0.12 1.88 -1.51 0.00 0.00 179.97 180.83 3a6g h TYR 140 N 0.99 0.00 -0.06 2.20 0.05 -0.62 -0.93 116.97 118.59 3a6g h TYR 140 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 3a6g h TYR 140 Cb -0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3a6g h TYR 140 CO -0.02 0.12 0.00 0.00 -1.05 0.00 0.00 178.16 177.21 3a6g n ALA 141 N -2.27 2.56 -0.72 3.88 0.00 -0.25 -4.92 120.51 118.79 3a6g n ALA 141 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3a6g n ALA 141 Cb 0.24 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.16 0.58 3.29 0.00 0.00 -0.35 -5.05 105.19 104.81 3a6g n GLY 142 Ca 0.18 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 3.43 -0.04 -0.61 1.01 0.85 -4.94 121.20 118.91 3a6g s ILE 143 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.97 3a6g s ILE 143 Cb 0.00 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.85 3a6g s ILE 143 CO 0.00 0.23 0.94 0.00 0.00 0.00 0.00 174.94 176.11 3a6g n GLN 144 N 4.78 0.91 -0.39 2.79 6.02 -1.26 -2.78 117.38 127.44 3a6g n GLN 144 Ca -0.16 -1.44 0.08 0.00 -0.01 0.00 0.00 57.00 55.47 3a6g n GLN 144 Cb 0.49 -0.88 0.24 0.00 1.02 0.00 0.00 30.24 31.11 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 -0.50 3.68 -4.67 1.08 5.75 -1.26 -4.95 116.55 115.68 3a6g n ASP 145 Ca 0.05 -2.81 -0.40 0.00 -0.01 0.00 0.00 54.79 51.62 3a6g n ASP 145 Cb 0.56 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.46 3.40 -0.05 2.11 2.19 -1.26 -4.86 117.98 117.05 3a6g s PHE 146 Ca 0.38 0.90 0.06 0.00 0.33 0.00 0.00 56.93 58.60 3a6g s PHE 146 Cb 0.30 -2.73 -0.01 0.00 -1.31 0.00 0.00 43.02 39.26 3a6g s PHE 146 CO 0.10 -0.10 -0.24 0.21 1.83 0.00 0.00 175.22 177.02 3a6g s LYS 147 N 1.60 2.50 -0.03 10.12 2.20 0.16 -5.02 119.74 131.27 3a6g s LYS 147 Ca 0.28 -0.89 0.06 0.00 -0.36 0.00 0.00 55.97 55.06 3a6g s LYS 147 Cb -0.16 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.98 3a6g s LYS 147 CO 0.11 0.42 -0.22 0.08 -0.36 0.00 0.00 175.35 175.38 3a6g s VAL 148 N -0.26 1.76 -0.11 4.02 1.01 -1.26 -1.82 120.40 123.74 3a6g s VAL 148 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3a6g s VAL 148 Cb -0.13 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 3a6g s VAL 148 CO 0.03 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.73 3a6g s VAL 149 N -0.36 2.38 -0.12 2.92 1.01 0.24 -5.00 120.40 121.46 3a6g s VAL 149 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3a6g s VAL 149 Cb -0.10 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3a6g s VAL 149 CO 0.01 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 3a6g s VAL 150 N 0.38 2.71 0.27 2.92 1.01 -1.26 -0.40 120.40 126.03 3a6g s VAL 150 Ca -0.16 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 3a6g s VAL 150 Cb -0.17 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3a6g s VAL 150 CO 0.07 0.53 0.57 -1.48 0.00 0.00 0.00 175.10 174.79 3a6g s LEU 151 N 0.39 0.19 -0.00 3.92 0.05 -0.43 -4.97 118.68 117.82 3a6g s LEU 151 Ca -0.13 -0.90 0.01 0.00 0.05 0.00 0.00 54.13 53.15 3a6g s LEU 151 Cb -0.17 2.09 0.00 0.00 -2.05 0.00 0.00 46.19 46.06 3a6g s LEU 151 CO 0.06 -1.25 -0.01 -0.44 -0.55 0.00 0.00 176.35 174.16 3a6g s SER 152 N -3.01 0.20 0.60 1.48 0.01 -1.26 -1.03 113.70 110.69 3a6g s SER 152 Ca 0.19 -0.03 0.32 0.00 1.31 0.00 0.00 55.95 57.74 3a6g s SER 152 Cb -0.02 -0.03 1.90 0.00 0.21 0.00 0.00 66.02 68.08 3a6g s SER 152 CO 0.10 0.01 2.27 0.10 0.41 0.00 0.00 173.24 176.12 3a6g h TYR 153 N 6.19 0.00 -0.89 2.43 -0.00 -1.97 -2.37 116.97 120.35 3a6g h TYR 153 Ca -0.27 0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.54 3a6g h TYR 153 Cb 1.20 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.86 3a6g h TYR 153 CO 0.42 0.00 0.55 0.74 -0.00 0.00 0.00 178.16 179.86 3a6g h PHE 154 N 0.00 1.01 0.00 0.10 0.04 -1.96 -1.99 116.94 114.14 3a6g h PHE 154 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3a6g h PHE 154 Cb 0.02 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 37.85 3a6g h PHE 154 CO 0.00 0.47 0.00 -0.25 -0.60 0.00 0.00 178.31 177.93 3a6g n ASP 155 N -4.63 0.00 -1.26 2.17 8.00 -0.89 -2.76 116.55 117.18 3a6g n ASP 155 Ca 0.14 0.19 0.12 0.00 0.71 0.00 0.00 54.79 55.94 3a6g n ASP 155 Cb 0.23 -0.35 0.26 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.35 0.71 -3.70 1.24 3.01 -0.75 -4.65 117.46 111.98 3a6g n PHE 156 Ca 0.07 -0.35 -0.36 0.00 1.01 0.00 0.00 57.45 57.81 3a6g n PHE 156 Cb 0.15 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.54 3a6g n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3a6g s VAL 157 N -1.29 3.92 0.00 -4.37 1.01 -1.11 -4.63 120.40 113.93 3a6g s VAL 157 Ca 0.44 -3.40 0.00 0.00 0.00 0.00 0.00 61.98 59.02 3a6g s VAL 157 Cb 0.24 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3a6g s VAL 157 CO 0.33 -0.97 0.00 2.29 0.00 0.00 0.00 175.10 176.75 3a6g n LYS 158 N 2.94 3.54 -1.77 2.72 2.85 -1.26 -4.95 118.16 122.22 3a6g n LYS 158 Ca 0.14 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.98 3a6g n LYS 158 Cb 0.37 -0.34 -0.03 0.00 -0.65 0.00 0.00 35.03 34.38 3a6g n LYS 158 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3a6g s ASP 159 N -0.61 6.49 0.32 -5.58 2.15 -1.26 -4.86 116.67 113.33 3a6g s ASP 159 Ca 0.00 2.52 0.11 0.00 0.43 0.00 0.00 52.55 55.60 3a6g s ASP 159 Cb 0.00 -2.53 0.93 0.00 -0.30 0.00 0.00 42.92 41.02 3a6g s ASP 159 CO 0.00 -1.04 1.72 -0.65 -0.17 0.00 0.00 175.17 175.03 3a6g h PRO 160 N 10.38 0.52 -0.70 4.34 0.11 -1.99 0.62 132.00 145.28 3a6g h PRO 160 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3a6g h PRO 160 Cb 1.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3a6g h PRO 160 CO 0.95 0.34 0.41 0.00 -0.21 0.00 0.00 178.00 179.49 3a6g h ALA 161 N 1.76 0.90 -0.24 -0.75 0.00 -2.00 -1.15 119.26 117.77 3a6g h ALA 161 Ca 0.66 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.37 3a6g h ALA 161 Cb 1.31 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3a6g h ALA 161 CO -0.50 0.38 -0.29 0.28 0.00 0.00 0.00 179.25 179.12 3a6g h VAL 162 N 0.96 1.32 -0.97 0.00 2.07 -1.31 -2.95 116.25 115.38 3a6g h VAL 162 Ca 0.25 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3a6g h VAL 162 Cb -0.01 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 3a6g h VAL 162 CO -0.05 0.46 0.64 0.40 0.02 0.00 0.00 177.57 179.05 3a6g h ILE 163 N 0.33 1.22 -0.34 4.57 1.08 -1.02 -1.75 117.51 121.61 3a6g h ILE 163 Ca 0.03 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 3a6g h ILE 163 Cb 0.86 -0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 3a6g h ILE 163 CO 0.07 0.23 0.16 1.56 -0.69 0.00 0.00 178.15 179.49 3a6g h GLN 164 N 1.27 0.49 -0.27 2.37 4.20 -1.18 0.28 115.11 122.28 3a6g h GLN 164 Ca 0.37 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 3a6g h GLN 164 Cb -0.09 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3a6g h GLN 164 CO -0.09 0.44 0.02 1.96 -0.67 0.00 0.00 178.83 180.48 3a6g h GLN 165 N 0.41 0.40 0.18 1.46 4.20 -1.27 0.45 115.11 120.94 3a6g h GLN 165 Ca 0.12 -0.07 -0.31 0.00 0.06 0.00 0.00 58.65 58.45 3a6g h GLN 165 Cb 0.11 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 27.84 3a6g h GLN 165 CO -0.02 0.41 -1.41 -0.07 -0.67 0.00 0.00 178.83 177.08 3a6g h LEU 166 N 0.39 0.61 -5.93 1.46 3.38 -0.99 -3.39 115.31 110.83 3a6g h LEU 166 Ca 0.09 -0.68 -0.57 0.00 0.09 0.00 0.00 57.88 56.81 3a6g h LEU 166 Cb 0.23 -0.20 -0.41 0.00 0.09 0.00 0.00 40.66 40.38 3a6g h LEU 166 CO 0.00 1.54 -0.82 -1.22 0.09 0.00 0.00 178.44 178.03 3a6g n TYR 167 N -3.60 2.21 0.22 1.13 4.01 0.97 -4.91 117.16 117.19 3a6g n TYR 167 Ca -0.14 -3.92 0.04 0.00 -0.16 0.00 0.00 57.90 53.72 3a6g n TYR 167 Cb 1.06 -0.47 0.17 0.00 -0.31 0.00 0.00 39.34 39.79 3a6g n TYR 167 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3a6g n PRO 168 N 0.70 0.02 0.00 -0.72 -0.04 0.13 -1.44 135.00 133.64 3a6g n PRO 168 Ca 0.27 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 64.24 3a6g n PRO 168 Cb 0.47 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 3a6g n PRO 168 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3a6g n GLU 169 N -1.57 0.95 0.00 0.54 4.71 -1.26 -5.05 120.64 118.95 3a6g n GLU 169 Ca 0.01 -0.51 0.00 0.00 -0.01 0.00 0.00 57.16 56.66 3a6g n GLU 169 Cb 0.08 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 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 1.41 4.40 3.37 0.62 0.00 -0.52 -5.11 105.19 109.34 3a6g n GLY 170 Ca 0.06 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 3a6g n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a6g s PHE 171 N -1.41 2.82 -0.99 1.61 5.36 -1.26 -4.82 117.98 119.28 3a6g s PHE 171 Ca 0.00 -0.66 0.11 0.00 -0.96 0.00 0.00 56.93 55.42 3a6g s PHE 171 Cb 0.00 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.81 3a6g s PHE 171 CO 0.00 -0.23 0.66 1.28 -1.46 0.00 0.00 175.22 175.47 3a6g n LEU 172 N 3.60 1.23 0.00 6.12 4.77 -1.26 -5.11 117.00 126.35 3a6g n LEU 172 Ca -0.18 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 3a6g n LEU 172 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3a6g n LEU 172 CO 0.31 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3a6g n GLY 173 N 0.98 1.62 0.21 -0.72 0.00 -1.26 -4.78 105.19 101.23 3a6g n GLY 173 Ca 0.04 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 44.03 3a6g n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a6g h TRP 174 N 0.00 0.00 -1.11 1.61 -0.00 -2.00 -3.36 115.95 111.09 3a6g h TRP 174 Ca 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 58.89 59.20 3a6g h TRP 174 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.09 3a6g h TRP 174 CO 0.00 0.09 0.77 -0.44 -0.00 0.00 0.00 178.44 178.86 3a6g h ASP 175 N 0.00 0.18 -0.39 -3.49 5.19 -1.95 -0.96 116.42 115.00 3a6g h ASP 175 Ca -0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3a6g h ASP 175 Cb 1.03 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.55 3a6g h ASP 175 CO 0.01 0.03 0.00 2.30 -3.12 0.00 0.00 179.24 178.46 3a6g n ILE 176 N -4.37 1.66 0.59 0.35 -5.35 -1.26 -4.68 119.36 106.30 3a6g n ILE 176 Ca 0.25 -1.36 0.10 0.00 -0.27 0.00 0.00 62.75 61.48 3a6g n ILE 176 Cb 1.09 0.14 0.43 0.00 -1.74 0.00 0.00 39.64 39.56 3a6g n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3a6g n GLU 177 N 0.31 0.09 -1.54 6.28 -0.58 -0.36 -3.17 120.64 121.67 3a6g n GLU 177 Ca 0.19 0.24 -0.50 0.00 -0.42 0.00 0.00 57.16 56.66 3a6g n GLU 177 Cb 0.71 -1.64 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 3a6g n GLU 177 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3a6g n HIS 178 N -1.80 1.83 -1.04 -0.32 -0.00 -1.26 0.48 115.22 113.11 3a6g n HIS 178 Ca 0.04 0.22 -0.01 0.00 -0.00 0.00 0.00 57.72 57.97 3a6g n HIS 178 Cb 0.25 -2.57 -0.01 0.00 -0.00 0.00 0.00 29.99 27.67 3a6g n HIS 178 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3a6g n GLY 179 N 5.79 0.43 0.00 1.57 0.00 -1.26 -2.08 105.19 109.63 3a6g n GLY 179 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.63 0.91 0.19 -0.02 0.00 0.18 -4.35 105.19 100.47 3a6g n GLY 180 Ca -0.01 -1.76 -0.04 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 0.85 0.84 1.61 2.07 -1.81 -2.12 116.25 117.69 3a6g h VAL 181 Ca 0.00 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3a6g h VAL 181 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3a6g h VAL 181 CO 0.00 0.06 -0.47 0.15 0.02 0.00 0.00 177.57 177.33 3a6g h PHE 182 N 0.34 -1.23 -0.66 1.57 3.04 -1.94 -0.53 116.94 117.53 3a6g h PHE 182 Ca 0.22 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.09 3a6g h PHE 182 Cb 0.22 0.43 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 3a6g h PHE 182 CO -0.16 -0.72 0.17 0.93 -2.02 0.00 0.00 178.31 176.52 3a6g h GLU 183 N -1.21 1.05 -0.65 1.11 5.08 -1.83 -2.48 114.58 115.66 3a6g h GLU 183 Ca -0.11 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 3a6g h GLU 183 Cb 0.95 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3a6g h GLU 183 CO 0.15 0.93 0.10 1.15 -1.00 0.00 0.00 179.01 180.34 3a6g h THR 184 N 0.98 1.26 -0.54 1.13 2.02 -1.39 -1.32 112.91 115.06 3a6g h THR 184 Ca 0.21 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 3a6g h THR 184 Cb 0.34 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3a6g h THR 184 CO -0.00 0.39 0.03 0.28 0.37 0.00 0.00 175.52 176.58 3a6g h SER 185 N 1.00 0.90 -0.70 4.18 0.02 -0.97 -0.09 113.55 117.89 3a6g h SER 185 Ca 0.20 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3a6g h SER 185 Cb 0.44 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3a6g h SER 185 CO 0.01 0.97 0.39 -0.07 -1.14 0.00 0.00 176.83 176.99 3a6g h LEU 186 N 0.80 0.87 -0.97 5.07 3.38 -1.24 -1.87 115.31 121.35 3a6g h LEU 186 Ca 0.16 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3a6g h LEU 186 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3a6g h LEU 186 CO 0.02 0.72 -0.06 0.24 0.09 0.00 0.00 178.44 179.45 3a6g h MET 187 N 0.96 0.68 -0.10 1.13 2.86 -0.94 -0.05 114.93 119.48 3a6g h MET 187 Ca 0.25 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 3a6g h MET 187 Cb 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3a6g h MET 187 CO -0.04 0.74 -0.25 -0.07 1.06 0.00 0.00 176.91 178.35 3a6g h LEU 188 N 0.63 0.16 0.00 1.22 3.38 -0.50 0.61 115.31 120.82 3a6g h LEU 188 Ca 0.12 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 3a6g h LEU 188 Cb 0.48 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3a6g h LEU 188 CO 0.02 0.42 -1.25 0.00 0.09 0.00 0.00 178.44 177.73 3a6g h ALA 189 N 1.59 0.54 0.00 1.53 0.00 -0.86 -3.35 119.26 118.72 3a6g h ALA 189 Ca 0.03 -1.09 -0.35 0.00 0.00 0.00 0.00 54.91 53.50 3a6g h ALA 189 Cb 0.53 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3a6g h ALA 189 CO 0.04 1.32 -2.26 1.28 0.00 0.00 0.00 179.25 179.63 3a6g n LEU 190 N -3.21 2.61 -3.16 0.00 4.77 -0.08 -4.83 117.00 113.11 3a6g n LEU 190 Ca -0.07 -0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 3a6g n LEU 190 Cb 0.96 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3a6g n LEU 190 CO 0.46 0.76 -0.12 -1.22 -1.33 0.00 0.00 177.39 175.94 3a6g n TYR 191 N -3.40 1.40 -0.16 -1.77 4.01 0.21 -4.95 117.16 112.50 3a6g n TYR 191 Ca -0.41 -3.85 0.25 0.00 -0.16 0.00 0.00 57.90 53.73 3a6g n TYR 191 Cb 0.89 -0.44 0.67 0.00 -0.31 0.00 0.00 39.34 40.15 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 3.35 0.10 0.00 -0.72 0.13 -1.61 0.47 132.00 133.72 3a6g h PRO 192 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a6g h PRO 192 Cb 0.80 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3a6g h PRO 192 CO 0.61 0.06 0.00 -0.44 -0.23 0.00 0.00 178.00 178.00 3a6g h ASP 193 N 0.10 0.00 -0.65 1.44 3.32 -1.92 -2.88 116.42 115.82 3a6g h ASP 193 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3a6g h ASP 193 Cb 1.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.00 3a6g h ASP 193 CO -0.05 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.65 3a6g n LEU 194 N -2.85 3.84 -4.03 1.55 4.77 0.16 -4.89 117.00 115.53 3a6g n LEU 194 Ca 0.01 -1.89 -0.25 0.00 -0.03 0.00 0.00 56.01 53.84 3a6g n LEU 194 Cb 0.25 -0.43 -0.17 0.00 -2.33 0.00 0.00 43.42 40.75 3a6g n LEU 194 CO 0.24 0.93 -0.47 -0.69 -1.33 0.00 0.00 177.39 176.07 3a6g s VAL 195 N -1.10 1.16 -0.68 4.08 1.01 -1.09 -2.97 120.40 120.81 3a6g s VAL 195 Ca 0.46 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.99 3a6g s VAL 195 Cb 0.25 -1.05 0.18 0.00 0.00 0.00 0.00 36.38 35.75 3a6g s VAL 195 CO 0.33 0.36 0.51 0.47 0.00 0.00 0.00 175.10 176.76 3a6g n ASP 196 N 3.76 2.80 -0.09 3.32 8.00 -0.05 -4.95 116.55 129.35 3a6g n ASP 196 Ca -0.23 -3.17 0.25 0.00 0.71 0.00 0.00 54.79 52.36 3a6g n ASP 196 Cb 0.52 -0.74 0.72 0.00 -0.02 0.00 0.00 41.12 41.60 3a6g n ASP 196 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a6g h LEU 197 N 5.30 0.00 -2.02 0.64 5.85 -1.96 0.35 115.31 123.46 3a6g h LEU 197 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3a6g h LEU 197 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3a6g h LEU 197 CO 0.70 0.00 0.00 -2.24 -0.34 0.00 0.00 178.44 176.56 3a6g h ASP 198 N 0.00 0.00 0.15 1.25 2.03 -1.95 -1.27 116.42 116.64 3a6g h ASP 198 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 3a6g h ASP 198 Cb 1.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 3a6g h ASP 198 CO -0.00 0.00 -0.25 0.54 -1.03 0.00 0.00 179.24 178.50 3a6g n ARG 199 N -2.59 1.06 -1.78 4.15 1.74 0.11 -4.96 116.66 114.40 3a6g n ARG 199 Ca -0.02 -0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 55.97 3a6g n ARG 199 Cb 0.06 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3a6g n ARG 199 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3a6g n VAL 200 N -0.38 2.05 -3.56 1.55 3.14 -0.48 -4.43 118.33 116.23 3a6g n VAL 200 Ca 0.13 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.60 3a6g n VAL 200 Cb 0.38 -1.97 -0.11 0.00 -1.06 0.00 0.00 33.84 31.08 3a6g n VAL 200 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3a6g s VAL 201 N -1.12 4.84 -1.31 1.55 1.01 -1.26 -5.01 120.40 119.10 3a6g s VAL 201 Ca 0.54 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 3a6g s VAL 201 Cb -0.47 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3a6g s VAL 201 CO 0.64 -0.20 2.02 -0.67 0.00 0.00 0.00 175.10 176.89 3a6g n ASP 202 N 5.05 3.97 -4.92 3.32 2.03 -1.26 -4.69 116.55 120.05 3a6g n ASP 202 Ca -0.12 -2.83 -0.23 0.00 0.52 0.00 0.00 54.79 52.12 3a6g n ASP 202 Cb 0.47 -1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.21 3a6g n ASP 202 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3a6g s HIS 203 N 4.28 3.38 0.82 -0.67 -3.43 -1.26 -5.02 115.29 113.39 3a6g s HIS 203 Ca 0.52 0.01 -0.11 0.00 -0.80 0.00 0.00 55.06 54.68 3a6g s HIS 203 Cb 0.10 -1.57 0.09 0.00 -1.43 0.00 0.00 32.58 29.77 3a6g s HIS 203 CO 0.00 0.48 1.10 -1.25 -2.00 0.00 0.00 174.74 173.08 3a6g s PRO 204 N -3.63 1.82 0.28 -0.38 0.04 -1.26 -3.84 135.00 128.03 3a6g s PRO 204 Ca 0.34 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 3a6g s PRO 204 Cb -0.10 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 3a6g s PRO 204 CO 0.28 -1.96 1.23 -2.30 0.04 0.00 0.00 177.00 174.29 3a6g n PRO 205 N -3.74 1.79 -2.14 0.56 -0.02 -1.26 -4.76 135.00 125.43 3a6g n PRO 205 Ca 0.09 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3a6g n PRO 205 Cb 0.53 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.73 3.53 -0.03 3.55 0.00 -0.05 -5.01 121.76 123.01 3a6g s ALA 206 Ca 0.61 1.21 0.06 0.00 0.00 0.00 0.00 51.96 53.85 3a6g s ALA 206 Cb -0.65 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 18.97 3a6g s ALA 206 CO 0.57 -0.61 -0.22 0.95 0.00 0.00 0.00 175.76 176.46 3a6g s THR 207 N -0.60 1.75 0.13 0.00 -4.23 -1.26 -4.99 115.64 106.44 3a6g s THR 207 Ca 0.53 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 60.15 3a6g s THR 207 Cb -0.39 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 3a6g s THR 207 CO 0.47 0.50 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.58 3a6g s PHE 208 N -0.32 1.22 0.95 3.99 0.40 -1.26 -5.06 117.98 117.90 3a6g s PHE 208 Ca 0.03 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.51 3a6g s PHE 208 Cb -0.10 -0.63 0.16 0.00 0.51 0.00 0.00 43.02 42.95 3a6g s PHE 208 CO 0.01 0.06 1.10 -1.25 0.70 0.00 0.00 175.22 175.84 3a6g s PRO 209 N -3.47 0.81 0.00 0.24 0.04 -1.26 -4.86 135.00 126.51 3a6g s PRO 209 Ca 0.14 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3a6g s PRO 209 Cb 0.01 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3a6g s PRO 209 CO 0.00 -2.47 0.67 -2.30 0.04 0.00 0.00 177.00 172.95 3a6g n PRO 210 N -4.00 0.52 -3.80 0.56 -0.02 -1.26 -4.78 135.00 122.22 3a6g n PRO 210 Ca 0.06 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.49 3a6g n PRO 210 Cb 0.57 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.80 3a6g n PRO 210 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3a6g s TYR 211 N 0.62 -0.11 0.14 6.00 -0.85 -1.26 -5.18 117.35 116.72 3a6g s TYR 211 Ca 0.00 -0.28 0.10 0.00 -0.52 0.00 0.00 57.07 56.37 3a6g s TYR 211 Cb 0.00 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 3a6g s TYR 211 CO 0.00 -1.00 -0.22 -0.51 -1.52 0.00 0.00 175.55 172.30 3a6g s ASP 212 N -2.99 3.62 -0.03 -0.18 1.11 -1.26 -5.09 116.67 111.85 3a6g s ASP 212 Ca 0.13 -0.69 0.06 0.00 0.18 0.00 0.00 52.55 52.23 3a6g s ASP 212 Cb -0.03 -0.38 -0.01 0.00 1.07 0.00 0.00 42.92 43.56 3a6g s ASP 212 CO 0.05 0.16 -0.22 -0.69 1.18 0.00 0.00 175.17 175.65 3a6g s VAL 213 N -1.26 1.78 -0.01 -1.27 1.01 -1.26 -5.13 120.40 114.25 3a6g s VAL 213 Ca 0.18 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3a6g s VAL 213 Cb -0.10 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 3a6g s VAL 213 CO 0.09 0.50 -0.06 -0.36 0.00 0.00 0.00 175.10 175.27 3a6g s PHE 214 N -0.32 0.54 0.67 5.22 0.08 -1.26 -3.77 117.98 119.13 3a6g s PHE 214 Ca 0.03 -0.10 -0.17 0.00 0.12 0.00 0.00 56.93 56.80 3a6g s PHE 214 Cb -0.11 -0.36 -0.00 0.00 -0.57 0.00 0.00 43.02 41.98 3a6g s PHE 214 CO 0.01 -0.02 1.26 -2.30 -0.10 0.00 0.00 175.22 174.06 3a6g n PRO 215 N 3.03 0.98 -1.69 0.24 -0.02 -1.26 -5.06 135.00 131.21 3a6g n PRO 215 Ca -0.14 0.39 -0.44 0.00 -2.02 0.00 0.00 63.50 61.30 3a6g n PRO 215 Cb 0.57 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 3a6g n PRO 215 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3a6g n VAL 216 N -2.08 0.98 -3.30 -1.45 3.14 -1.25 -4.95 118.33 109.43 3a6g n VAL 216 Ca 0.16 -0.25 -0.44 0.00 -2.96 0.00 0.00 64.34 60.85 3a6g n VAL 216 Cb 0.48 -1.63 -0.08 0.00 -1.06 0.00 0.00 33.84 31.55 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 0.35 6.19 0.54 6.55 2.15 -1.26 -4.96 116.67 126.23 3a6g s ASP 217 Ca 0.67 -0.95 0.27 0.00 0.43 0.00 0.00 52.55 52.97 3a6g s ASP 217 Cb -0.60 -2.23 1.44 0.00 -0.30 0.00 0.00 42.92 41.23 3a6g s ASP 217 CO 0.49 -0.69 1.97 -0.65 -0.17 0.00 0.00 175.17 176.12 3a6g h PRO 218 N 8.82 0.00 0.00 4.34 0.11 -1.96 -1.62 132.00 141.69 3a6g h PRO 218 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3a6g h PRO 218 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3a6g h PRO 218 CO 0.87 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 3a6g h ALA 219 N 1.66 1.00 -0.01 -0.75 0.00 -2.00 -2.78 119.26 116.37 3a6g h ALA 219 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3a6g h ALA 219 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3a6g h ALA 219 CO -0.00 0.00 -0.13 0.54 0.00 0.00 0.00 179.25 179.65 3a6g n ARG 220 N -2.39 1.29 -4.64 0.00 1.74 -0.61 -4.83 116.66 107.21 3a6g n ARG 220 Ca 0.01 -0.78 -0.34 0.00 -0.77 0.00 0.00 57.85 55.98 3a6g n ARG 220 Cb 0.19 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 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 -2.25 3.55 0.26 0.55 2.01 -1.05 -4.95 115.64 113.76 3a6g s THR 221 Ca 0.31 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 3a6g s THR 221 Cb 0.20 -2.47 -0.14 0.00 0.01 0.00 0.00 72.50 70.10 3a6g s THR 221 CO 0.43 0.56 1.23 -2.65 -0.69 0.00 0.00 174.62 173.50 3a6g n PRO 222 N 2.72 1.70 -0.31 4.92 -0.02 -1.26 -4.82 135.00 137.92 3a6g n PRO 222 Ca -0.18 0.60 0.18 0.00 -2.02 0.00 0.00 63.50 62.08 3a6g n PRO 222 Cb 0.53 -2.14 0.36 0.00 -0.02 0.00 0.00 33.50 32.24 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 3.11 1.51 0.00 3.55 0.00 -1.90 -0.28 119.26 125.26 3a6g h ALA 223 Ca -0.43 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3a6g h ALA 223 Cb 1.31 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3a6g h ALA 223 CO 0.68 -0.56 -0.13 -1.35 0.00 0.00 0.00 179.25 177.90 3a6g h PRO 224 N 0.19 0.00 0.00 0.00 0.11 -1.98 -3.46 132.00 126.86 3a6g h PRO 224 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3a6g h PRO 224 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3a6g h PRO 224 CO -0.69 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 177.64 3a6g n GLY 225 N -0.52 1.70 3.82 -0.55 0.00 -0.11 -3.77 105.19 105.76 3a6g n GLY 225 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.35 4.48 -1.65 2.61 -4.23 -1.26 -4.47 115.64 108.77 3a6g s THR 226 Ca 0.00 1.33 0.23 0.00 -1.18 0.00 0.00 61.69 62.07 3a6g s THR 226 Cb 0.00 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 3a6g s THR 226 CO 0.00 -0.18 1.11 0.18 -0.54 0.00 0.00 174.62 175.20 3a6g n LEU 227 N -0.29 1.53 -3.46 4.79 4.77 -0.88 -4.39 117.00 119.07 3a6g n LEU 227 Ca 0.04 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.33 3a6g n LEU 227 Cb 0.53 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3a6g n LEU 227 CO 0.40 0.31 0.51 -0.94 -1.33 0.00 0.00 177.39 176.33 3a6g s SER 228 N -2.66 -0.50 0.06 -1.43 1.04 -1.19 -0.87 113.70 108.14 3a6g s SER 228 Ca 0.16 0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 3a6g s SER 228 Cb 0.18 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 3a6g s SER 228 CO 0.66 -0.81 0.97 -0.55 0.98 0.00 0.00 173.24 174.49 3a6g s SER 229 N -2.51 7.44 -0.12 7.02 0.15 -1.25 -4.20 113.70 120.23 3a6g s SER 229 Ca 0.01 1.73 0.15 0.00 0.70 0.00 0.00 55.95 58.55 3a6g s SER 229 Cb -0.01 -2.58 0.65 0.00 -1.71 0.00 0.00 66.02 62.37 3a6g s SER 229 CO -0.10 -0.16 1.53 0.00 1.20 0.00 0.00 173.24 175.71 3a6g n ALA 230 N 3.30 3.19 -0.28 5.45 0.00 -1.26 -4.05 120.51 126.87 3a6g n ALA 230 Ca 0.04 -1.43 0.14 0.00 0.00 0.00 0.00 53.44 52.19 3a6g n ALA 230 Cb 0.50 -1.05 0.40 0.00 0.00 0.00 0.00 19.45 19.30 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 3.51 0.62 -0.60 0.00 3.64 -1.92 -0.82 116.57 121.01 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 1.41 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3a6g h LYS 231 CO 0.26 0.41 0.00 0.25 -2.27 0.00 0.00 179.45 178.10 3a6g n THR 232 N -4.58 1.07 -2.13 1.00 -2.24 -1.26 -4.94 114.28 101.21 3a6g n THR 232 Ca 0.19 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 3a6g n THR 232 Cb 0.53 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.73 2.80 0.14 6.98 0.00 -0.31 -5.04 121.76 124.60 3a6g s ALA 233 Ca 0.29 0.38 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 3a6g s ALA 233 Cb 0.19 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 20.17 3a6g s ALA 233 CO 0.14 -0.69 0.63 -1.54 0.00 0.00 0.00 175.76 174.30 3a6g s SER 234 N -2.77 -0.55 0.25 0.00 1.04 -1.26 -4.94 113.70 105.47 3a6g s SER 234 Ca 0.63 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.00 3a6g s SER 234 Cb -0.15 0.58 0.27 0.00 0.10 0.00 0.00 66.02 66.81 3a6g s SER 234 CO 0.35 -0.93 1.91 -0.09 0.98 0.00 0.00 173.24 175.46 3a6g h ARG 235 N 2.00 1.28 -0.38 4.02 2.43 -1.85 -0.81 114.38 121.07 3a6g h ARG 235 Ca -0.33 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 58.75 3a6g h ARG 235 Cb 1.30 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3a6g h ARG 235 CO 0.37 0.87 0.24 0.93 -1.51 0.00 0.00 179.97 180.88 3a6g h GLU 236 N 1.31 0.48 -0.48 0.20 3.07 -1.95 0.11 114.58 117.31 3a6g h GLU 236 Ca 0.35 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.10 3a6g h GLU 236 Cb -0.10 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 3a6g h GLU 236 CO -0.07 0.32 -0.01 0.87 -1.40 0.00 0.00 179.01 178.72 3a6g h LYS 237 N 0.50 0.81 -0.52 2.33 1.57 -1.81 -2.29 116.57 117.16 3a6g h LYS 237 Ca 0.14 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3a6g h LYS 237 Cb -0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3a6g h LYS 237 CO -0.04 0.83 0.30 0.78 -0.57 0.00 0.00 179.45 180.75 3a6g h GLY 238 N 0.98 0.77 1.33 3.86 0.00 -0.32 -0.32 103.07 109.37 3a6g h GLY 238 Ca 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3a6g h GLY 238 CO 0.02 0.33 0.10 0.83 0.00 0.00 0.00 176.54 177.82 3a6g h GLU 239 N 0.70 0.83 0.10 4.80 5.08 -0.58 -0.39 114.58 125.12 3a6g h GLU 239 Ca 0.19 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a6g h GLU 239 Cb 0.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3a6g h GLU 239 CO -0.03 0.77 -0.05 1.25 -1.00 0.00 0.00 179.01 179.95 3a6g h LEU 240 N 0.80 -0.11 -0.42 1.33 5.85 -1.00 -2.04 115.31 119.72 3a6g h LEU 240 Ca 0.17 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3a6g h LEU 240 Cb 0.33 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3a6g h LEU 240 CO 0.00 0.18 0.13 0.40 -0.34 0.00 0.00 178.44 178.82 3a6g h ILE 241 N -0.41 0.85 0.29 4.05 2.04 -0.89 -1.89 117.51 121.55 3a6g h ILE 241 Ca -0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3a6g h ILE 241 Cb 0.35 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3a6g h ILE 241 CO 0.02 0.05 -0.29 0.25 0.00 0.00 0.00 178.15 178.18 3a6g h LEU 242 N 0.28 -0.79 -0.96 1.44 5.85 -1.01 -0.26 115.31 119.87 3a6g h LEU 242 Ca 0.20 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3a6g h LEU 242 Cb 0.20 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3a6g h LEU 242 CO -0.22 -0.42 0.64 -0.08 -0.34 0.00 0.00 178.44 178.02 3a6g h GLU 243 N -0.62 1.26 -0.36 1.25 4.57 -1.25 0.11 114.58 119.55 3a6g h GLU 243 Ca -0.01 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3a6g h GLU 243 Cb 0.57 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3a6g h GLU 243 CO -0.06 0.83 0.08 0.28 -1.18 0.00 0.00 179.01 178.96 3a6g h VAL 244 N 1.30 1.23 -0.22 0.32 2.07 -1.14 -2.07 116.25 117.73 3a6g h VAL 244 Ca 0.35 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3a6g h VAL 244 Cb -0.14 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3a6g h VAL 244 CO -0.08 0.27 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 3a6g h VAL 246 N 0.16 1.12 -0.24 0.00 2.07 -0.78 0.52 116.25 119.09 3a6g h VAL 246 Ca 0.06 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 3a6g h VAL 246 Cb 0.44 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3a6g h VAL 246 CO 0.02 0.11 -0.52 -0.61 0.02 0.00 0.00 177.57 176.59 3a6g h GLN 247 N 0.60 0.70 -0.31 1.57 5.75 -1.38 -0.33 115.11 121.71 3a6g h GLN 247 Ca 0.16 -0.43 -0.05 0.00 -0.15 0.00 0.00 58.65 58.18 3a6g h GLN 247 Cb -0.06 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3a6g h GLN 247 CO -0.03 1.05 -0.00 0.78 -2.65 0.00 0.00 178.83 177.97 3a6g h GLY 248 N 0.91 0.58 1.10 2.39 0.00 -1.07 -1.91 103.07 105.08 3a6g h GLY 248 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 3a6g h GLY 248 CO 0.11 0.39 -0.23 -2.22 0.00 0.00 0.00 176.54 174.59 3a6g h ILE 249 N 0.33 1.27 -0.71 2.60 2.04 -0.88 -1.62 117.51 120.54 3a6g h ILE 249 Ca 0.09 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.57 3a6g h ILE 249 Cb 0.44 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3a6g h ILE 249 CO 0.02 0.48 0.46 0.00 0.00 0.00 0.00 178.15 179.10 3a6g h ALA 250 N 0.85 0.92 -0.07 1.87 0.00 -1.00 -0.64 119.26 121.20 3a6g h ALA 250 Ca 0.10 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3a6g h ALA 250 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3a6g h ALA 250 CO 0.07 0.27 -0.63 -0.44 0.00 0.00 0.00 179.25 178.52 3a6g h ASP 251 N 0.91 0.29 -0.51 0.00 3.32 -1.23 -1.86 116.42 117.34 3a6g h ASP 251 Ca 0.28 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3a6g h ASP 251 Cb -0.03 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3a6g h ASP 251 CO -0.09 0.84 0.20 0.00 -1.72 0.00 0.00 179.24 178.47 3a6g h ALA 252 N 1.16 0.67 -0.69 3.45 0.00 -0.79 -1.48 119.26 121.58 3a6g h ALA 252 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3a6g h ALA 252 Cb 1.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3a6g h ALA 252 CO 0.10 0.29 0.15 0.82 0.00 0.00 0.00 179.25 180.60 3a6g h ILE 253 N 0.69 1.26 -0.90 0.00 2.04 -0.99 -1.08 117.51 118.52 3a6g h ILE 253 Ca 0.17 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3a6g h ILE 253 Cb 0.21 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3a6g h ILE 253 CO -0.01 0.38 0.50 0.03 0.00 0.00 0.00 178.15 179.05 3a6g h ARG 254 N 1.05 1.26 -0.34 2.37 3.08 -1.05 0.23 114.38 120.97 3a6g h ARG 254 Ca 0.21 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3a6g h ARG 254 Cb 0.40 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3a6g h ARG 254 CO 0.01 0.92 -0.08 1.49 -1.07 0.00 0.00 179.97 181.23 3a6g h GLU 255 N 1.26 0.66 0.01 0.04 4.81 -0.87 -2.96 114.58 117.53 3a6g h GLU 255 Ca 0.32 -0.25 -0.22 0.00 -0.13 0.00 0.00 59.36 59.07 3a6g h GLU 255 Cb 0.02 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3a6g h GLU 255 CO -0.05 0.83 -1.06 0.93 -0.73 0.00 0.00 179.01 178.93 3a6g h GLU 256 N 0.45 0.01 -2.19 1.92 4.39 -1.00 -3.38 114.58 114.79 3a6g h GLU 256 Ca 0.09 -0.03 -0.59 0.00 0.34 0.00 0.00 59.36 59.17 3a6g h GLU 256 Cb 0.59 0.01 -0.42 0.00 -0.10 0.00 0.00 28.75 28.83 3a6g h GLU 256 CO 0.03 0.98 -0.66 1.19 -1.16 0.00 0.00 179.01 179.39 3a6g n PHE 257 N -3.34 3.27 -1.86 4.33 3.72 0.78 -5.09 117.46 119.27 3a6g n PHE 257 Ca -0.02 -4.06 -0.41 0.00 -0.05 0.00 0.00 57.45 52.91 3a6g n PHE 257 Cb 0.95 -0.52 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 3a6g n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3a6g s PRO 258 N -2.55 4.16 0.00 -1.08 0.02 -1.12 -4.69 135.00 129.74 3a6g s PRO 258 Ca 0.41 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3a6g s PRO 258 Cb 0.18 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3a6g s PRO 258 CO -0.05 -0.48 0.40 -2.30 -0.33 0.00 0.00 177.00 174.25