#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxs n PRO 2 N 0.00 0.42 -2.22 3.17 -0.02 -1.26 -4.86 135.00 130.23 1qxs n PRO 2 Ca 0.00 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1qxs n PRO 2 Cb 0.00 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1qxs n PRO 2 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1qxs s ILE 3 N -1.24 3.19 -0.64 4.25 -4.36 -0.05 -4.80 121.20 117.55 1qxs s ILE 3 Ca 0.62 1.00 -0.20 0.00 -0.26 0.00 0.00 60.65 61.81 1qxs s ILE 3 Cb -0.75 -3.64 0.10 0.00 1.25 0.00 0.00 42.46 39.42 1qxs s ILE 3 CO 0.58 0.16 0.82 -0.54 0.24 0.00 0.00 174.94 176.21 1qxs s LYS 4 N -0.32 3.12 0.07 0.37 -0.14 -1.26 -0.42 119.74 121.16 1qxs s LYS 4 Ca 0.55 -1.22 0.03 0.00 -1.36 0.00 0.00 55.97 53.98 1qxs s LYS 4 Cb -0.36 -4.30 -0.04 0.00 -1.68 0.00 0.00 37.83 31.44 1qxs s LYS 4 CO 0.40 -1.65 0.06 0.08 -0.76 0.00 0.00 175.35 173.48 1qxs s VAL 5 N 3.09 4.45 -0.04 3.17 1.01 -0.98 -2.19 120.40 128.92 1qxs s VAL 5 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1qxs s VAL 5 Cb -0.20 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1qxs s VAL 5 CO 0.06 0.16 -0.02 -0.83 0.00 0.00 0.00 175.10 174.48 1qxs s GLY 6 N -2.27 0.35 -0.20 4.51 0.00 0.12 -1.80 107.32 108.02 1qxs s GLY 6 Ca 0.28 0.05 -0.18 0.00 0.00 0.00 0.00 44.72 44.86 1qxs s GLY 6 CO 0.20 0.60 0.49 -0.42 0.00 0.00 0.00 173.10 173.97 1qxs s ILE 7 N 1.09 5.12 -0.46 0.90 1.01 -1.14 -0.43 121.20 127.28 1qxs s ILE 7 Ca -0.09 0.90 -0.13 0.00 0.00 0.00 0.00 60.65 61.34 1qxs s ILE 7 Cb -0.14 -3.82 0.09 0.00 0.01 0.00 0.00 42.46 38.60 1qxs s ILE 7 CO -0.01 0.18 0.36 0.21 0.00 0.00 0.00 174.94 175.68 1qxs s ASN 8 N 1.16 5.94 0.00 3.58 3.04 0.00 -0.93 114.94 127.73 1qxs s ASN 8 Ca 0.23 -1.51 0.00 0.00 0.04 0.00 0.00 52.86 51.61 1qxs s ASN 8 Cb -0.15 -2.10 0.00 0.00 -1.54 0.00 0.00 41.25 37.45 1qxs s ASN 8 CO 0.09 -0.65 0.00 0.61 -3.04 0.00 0.00 177.10 174.12 1qxs n GLY 9 N 5.08 0.78 3.14 1.21 0.00 0.19 -1.97 105.19 113.63 1qxs n GLY 9 Ca -0.11 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 1qxs n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qxs n PHE 10 N 0.00 1.12 -2.23 1.61 7.35 -1.00 -4.01 117.46 120.29 1qxs n PHE 10 Ca 0.00 -1.35 0.00 0.00 -0.76 0.00 0.00 57.45 55.34 1qxs n PHE 10 Cb 0.00 -1.34 0.00 0.00 0.35 0.00 0.00 39.48 38.49 1qxs n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qxs n GLY 11 N 4.53 3.60 0.35 7.13 0.00 -1.26 -4.77 105.19 114.77 1qxs n GLY 11 Ca 0.44 -2.03 0.18 0.00 0.00 0.00 0.00 46.02 44.62 1qxs n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qxs h ARG 12 N 0.00 0.53 0.08 1.61 9.65 -1.94 -1.37 114.38 122.94 1qxs h ARG 12 Ca 0.00 -0.03 -0.30 0.00 -1.10 0.00 0.00 59.98 58.55 1qxs h ARG 12 Cb 0.00 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 1qxs h ARG 12 CO 0.00 0.35 -1.54 0.82 2.80 0.00 0.00 179.97 182.40 1qxs h ILE 13 N 0.55 1.11 -0.88 1.20 1.08 -1.90 -2.92 117.51 115.75 1qxs h ILE 13 Ca 0.66 -2.81 0.04 0.00 -0.39 0.00 0.00 64.86 62.35 1qxs h ILE 13 Cb 1.29 2.68 -0.06 0.00 -3.07 0.00 0.00 36.82 37.66 1qxs h ILE 13 CO -0.49 0.78 0.57 1.23 -0.69 0.00 0.00 178.15 179.54 1qxs h GLY 14 N 2.17 1.30 0.65 5.37 0.00 -1.42 -0.77 103.07 110.37 1qxs h GLY 14 Ca -0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1qxs h GLY 14 CO 0.13 0.34 -0.08 3.21 0.00 0.00 0.00 176.54 180.14 1qxs h ARG 15 N 1.08 -0.22 -0.95 4.80 3.08 -1.42 -2.27 114.38 118.47 1qxs h ARG 15 Ca 0.36 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.60 1qxs h ARG 15 Cb 0.06 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.06 1qxs h ARG 15 CO -0.14 0.11 0.55 0.52 -1.07 0.00 0.00 179.97 179.95 1qxs h MET 16 N -0.58 0.70 -0.57 0.04 2.86 -1.30 1.05 114.93 117.12 1qxs h MET 16 Ca -0.02 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1qxs h MET 16 Cb 0.44 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1qxs h MET 16 CO 0.04 0.46 0.09 0.28 1.06 0.00 0.00 176.91 178.84 1qxs h VAL 17 N 0.72 1.26 -0.12 -2.22 2.07 -1.10 0.59 116.25 117.45 1qxs h VAL 17 Ca 0.54 -0.98 -0.17 0.00 0.82 0.00 0.00 66.70 66.91 1qxs h VAL 17 Cb 0.81 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1qxs h VAL 17 CO -0.38 0.36 -0.63 0.15 0.02 0.00 0.00 177.57 177.09 1qxs h PHE 18 N 0.85 0.58 -0.23 1.57 3.04 -0.03 -0.30 116.94 122.42 1qxs h PHE 18 Ca 0.17 -0.23 -0.18 0.00 3.98 0.00 0.00 57.97 61.72 1qxs h PHE 18 Cb 0.42 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1qxs h PHE 18 CO 0.03 0.95 -0.56 1.96 -2.02 0.00 0.00 178.31 178.68 1qxs h GLN 19 N 0.33 0.78 -0.46 1.11 4.20 0.11 -0.71 115.11 120.47 1qxs h GLN 19 Ca -0.01 -0.54 -0.04 0.00 0.06 0.00 0.00 58.65 58.12 1qxs h GLN 19 Cb 1.18 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1qxs h GLN 19 CO 0.11 1.16 0.12 0.00 -0.67 0.00 0.00 178.83 179.55 1qxs h ALA 20 N 0.62 0.60 -0.72 3.87 0.00 -0.87 0.17 119.26 122.93 1qxs h ALA 20 Ca -0.01 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1qxs h ALA 20 Cb 1.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1qxs h ALA 20 CO 0.12 0.28 0.47 1.25 0.00 0.00 0.00 179.25 181.37 1qxs h LEU 21 N 0.61 0.75 -0.05 0.00 6.46 -0.94 -1.89 115.31 120.25 1qxs h LEU 21 Ca 0.14 -0.01 -0.16 0.00 -0.12 0.00 0.00 57.88 57.73 1qxs h LEU 21 Cb 0.31 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1qxs h LEU 21 CO 0.00 0.52 -0.59 0.00 -0.62 0.00 0.00 178.44 177.75 1qxs h GLU 23 N 0.06 0.38 0.00 0.00 4.81 -0.04 0.51 114.58 120.30 1qxs h GLU 23 Ca -0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1qxs h GLU 23 Cb 1.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1qxs h GLU 23 CO 0.12 0.25 0.00 -0.25 -0.73 0.00 0.00 179.01 178.40 1qxs n ASP 24 N -5.04 0.06 -1.80 1.04 8.00 -0.77 -4.86 116.55 113.17 1qxs n ASP 24 Ca 0.13 0.52 -0.08 0.00 0.71 0.00 0.00 54.79 56.07 1qxs n ASP 24 Cb 0.40 -0.53 0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1qxs n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qxs n GLY 25 N -0.24 0.26 0.01 0.44 0.00 0.18 -4.96 105.19 100.87 1qxs n GLY 25 Ca 0.03 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.83 1qxs n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qxs n LEU 26 N -2.21 0.13 -4.67 0.99 4.77 -1.12 -4.77 117.00 110.13 1qxs n LEU 26 Ca -0.05 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.40 1qxs n LEU 26 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1qxs n LEU 26 CO 0.24 0.03 1.56 -0.11 -1.33 0.00 0.00 177.39 177.78 1qxs n LEU 27 N -1.88 4.01 0.00 2.23 7.94 -1.25 -1.61 117.00 126.44 1qxs n LEU 27 Ca -0.02 0.93 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 1qxs n LEU 27 Cb 0.35 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.80 1qxs n LEU 27 CO 0.31 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.34 1qxs n GLY 28 N 4.46 2.24 0.00 -3.96 0.00 0.51 -4.80 105.19 103.64 1qxs n GLY 28 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qxs n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qxs n THR 29 N 0.00 0.00 -0.08 2.61 -1.04 -0.86 -4.80 114.28 110.11 1qxs n THR 29 Ca 0.00 0.25 -0.15 0.00 -2.04 0.00 0.00 64.05 62.11 1qxs n THR 29 Cb 0.00 -0.92 -0.12 0.00 -1.82 0.00 0.00 70.33 67.47 1qxs n THR 29 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1qxs h GLU 30 N 0.00 0.00 -6.16 -2.82 4.39 -1.66 -3.40 114.58 104.94 1qxs h GLU 30 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1qxs h GLU 30 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 1qxs h GLU 30 CO 0.00 0.98 -0.58 0.42 -1.16 0.00 0.00 179.01 178.67 1qxs s ILE 31 N -2.24 3.43 -0.21 3.13 1.01 -0.63 -0.87 121.20 124.82 1qxs s ILE 31 Ca -0.20 -1.73 -0.04 0.00 0.00 0.00 0.00 60.65 58.67 1qxs s ILE 31 Cb -0.01 -2.99 0.09 0.00 0.01 0.00 0.00 42.46 39.55 1qxs s ILE 31 CO 0.66 -0.29 0.17 -0.62 0.00 0.00 0.00 174.94 174.87 1qxs s ASP 32 N -3.78 1.95 -0.44 3.58 -1.08 0.45 -0.36 116.67 116.98 1qxs s ASP 32 Ca 0.34 -0.51 -0.29 0.00 -0.52 0.00 0.00 52.55 51.58 1qxs s ASP 32 Cb -0.05 0.11 0.01 0.00 -1.46 0.00 0.00 42.92 41.53 1qxs s ASP 32 CO 0.22 -0.35 1.39 -0.69 0.52 0.00 0.00 175.17 176.26 1qxs s VAL 33 N 2.24 3.91 -0.02 1.11 1.01 -1.26 -2.31 120.40 125.08 1qxs s VAL 33 Ca 0.06 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 62.88 1qxs s VAL 33 Cb -0.16 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1qxs s VAL 33 CO -0.15 -0.84 0.48 0.58 0.00 0.00 0.00 175.10 175.17 1qxs h VAL 34 N 6.44 0.00 -2.76 2.92 2.07 -1.63 -3.40 116.25 119.89 1qxs h VAL 34 Ca -0.27 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1qxs h VAL 34 Cb 1.10 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.67 1qxs h VAL 34 CO 1.10 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 178.55 1qxs s ALA 35 N -3.44 -1.06 0.14 1.67 0.00 -1.26 -1.29 121.76 116.52 1qxs s ALA 35 Ca -0.04 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1qxs s ALA 35 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1qxs s ALA 35 CO 0.12 -0.30 0.00 0.14 0.00 0.00 0.00 175.76 175.72 1qxs s VAL 36 N -1.37 3.86 -0.11 0.00 -7.23 0.01 -2.86 120.40 112.70 1qxs s VAL 36 Ca -0.12 -1.23 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1qxs s VAL 36 Cb -0.03 -2.90 0.02 0.00 0.56 0.00 0.00 36.38 34.03 1qxs s VAL 36 CO 0.05 -0.01 -0.11 0.54 -0.31 0.00 0.00 175.10 175.26 1qxs s VAL 37 N -1.55 1.20 0.18 1.32 0.11 -0.11 -1.73 120.40 119.82 1qxs s VAL 37 Ca 0.27 -0.43 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1qxs s VAL 37 Cb -0.10 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 1qxs s VAL 37 CO 0.19 0.39 0.17 -0.62 -3.33 0.00 0.00 175.10 171.89 1qxs s ASP 38 N 1.35 0.15 0.10 3.54 -1.08 -1.24 0.56 116.67 120.05 1qxs s ASP 38 Ca -0.01 -1.24 -0.25 0.00 -0.52 0.00 0.00 52.55 50.53 1qxs s ASP 38 Cb -0.14 0.39 -0.08 0.00 -1.46 0.00 0.00 42.92 41.63 1qxs s ASP 38 CO -0.05 -0.85 1.41 0.24 0.52 0.00 0.00 175.17 176.44 1qxs h MET 39 N 2.63 -0.28 -6.35 4.34 2.86 -1.94 0.01 114.93 116.19 1qxs h MET 39 Ca -0.34 0.02 -0.47 0.00 -2.06 0.00 0.00 59.70 56.85 1qxs h MET 39 Cb 1.23 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 1qxs h MET 39 CO 0.52 -0.19 -0.31 0.54 1.06 0.00 0.00 176.91 178.54 1qxs s ASN 40 N -4.50 6.31 0.00 1.22 2.20 -1.26 -4.06 114.94 114.85 1qxs s ASN 40 Ca -0.11 0.27 0.19 0.00 -0.94 0.00 0.00 52.86 52.27 1qxs s ASN 40 Cb 0.06 -1.95 -0.06 0.00 -2.00 0.00 0.00 41.25 37.30 1qxs s ASN 40 CO 0.46 -0.18 0.92 0.41 -2.94 0.00 0.00 177.10 175.77 1qxs n THR 41 N -1.57 0.00 -1.52 0.54 -1.04 -1.26 -4.87 114.28 104.56 1qxs n THR 41 Ca -0.07 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.05 61.31 1qxs n THR 41 Cb 0.56 1.16 -0.08 0.00 -1.82 0.00 0.00 70.33 70.16 1qxs n THR 41 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1qxs n ASP 42 N -0.44 1.51 0.09 8.00 -0.08 -1.26 -4.68 116.55 119.69 1qxs n ASP 42 Ca 0.07 -0.15 -0.06 0.00 -1.51 0.00 0.00 54.79 53.13 1qxs n ASP 42 Cb 0.37 -1.29 0.03 0.00 2.34 0.00 0.00 41.12 42.57 1qxs n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qxs h ALA 43 N 15.95 0.64 -0.18 -1.67 0.00 -1.93 -2.81 119.26 129.27 1qxs h ALA 43 Ca -0.17 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 1qxs h ALA 43 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1qxs h ALA 43 CO 1.24 0.90 -0.10 0.93 0.00 0.00 0.00 179.25 182.22 1qxs h GLU 44 N 0.08 0.28 0.00 0.00 5.08 -1.88 0.25 114.58 118.39 1qxs h GLU 44 Ca -0.03 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1qxs h GLU 44 Cb 1.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1qxs h GLU 44 CO 0.12 0.39 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.41 1qxs h TYR 45 N 0.27 0.00 0.10 4.33 3.20 -1.93 -2.72 116.97 120.21 1qxs h TYR 45 Ca 0.06 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 1qxs h TYR 45 Cb 0.34 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.63 1qxs h TYR 45 CO 0.01 0.18 -0.62 0.74 -1.64 0.00 0.00 178.16 176.83 1qxs h PHE 46 N 0.00 0.44 -0.02 -3.82 -1.00 -0.93 -2.74 116.94 108.88 1qxs h PHE 46 Ca -0.00 -0.31 0.01 0.00 2.81 0.00 0.00 57.97 60.47 1qxs h PHE 46 Cb 1.14 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 1qxs h PHE 46 CO 0.00 1.22 0.01 0.00 -1.61 0.00 0.00 178.31 177.94 1qxs h ALA 47 N 0.10 1.86 0.31 2.45 0.00 -0.59 -0.96 119.26 122.42 1qxs h ALA 47 Ca -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1qxs h ALA 47 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1qxs h ALA 47 CO 0.12 -0.02 -0.15 -0.92 0.00 0.00 0.00 179.25 178.28 1qxs h TYR 48 N 0.00 -0.39 -0.21 0.00 3.20 -1.49 -0.23 116.97 117.85 1qxs h TYR 48 Ca 0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1qxs h TYR 48 Cb 0.04 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1qxs h TYR 48 CO 0.00 -0.04 0.22 1.96 -1.64 0.00 0.00 178.16 178.66 1qxs h GLN 49 N -0.90 0.00 0.00 1.82 4.20 -1.08 -0.49 115.11 118.66 1qxs h GLN 49 Ca -0.04 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 1qxs h GLN 49 Cb 0.52 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1qxs h GLN 49 CO 0.07 0.00 -1.38 0.52 -0.67 0.00 0.00 178.83 177.37 1qxs h MET 50 N 0.00 0.00 -0.10 1.46 2.86 -1.14 -3.39 114.93 114.63 1qxs h MET 50 Ca 0.10 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.54 1qxs h MET 50 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1qxs h MET 50 CO -0.00 0.38 -0.77 -0.09 1.06 0.00 0.00 176.91 177.49 1qxs h ARG 51 N 0.00 0.56 -5.29 1.72 2.43 0.66 -3.36 114.38 111.10 1qxs h ARG 51 Ca -0.17 -0.47 -0.43 0.00 -0.81 0.00 0.00 59.98 58.11 1qxs h ARG 51 Cb 1.66 0.10 -0.23 0.00 -0.42 0.00 0.00 29.97 31.08 1qxs h ARG 51 CO 0.06 1.09 -0.79 0.71 -1.51 0.00 0.00 179.97 179.53 1qxs s TYR 52 N -3.64 1.20 -0.07 2.20 2.02 -1.06 -2.20 117.35 115.79 1qxs s TYR 52 Ca -0.07 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1qxs s TYR 52 Cb 0.10 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1qxs s TYR 52 CO 0.87 0.04 0.15 0.34 -1.57 0.00 0.00 175.55 175.38 1qxs s ASP 53 N -1.35 0.18 0.32 2.29 -1.08 -0.72 -4.74 116.67 111.57 1qxs s ASP 53 Ca -0.00 0.32 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 1qxs s ASP 53 Cb -0.09 0.23 0.69 0.00 -1.46 0.00 0.00 42.92 42.29 1qxs s ASP 53 CO 0.02 -0.18 1.85 0.74 0.52 0.00 0.00 175.17 178.12 1qxs h THR 54 N 6.17 0.87 0.00 1.71 2.02 -1.98 -2.68 112.91 119.03 1qxs h THR 54 Ca -0.33 -0.29 -0.31 0.00 0.77 0.00 0.00 66.41 66.25 1qxs h THR 54 Cb 1.13 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1qxs h THR 54 CO 0.33 0.15 -2.18 0.55 0.37 0.00 0.00 175.52 174.74 1qxs n VAL 55 N -4.59 1.18 0.62 3.16 3.14 -1.26 -4.63 118.33 115.95 1qxs n VAL 55 Ca 0.18 -0.45 0.06 0.00 -2.96 0.00 0.00 64.34 61.17 1qxs n VAL 55 Cb 0.41 -1.26 0.18 0.00 -1.06 0.00 0.00 33.84 32.11 1qxs n VAL 55 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1qxs n HIS 56 N -3.15 0.64 -4.43 1.45 8.25 -1.25 -4.95 115.22 111.77 1qxs n HIS 56 Ca -0.37 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 1qxs n HIS 56 Cb 0.88 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1qxs n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qxs n GLY 57 N 0.95 -0.56 3.80 -1.41 0.00 -1.01 -4.83 105.19 102.13 1qxs n GLY 57 Ca 0.13 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1qxs n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxs s LYS 58 N 0.00 4.16 0.25 1.61 1.02 -1.26 -1.75 119.74 123.76 1qxs s LYS 58 Ca 0.00 0.59 -0.31 0.00 0.02 0.00 0.00 55.97 56.27 1qxs s LYS 58 Cb 0.00 -3.28 -0.13 0.00 -0.52 0.00 0.00 37.83 33.90 1qxs s LYS 58 CO 0.00 0.53 1.48 0.34 -0.92 0.00 0.00 175.35 176.78 1qxs n PHE 59 N 2.24 2.39 0.16 3.18 7.35 -0.94 -4.92 117.46 126.94 1qxs n PHE 59 Ca -0.10 0.36 0.05 0.00 -0.76 0.00 0.00 57.45 57.00 1qxs n PHE 59 Cb 0.51 -2.51 0.13 0.00 0.35 0.00 0.00 39.48 37.96 1qxs n PHE 59 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1qxs h LYS 60 N 4.54 0.00 -6.22 -4.13 1.57 -1.91 -3.46 116.57 106.96 1qxs h LYS 60 Ca -0.46 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 1qxs h LYS 60 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1qxs h LYS 60 CO 0.78 0.40 -0.33 0.71 -0.57 0.00 0.00 179.45 180.44 1qxs s TYR 61 N -3.13 3.48 0.35 -1.35 1.51 -1.26 -5.08 117.35 111.86 1qxs s TYR 61 Ca 0.03 0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 56.18 1qxs s TYR 61 Cb 0.08 -1.86 -0.09 0.00 -0.11 0.00 0.00 41.96 39.98 1qxs s TYR 61 CO 0.72 0.38 1.08 -2.00 -1.11 0.00 0.00 175.55 174.61 1qxs s GLU 62 N -3.30 4.37 -0.09 -0.62 2.12 -1.26 -4.88 118.70 115.04 1qxs s GLU 62 Ca 0.38 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.38 1qxs s GLU 62 Cb -0.11 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.46 1qxs s GLU 62 CO 0.29 0.01 -0.07 0.08 -0.54 0.00 0.00 175.26 175.03 1qxs s VAL 63 N -1.42 0.86 0.30 3.70 1.01 -1.26 -1.37 120.40 122.21 1qxs s VAL 63 Ca 0.52 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1qxs s VAL 63 Cb -0.27 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1qxs s VAL 63 CO 0.34 0.32 0.14 0.42 0.00 0.00 0.00 175.10 176.32 1qxs s THR 64 N 1.42 0.43 0.08 3.92 -4.23 -0.42 -5.00 115.64 111.85 1qxs s THR 64 Ca -0.01 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1qxs s THR 64 Cb -0.13 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1qxs s THR 64 CO -0.04 0.00 -0.08 0.42 -0.54 0.00 0.00 174.62 174.38 1qxs s THR 65 N -3.63 0.72 0.00 3.99 -4.23 -1.26 0.43 115.64 111.67 1qxs s THR 65 Ca 0.36 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1qxs s THR 65 Cb 0.06 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1qxs s THR 65 CO 0.16 -0.66 0.00 0.35 -0.54 0.00 0.00 174.62 173.93 1qxs n THR 66 N 0.50 0.00 -4.63 3.99 -2.24 -0.33 -4.93 114.28 106.63 1qxs n THR 66 Ca -0.16 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 1qxs n THR 66 Cb 0.58 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.67 1qxs n THR 66 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qxs s LYS 67 N 1.17 1.21 0.29 -0.78 1.02 -1.26 -1.99 119.74 119.40 1qxs s LYS 67 Ca 0.00 -0.67 0.12 0.00 0.02 0.00 0.00 55.97 55.44 1qxs s LYS 67 Cb 0.00 -1.20 0.39 0.00 -0.52 0.00 0.00 37.83 36.50 1qxs s LYS 67 CO 0.00 0.32 1.62 0.66 -0.92 0.00 0.00 175.35 177.03 1qxs h SER 68 N 5.41 0.00 -3.60 2.83 4.64 -1.93 -3.44 113.55 117.46 1qxs h SER 68 Ca -0.37 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.76 1qxs h SER 68 Cb 1.16 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.97 1qxs h SER 68 CO 0.47 0.59 -0.48 -0.55 -0.87 0.00 0.00 176.83 175.98 1qxs s SER 69 N -6.78 -0.24 0.28 4.97 0.15 -1.26 -5.02 113.70 105.81 1qxs s SER 69 Ca -0.01 0.47 0.11 0.00 0.70 0.00 0.00 55.95 57.22 1qxs s SER 69 Cb 0.12 0.42 0.61 0.00 -1.71 0.00 0.00 66.02 65.46 1qxs s SER 69 CO 0.75 -0.12 1.23 -2.65 1.20 0.00 0.00 173.24 173.65 1qxs n PRO 70 N 3.57 0.08 -1.52 5.44 -0.02 -1.26 -1.93 135.00 139.35 1qxs n PRO 70 Ca -0.19 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 1qxs n PRO 70 Cb 0.56 -2.04 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 1qxs n PRO 70 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1qxs n SER 71 N -1.94 7.05 -4.01 2.55 3.41 -1.26 -4.91 113.62 114.51 1qxs n SER 71 Ca -0.01 -3.50 -0.25 0.00 -0.26 0.00 0.00 58.87 54.85 1qxs n SER 71 Cb 0.31 -1.11 -0.17 0.00 -0.26 0.00 0.00 64.21 62.98 1qxs n SER 71 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qxs s VAL 72 N -3.67 1.14 0.06 -3.33 1.01 -0.81 -5.07 120.40 109.74 1qxs s VAL 72 Ca 0.54 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1qxs s VAL 72 Cb 0.40 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1qxs s VAL 72 CO -0.22 0.36 1.26 0.00 0.00 0.00 0.00 175.10 176.50 1qxs h ALA 73 N 7.21 -0.56 -4.76 5.51 0.00 -1.91 -3.45 119.26 121.30 1qxs h ALA 73 Ca -0.31 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.17 1qxs h ALA 73 Cb 1.18 0.87 -0.07 0.00 0.00 0.00 0.00 17.79 19.77 1qxs h ALA 73 CO 0.47 -0.68 -0.29 1.63 0.00 0.00 0.00 179.25 180.37 1qxs n LYS 74 N -3.96 1.17 -2.18 0.00 5.02 -1.26 -5.10 118.16 111.85 1qxs n LYS 74 Ca -0.02 -2.38 -0.41 0.00 -2.02 0.00 0.00 58.31 53.48 1qxs n LYS 74 Cb 0.17 0.58 -0.03 0.00 -0.02 0.00 0.00 35.03 35.73 1qxs n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qxs s ASP 75 N -2.85 6.85 0.00 4.39 1.11 -1.26 -4.88 116.67 120.04 1qxs s ASP 75 Ca 0.03 2.44 0.00 0.00 0.18 0.00 0.00 52.55 55.20 1qxs s ASP 75 Cb -0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1qxs s ASP 75 CO 0.02 -0.56 0.18 -0.90 1.18 0.00 0.00 175.17 175.09 1qxs n ASP 76 N 2.64 0.36 -4.36 0.27 5.75 -0.84 -3.80 116.55 116.57 1qxs n ASP 76 Ca 0.06 -0.67 -0.33 0.00 -0.01 0.00 0.00 54.79 53.84 1qxs n ASP 76 Cb 0.42 0.45 -0.15 0.00 -1.03 0.00 0.00 41.12 40.81 1qxs n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1qxs s THR 77 N -0.45 2.88 -0.28 2.12 2.01 -0.88 -0.03 115.64 121.01 1qxs s THR 77 Ca 0.00 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 1qxs s THR 77 Cb 0.00 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 1qxs s THR 77 CO 0.00 0.54 0.13 -0.22 -0.69 0.00 0.00 174.62 174.37 1qxs s LEU 78 N 0.22 3.83 -0.38 4.42 2.96 0.25 -1.19 118.68 128.78 1qxs s LEU 78 Ca -0.10 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 1qxs s LEU 78 Cb -0.16 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1qxs s LEU 78 CO 0.06 -0.11 0.21 -0.69 -1.32 0.00 0.00 176.35 174.50 1qxs s VAL 79 N 1.64 4.51 -0.29 1.68 1.01 0.17 -0.59 120.40 128.53 1qxs s VAL 79 Ca 0.06 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1qxs s VAL 79 Cb -0.16 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1qxs s VAL 79 CO 0.06 -0.27 0.09 -0.69 0.00 0.00 0.00 175.10 174.29 1qxs s VAL 80 N 1.53 4.17 -1.41 2.92 1.01 0.01 -1.30 120.40 127.34 1qxs s VAL 80 Ca 0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1qxs s VAL 80 Cb -0.20 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1qxs s VAL 80 CO 0.06 0.13 0.32 -3.20 0.00 0.00 0.00 175.10 172.41 1qxs n ASN 81 N 4.90 -1.03 0.00 3.32 4.05 -0.47 -0.60 115.26 125.44 1qxs n ASN 81 Ca -0.15 -1.21 0.00 0.00 0.45 0.00 0.00 54.58 53.67 1qxs n ASN 81 Cb 0.49 -2.05 0.00 0.00 1.23 0.00 0.00 39.78 39.45 1qxs n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qxs n GLY 82 N -2.27 1.74 3.75 8.20 0.00 -1.26 -4.98 105.19 110.36 1qxs n GLY 82 Ca -0.25 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1qxs n GLY 82 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qxs n HIS 83 N 0.00 2.65 -4.20 1.61 -0.00 0.23 -4.99 115.22 110.53 1qxs n HIS 83 Ca 0.00 0.46 -0.34 0.00 -0.00 0.00 0.00 57.72 57.84 1qxs n HIS 83 Cb 0.00 -2.46 -0.10 0.00 -0.00 0.00 0.00 29.99 27.42 1qxs n HIS 83 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1qxs s ARG 84 N -2.24 3.74 -0.06 1.57 0.52 -1.26 -0.81 118.95 120.40 1qxs s ARG 84 Ca 0.58 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 1qxs s ARG 84 Cb -0.48 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 31.95 1qxs s ARG 84 CO 0.60 0.32 -0.11 0.42 0.02 0.00 0.00 175.30 176.56 1qxs s ILE 85 N 0.18 1.04 0.11 1.52 1.09 0.24 -4.70 121.20 120.69 1qxs s ILE 85 Ca 0.02 -0.42 -0.17 0.00 -1.10 0.00 0.00 60.65 58.98 1qxs s ILE 85 Cb -0.13 -0.97 -0.07 0.00 -1.06 0.00 0.00 42.46 40.23 1qxs s ILE 85 CO 0.01 0.34 0.57 -0.22 -0.10 0.00 0.00 174.94 175.54 1qxs s LEU 86 N 0.73 4.43 -0.51 2.97 2.96 -0.41 0.84 118.68 129.68 1qxs s LEU 86 Ca -0.14 1.18 -0.09 0.00 -0.22 0.00 0.00 54.13 54.86 1qxs s LEU 86 Cb -0.16 -3.10 0.13 0.00 0.50 0.00 0.00 46.19 43.56 1qxs s LEU 86 CO 0.03 0.18 0.39 0.00 -1.32 0.00 0.00 176.35 175.63 1qxs s VAL 88 N 1.20 4.54 0.09 0.00 -7.23 -0.71 -4.91 120.40 113.38 1qxs s VAL 88 Ca 0.07 1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 61.13 1qxs s VAL 88 Cb -0.25 -3.70 -0.06 0.00 0.56 0.00 0.00 36.38 32.93 1qxs s VAL 88 CO -0.01 -0.60 1.18 -0.75 -0.31 0.00 0.00 175.10 174.61 1qxs s LYS 89 N -3.87 4.46 0.17 4.82 2.36 -1.26 -3.60 119.74 122.81 1qxs s LYS 89 Ca 0.58 1.77 -0.02 0.00 -2.55 0.00 0.00 55.97 55.75 1qxs s LYS 89 Cb -0.10 -3.33 0.03 0.00 -1.05 0.00 0.00 37.83 33.39 1qxs s LYS 89 CO 0.28 -0.19 0.08 0.00 1.55 0.00 0.00 175.35 177.07 1qxs n ALA 90 N 3.54 -0.46 -3.71 3.13 0.00 -0.01 -4.83 120.51 118.17 1qxs n ALA 90 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1qxs n ALA 90 Cb 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 1qxs n ALA 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1qxs s GLN 91 N -1.95 1.14 -0.00 0.00 -0.44 -1.26 -5.00 119.66 112.15 1qxs s GLN 91 Ca 0.06 -0.60 0.09 0.00 -2.50 0.00 0.00 55.36 52.41 1qxs s GLN 91 Cb -0.01 0.41 -0.10 0.00 -1.64 0.00 0.00 33.01 31.66 1qxs s GLN 91 CO 0.05 -0.52 0.40 -2.13 0.50 0.00 0.00 175.29 173.59 1qxs n ARG 92 N -0.43 3.76 -3.96 1.67 0.63 -1.26 -4.90 116.66 112.17 1qxs n ARG 92 Ca -0.07 -0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.57 1qxs n ARG 92 Cb 0.61 -0.96 -0.16 0.00 0.45 0.00 0.00 32.46 32.40 1qxs n ARG 92 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1qxs s ASN 93 N -1.93 3.05 0.46 6.15 3.04 -1.26 -5.01 114.94 119.44 1qxs s ASN 93 Ca 0.03 -0.73 0.21 0.00 0.04 0.00 0.00 52.86 52.41 1qxs s ASN 93 Cb 0.07 -1.10 1.15 0.00 -1.54 0.00 0.00 41.25 39.83 1qxs s ASN 93 CO 0.39 -0.14 1.60 -0.65 -3.04 0.00 0.00 177.10 175.25 1qxs h PRO 94 N 8.04 0.00 -0.05 0.43 0.11 -1.90 -2.38 132.00 136.25 1qxs h PRO 94 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1qxs h PRO 94 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qxs h PRO 94 CO 0.46 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.00 1qxs h ALA 95 N 1.35 0.10 0.00 -0.75 0.00 -1.93 -3.23 119.26 114.80 1qxs h ALA 95 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1qxs h ALA 95 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qxs h ALA 95 CO 0.00 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 1qxs n ASP 96 N -4.50 0.11 -4.78 0.00 8.00 -0.89 -4.54 116.55 109.94 1qxs n ASP 96 Ca -0.08 -0.29 -0.37 0.00 0.71 0.00 0.00 54.79 54.76 1qxs n ASP 96 Cb 0.47 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1qxs n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qxs s LEU 97 N -0.24 4.31 -0.12 0.64 2.01 -1.22 -5.00 118.68 119.08 1qxs s LEU 97 Ca 0.00 0.56 0.00 0.00 0.01 0.00 0.00 54.13 54.70 1qxs s LEU 97 Cb 0.00 -2.33 0.12 0.00 0.01 0.00 0.00 46.19 43.99 1qxs s LEU 97 CO 0.00 0.21 1.60 -0.81 1.01 0.00 0.00 176.35 178.36 1qxs n PRO 98 N 2.91 1.30 -0.07 1.29 -0.04 -1.26 -4.64 135.00 134.48 1qxs n PRO 98 Ca -0.14 -0.65 -0.10 0.00 -0.04 0.00 0.00 63.50 62.57 1qxs n PRO 98 Cb 0.53 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 1qxs n PRO 98 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1qxs h TRP 99 N 0.70 -1.04 -0.55 0.54 -0.00 -1.84 0.25 115.95 114.02 1qxs h TRP 99 Ca 0.13 0.05 0.07 0.00 -0.00 0.00 0.00 58.89 59.14 1qxs h TRP 99 Cb 1.18 0.50 -0.06 0.00 -0.00 0.00 0.00 29.16 30.78 1qxs h TRP 99 CO 0.40 -0.42 0.23 0.78 -0.00 0.00 0.00 178.44 179.44 1qxs h GLY 100 N -0.34 0.76 0.99 1.49 0.00 0.32 0.62 103.07 106.91 1qxs h GLY 100 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1qxs h GLY 100 CO -0.48 0.05 0.22 1.70 0.00 0.00 0.00 176.54 178.02 1qxs h LYS 101 N 0.44 0.88 0.00 4.80 3.64 -1.67 -0.63 116.57 124.03 1qxs h LYS 101 Ca 0.26 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1qxs h LYS 101 Cb 0.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1qxs h LYS 101 CO -0.23 0.77 0.00 1.28 -2.27 0.00 0.00 179.45 179.00 1qxs n LEU 102 N -4.46 0.50 -0.54 5.20 7.99 0.84 -4.86 117.00 121.66 1qxs n LEU 102 Ca 0.03 0.63 -0.05 0.00 -0.01 0.00 0.00 56.01 56.61 1qxs n LEU 102 Cb 0.18 -0.58 -0.00 0.00 -0.11 0.00 0.00 43.42 42.91 1qxs n LEU 102 CO 0.39 -0.52 -0.06 0.61 -1.51 0.00 0.00 177.39 176.30 1qxs n GLY 103 N -0.14 0.22 3.55 -0.72 0.00 0.17 -5.01 105.19 103.26 1qxs n GLY 103 Ca 0.02 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1qxs n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qxs s VAL 104 N -2.24 5.05 -0.16 1.61 1.01 0.13 -4.78 120.40 121.02 1qxs s VAL 104 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1qxs s VAL 104 Cb 0.00 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.20 1qxs s VAL 104 CO 0.00 -0.22 0.22 -1.84 0.00 0.00 0.00 175.10 173.27 1qxs n GLU 105 N 5.67 0.70 -3.65 2.72 0.28 -0.93 -3.93 120.64 121.50 1qxs n GLU 105 Ca -0.06 0.30 -0.38 0.00 -0.16 0.00 0.00 57.16 56.86 1qxs n GLU 105 Cb 0.49 -1.68 -0.12 0.00 1.43 0.00 0.00 31.44 31.56 1qxs n GLU 105 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1qxs s TYR 106 N -2.52 3.18 -0.09 -1.84 1.51 -1.02 -0.58 117.35 115.99 1qxs s TYR 106 Ca -0.26 -0.47 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 1qxs s TYR 106 Cb 0.07 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1qxs s TYR 106 CO 0.70 -0.41 -0.15 0.14 -1.11 0.00 0.00 175.55 174.72 1qxs s VAL 107 N 1.64 2.91 -0.33 0.71 -7.23 -1.02 0.11 120.40 117.19 1qxs s VAL 107 Ca 0.05 -0.75 -0.14 0.00 -1.81 0.00 0.00 61.98 59.34 1qxs s VAL 107 Cb -0.17 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 1qxs s VAL 107 CO 0.07 0.56 0.31 -0.63 -0.31 0.00 0.00 175.10 175.10 1qxs s ILE 108 N -0.16 5.22 -0.68 -0.62 1.01 0.42 -2.30 121.20 124.10 1qxs s ILE 108 Ca -0.01 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 1qxs s ILE 108 Cb -0.14 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 38.64 1qxs s ILE 108 CO 0.03 -0.00 1.08 -1.61 0.00 0.00 0.00 174.94 174.44 1qxs s GLU 109 N 1.92 3.16 -0.01 2.79 0.41 -0.82 -0.82 118.70 125.33 1qxs s GLU 109 Ca 0.10 -0.56 0.02 0.00 -0.41 0.00 0.00 54.97 54.12 1qxs s GLU 109 Cb -0.17 -4.19 0.03 0.00 -1.78 0.00 0.00 34.13 28.02 1qxs s GLU 109 CO 0.11 -1.91 0.86 -1.13 -0.49 0.00 0.00 175.26 172.70 1qxs n SER 110 N 8.30 1.28 0.21 -0.19 3.41 -0.83 -0.81 113.62 124.99 1qxs n SER 110 Ca -0.01 -1.79 0.06 0.00 -0.26 0.00 0.00 58.87 56.87 1qxs n SER 110 Cb 0.47 -0.05 0.46 0.00 -0.26 0.00 0.00 64.21 64.82 1qxs n SER 110 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1qxs h THR 111 N 1.37 1.04 -0.03 6.66 1.35 -1.67 -3.45 112.91 118.17 1qxs h THR 111 Ca 0.00 -1.04 -0.01 0.00 -0.55 0.00 0.00 66.41 64.80 1qxs h THR 111 Cb 0.76 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 1qxs h THR 111 CO 0.00 0.28 -0.01 0.61 -0.25 0.00 0.00 175.52 176.15 1qxs n GLY 112 N -0.51 0.46 0.12 5.82 0.00 -1.26 -4.86 105.19 104.97 1qxs n GLY 112 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1qxs n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qxs n LEU 113 N -0.08 0.86 -2.15 0.99 4.77 -1.26 -4.68 117.00 115.45 1qxs n LEU 113 Ca -0.01 -0.75 -0.10 0.00 -0.03 0.00 0.00 56.01 55.13 1qxs n LEU 113 Cb 0.09 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1qxs n LEU 113 CO 0.01 0.19 0.11 0.49 -1.33 0.00 0.00 177.39 176.86 1qxs n PHE 114 N -0.40 1.68 0.52 -1.77 3.72 -1.26 -4.83 117.46 115.11 1qxs n PHE 114 Ca 0.02 -1.98 0.05 0.00 -0.05 0.00 0.00 57.45 55.50 1qxs n PHE 114 Cb 0.11 -0.27 0.26 0.00 -0.94 0.00 0.00 39.48 38.64 1qxs n PHE 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qxs n THR 115 N -0.61 0.53 -3.04 4.37 -2.24 -1.26 -3.75 114.28 108.28 1qxs n THR 115 Ca 0.24 0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.77 1qxs n THR 115 Cb 0.89 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 1qxs n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qxs s ALA 116 N -2.39 3.46 0.13 6.98 0.00 -1.26 -1.18 121.76 127.49 1qxs s ALA 116 Ca 0.11 0.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 1qxs s ALA 116 Cb 0.07 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1qxs s ALA 116 CO 0.14 0.31 1.74 -0.22 0.00 0.00 0.00 175.76 177.73 1qxs h LYS 117 N 4.16 0.11 -0.23 0.00 1.63 -1.22 0.62 116.57 121.64 1qxs h LYS 117 Ca -0.48 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.28 1qxs h LYS 117 Cb 1.20 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 1qxs h LYS 117 CO 0.65 0.07 0.00 0.00 -3.45 0.00 0.00 179.45 176.73 1qxs h ALA 118 N 1.14 0.32 0.77 5.00 0.00 -1.84 -2.89 119.26 121.76 1qxs h ALA 118 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1qxs h ALA 118 Cb 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qxs h ALA 118 CO -0.12 0.04 -0.37 0.00 0.00 0.00 0.00 179.25 178.80 1qxs h ALA 119 N 0.81 -1.27 0.00 0.00 0.00 -1.86 -2.79 119.26 114.14 1qxs h ALA 119 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1qxs h ALA 119 Cb 0.40 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1qxs h ALA 119 CO 0.01 -1.20 0.12 0.00 0.00 0.00 0.00 179.25 178.18 1qxs n ALA 120 N -2.52 0.78 0.63 0.00 0.00 0.20 -1.66 120.51 117.93 1qxs n ALA 120 Ca -0.13 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1qxs n ALA 120 Cb 0.41 -0.79 0.41 0.00 0.00 0.00 0.00 19.45 19.48 1qxs n ALA 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qxs n GLU 121 N -1.43 0.02 -0.31 0.00 1.02 -1.05 -3.44 120.64 115.45 1qxs n GLU 121 Ca -0.00 0.20 0.04 0.00 -0.02 0.00 0.00 57.16 57.37 1qxs n GLU 121 Cb 0.12 -1.53 0.18 0.00 -0.02 0.00 0.00 31.44 30.19 1qxs n GLU 121 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1qxs h GLY 122 N 3.20 1.37 -0.01 0.62 0.00 -1.49 -1.60 103.07 105.15 1qxs h GLY 122 Ca 0.00 -0.34 0.20 0.00 0.00 0.00 0.00 47.33 47.19 1qxs h GLY 122 CO 0.00 0.14 0.47 0.45 0.00 0.00 0.00 176.54 177.59 1qxs h HIS 123 N 0.84 0.80 -0.90 5.60 3.86 -1.63 0.23 115.15 123.94 1qxs h HIS 123 Ca 0.42 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.74 1qxs h HIS 123 Cb 0.39 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 1qxs h HIS 123 CO -0.05 0.08 0.57 -0.07 0.86 0.00 0.00 177.93 179.32 1qxs h LEU 124 N 0.55 0.89 -0.06 2.43 3.38 -1.32 0.50 115.31 121.67 1qxs h LEU 124 Ca 0.54 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1qxs h LEU 124 Cb 0.93 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1qxs h LEU 124 CO -0.45 0.56 0.00 0.54 0.09 0.00 0.00 178.44 179.18 1qxs n ARG 125 N -4.59 0.13 -0.43 1.13 1.74 0.60 -2.55 116.66 112.68 1qxs n ARG 125 Ca 0.14 0.15 0.02 0.00 -0.77 0.00 0.00 57.85 57.38 1qxs n ARG 125 Cb 0.19 -1.66 0.18 0.00 -1.02 0.00 0.00 32.46 30.15 1qxs n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qxs n GLY 126 N 1.17 2.28 2.60 -0.13 0.00 0.16 -4.82 105.19 106.43 1qxs n GLY 126 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1qxs n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxs n GLY 127 N 0.24 2.30 3.72 -0.02 0.00 -1.06 0.88 105.19 111.27 1qxs n GLY 127 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1qxs n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxs s ALA 128 N -3.02 3.35 -0.00 4.61 0.00 -0.10 -4.20 121.76 122.40 1qxs s ALA 128 Ca 0.00 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 1qxs s ALA 128 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1qxs s ALA 128 CO 0.00 -0.30 0.57 -0.09 0.00 0.00 0.00 175.76 175.94 1qxs h ARG 129 N 6.02 -0.10 -6.16 0.00 2.43 -1.04 -3.25 114.38 112.27 1qxs h ARG 129 Ca -0.43 0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.16 1qxs h ARG 129 Cb 1.21 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.67 1qxs h ARG 129 CO 0.76 -0.07 -0.69 0.15 -1.51 0.00 0.00 179.97 178.61 1qxs s LYS 130 N -2.32 1.96 -0.04 0.20 -0.14 0.25 -4.81 119.74 114.85 1qxs s LYS 130 Ca -0.02 -1.66 -0.01 0.00 -1.36 0.00 0.00 55.97 52.93 1qxs s LYS 130 Cb 0.00 -1.93 0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1qxs s LYS 130 CO 0.05 0.30 0.02 0.08 -0.76 0.00 0.00 175.35 175.04 1qxs s VAL 131 N -2.45 0.09 -0.40 3.17 1.01 0.18 -2.43 120.40 119.55 1qxs s VAL 131 Ca 0.31 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1qxs s VAL 131 Cb -0.04 -0.25 0.10 0.00 0.00 0.00 0.00 36.38 36.19 1qxs s VAL 131 CO 0.17 0.17 0.20 -0.69 0.00 0.00 0.00 175.10 174.95 1qxs s VAL 132 N 1.53 3.39 -0.31 2.92 1.01 -0.97 0.00 120.40 127.96 1qxs s VAL 132 Ca -0.03 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 1qxs s VAL 132 Cb -0.13 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1qxs s VAL 132 CO -0.03 -0.63 1.35 -0.63 0.00 0.00 0.00 175.10 175.16 1qxs s ILE 133 N 1.19 4.06 -0.35 2.22 1.01 0.24 -1.94 121.20 127.62 1qxs s ILE 133 Ca 0.06 1.18 -0.06 0.00 0.00 0.00 0.00 60.65 61.83 1qxs s ILE 133 Cb -0.23 -4.13 -0.20 0.00 0.01 0.00 0.00 42.46 37.91 1qxs s ILE 133 CO -0.03 -0.51 3.19 -1.54 0.00 0.00 0.00 174.94 176.05 1qxs n SER 134 N 7.91 5.50 -3.61 3.58 3.41 0.01 -1.86 113.62 128.56 1qxs n SER 134 Ca 0.15 -2.42 -0.02 0.00 -0.26 0.00 0.00 58.87 56.33 1qxs n SER 134 Cb 0.47 -1.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 1qxs n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qxs s ALA 135 N 1.50 -2.18 0.33 7.33 0.00 -1.25 -4.91 121.76 122.59 1qxs s ALA 135 Ca 0.61 1.54 -0.27 0.00 0.00 0.00 0.00 51.96 53.84 1qxs s ALA 135 Cb 0.26 -0.12 -0.13 0.00 0.00 0.00 0.00 23.12 23.13 1qxs s ALA 135 CO -0.01 -0.68 1.05 -2.30 0.00 0.00 0.00 175.76 173.82 1qxs n PRO 136 N -0.15 1.48 -4.43 0.00 -0.02 -1.25 -4.28 135.00 126.35 1qxs n PRO 136 Ca 0.00 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 1qxs n PRO 136 Cb 0.59 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 1qxs n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qxs s ALA 137 N -1.13 2.55 0.00 3.55 0.00 -1.26 -4.82 121.76 120.65 1qxs s ALA 137 Ca 0.59 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1qxs s ALA 137 Cb -0.64 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1qxs s ALA 137 CO 0.60 0.29 0.00 -1.13 0.00 0.00 0.00 175.76 175.52 1qxs n SER 138 N -0.29 1.97 -1.47 0.00 3.41 -0.33 -4.65 113.62 112.27 1qxs n SER 138 Ca -0.08 -0.88 -0.14 0.00 -0.26 0.00 0.00 58.87 57.52 1qxs n SER 138 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 1qxs n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qxs n GLY 139 N 5.00 0.16 3.58 5.00 0.00 -1.26 -0.82 105.19 116.85 1qxs n GLY 139 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 1qxs n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxs n GLY 140 N -1.07 -0.41 3.81 -0.02 0.00 -1.26 -4.58 105.19 101.66 1qxs n GLY 140 Ca -0.16 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1qxs n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxs s ALA 141 N -3.40 3.48 0.02 4.61 0.00 -1.14 -5.01 121.76 120.30 1qxs s ALA 141 Ca 0.23 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1qxs s ALA 141 Cb -0.11 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 1qxs s ALA 141 CO 0.76 0.35 1.56 0.21 0.00 0.00 0.00 175.76 178.65 1qxs s LYS 142 N -1.70 4.22 -0.02 0.00 2.47 -1.26 -4.77 119.74 118.69 1qxs s LYS 142 Ca 0.39 2.17 -0.14 0.00 -1.56 0.00 0.00 55.97 56.83 1qxs s LYS 142 Cb -0.18 -3.68 -0.05 0.00 -1.46 0.00 0.00 37.83 32.46 1qxs s LYS 142 CO 0.21 -0.71 0.37 0.99 0.16 0.00 0.00 175.35 176.37 1qxs s THR 143 N 2.88 5.10 -0.03 3.43 2.01 -1.26 -0.79 115.64 126.98 1qxs s THR 143 Ca 0.70 0.75 -0.01 0.00 0.31 0.00 0.00 61.69 63.44 1qxs s THR 143 Cb -0.35 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.52 1qxs s THR 143 CO 0.29 0.58 0.05 -0.76 -0.69 0.00 0.00 174.62 174.10 1qxs s LEU 144 N -1.07 0.55 -0.28 4.42 1.43 0.07 -4.89 118.68 118.90 1qxs s LEU 144 Ca 0.22 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1qxs s LEU 144 Cb -0.16 -0.11 0.03 0.00 0.03 0.00 0.00 46.19 45.98 1qxs s LEU 144 CO 0.12 -0.20 0.01 -0.69 0.23 0.00 0.00 176.35 175.82 1qxs s VAL 145 N 1.69 3.29 0.02 -1.59 1.01 -1.26 -4.37 120.40 119.19 1qxs s VAL 145 Ca -0.01 -1.05 -0.36 0.00 0.00 0.00 0.00 61.98 60.56 1qxs s VAL 145 Cb -0.12 -2.76 -0.15 0.00 0.00 0.00 0.00 36.38 33.34 1qxs s VAL 145 CO -0.03 0.04 1.53 0.23 0.00 0.00 0.00 175.10 176.87 1qxs n MET 146 N 4.72 1.49 -0.05 2.72 2.81 -1.26 -0.78 117.12 126.77 1qxs n MET 146 Ca -0.15 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1qxs n MET 146 Cb 0.46 -2.24 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 1qxs n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qxs n GLY 147 N 3.24 1.52 0.61 3.03 0.00 -1.26 -4.85 105.19 107.49 1qxs n GLY 147 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1qxs n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qxs n VAL 148 N -2.00 0.77 -1.92 1.61 0.31 0.04 -4.93 118.33 112.21 1qxs n VAL 148 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1qxs n VAL 148 Cb 0.00 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1qxs n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1qxs n ASN 149 N -3.60 0.00 0.13 4.52 6.94 -1.02 -4.91 115.26 117.32 1qxs n ASN 149 Ca -0.23 -1.45 0.08 0.00 -0.02 0.00 0.00 54.58 52.97 1qxs n ASN 149 Cb 0.62 -0.09 0.44 0.00 -2.36 0.00 0.00 39.78 38.39 1qxs n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qxs n HIS 150 N 0.00 0.54 1.88 -2.53 1.44 -1.23 -0.82 115.22 114.51 1qxs n HIS 150 Ca 0.00 0.28 0.12 0.00 -2.01 0.00 0.00 57.72 56.12 1qxs n HIS 150 Cb 0.59 -0.90 0.68 0.00 0.12 0.00 0.00 29.99 30.48 1qxs n HIS 150 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1qxs n HIS 151 N -2.07 0.02 -0.69 -1.40 8.25 -1.26 -2.87 115.22 115.20 1qxs n HIS 151 Ca -0.01 -0.01 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 1qxs n HIS 151 Cb 0.10 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.46 1qxs n HIS 151 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1qxs n GLU 152 N -0.67 3.32 -2.92 -0.41 1.02 0.00 -4.85 120.64 116.12 1qxs n GLU 152 Ca 0.18 -2.56 -0.43 0.00 -0.02 0.00 0.00 57.16 54.33 1qxs n GLU 152 Cb 0.13 -2.07 -0.05 0.00 -0.02 0.00 0.00 31.44 29.43 1qxs n GLU 152 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1qxs s TYR 153 N -2.58 2.93 -0.47 -0.32 5.04 -1.14 -5.00 117.35 115.81 1qxs s TYR 153 Ca 0.46 0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 55.02 1qxs s TYR 153 Cb 0.37 -3.81 0.08 0.00 0.35 0.00 0.00 41.96 38.94 1qxs s TYR 153 CO 0.11 -1.11 0.39 1.21 -1.34 0.00 0.00 175.55 174.81 1qxs s ASN 154 N 2.40 6.11 0.19 4.32 3.84 -1.26 -4.98 114.94 125.56 1qxs s ASN 154 Ca 0.30 -1.37 -0.22 0.00 0.21 0.00 0.00 52.86 51.78 1qxs s ASN 154 Cb -0.12 -2.17 0.12 0.00 -0.55 0.00 0.00 41.25 38.53 1qxs s ASN 154 CO 0.21 -0.65 1.57 -0.65 -2.79 0.00 0.00 177.10 174.79 1qxs h PRO 155 N 8.74 -0.13 0.00 0.43 0.11 -1.93 0.29 132.00 139.50 1qxs h PRO 155 Ca -0.28 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1qxs h PRO 155 Cb 1.11 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qxs h PRO 155 CO 0.88 -0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 1qxs n SER 156 N -5.43 0.00 -0.01 -2.05 3.41 -1.26 -3.67 113.62 104.60 1qxs n SER 156 Ca 0.05 -1.24 -0.03 0.00 -0.26 0.00 0.00 58.87 57.39 1qxs n SER 156 Cb 0.36 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1qxs n SER 156 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1qxs n GLU 157 N -0.74 0.07 -3.69 4.33 4.07 0.06 -5.01 120.64 119.72 1qxs n GLU 157 Ca 0.10 0.02 -0.38 0.00 -0.06 0.00 0.00 57.16 56.84 1qxs n GLU 157 Cb 0.04 -0.75 -0.12 0.00 -0.06 0.00 0.00 31.44 30.56 1qxs n GLU 157 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1qxs s HIS 158 N -2.05 3.14 -0.01 4.31 0.09 0.80 -4.91 115.29 116.66 1qxs s HIS 158 Ca -0.04 -0.49 0.01 0.00 -0.00 0.00 0.00 55.06 54.53 1qxs s HIS 158 Cb 0.01 -2.31 -0.01 0.00 -0.00 0.00 0.00 32.58 30.28 1qxs s HIS 158 CO 0.06 -0.41 0.01 0.72 -0.00 0.00 0.00 174.74 175.13 1qxs n HIS 159 N 4.96 0.00 -3.68 1.40 8.25 -1.26 -4.65 115.22 120.24 1qxs n HIS 159 Ca -0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.02 1qxs n HIS 159 Cb 0.50 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.46 1qxs n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qxs s VAL 160 N -1.77 0.74 0.40 1.59 1.01 -1.26 0.47 120.40 121.58 1qxs s VAL 160 Ca -0.00 -1.49 0.07 0.00 0.00 0.00 0.00 61.98 60.56 1qxs s VAL 160 Cb 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 1qxs s VAL 160 CO 0.02 -0.74 0.12 0.68 0.00 0.00 0.00 175.10 175.18 1qxs s VAL 161 N 1.46 2.28 0.02 2.92 -7.23 0.10 -4.11 120.40 115.84 1qxs s VAL 161 Ca 0.12 -1.80 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1qxs s VAL 161 Cb -0.19 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1qxs s VAL 161 CO -0.21 -0.03 -0.18 -0.55 -0.31 0.00 0.00 175.10 173.83 1qxs s SER 162 N -3.84 3.80 -0.14 4.85 0.15 0.03 0.80 113.70 119.35 1qxs s SER 162 Ca 0.39 -0.38 0.17 0.00 0.70 0.00 0.00 55.95 56.83 1qxs s SER 162 Cb 0.05 -0.64 0.73 0.00 -1.71 0.00 0.00 66.02 64.44 1qxs s SER 162 CO 0.21 0.28 1.64 -3.20 1.20 0.00 0.00 173.24 173.37 1qxs n ASN 163 N 1.74 4.92 -0.64 5.45 5.15 -0.78 -0.75 115.26 130.35 1qxs n ASN 163 Ca -0.16 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 1qxs n ASN 163 Cb 0.52 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1qxs n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qxs n ALA 164 N 0.89 0.00 -2.03 5.20 0.00 -1.26 -4.77 120.51 118.53 1qxs n ALA 164 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1qxs n ALA 164 Cb 0.96 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.48 1qxs n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qxs s SER 165 N -4.00 4.91 0.06 0.00 1.04 -1.26 -3.80 113.70 110.65 1qxs s SER 165 Ca 0.00 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 55.43 1qxs s SER 165 Cb 0.00 0.38 -0.16 0.00 0.10 0.00 0.00 66.02 66.34 1qxs s SER 165 CO 0.00 -1.50 1.28 0.00 0.98 0.00 0.00 173.24 174.00 1qxs h THR 167 N 0.22 1.24 -0.90 0.00 2.02 -1.96 -2.99 112.91 110.54 1qxs h THR 167 Ca -0.02 -0.77 0.10 0.00 0.77 0.00 0.00 66.41 66.49 1qxs h THR 167 Cb 1.09 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 68.95 1qxs h THR 167 CO 0.10 0.22 0.54 0.74 0.37 0.00 0.00 175.52 177.50 1qxs h THR 168 N -0.04 0.94 0.00 3.16 2.02 -1.83 0.38 112.91 117.54 1qxs h THR 168 Ca 0.04 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1qxs h THR 168 Cb 0.34 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1qxs h THR 168 CO 0.00 0.17 0.00 0.59 0.37 0.00 0.00 175.52 176.65 1qxs n ASN 169 N -4.67 0.00 -0.11 4.18 3.02 -1.00 0.26 115.26 116.94 1qxs n ASN 169 Ca 0.15 0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.74 1qxs n ASN 169 Cb 0.28 -0.31 -0.11 0.00 -0.61 0.00 0.00 39.78 39.04 1qxs n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qxs h LEU 171 N 0.00 0.46 -0.22 0.00 6.46 -0.55 -3.32 115.31 118.13 1qxs h LEU 171 Ca -0.49 -0.76 0.06 0.00 -0.12 0.00 0.00 57.88 56.56 1qxs h LEU 171 Cb 1.79 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 41.52 1qxs h LEU 171 CO -0.07 1.16 -0.24 0.00 -0.62 0.00 0.00 178.44 178.67 1qxs h ALA 172 N 0.30 -0.14 -0.96 1.25 0.00 -0.44 -0.39 119.26 118.88 1qxs h ALA 172 Ca -0.06 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1qxs h ALA 172 Cb 1.24 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 1qxs h ALA 172 CO 0.10 -0.67 0.60 -1.35 0.00 0.00 0.00 179.25 177.93 1qxs h PRO 173 N -0.26 0.97 0.00 0.00 0.11 -1.77 0.20 132.00 131.25 1qxs h PRO 173 Ca 0.13 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1qxs h PRO 173 Cb 0.46 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1qxs h PRO 173 CO -0.37 0.64 -0.00 0.82 -0.21 0.00 0.00 178.00 178.87 1qxs h ILE 174 N 0.99 1.15 -0.07 4.15 1.08 -1.43 -2.42 117.51 120.97 1qxs h ILE 174 Ca 0.45 -0.45 -0.07 0.00 -0.39 0.00 0.00 64.86 64.41 1qxs h ILE 174 Cb 0.37 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 1qxs h ILE 174 CO -0.24 0.12 -0.26 0.58 -0.69 0.00 0.00 178.15 177.66 1qxs h VAL 175 N -0.20 1.22 -0.37 1.67 2.07 -0.64 -2.29 116.25 117.71 1qxs h VAL 175 Ca -0.00 -1.03 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 1qxs h VAL 175 Cb 0.19 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1qxs h VAL 175 CO 0.00 0.30 -0.30 -0.74 0.02 0.00 0.00 177.57 176.86 1qxs h HIS 176 N 0.11 0.93 -0.11 1.57 -0.00 -0.49 -0.65 115.15 116.50 1qxs h HIS 176 Ca 0.02 -0.24 -0.15 0.00 -0.00 0.00 0.00 60.37 59.99 1qxs h HIS 176 Cb 0.53 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1qxs h HIS 176 CO 0.00 1.00 -0.59 0.28 -0.00 0.00 0.00 177.93 178.62 1qxs h VAL 177 N 0.68 1.36 -0.34 5.26 2.07 -1.22 -0.81 116.25 123.26 1qxs h VAL 177 Ca 0.08 -1.91 -0.07 0.00 0.82 0.00 0.00 66.70 65.62 1qxs h VAL 177 Cb 0.84 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1qxs h VAL 177 CO 0.07 0.58 -0.04 -0.07 0.02 0.00 0.00 177.57 178.12 1qxs h LEU 178 N 0.28 0.62 -0.05 2.57 3.38 -1.14 -1.91 115.31 119.08 1qxs h LEU 178 Ca -0.00 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1qxs h LEU 178 Cb 1.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1qxs h LEU 178 CO 0.10 0.82 -0.18 0.58 0.09 0.00 0.00 178.44 179.85 1qxs h VAL 179 N 0.42 1.46 0.00 1.22 2.07 -1.09 -1.15 116.25 119.17 1qxs h VAL 179 Ca 0.09 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1qxs h VAL 179 Cb 0.52 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1qxs h VAL 179 CO 0.03 0.45 0.00 0.50 0.02 0.00 0.00 177.57 178.57 1qxs h LYS 180 N -0.35 0.00 -0.24 1.57 3.64 -1.22 -3.10 116.57 116.88 1qxs h LYS 180 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qxs h LYS 180 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1qxs h LYS 180 CO 0.04 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.61 1qxs n GLU 181 N -2.32 2.37 0.00 1.90 -0.58 -0.72 -4.98 120.64 116.31 1qxs n GLU 181 Ca 0.02 -2.04 0.00 0.00 -0.42 0.00 0.00 57.16 54.73 1qxs n GLU 181 Cb 0.26 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1qxs n GLU 181 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qxs n GLY 182 N 1.42 2.91 0.09 0.62 0.00 -1.17 -4.94 105.19 104.12 1qxs n GLY 182 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1qxs n GLY 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qxs h PHE 183 N 0.00 -0.09 -0.45 1.61 0.04 -1.73 -3.44 116.94 112.89 1qxs h PHE 183 Ca 0.00 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.82 1qxs h PHE 183 Cb 0.00 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1qxs h PHE 183 CO 0.00 -0.07 -0.16 0.41 -0.60 0.00 0.00 178.31 177.89 1qxs n GLY 184 N -1.16 -2.68 2.90 -1.45 0.00 -0.47 -0.29 105.19 102.04 1qxs n GLY 184 Ca -0.05 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1qxs n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qxs s VAL 185 N -3.11 1.26 -0.10 1.61 1.01 -1.26 -2.71 120.40 117.11 1qxs s VAL 185 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1qxs s VAL 185 Cb 0.00 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1qxs s VAL 185 CO 0.00 -0.02 -0.03 -0.61 0.00 0.00 0.00 175.10 174.44 1qxs h GLN 186 N 8.05 0.00 -3.89 2.72 4.15 -1.52 -3.47 115.11 121.15 1qxs h GLN 186 Ca -0.21 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.06 1qxs h GLN 186 Cb 1.09 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.58 1qxs h GLN 186 CO 0.40 0.00 -0.63 0.95 -1.93 0.00 0.00 178.83 177.62 1qxs s THR 187 N -1.59 0.12 -0.27 2.39 -4.23 -1.25 -4.85 115.64 105.95 1qxs s THR 187 Ca -0.02 -0.98 -0.25 0.00 -1.18 0.00 0.00 61.69 59.26 1qxs s THR 187 Cb 0.00 -0.50 0.08 0.00 1.34 0.00 0.00 72.50 73.42 1qxs s THR 187 CO 0.03 -0.54 0.79 -0.83 -0.54 0.00 0.00 174.62 173.54 1qxs s GLY 188 N -1.68 -0.45 -0.09 3.99 0.00 -0.43 -1.88 107.32 106.78 1qxs s GLY 188 Ca -0.12 2.17 0.03 0.00 0.00 0.00 0.00 44.72 46.79 1qxs s GLY 188 CO -0.02 1.75 -0.17 1.08 0.00 0.00 0.00 173.10 175.74 1qxs s LEU 189 N 0.31 1.83 0.26 0.66 1.43 0.13 -2.65 118.68 120.64 1qxs s LEU 189 Ca 0.01 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1qxs s LEU 189 Cb -0.05 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1qxs s LEU 189 CO -0.01 0.08 -0.06 0.00 0.23 0.00 0.00 176.35 176.59 1qxs s MET 190 N 0.59 2.13 -0.05 1.70 0.23 0.60 -0.85 119.30 123.65 1qxs s MET 190 Ca -0.15 -1.47 -0.04 0.00 -1.03 0.00 0.00 55.69 53.00 1qxs s MET 190 Cb -0.16 -2.08 0.02 0.00 -1.53 0.00 0.00 34.83 31.08 1qxs s MET 190 CO 0.05 0.37 0.13 0.99 -2.03 0.00 0.00 175.02 174.53 1qxs s THR 191 N -2.27 -0.01 -0.23 3.16 2.01 -0.39 -1.83 115.64 116.08 1qxs s THR 191 Ca 0.30 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1qxs s THR 191 Cb -0.06 -0.20 0.05 0.00 0.01 0.00 0.00 72.50 72.30 1qxs s THR 191 CO 0.18 0.02 -0.11 0.28 -0.69 0.00 0.00 174.62 174.30 1qxs s THR 192 N 0.34 1.96 -0.83 -0.82 -1.32 -1.03 0.65 115.64 114.60 1qxs s THR 192 Ca -0.02 -1.35 -0.26 0.00 -1.21 0.00 0.00 61.69 58.85 1qxs s THR 192 Cb -0.04 -2.04 0.03 0.00 -1.51 0.00 0.00 72.50 68.94 1qxs s THR 192 CO -0.01 0.09 1.40 -0.63 -2.21 0.00 0.00 174.62 173.26 1qxs s ILE 193 N 1.23 3.75 -0.08 5.08 1.09 -0.62 -1.83 121.20 129.81 1qxs s ILE 193 Ca -0.05 -0.02 -0.04 0.00 -1.10 0.00 0.00 60.65 59.44 1qxs s ILE 193 Cb -0.18 -4.86 -0.04 0.00 -1.06 0.00 0.00 42.46 36.32 1qxs s ILE 193 CO -0.07 -1.79 0.11 -2.28 -0.10 0.00 0.00 174.94 170.81 1qxs s HIS 194 N 5.89 3.44 0.47 3.97 2.46 0.11 -2.36 115.29 129.27 1qxs s HIS 194 Ca 0.42 0.38 -0.14 0.00 0.47 0.00 0.00 55.06 56.19 1qxs s HIS 194 Cb -0.06 -1.86 -0.07 0.00 -0.13 0.00 0.00 32.58 30.47 1qxs s HIS 194 CO 0.06 0.64 0.90 -1.54 -2.47 0.00 0.00 174.74 172.33 1qxs s SER 195 N -1.24 6.56 0.78 9.88 1.04 -1.25 0.70 113.70 130.18 1qxs s SER 195 Ca 0.18 1.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.84 1qxs s SER 195 Cb -0.12 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.63 1qxs s SER 195 CO 0.07 -0.52 1.14 0.00 0.98 0.00 0.00 173.24 174.91 1qxs n TYR 196 N -1.52 1.14 -4.65 5.02 0.18 -0.66 -4.78 117.16 111.88 1qxs n TYR 196 Ca 0.05 0.40 -0.29 0.00 1.88 0.00 0.00 57.90 59.93 1qxs n TYR 196 Cb 0.54 -2.11 -0.07 0.00 -0.38 0.00 0.00 39.34 37.33 1qxs n TYR 196 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1qxs n THR 197 N -3.03 0.00 0.21 -3.48 -2.24 -1.26 -4.69 114.28 99.78 1qxs n THR 197 Ca 0.13 -2.32 0.07 0.00 -2.27 0.00 0.00 64.05 59.66 1qxs n THR 197 Cb 0.50 0.58 0.57 0.00 -2.10 0.00 0.00 70.33 69.88 1qxs n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qxs h ALA 198 N 1.38 1.87 0.00 6.98 0.00 -1.96 -2.16 119.26 125.37 1qxs h ALA 198 Ca -0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1qxs h ALA 198 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1qxs h ALA 198 CO 0.62 0.10 0.00 0.25 0.00 0.00 0.00 179.25 180.22 1qxs n THR 199 N -4.47 0.71 -2.57 0.00 -2.24 -1.26 -4.76 114.28 99.69 1qxs n THR 199 Ca -0.02 0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.71 1qxs n THR 199 Cb 0.13 -0.91 0.04 0.00 -2.10 0.00 0.00 70.33 67.49 1qxs n THR 199 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qxs s GLN 200 N -2.75 2.58 0.04 -0.78 -0.21 -0.81 -5.00 119.66 112.73 1qxs s GLN 200 Ca 0.12 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.03 1qxs s GLN 200 Cb 0.10 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 1qxs s GLN 200 CO 0.26 -0.76 -0.19 0.15 -2.12 0.00 0.00 175.29 172.63 1qxs s LYS 201 N -4.86 2.05 0.14 2.91 3.01 -1.26 -4.99 119.74 116.75 1qxs s LYS 201 Ca 0.56 -0.99 -0.18 0.00 -1.01 0.00 0.00 55.97 54.36 1qxs s LYS 201 Cb -0.10 -2.17 0.02 0.00 -1.01 0.00 0.00 37.83 34.56 1qxs s LYS 201 CO 0.40 0.54 1.75 1.79 0.51 0.00 0.00 175.35 180.34 1qxs h THR 202 N 3.99 0.91 -2.96 2.17 1.35 -1.93 -0.41 112.91 116.03 1qxs h THR 202 Ca -0.47 -0.08 -0.43 0.00 -0.55 0.00 0.00 66.41 64.88 1qxs h THR 202 Cb 1.15 0.67 -0.14 0.00 -1.73 0.00 0.00 68.15 68.10 1qxs h THR 202 CO 0.47 0.04 -0.72 0.68 -0.25 0.00 0.00 175.52 175.74 1qxs s VAL 203 N -6.17 1.61 -0.37 6.82 -7.23 -1.26 -3.68 120.40 110.11 1qxs s VAL 203 Ca -0.13 -2.17 -0.42 0.00 -1.81 0.00 0.00 61.98 57.44 1qxs s VAL 203 Cb 0.11 -2.05 -0.17 0.00 0.56 0.00 0.00 36.38 34.83 1qxs s VAL 203 CO 0.70 -0.59 1.78 0.47 -0.31 0.00 0.00 175.10 177.15 1qxs n ASP 204 N -0.37 1.87 -3.40 4.85 8.00 -1.26 -4.34 116.55 121.90 1qxs n ASP 204 Ca -0.08 1.02 -0.19 0.00 0.71 0.00 0.00 54.79 56.25 1qxs n ASP 204 Cb 0.61 -1.05 -0.08 0.00 -0.02 0.00 0.00 41.12 40.58 1qxs n ASP 204 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qxs s GLY 205 N 3.94 2.30 -0.00 0.44 0.00 0.97 -4.93 107.32 110.03 1qxs s GLY 205 Ca 1.03 -2.06 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1qxs s GLY 205 CO 0.69 -1.47 1.24 0.14 0.00 0.00 0.00 173.10 173.70 1qxs s VAL 206 N -3.48 4.06 -0.42 1.40 1.01 -1.26 -4.58 120.40 117.13 1qxs s VAL 206 Ca 0.41 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.86 1qxs s VAL 206 Cb 0.03 -3.92 0.17 0.00 0.00 0.00 0.00 36.38 32.65 1qxs s VAL 206 CO 0.27 0.04 0.46 -0.55 0.00 0.00 0.00 175.10 175.32 1qxs s SER 207 N 1.40 0.50 0.46 3.32 0.15 -1.26 -4.94 113.70 113.33 1qxs s SER 207 Ca 0.59 -2.05 0.21 0.00 0.70 0.00 0.00 55.95 55.39 1qxs s SER 207 Cb -0.28 0.63 1.12 0.00 -1.71 0.00 0.00 66.02 65.78 1qxs s SER 207 CO 0.25 -0.18 1.97 -0.37 1.20 0.00 0.00 173.24 176.11 1qxs h VAL 208 N 4.89 0.86 -0.01 4.45 -1.51 -1.95 -2.86 116.25 120.12 1qxs h VAL 208 Ca 0.12 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1qxs h VAL 208 Cb 1.03 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1qxs h VAL 208 CO 0.20 0.21 -0.31 0.29 -1.23 0.00 0.00 177.57 176.73 1qxs n LYS 209 N -3.87 0.93 -3.19 5.19 4.76 -1.26 -4.65 118.16 116.07 1qxs n LYS 209 Ca -0.02 -0.61 0.01 0.00 -2.87 0.00 0.00 58.31 54.83 1qxs n LYS 209 Cb 0.30 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 1qxs n LYS 209 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1qxs s ASP 210 N -2.49 -1.52 0.10 4.39 -1.08 -1.10 -5.06 116.67 109.91 1qxs s ASP 210 Ca 0.23 -0.61 -0.24 0.00 -0.52 0.00 0.00 52.55 51.41 1qxs s ASP 210 Cb 0.19 1.94 -0.13 0.00 -1.46 0.00 0.00 42.92 43.46 1qxs s ASP 210 CO 0.53 -0.19 1.71 -0.50 0.52 0.00 0.00 175.17 177.25 1qxs h TRP 211 N 7.11 -0.17 0.00 -5.34 4.06 -1.78 -2.22 115.95 117.61 1qxs h TRP 211 Ca 0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1qxs h TRP 211 Cb 1.18 0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1qxs h TRP 211 CO 0.16 -0.11 -0.05 0.00 -3.56 0.00 0.00 178.44 174.89 1qxs h ARG 212 N -0.15 0.00 0.00 0.49 3.08 -1.91 -0.50 114.38 115.40 1qxs h ARG 212 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1qxs h ARG 212 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1qxs h ARG 212 CO -0.03 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1qxs n GLY 213 N -1.25 -1.03 0.03 0.04 0.00 -0.85 -2.48 105.19 99.66 1qxs n GLY 213 Ca -0.03 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1qxs n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxs n GLY 214 N 0.52 -1.28 3.81 -0.02 0.00 -0.20 -4.22 105.19 103.80 1qxs n GLY 214 Ca 0.09 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1qxs n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qxs s ARG 215 N -3.09 3.36 -0.20 1.61 1.81 -1.03 -0.02 118.95 121.37 1qxs s ARG 215 Ca 0.08 1.19 -0.40 0.00 -1.72 0.00 0.00 55.73 54.88 1qxs s ARG 215 Cb 0.16 -2.04 -0.16 0.00 -0.45 0.00 0.00 34.95 32.45 1qxs s ARG 215 CO 0.74 -0.78 1.62 0.00 -0.68 0.00 0.00 175.30 176.20 1qxs n ALA 216 N -2.00 -0.56 -0.04 2.13 0.00 -1.26 -4.50 120.51 114.28 1qxs n ALA 216 Ca 0.09 0.43 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 1qxs n ALA 216 Cb 0.53 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 1qxs n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qxs h ALA 217 N 6.33 0.15 -0.06 0.00 0.00 -1.14 -3.23 119.26 121.31 1qxs h ALA 217 Ca -0.47 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1qxs h ALA 217 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qxs h ALA 217 CO 0.91 0.05 0.00 0.00 0.00 0.00 0.00 179.25 180.21 1qxs n ALA 218 N -2.43 2.50 -0.57 0.00 0.00 -1.26 -3.61 120.51 115.13 1qxs n ALA 218 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1qxs n ALA 218 Cb 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1qxs n ALA 218 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qxs n VAL 219 N -0.33 0.17 -4.24 0.00 0.24 -1.25 -4.79 118.33 108.12 1qxs n VAL 219 Ca 0.03 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1qxs n VAL 219 Cb 0.06 1.26 -0.10 0.00 -1.47 0.00 0.00 33.84 33.59 1qxs n VAL 219 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1qxs s ASN 220 N -0.17 1.19 -0.43 -1.34 0.01 -1.22 -5.07 114.94 107.92 1qxs s ASN 220 Ca 0.00 -1.19 -0.06 0.00 -0.71 0.00 0.00 52.86 50.90 1qxs s ASN 220 Cb 0.00 0.13 0.10 0.00 0.41 0.00 0.00 41.25 41.89 1qxs s ASN 220 CO 0.00 -0.58 0.26 -0.63 -1.51 0.00 0.00 177.10 174.63 1qxs s ILE 221 N -3.67 3.81 -0.30 0.60 1.01 -1.26 -4.02 121.20 117.36 1qxs s ILE 221 Ca 0.25 -1.78 -0.14 0.00 0.00 0.00 0.00 60.65 58.98 1qxs s ILE 221 Cb 0.06 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1qxs s ILE 221 CO 0.05 -0.65 0.33 -0.63 0.00 0.00 0.00 174.94 174.04 1qxs s ILE 222 N 1.29 5.20 0.87 2.92 1.09 -0.47 -4.89 121.20 127.21 1qxs s ILE 222 Ca 0.05 0.26 -0.12 0.00 -1.10 0.00 0.00 60.65 59.74 1qxs s ILE 222 Cb -0.24 -3.72 0.11 0.00 -1.06 0.00 0.00 42.46 37.55 1qxs s ILE 222 CO -0.01 0.06 1.10 -2.84 -0.10 0.00 0.00 174.94 173.15 1qxs s PRO 223 N 1.98 1.49 -0.29 2.79 0.02 -1.26 -0.21 135.00 139.53 1qxs s PRO 223 Ca 0.12 0.63 -0.19 0.00 0.02 0.00 0.00 61.00 61.59 1qxs s PRO 223 Cb -0.16 -1.85 0.16 0.00 0.02 0.00 0.00 34.50 32.67 1qxs s PRO 223 CO 0.11 -2.03 1.11 0.45 -0.33 0.00 0.00 177.00 176.31 1qxs s SER 224 N -3.71 -0.34 0.30 2.53 0.15 0.11 -4.78 113.70 107.95 1qxs s SER 224 Ca 0.63 0.57 -0.29 0.00 0.70 0.00 0.00 55.95 57.56 1qxs s SER 224 Cb -0.16 0.96 -0.10 0.00 -1.71 0.00 0.00 66.02 65.01 1qxs s SER 224 CO 0.55 -0.09 1.17 0.42 1.20 0.00 0.00 173.24 176.49 1qxs s THR 225 N 0.89 3.22 0.21 6.45 -4.23 -1.26 -0.05 115.64 120.87 1qxs s THR 225 Ca -0.04 1.23 0.07 0.00 -1.18 0.00 0.00 61.69 61.76 1qxs s THR 225 Cb -0.04 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1qxs s THR 225 CO -0.12 0.29 -0.11 0.28 -0.54 0.00 0.00 174.62 174.42 1qxs s THR 226 N -1.15 1.56 -0.15 3.99 -1.32 -1.23 -4.82 115.64 112.52 1qxs s THR 226 Ca 0.46 -2.15 0.06 0.00 -1.21 0.00 0.00 61.69 58.84 1qxs s THR 226 Cb -0.35 -2.12 -0.13 0.00 -1.51 0.00 0.00 72.50 68.40 1qxs s THR 226 CO 0.45 -0.54 -0.06 0.61 -2.21 0.00 0.00 174.62 172.87 1qxs n GLY 227 N -0.39 -0.40 0.02 6.08 0.00 -1.26 -4.63 105.19 104.61 1qxs n GLY 227 Ca -0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 1qxs n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxs n ALA 228 N -2.75 -0.03 0.07 4.61 0.00 -1.26 0.93 120.51 122.09 1qxs n ALA 228 Ca -0.25 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1qxs n ALA 228 Cb 0.85 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 1qxs n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qxs h ALA 229 N 0.04 -0.91 -0.50 0.00 0.00 -1.91 -1.43 119.26 114.55 1qxs h ALA 229 Ca 0.01 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1qxs h ALA 229 Cb 0.02 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1qxs h ALA 229 CO -0.05 -1.03 0.33 -0.22 0.00 0.00 0.00 179.25 178.29 1qxs h LYS 230 N -0.60 0.35 0.00 0.00 3.64 0.39 0.34 116.57 120.69 1qxs h LYS 230 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1qxs h LYS 230 Cb 0.62 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1qxs h LYS 230 CO -0.26 0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.15 1qxs n ALA 231 N -2.52 1.65 0.20 5.00 0.00 -0.19 -1.30 120.51 123.35 1qxs n ALA 231 Ca 0.07 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1qxs n ALA 231 Cb 0.30 -1.19 0.22 0.00 0.00 0.00 0.00 19.45 18.79 1qxs n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qxs h VAL 232 N 0.00 0.44 0.00 0.00 2.07 -0.53 -2.91 116.25 115.32 1qxs h VAL 232 Ca 0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1qxs h VAL 232 Cb 0.13 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1qxs h VAL 232 CO 0.00 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1qxs n GLY 233 N 0.86 -0.83 0.11 2.17 0.00 -0.42 0.04 105.19 107.12 1qxs n GLY 233 Ca 0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1qxs n GLY 233 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qxs n MET 234 N -1.36 0.68 0.01 1.61 2.81 -1.10 -3.19 117.12 116.59 1qxs n MET 234 Ca 0.06 0.19 -0.09 0.00 -1.81 0.00 0.00 57.70 56.05 1qxs n MET 234 Cb 0.13 -1.66 -0.13 0.00 -0.71 0.00 0.00 33.22 30.85 1qxs n MET 234 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qxs h VAL 235 N 0.02 1.11 -2.29 2.03 2.07 -1.46 -3.39 116.25 114.34 1qxs h VAL 235 Ca -0.44 -2.90 -0.58 0.00 0.82 0.00 0.00 66.70 63.59 1qxs h VAL 235 Cb 2.05 2.56 -0.40 0.00 -1.52 0.00 0.00 31.29 33.99 1qxs h VAL 235 CO 0.04 0.65 -0.91 -0.38 0.02 0.00 0.00 177.57 176.99 1qxs n ILE 236 N -3.17 -0.05 -0.31 4.57 5.41 0.11 -4.73 119.36 121.18 1qxs n ILE 236 Ca -0.12 -4.14 0.30 0.00 1.00 0.00 0.00 62.75 59.79 1qxs n ILE 236 Cb 1.02 -1.92 0.54 0.00 -0.71 0.00 0.00 39.64 38.57 1qxs n ILE 236 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1qxs n PRO 237 N 1.84 -0.05 0.19 0.38 -0.02 -1.19 -0.68 135.00 135.46 1qxs n PRO 237 Ca 0.25 1.19 0.18 0.00 -2.02 0.00 0.00 63.50 63.11 1qxs n PRO 237 Cb 0.47 -2.19 0.81 0.00 -0.02 0.00 0.00 33.50 32.57 1qxs n PRO 237 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qxs h SER 238 N 0.00 0.00 -0.45 2.55 4.64 -1.92 0.16 113.55 118.53 1qxs h SER 238 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1qxs h SER 238 Cb 2.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.19 1qxs h SER 238 CO -0.62 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.69 1qxs n THR 239 N -3.61 2.01 -1.63 2.95 -2.24 0.14 -4.91 114.28 106.99 1qxs n THR 239 Ca 0.03 -1.04 -0.43 0.00 -2.27 0.00 0.00 64.05 60.34 1qxs n THR 239 Cb 0.44 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1qxs n THR 239 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1qxs n GLN 240 N 0.52 2.36 -1.04 -0.78 -0.06 0.55 -1.25 117.38 117.68 1qxs n GLN 240 Ca 0.21 0.78 -0.01 0.00 -2.00 0.00 0.00 57.00 55.97 1qxs n GLN 240 Cb 0.94 -3.07 -0.01 0.00 -4.06 0.00 0.00 30.24 24.05 1qxs n GLN 240 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1qxs n GLY 241 N 5.16 0.50 0.00 1.69 0.00 -1.26 -4.89 105.19 106.39 1qxs n GLY 241 Ca 0.25 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1qxs n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qxs n LYS 242 N -2.47 1.34 -4.32 1.61 5.02 -0.38 -5.03 118.16 113.93 1qxs n LYS 242 Ca -0.01 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.04 1qxs n LYS 242 Cb 0.11 -1.26 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 1qxs n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qxs s LEU 243 N -3.38 2.11 0.00 -0.35 1.43 -1.24 -1.32 118.68 115.93 1qxs s LEU 243 Ca -0.00 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 1qxs s LEU 243 Cb 0.10 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1qxs s LEU 243 CO 0.59 -0.55 0.00 1.07 0.23 0.00 0.00 176.35 177.69 1qxs n THR 244 N -0.41 0.00 -0.93 5.49 5.66 -1.09 -4.20 114.28 118.81 1qxs n THR 244 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1qxs n THR 244 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1qxs n THR 244 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qxs n GLY 245 N -0.02 -1.20 0.62 1.09 0.00 -1.26 -0.29 105.19 104.14 1qxs n GLY 245 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 1qxs n GLY 245 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1qxs n MET 246 N -0.04 0.82 -3.88 1.61 0.00 -0.76 -3.47 117.12 111.40 1qxs n MET 246 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 57.70 56.95 1qxs n MET 246 Cb 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 33.22 33.46 1qxs n MET 246 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1qxs s SER 247 N -1.46 0.01 -0.29 3.17 0.15 0.93 -2.48 113.70 113.72 1qxs s SER 247 Ca 0.04 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.67 1qxs s SER 247 Cb 0.00 0.16 0.08 0.00 -1.71 0.00 0.00 66.02 64.55 1qxs s SER 247 CO 0.03 -0.15 -0.02 -0.36 1.20 0.00 0.00 173.24 173.94 1qxs s PHE 248 N -0.56 3.24 -0.41 3.44 0.08 -0.76 0.10 117.98 123.11 1qxs s PHE 248 Ca -0.06 -2.49 -0.29 0.00 0.12 0.00 0.00 56.93 54.21 1qxs s PHE 248 Cb -0.04 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 1qxs s PHE 248 CO 0.00 -0.89 1.17 1.03 -0.10 0.00 0.00 175.22 176.43 1qxs s ARG 249 N 1.10 3.82 0.38 0.44 1.81 0.71 -0.71 118.95 126.50 1qxs s ARG 249 Ca 0.02 0.83 0.08 0.00 -1.72 0.00 0.00 55.73 54.93 1qxs s ARG 249 Cb -0.19 -3.87 -0.02 0.00 -0.45 0.00 0.00 34.95 30.42 1qxs s ARG 249 CO -0.08 -1.24 0.37 0.14 -0.68 0.00 0.00 175.30 173.81 1qxs s VAL 250 N 4.34 3.17 -1.12 3.52 -7.23 0.22 -1.36 120.40 121.93 1qxs s VAL 250 Ca 0.50 -1.29 -0.21 0.00 -1.81 0.00 0.00 61.98 59.17 1qxs s VAL 250 Cb -0.10 -3.11 -0.07 0.00 0.56 0.00 0.00 36.38 33.66 1qxs s VAL 250 CO 0.26 -0.08 1.92 -2.65 -0.31 0.00 0.00 175.10 174.24 1qxs n PRO 251 N -1.52 1.96 -3.78 4.82 -0.02 -1.26 -2.79 135.00 132.40 1qxs n PRO 251 Ca 0.02 -2.46 -0.13 0.00 -2.02 0.00 0.00 63.50 58.91 1qxs n PRO 251 Cb 0.60 -3.44 -0.10 0.00 -0.02 0.00 0.00 33.50 30.54 1qxs n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qxs s THR 252 N 7.60 0.03 0.16 3.45 -4.23 -1.26 -5.01 115.64 116.38 1qxs s THR 252 Ca 0.61 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.90 1qxs s THR 252 Cb 0.05 -0.48 -0.17 0.00 1.34 0.00 0.00 72.50 73.25 1qxs s THR 252 CO 0.10 -0.15 1.35 1.55 -0.54 0.00 0.00 174.62 176.94 1qxs h PRO 253 N 4.85 0.10 -2.77 3.99 0.13 -1.88 -1.76 132.00 134.66 1qxs h PRO 253 Ca -0.28 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1qxs h PRO 253 Cb 1.19 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1qxs h PRO 253 CO 0.36 0.94 0.09 0.34 -0.23 0.00 0.00 178.00 179.51 1qxs s ASP 254 N -6.86 -0.48 0.00 1.44 2.15 -1.26 -4.70 116.67 106.96 1qxs s ASP 254 Ca -0.01 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1qxs s ASP 254 Cb 0.10 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 1qxs s ASP 254 CO 0.82 -0.77 0.00 0.52 -0.17 0.00 0.00 175.17 175.57 1qxs n VAL 255 N 0.24 -0.40 -4.31 1.11 0.31 -1.26 -4.90 118.33 109.11 1qxs n VAL 255 Ca -0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 1qxs n VAL 255 Cb 0.61 -0.40 -0.10 0.00 -0.91 0.00 0.00 33.84 33.04 1qxs n VAL 255 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1qxs s SER 256 N -0.37 1.23 -0.04 4.52 0.01 -0.29 -3.85 113.70 114.91 1qxs s SER 256 Ca 0.00 -1.47 -0.03 0.00 1.31 0.00 0.00 55.95 55.76 1qxs s SER 256 Cb 0.00 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.54 1qxs s SER 256 CO 0.00 -0.82 0.10 0.54 0.41 0.00 0.00 173.24 173.47 1qxs s VAL 257 N -3.73 -0.01 -0.16 3.43 0.11 -1.00 -1.42 120.40 117.63 1qxs s VAL 257 Ca 0.37 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 1qxs s VAL 257 Cb 0.06 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.72 1qxs s VAL 257 CO 0.15 0.01 0.20 -0.69 -3.33 0.00 0.00 175.10 171.44 1qxs s VAL 258 N 0.21 5.38 -0.46 2.04 1.01 0.23 -1.59 120.40 127.22 1qxs s VAL 258 Ca -0.01 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1qxs s VAL 258 Cb -0.02 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.96 1qxs s VAL 258 CO -0.01 0.48 0.19 -0.62 0.00 0.00 0.00 175.10 175.14 1qxs s ASP 259 N -0.03 4.40 -0.02 3.32 3.68 0.21 -0.49 116.67 127.74 1qxs s ASP 259 Ca 0.13 -2.71 -0.11 0.00 2.13 0.00 0.00 52.55 51.99 1qxs s ASP 259 Cb -0.12 -1.58 -0.05 0.00 -1.45 0.00 0.00 42.92 39.72 1qxs s ASP 259 CO 0.02 -0.28 0.32 -0.22 0.13 0.00 0.00 175.17 175.14 1qxs s LEU 260 N 0.14 4.42 -0.02 -1.34 2.96 -0.36 -1.26 118.68 123.22 1qxs s LEU 260 Ca 0.15 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1qxs s LEU 260 Cb -0.24 -2.52 -0.00 0.00 0.50 0.00 0.00 46.19 43.93 1qxs s LEU 260 CO -0.03 0.32 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.32 1qxs s THR 261 N -1.14 0.93 0.23 3.68 2.01 -0.03 -0.35 115.64 120.97 1qxs s THR 261 Ca 0.23 -0.46 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 1qxs s THR 261 Cb -0.15 -0.80 0.06 0.00 0.01 0.00 0.00 72.50 71.62 1qxs s THR 261 CO 0.12 0.28 0.92 0.72 -0.69 0.00 0.00 174.62 175.97 1qxs s PHE 262 N 0.03 -0.02 -0.16 4.92 -0.71 -0.23 0.17 117.98 121.97 1qxs s PHE 262 Ca -0.01 -0.40 -0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1qxs s PHE 262 Cb -0.08 0.71 -0.00 0.00 -1.21 0.00 0.00 43.02 42.44 1qxs s PHE 262 CO 0.00 -1.06 -0.14 0.95 -1.34 0.00 0.00 175.22 173.64 1qxs s THR 263 N -2.83 2.78 0.99 -4.49 -4.23 -0.79 -0.13 115.64 106.95 1qxs s THR 263 Ca 0.16 -0.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1qxs s THR 263 Cb -0.03 -2.19 0.18 0.00 1.34 0.00 0.00 72.50 71.81 1qxs s THR 263 CO 0.06 0.51 1.08 0.00 -0.54 0.00 0.00 174.62 175.73 1qxs s ALA 264 N 0.83 0.88 -2.44 3.99 0.00 -0.27 -1.62 121.76 123.14 1qxs s ALA 264 Ca -0.04 0.02 0.24 0.00 0.00 0.00 0.00 51.96 52.17 1qxs s ALA 264 Cb -0.15 -3.25 0.77 0.00 0.00 0.00 0.00 23.12 20.48 1qxs s ALA 264 CO -0.00 -2.92 1.57 0.00 0.00 0.00 0.00 175.76 174.41 1qxs n ALA 265 N -4.29 2.52 -3.22 0.00 0.00 0.61 -4.47 120.51 111.66 1qxs n ALA 265 Ca 0.07 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 1qxs n ALA 265 Cb 0.54 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1qxs n ALA 265 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1qxs s ARG 266 N -1.85 1.93 0.18 0.00 1.70 -1.18 -4.99 118.95 114.74 1qxs s ARG 266 Ca 0.34 -1.55 -0.29 0.00 -0.47 0.00 0.00 55.73 53.76 1qxs s ARG 266 Cb 0.19 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 35.00 1qxs s ARG 266 CO 0.30 -0.83 0.90 -0.51 -1.08 0.00 0.00 175.30 174.07 1qxs s ASP 267 N -3.14 7.53 0.00 -2.89 1.01 -1.26 -4.74 116.67 113.18 1qxs s ASP 267 Ca 0.24 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.32 1qxs s ASP 267 Cb -0.02 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1qxs s ASP 267 CO 0.15 0.11 0.00 0.35 0.21 0.00 0.00 175.17 176.00 1qxs n THR 268 N 1.88 0.00 -3.82 -1.27 -2.24 -0.89 -5.07 114.28 102.87 1qxs n THR 268 Ca -0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1qxs n THR 268 Cb 0.48 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1qxs n THR 268 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qxs s SER 269 N 1.69 -0.09 0.16 3.42 1.04 -1.26 -4.21 113.70 114.45 1qxs s SER 269 Ca 0.00 -0.63 0.22 0.00 0.48 0.00 0.00 55.95 56.02 1qxs s SER 269 Cb 0.00 0.48 0.88 0.00 0.10 0.00 0.00 66.02 67.48 1qxs s SER 269 CO 0.00 -0.92 1.68 0.00 0.98 0.00 0.00 173.24 174.98 1qxs n ILE 270 N -0.24 0.77 -0.04 -1.02 0.13 -1.26 -3.01 119.36 114.69 1qxs n ILE 270 Ca -0.11 0.14 -0.15 0.00 -1.10 0.00 0.00 62.75 61.53 1qxs n ILE 270 Cb 0.63 -0.98 -0.13 0.00 -0.84 0.00 0.00 39.64 38.32 1qxs n ILE 270 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1qxs h GLN 271 N 0.00 0.09 -0.40 9.51 7.50 -1.97 -2.05 115.11 127.79 1qxs h GLN 271 Ca 0.00 -0.12 0.08 0.00 0.50 0.00 0.00 58.65 59.11 1qxs h GLN 271 Cb 0.40 0.04 -0.08 0.00 0.05 0.00 0.00 27.48 27.90 1qxs h GLN 271 CO 0.00 1.00 -0.11 0.93 -1.50 0.00 0.00 178.83 179.14 1qxs h GLU 272 N -0.76 -0.02 0.24 1.46 5.08 -1.94 0.25 114.58 118.89 1qxs h GLU 272 Ca -0.03 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1qxs h GLU 272 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1qxs h GLU 272 CO 0.04 -0.01 -0.39 0.82 -1.00 0.00 0.00 179.01 178.46 1qxs h ILE 273 N -0.02 0.20 -0.73 3.13 2.04 -1.64 0.20 117.51 120.68 1qxs h ILE 273 Ca 0.19 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.20 1qxs h ILE 273 Cb 0.31 0.20 -0.10 0.00 -0.74 0.00 0.00 36.82 36.50 1qxs h ILE 273 CO -0.42 0.00 0.26 -0.78 0.00 0.00 0.00 178.15 177.21 1qxs h ASP 274 N -0.71 0.20 -0.35 1.72 3.58 -0.57 0.75 116.42 121.05 1qxs h ASP 274 Ca -0.00 0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 1qxs h ASP 274 Cb 0.68 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1qxs h ASP 274 CO -0.16 0.06 -0.09 0.00 -2.88 0.00 0.00 179.24 176.17 1qxs h ALA 275 N 1.55 0.48 -0.69 -0.78 0.00 -0.06 -2.40 119.26 117.35 1qxs h ALA 275 Ca 0.41 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1qxs h ALA 275 Cb 0.63 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1qxs h ALA 275 CO -0.43 0.33 0.44 0.00 0.00 0.00 0.00 179.25 179.60 1qxs h ALA 276 N 0.81 0.90 -0.45 0.00 0.00 0.93 -0.22 119.26 121.23 1qxs h ALA 276 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1qxs h ALA 276 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qxs h ALA 276 CO 0.04 0.24 0.04 -0.07 0.00 0.00 0.00 179.25 179.50 1qxs h LEU 277 N 0.88 0.73 -0.87 0.00 3.38 -0.87 -1.22 115.31 117.35 1qxs h LEU 277 Ca 0.27 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1qxs h LEU 277 Cb -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1qxs h LEU 277 CO -0.09 0.83 0.17 0.11 0.09 0.00 0.00 178.44 179.55 1qxs h LYS 278 N 0.61 1.01 -0.30 1.13 1.57 -1.05 0.00 116.57 119.55 1qxs h LYS 278 Ca 0.13 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1qxs h LYS 278 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1qxs h LYS 278 CO 0.01 0.89 0.06 -0.09 -0.57 0.00 0.00 179.45 179.75 1qxs h ARG 279 N 0.97 0.48 0.05 3.15 2.43 -0.89 -2.45 114.38 118.12 1qxs h ARG 279 Ca 0.21 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1qxs h ARG 279 Cb 0.32 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1qxs h ARG 279 CO -0.00 0.58 -0.02 0.00 -1.51 0.00 0.00 179.97 179.01 1qxs h ALA 280 N 0.89 -0.07 -0.87 2.80 0.00 -0.97 -0.49 119.26 120.55 1qxs h ALA 280 Ca 0.09 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.15 1qxs h ALA 280 Cb 0.32 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1qxs h ALA 280 CO 0.00 -0.48 0.59 0.66 0.00 0.00 0.00 179.25 180.02 1qxs h SER 281 N -0.18 0.27 1.20 0.00 4.64 -0.91 0.31 113.55 118.87 1qxs h SER 281 Ca -0.01 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 1qxs h SER 281 Cb 0.15 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1qxs h SER 281 CO 0.01 0.11 -0.84 0.11 -0.87 0.00 0.00 176.83 175.35 1qxs h LYS 282 N 0.27 0.00 0.00 4.77 1.57 -1.00 -2.81 116.57 119.36 1qxs h LYS 282 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1qxs h LYS 282 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1qxs h LYS 282 CO -0.12 0.51 0.00 0.25 -0.57 0.00 0.00 179.45 179.52 1qxs n THR 283 N -3.15 0.00 0.43 -0.16 -2.24 0.84 -4.68 114.28 105.31 1qxs n THR 283 Ca -0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1qxs n THR 283 Cb 0.80 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 69.29 1qxs n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qxs n TYR 284 N 0.00 0.00 0.78 4.78 4.11 -1.16 -2.44 117.16 123.24 1qxs n TYR 284 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.99 1qxs n TYR 284 Cb 0.00 -0.50 0.04 0.00 -0.00 0.00 0.00 39.34 38.87 1qxs n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1qxs n MET 285 N -1.50 1.58 -1.45 -3.48 2.81 0.22 -4.99 117.12 110.30 1qxs n MET 285 Ca 0.03 -1.22 -0.56 0.00 -1.81 0.00 0.00 57.70 54.13 1qxs n MET 285 Cb 0.14 -1.34 -0.07 0.00 -0.71 0.00 0.00 33.22 31.24 1qxs n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1qxs n LYS 286 N 0.46 0.00 0.00 0.03 4.81 -1.02 -0.23 118.16 122.21 1qxs n LYS 286 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1qxs n LYS 286 Cb 0.42 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1qxs n LYS 286 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qxs n GLY 287 N 1.53 2.27 0.08 3.14 0.00 -1.26 -4.69 105.19 106.25 1qxs n GLY 287 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1qxs n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qxs n ILE 288 N 0.00 1.34 -3.67 -0.61 2.08 0.68 -4.29 119.36 114.89 1qxs n ILE 288 Ca 0.00 0.19 -0.36 0.00 0.56 0.00 0.00 62.75 63.14 1qxs n ILE 288 Cb 0.00 -2.28 -0.07 0.00 -0.75 0.00 0.00 39.64 36.54 1qxs n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1qxs s LEU 289 N -7.72 4.31 0.24 1.39 2.96 0.55 -0.79 118.68 119.63 1qxs s LEU 289 Ca -0.22 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1qxs s LEU 289 Cb 0.03 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1qxs s LEU 289 CO 0.33 0.23 0.15 -0.83 -1.32 0.00 0.00 176.35 174.91 1qxs s GLY 290 N -0.19 1.71 0.22 7.98 0.00 0.69 -4.35 107.32 113.38 1qxs s GLY 290 Ca 0.15 -1.79 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 1qxs s GLY 290 CO 0.04 -1.48 0.39 -2.52 0.00 0.00 0.00 173.10 169.54 1qxs s TYR 291 N -3.90 0.42 0.00 1.90 1.13 -1.26 0.81 117.35 116.45 1qxs s TYR 291 Ca 0.38 -0.77 -0.05 0.00 -1.41 0.00 0.00 57.07 55.23 1qxs s TYR 291 Cb 0.06 0.06 -0.00 0.00 -1.10 0.00 0.00 41.96 40.98 1qxs s TYR 291 CO 0.15 -0.88 0.09 -0.08 -2.51 0.00 0.00 175.55 172.33 1qxs s THR 292 N -4.01 0.08 -0.05 -3.49 -1.32 0.50 -4.85 115.64 102.49 1qxs s THR 292 Ca 0.22 -0.68 0.08 0.00 -1.21 0.00 0.00 61.69 60.10 1qxs s THR 292 Cb 0.01 -0.37 0.12 0.00 -1.51 0.00 0.00 72.50 70.76 1qxs s THR 292 CO 0.06 -0.37 1.00 -0.90 -2.21 0.00 0.00 174.62 172.20 1qxs n ASP 293 N 1.63 1.54 -4.96 8.08 5.68 -1.26 -0.64 116.55 126.63 1qxs n ASP 293 Ca -0.22 -2.33 -0.20 0.00 -0.50 0.00 0.00 54.79 51.54 1qxs n ASP 293 Cb 0.56 -0.22 0.04 0.00 -1.14 0.00 0.00 41.12 40.36 1qxs n ASP 293 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1qxs s GLU 294 N -1.48 2.52 -1.36 0.11 2.02 -1.26 -4.65 118.70 114.60 1qxs s GLU 294 Ca 0.13 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 54.02 1qxs s GLU 294 Cb 0.12 -2.55 0.11 0.00 0.10 0.00 0.00 34.13 31.90 1qxs s GLU 294 CO 0.01 -0.68 2.03 0.39 0.02 0.00 0.00 175.26 177.04 1qxs n GLU 295 N -2.25 3.29 -2.87 1.61 -0.58 -1.26 -4.80 120.64 113.78 1qxs n GLU 295 Ca 0.09 -3.13 -0.30 0.00 -0.42 0.00 0.00 57.16 53.40 1qxs n GLU 295 Cb 0.60 -3.08 -0.03 0.00 -0.57 0.00 0.00 31.44 28.35 1qxs n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1qxs s LEU 296 N 0.85 3.84 0.22 -4.62 1.43 -1.26 -5.10 118.68 114.04 1qxs s LEU 296 Ca 0.43 1.13 0.06 0.00 -1.03 0.00 0.00 54.13 54.72 1qxs s LEU 296 Cb 0.12 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 1qxs s LEU 296 CO -0.04 -0.39 -0.08 0.68 0.23 0.00 0.00 176.35 176.75 1qxs s VAL 297 N -2.35 1.44 0.30 -1.59 -7.23 -1.26 -5.05 120.40 104.66 1qxs s VAL 297 Ca 0.51 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1qxs s VAL 297 Cb -0.10 -2.17 0.34 0.00 0.56 0.00 0.00 36.38 35.01 1qxs s VAL 297 CO 0.31 -0.50 1.63 0.77 -0.31 0.00 0.00 175.10 177.00 1qxs h SER 298 N 2.52 -0.04 -0.35 4.85 4.64 -1.97 0.14 113.55 123.35 1qxs h SER 298 Ca -0.38 0.22 0.10 0.00 -0.47 0.00 0.00 61.79 61.26 1qxs h SER 298 Cb 1.22 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 1qxs h SER 298 CO 0.64 -0.22 0.35 0.00 -0.87 0.00 0.00 176.83 176.73 1qxs h ALA 299 N 1.84 2.06 0.00 5.18 0.00 -1.97 0.61 119.26 126.99 1qxs h ALA 299 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1qxs h ALA 299 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qxs h ALA 299 CO -0.72 -0.53 0.00 -0.25 0.00 0.00 0.00 179.25 177.75 1qxs n ASP 300 N -3.84 0.00 -0.52 0.00 8.00 0.51 -2.86 116.55 117.84 1qxs n ASP 300 Ca 0.06 -0.51 0.07 0.00 0.71 0.00 0.00 54.79 55.12 1qxs n ASP 300 Cb 0.52 -0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 1qxs n ASP 300 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qxs n PHE 301 N -1.15 0.00 -1.74 1.24 3.01 0.21 -4.91 117.46 114.12 1qxs n PHE 301 Ca 0.18 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 1qxs n PHE 301 Cb 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 1qxs n PHE 301 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1qxs s ILE 302 N -1.18 2.95 0.00 4.37 1.01 -1.13 -1.07 121.20 126.14 1qxs s ILE 302 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1qxs s ILE 302 Cb 0.11 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1qxs s ILE 302 CO 0.18 -0.01 0.00 0.59 0.00 0.00 0.00 174.94 175.71 1qxs n ASN 303 N 6.84 -2.47 -4.75 3.58 4.13 -1.26 -5.03 115.26 116.30 1qxs n ASN 303 Ca 0.19 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 56.04 1qxs n ASN 303 Cb 0.40 -0.41 -0.04 0.00 -1.54 0.00 0.00 39.78 38.19 1qxs n ASN 303 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1qxs s ASP 304 N -2.08 7.30 -0.18 6.41 -1.08 -0.23 -4.94 116.67 121.87 1qxs s ASP 304 Ca 0.00 2.14 0.16 0.00 -0.52 0.00 0.00 52.55 54.33 1qxs s ASP 304 Cb 0.00 -2.61 0.59 0.00 -1.46 0.00 0.00 42.92 39.44 1qxs s ASP 304 CO 0.00 -0.16 1.50 -0.46 0.52 0.00 0.00 175.17 176.57 1qxs n ASN 305 N 1.89 4.31 -4.91 -0.34 2.04 -1.26 -3.54 115.26 113.44 1qxs n ASN 305 Ca 0.01 -2.89 -0.27 0.00 -0.44 0.00 0.00 54.58 50.99 1qxs n ASN 305 Cb 0.46 -0.56 0.01 0.00 -2.53 0.00 0.00 39.78 37.16 1qxs n ASN 305 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1qxs s ARG 306 N -2.62 3.42 0.36 -3.83 3.00 -1.26 -4.62 118.95 113.39 1qxs s ARG 306 Ca 0.44 0.16 0.22 0.00 0.00 0.00 0.00 55.73 56.56 1qxs s ARG 306 Cb 0.34 -2.35 0.22 0.00 0.00 0.00 0.00 34.95 33.16 1qxs s ARG 306 CO 0.12 -0.31 1.43 0.77 0.00 0.00 0.00 175.30 177.31 1qxs h SER 307 N 0.14 0.00 -2.74 0.23 0.02 -1.15 -3.40 113.55 106.65 1qxs h SER 307 Ca -0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1qxs h SER 307 Cb 1.21 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.52 1qxs h SER 307 CO 0.61 0.05 -0.16 -0.55 -1.14 0.00 0.00 176.83 175.64 1qxs s SER 308 N -5.99 -0.78 -0.51 3.07 0.15 -1.03 -3.66 113.70 104.95 1qxs s SER 308 Ca 0.05 1.30 0.01 0.00 0.70 0.00 0.00 55.95 58.00 1qxs s SER 308 Cb 0.06 1.45 0.13 0.00 -1.71 0.00 0.00 66.02 65.96 1qxs s SER 308 CO 0.71 -0.22 0.27 -0.63 1.20 0.00 0.00 173.24 174.57 1qxs s ILE 309 N 2.04 2.97 0.24 6.45 -1.09 0.13 -0.22 121.20 131.72 1qxs s ILE 309 Ca -0.08 -2.88 -0.32 0.00 -2.23 0.00 0.00 60.65 55.15 1qxs s ILE 309 Cb -0.09 -3.03 -0.13 0.00 -1.58 0.00 0.00 42.46 37.64 1qxs s ILE 309 CO -0.17 -0.78 1.55 0.00 -1.23 0.00 0.00 174.94 174.31 1qxs n TYR 310 N 3.61 2.48 -3.28 3.97 9.36 0.24 -0.37 117.16 133.17 1qxs n TYR 310 Ca 0.05 0.29 -0.46 0.00 3.32 0.00 0.00 57.90 61.09 1qxs n TYR 310 Cb 0.37 -2.55 -0.02 0.00 -0.63 0.00 0.00 39.34 36.51 1qxs n TYR 310 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1qxs s ASP 311 N 0.61 6.80 0.15 2.98 -1.08 0.43 -0.37 116.67 126.19 1qxs s ASP 311 Ca 0.70 -2.69 -0.19 0.00 -0.52 0.00 0.00 52.55 49.85 1qxs s ASP 311 Cb -0.59 -2.23 0.04 0.00 -1.46 0.00 0.00 42.92 38.68 1qxs s ASP 311 CO 0.44 -0.61 1.67 -1.28 0.52 0.00 0.00 175.17 175.92 1qxs h SER 312 N 7.80 -0.39 0.11 -0.34 0.87 -1.16 -1.90 113.55 118.54 1qxs h SER 312 Ca 0.12 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1qxs h SER 312 Cb 1.02 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1qxs h SER 312 CO 0.82 -0.14 -0.05 0.11 -0.53 0.00 0.00 176.83 177.03 1qxs h LYS 313 N -0.06 -0.15 -0.08 2.24 1.79 -1.83 -0.54 116.57 117.95 1qxs h LYS 313 Ca 0.15 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.65 1qxs h LYS 313 Cb 0.28 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1qxs h LYS 313 CO -0.34 0.02 0.07 0.00 -1.08 0.00 0.00 179.45 178.12 1qxs h ALA 314 N 0.58 1.87 0.00 3.86 0.00 -1.89 -1.73 119.26 121.95 1qxs h ALA 314 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1qxs h ALA 314 Cb 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qxs h ALA 314 CO 0.03 -0.11 -0.10 1.15 0.00 0.00 0.00 179.25 180.22 1qxs h THR 315 N 0.00 0.27 -0.58 0.00 2.02 -1.10 -3.25 112.91 110.27 1qxs h THR 315 Ca 0.04 -1.22 0.13 0.00 0.77 0.00 0.00 66.41 66.13 1qxs h THR 315 Cb 0.17 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1qxs h THR 315 CO -0.00 0.09 0.40 -0.07 0.37 0.00 0.00 175.52 176.31 1qxs h LEU 316 N -1.00 0.20 0.00 2.58 3.38 -1.02 -1.94 115.31 117.51 1qxs h LEU 316 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qxs h LEU 316 Cb 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1qxs h LEU 316 CO -0.01 0.11 -0.32 0.00 0.09 0.00 0.00 178.44 178.32 1qxs n GLN 317 N -4.44 0.15 -0.59 1.13 6.02 -0.66 -4.28 117.38 114.71 1qxs n GLN 317 Ca 0.10 0.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.23 1qxs n GLN 317 Cb 0.50 -1.62 0.20 0.00 1.02 0.00 0.00 30.24 30.34 1qxs n GLN 317 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1qxs n ASN 318 N -1.85 1.73 -4.61 1.08 3.02 -0.73 -5.02 115.26 108.87 1qxs n ASN 318 Ca 0.05 -3.81 -0.23 0.00 -0.03 0.00 0.00 54.58 50.56 1qxs n ASN 318 Cb 0.39 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 1qxs n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qxs s ASN 319 N -3.18 4.35 0.04 6.41 -0.87 -1.22 -4.86 114.94 115.59 1qxs s ASN 319 Ca 0.37 -0.74 -0.30 0.00 -1.57 0.00 0.00 52.86 50.62 1qxs s ASN 319 Cb 0.36 -0.72 -0.07 0.00 -0.02 0.00 0.00 41.25 40.80 1qxs s ASN 319 CO -0.07 -0.01 1.47 -0.76 -2.57 0.00 0.00 177.10 175.16 1qxs s LEU 320 N -3.65 4.34 0.31 0.60 1.43 -1.26 -4.95 118.68 115.50 1qxs s LEU 320 Ca 0.31 2.25 -0.29 0.00 -1.03 0.00 0.00 54.13 55.37 1qxs s LEU 320 Cb -0.06 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.47 1qxs s LEU 320 CO 0.19 -0.75 1.43 -0.81 0.23 0.00 0.00 176.35 176.63 1qxs n PRO 321 N 5.18 2.33 -0.94 1.29 -0.04 -1.26 -2.03 135.00 139.52 1qxs n PRO 321 Ca 0.14 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1qxs n PRO 321 Cb 0.42 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1qxs n PRO 321 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qxs n LYS 322 N 1.31 -1.18 -1.74 0.54 5.02 -1.26 -4.98 118.16 115.87 1qxs n LYS 322 Ca 0.07 0.30 -0.35 0.00 -2.02 0.00 0.00 58.31 56.31 1qxs n LYS 322 Cb 0.35 -4.33 0.06 0.00 -0.02 0.00 0.00 35.03 31.10 1qxs n LYS 322 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qxs s GLU 323 N -1.29 2.62 0.00 1.97 2.56 -0.86 -4.97 118.70 118.72 1qxs s GLU 323 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 54.97 56.70 1qxs s GLU 323 Cb 0.00 -1.89 0.00 0.00 2.00 0.00 0.00 34.13 34.24 1qxs s GLU 323 CO 0.00 -1.46 0.00 0.54 -0.56 0.00 0.00 175.26 173.78 1qxs n ARG 324 N -2.17 0.49 0.00 4.30 1.74 -1.26 -4.38 116.66 115.38 1qxs n ARG 324 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1qxs n ARG 324 Cb 0.50 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 1qxs n ARG 324 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qxs n ARG 325 N -1.41 0.00 -2.85 5.56 5.12 -1.26 -2.10 116.66 119.73 1qxs n ARG 325 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 1qxs n ARG 325 Cb 0.01 -0.60 -0.04 0.00 -1.16 0.00 0.00 32.46 30.67 1qxs n ARG 325 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1qxs s PHE 326 N -1.97 3.16 0.05 -1.55 5.36 -1.26 -1.12 117.98 120.66 1qxs s PHE 326 Ca 0.00 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 56.86 1qxs s PHE 326 Cb 0.00 -3.42 -0.03 0.00 -0.34 0.00 0.00 43.02 39.23 1qxs s PHE 326 CO 0.00 -0.67 -0.05 -0.06 -1.46 0.00 0.00 175.22 172.98 1qxs s PHE 327 N 3.23 0.58 -0.07 10.12 0.08 0.81 -4.75 117.98 127.98 1qxs s PHE 327 Ca 0.36 -0.78 0.05 0.00 0.12 0.00 0.00 56.93 56.68 1qxs s PHE 327 Cb -0.13 -0.38 -0.01 0.00 -0.57 0.00 0.00 43.02 41.93 1qxs s PHE 327 CO 0.15 -0.21 -0.22 0.21 -0.10 0.00 0.00 175.22 175.04 1qxs s LYS 328 N -2.80 2.69 -0.07 0.44 2.20 -1.26 -1.07 119.74 119.86 1qxs s LYS 328 Ca -0.01 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1qxs s LYS 328 Cb -0.01 -2.26 0.01 0.00 -1.51 0.00 0.00 37.83 34.07 1qxs s LYS 328 CO -0.04 0.37 -0.14 0.42 -0.36 0.00 0.00 175.35 175.60 1qxs s ILE 329 N -0.13 1.32 -0.20 5.43 -1.09 0.53 -4.88 121.20 122.18 1qxs s ILE 329 Ca -0.04 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 57.76 1qxs s ILE 329 Cb -0.14 -1.19 -0.01 0.00 -1.58 0.00 0.00 42.46 39.54 1qxs s ILE 329 CO 0.04 0.40 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.42 1qxs s VAL 330 N 0.62 3.53 -0.04 2.92 1.01 -1.26 -1.22 120.40 125.95 1qxs s VAL 330 Ca -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1qxs s VAL 330 Cb -0.16 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1qxs s VAL 330 CO 0.05 0.44 -0.06 -0.55 0.00 0.00 0.00 175.10 174.98 1qxs s SER 331 N 1.15 0.96 0.42 3.32 0.15 0.36 -0.43 113.70 119.64 1qxs s SER 331 Ca 0.02 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.58 1qxs s SER 331 Cb -0.15 -0.40 0.01 0.00 -1.71 0.00 0.00 66.02 63.77 1qxs s SER 331 CO -0.00 -0.01 0.60 0.26 1.20 0.00 0.00 173.24 175.28 1qxs s TRP 332 N 0.64 3.00 -0.29 3.44 0.52 0.50 0.75 118.94 127.51 1qxs s TRP 332 Ca -0.09 -0.13 -0.20 0.00 0.02 0.00 0.00 56.10 55.70 1qxs s TRP 332 Cb -0.12 -2.32 0.15 0.00 -1.15 0.00 0.00 33.47 30.03 1qxs s TRP 332 CO 0.00 -0.36 1.07 1.52 0.02 0.00 0.00 176.95 179.20 1qxs s TYR 333 N -2.42 -0.44 -0.84 -1.98 1.13 -0.50 0.21 117.35 112.51 1qxs s TYR 333 Ca 0.51 0.94 -0.25 0.00 -1.41 0.00 0.00 57.07 56.85 1qxs s TYR 333 Cb -0.10 0.33 0.02 0.00 -1.10 0.00 0.00 41.96 41.12 1qxs s TYR 333 CO 0.34 -0.21 1.48 0.34 -2.51 0.00 0.00 175.55 174.99 1qxs s ASP 334 N 0.86 6.07 0.52 -0.18 -1.08 -1.26 -1.14 116.67 120.45 1qxs s ASP 334 Ca -0.04 -0.73 0.16 0.00 -0.52 0.00 0.00 52.55 51.42 1qxs s ASP 334 Cb -0.04 -2.56 0.89 0.00 -1.46 0.00 0.00 42.92 39.75 1qxs s ASP 334 CO -0.12 -1.88 1.44 -0.55 0.52 0.00 0.00 175.17 174.59 1qxs h ASN 335 N 10.66 0.00 0.00 -0.34 -1.07 -1.89 -1.48 115.58 121.47 1qxs h ASN 335 Ca -0.07 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.01 1qxs h ASN 335 Cb 1.04 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.25 1qxs h ASN 335 CO 1.32 0.00 -1.92 -0.62 0.07 0.00 0.00 177.43 176.28 1qxs n GLU 336 N -2.43 0.56 0.08 4.14 1.02 -1.26 -4.48 120.64 118.28 1qxs n GLU 336 Ca -0.01 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1qxs n GLU 336 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.33 1qxs n GLU 336 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1qxs h TRP 337 N -1.00 -0.17 0.41 -0.32 2.91 -1.69 -2.53 115.95 113.56 1qxs h TRP 337 Ca -0.45 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.56 1qxs h TRP 337 Cb 1.37 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 30.05 1qxs h TRP 337 CO -0.18 0.11 -0.41 0.78 -1.03 0.00 0.00 178.44 177.71 1qxs h GLY 338 N -0.45 -0.98 0.21 2.65 0.00 -1.34 -1.94 103.07 101.23 1qxs h GLY 338 Ca -0.02 0.47 0.11 0.00 0.00 0.00 0.00 47.33 47.89 1qxs h GLY 338 CO 0.03 -0.33 0.15 -1.82 0.00 0.00 0.00 176.54 174.58 1qxs h TYR 339 N -0.84 0.25 -0.48 5.60 5.03 -1.73 -0.37 116.97 124.43 1qxs h TYR 339 Ca -0.04 0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.39 1qxs h TYR 339 Cb 0.74 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.94 1qxs h TYR 339 CO -0.22 -0.01 0.08 0.77 -1.32 0.00 0.00 178.16 177.47 1qxs h SER 340 N 0.29 -0.02 -0.74 -2.11 0.02 -1.13 0.09 113.55 109.95 1qxs h SER 340 Ca 0.32 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.32 1qxs h SER 340 Cb 0.47 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1qxs h SER 340 CO -0.39 0.02 0.32 0.45 -1.14 0.00 0.00 176.83 176.10 1qxs h HIS 341 N 0.22 1.11 -0.61 3.45 3.86 -0.55 -2.35 115.15 120.28 1qxs h HIS 341 Ca 0.24 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1qxs h HIS 341 Cb 0.32 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 1qxs h HIS 341 CO -0.23 0.83 0.29 0.00 0.86 0.00 0.00 177.93 179.68 1qxs h ARG 342 N 1.08 0.85 -0.61 2.45 2.47 0.61 0.85 114.38 122.08 1qxs h ARG 342 Ca 0.26 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1qxs h ARG 342 Cb 0.17 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1qxs h ARG 342 CO -0.03 0.66 0.38 0.28 0.56 0.00 0.00 179.97 181.82 1qxs h VAL 343 N 0.85 1.17 -0.57 2.04 2.07 -0.55 0.37 116.25 121.64 1qxs h VAL 343 Ca 0.21 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1qxs h VAL 343 Cb 0.08 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1qxs h VAL 343 CO -0.03 0.17 0.12 0.58 0.02 0.00 0.00 177.57 178.44 1qxs h VAL 344 N 0.82 1.25 -0.27 2.57 2.07 -1.11 -2.23 116.25 119.35 1qxs h VAL 344 Ca 0.22 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1qxs h VAL 344 Cb -0.04 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1qxs h VAL 344 CO -0.04 0.34 0.04 0.44 0.02 0.00 0.00 177.57 178.37 1qxs h ASP 345 N 0.82 -0.02 -0.65 0.57 5.19 0.48 0.24 116.42 123.06 1qxs h ASP 345 Ca 0.18 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1qxs h ASP 345 Cb 0.37 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 1qxs h ASP 345 CO 0.01 0.03 0.42 0.25 -3.12 0.00 0.00 179.24 176.83 1qxs h LEU 346 N 0.14 0.75 -0.11 1.55 5.85 -0.17 0.55 115.31 123.87 1qxs h LEU 346 Ca 0.13 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1qxs h LEU 346 Cb 0.14 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1qxs h LEU 346 CO -0.18 0.55 0.01 0.58 -0.34 0.00 0.00 178.44 179.06 1qxs h VAL 347 N 0.88 1.23 -0.41 1.05 2.07 -1.00 0.15 116.25 120.21 1qxs h VAL 347 Ca 0.24 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1qxs h VAL 347 Cb -0.09 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1qxs h VAL 347 CO -0.05 0.21 0.19 0.03 0.02 0.00 0.00 177.57 177.97 1qxs h ARG 348 N -0.05 0.37 0.24 1.57 2.47 -0.29 -0.64 114.38 118.06 1qxs h ARG 348 Ca 0.03 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1qxs h ARG 348 Cb 0.31 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1qxs h ARG 348 CO 0.00 0.25 -0.28 1.25 0.56 0.00 0.00 179.97 181.75 1qxs h HIS 349 N 0.38 -0.78 -0.88 3.04 2.76 -0.72 -2.57 115.15 116.38 1qxs h HIS 349 Ca 0.18 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.52 1qxs h HIS 349 Cb 0.11 0.31 -0.16 0.00 1.55 0.00 0.00 27.41 29.22 1qxs h HIS 349 CO -0.12 -0.36 -0.31 0.52 -1.30 0.00 0.00 177.93 176.36 1qxs h MET 350 N -0.53 -0.03 0.00 5.26 2.86 -0.76 -1.74 114.93 119.99 1qxs h MET 350 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1qxs h MET 350 Cb 0.47 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1qxs h MET 350 CO -0.05 -0.02 0.00 0.00 1.06 0.00 0.00 176.91 177.90 1qxs n ALA 351 N -3.42 -0.10 -0.34 6.32 0.00 -0.26 0.24 120.51 122.95 1qxs n ALA 351 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.71 1qxs n ALA 351 Cb 0.42 0.29 0.33 0.00 0.00 0.00 0.00 19.45 20.49 1qxs n ALA 351 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qxs h SER 352 N 0.00 -0.36 0.08 0.00 4.64 -0.98 0.59 113.55 117.51 1qxs h SER 352 Ca 0.00 0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1qxs h SER 352 Cb 0.00 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1qxs h SER 352 CO 0.00 -0.36 -0.04 0.11 -0.87 0.00 0.00 176.83 175.67 1qxs h LYS 353 N 0.02 -0.10 -0.25 4.77 1.79 -0.56 -2.21 116.57 120.02 1qxs h LYS 353 Ca 0.63 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 59.14 1qxs h LYS 353 Cb 1.36 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1qxs h LYS 353 CO -0.89 0.03 0.17 -0.44 -1.08 0.00 0.00 179.45 177.24 1qxs h ASP 354 N -0.21 0.16 -0.37 0.86 3.45 0.45 -0.77 116.42 119.99 1qxs h ASP 354 Ca -0.01 -0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 1qxs h ASP 354 Cb 0.18 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1qxs h ASP 354 CO 0.02 0.11 -0.09 0.03 -1.57 0.00 0.00 179.24 177.74 1qxs h ARG 355 N 0.19 0.72 0.01 3.56 -0.00 -0.24 -1.20 114.38 117.42 1qxs h ARG 355 Ca 0.10 -0.28 -0.19 0.00 -0.50 0.00 0.00 59.98 59.12 1qxs h ARG 355 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.09 1qxs h ARG 355 CO -0.02 0.87 -0.87 0.77 0.00 0.00 0.00 179.97 180.72 1qxs h SER 356 N 0.52 0.14 1.04 7.04 0.02 -0.78 0.89 113.55 122.41 1qxs h SER 356 Ca 0.09 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 1qxs h SER 356 Cb 0.60 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1qxs h SER 356 CO 0.04 0.94 -0.68 0.00 -1.14 0.00 0.00 176.83 175.99 1qxs h ALA 357 N 1.05 0.67 0.00 3.77 0.00 -1.18 -3.21 119.26 120.36 1qxs h ALA 357 Ca -0.03 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.04 1qxs h ALA 357 Cb 1.50 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1qxs h ALA 357 CO 0.12 0.84 -1.81 2.89 0.00 0.00 0.00 179.25 181.30 1qxs n ARG 358 N -3.43 0.65 0.00 0.00 1.85 -0.46 -5.08 116.66 110.19 1qxs n ARG 358 Ca 0.00 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1qxs n ARG 358 Cb 0.74 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1qxs n ARG 358 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09