#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3r n VAL 10 N 0.00 -0.07 -0.12 3.34 0.31 -1.26 -4.79 118.33 115.75 1q3r n VAL 10 Ca 0.00 -0.68 -0.25 0.00 -0.01 0.00 0.00 64.34 63.40 1q3r n VAL 10 Cb 0.00 -2.43 -0.11 0.00 -0.91 0.00 0.00 33.84 30.39 1q3r n VAL 10 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1q3r n ILE 11 N 8.04 1.54 -3.76 2.52 2.08 -1.26 -4.98 119.36 123.55 1q3r n ILE 11 Ca 0.42 -0.40 -0.33 0.00 0.56 0.00 0.00 62.75 63.00 1q3r n ILE 11 Cb 0.48 -1.77 -0.05 0.00 -0.75 0.00 0.00 39.64 37.55 1q3r n ILE 11 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1q3r s LEU 12 N -7.27 4.33 0.33 1.39 1.43 -1.26 -5.06 118.68 112.57 1q3r s LEU 12 Ca -0.35 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 1q3r s LEU 12 Cb 0.11 -2.97 -0.11 0.00 0.03 0.00 0.00 46.19 43.25 1q3r s LEU 12 CO 0.56 0.16 1.52 -2.84 0.23 0.00 0.00 176.35 175.98 1q3r s PRO 13 N -2.25 4.13 0.37 1.29 0.02 -1.26 -4.91 135.00 132.39 1q3r s PRO 13 Ca 0.34 2.55 -0.28 0.00 0.02 0.00 0.00 61.00 63.63 1q3r s PRO 13 Cb -0.13 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 31.28 1q3r s PRO 13 CO 0.22 -0.56 1.44 -0.85 -0.33 0.00 0.00 177.00 176.92 1q3r n GLU 14 N 1.30 2.53 0.00 5.54 -0.00 -1.26 -1.81 120.64 126.94 1q3r n GLU 14 Ca 0.04 0.89 0.00 0.00 -0.00 0.00 0.00 57.16 58.09 1q3r n GLU 14 Cb 0.39 -2.59 0.00 0.00 -0.00 0.00 0.00 31.44 29.24 1q3r n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q3r n GLY 15 N 0.53 2.43 3.79 -1.84 0.00 -1.26 -4.87 105.19 103.97 1q3r n GLY 15 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1q3r n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q3r s THR 16 N -2.51 4.30 0.04 2.61 -4.23 -0.75 -3.86 115.64 111.23 1q3r s THR 16 Ca 0.00 1.68 0.08 0.00 -1.18 0.00 0.00 61.69 62.27 1q3r s THR 16 Cb 0.00 -3.94 -0.03 0.00 1.34 0.00 0.00 72.50 69.88 1q3r s THR 16 CO 0.00 0.10 -0.23 0.00 -0.54 0.00 0.00 174.62 173.95 1q3r s GLN 17 N -2.17 1.58 -0.06 3.99 -2.07 -0.54 -4.98 119.66 115.42 1q3r s GLN 17 Ca 0.50 -0.98 -0.04 0.00 -1.82 0.00 0.00 55.36 53.02 1q3r s GLN 17 Cb -0.17 -1.70 0.02 0.00 -1.09 0.00 0.00 33.01 30.07 1q3r s GLN 17 CO 0.22 0.44 0.14 0.50 -1.32 0.00 0.00 175.29 175.27 1q3r s ARG 18 N -1.12 0.14 0.07 9.60 3.52 -1.26 -1.44 118.95 128.45 1q3r s ARG 18 Ca 0.09 0.26 0.08 0.00 -0.13 0.00 0.00 55.73 56.03 1q3r s ARG 18 Cb -0.09 -0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.25 1q3r s ARG 18 CO 0.02 -0.07 -0.21 0.71 -0.81 0.00 0.00 175.30 174.93 1q3r s TYR 19 N 0.47 1.84 0.18 5.12 1.51 -0.75 -4.98 117.35 120.75 1q3r s TYR 19 Ca -0.03 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1q3r s TYR 19 Cb -0.05 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1q3r s TYR 19 CO -0.02 0.15 0.15 0.14 -1.11 0.00 0.00 175.55 174.86 1q3r s VAL 20 N -0.95 0.03 0.00 0.71 -7.23 -1.26 -0.67 120.40 111.03 1q3r s VAL 20 Ca 0.07 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1q3r s VAL 20 Cb -0.09 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1q3r s VAL 20 CO 0.03 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1q3r n GLY 21 N -0.22 2.74 0.28 2.32 0.00 0.33 -1.80 105.19 108.85 1q3r n GLY 21 Ca -0.01 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 45.89 1q3r n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q3r h ARG 22 N 0.00 0.00 -0.29 1.61 2.43 -1.97 -2.33 114.38 113.83 1q3r h ARG 22 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1q3r h ARG 22 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1q3r h ARG 22 CO 0.00 0.07 -0.53 -0.44 -1.51 0.00 0.00 179.97 177.56 1q3r h ASP 23 N 0.00 0.97 -0.72 -3.80 3.32 -1.75 0.19 116.42 114.63 1q3r h ASP 23 Ca -0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 1q3r h ASP 23 Cb 0.27 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1q3r h ASP 23 CO 0.01 1.32 0.31 0.00 -1.72 0.00 0.00 179.24 179.16 1q3r h ALA 24 N 0.68 0.93 0.11 3.45 0.00 -1.17 -2.21 119.26 121.05 1q3r h ALA 24 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1q3r h ALA 24 Cb 1.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1q3r h ALA 24 CO 0.12 0.53 -0.05 1.96 0.00 0.00 0.00 179.25 181.80 1q3r h GLN 25 N 1.02 -0.14 -0.52 0.00 4.20 -1.27 -1.84 115.11 116.56 1q3r h GLN 25 Ca 0.24 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.05 1q3r h GLN 25 Cb 0.17 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 1q3r h GLN 25 CO -0.02 0.13 0.13 -0.09 -0.67 0.00 0.00 178.83 178.31 1q3r h ARG 26 N -0.40 0.27 0.06 1.46 2.43 -0.52 0.42 114.38 118.11 1q3r h ARG 26 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1q3r h ARG 26 Cb 0.33 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1q3r h ARG 26 CO 0.02 0.18 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.57 1q3r h LEU 27 N 0.28 -0.07 -0.47 3.80 -0.00 -1.41 -1.38 115.31 116.06 1q3r h LEU 27 Ca 0.26 -0.20 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1q3r h LEU 27 Cb 0.33 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.97 1q3r h LEU 27 CO -0.31 0.16 0.27 0.78 -0.00 0.00 0.00 178.44 179.34 1q3r h ASN 28 N -0.31 0.42 -0.20 -0.43 -0.26 -0.98 -0.51 115.58 113.31 1q3r h ASN 28 Ca -0.01 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1q3r h ASN 28 Cb 0.27 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1q3r h ASN 28 CO 0.01 0.30 0.06 0.40 -1.06 0.00 0.00 177.43 177.15 1q3r h ILE 29 N 0.54 1.19 -0.02 2.81 1.08 -0.93 -2.04 117.51 120.13 1q3r h ILE 29 Ca 0.20 -0.59 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1q3r h ILE 29 Cb 0.05 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1q3r h ILE 29 CO -0.10 0.19 -0.05 0.25 -0.69 0.00 0.00 178.15 177.75 1q3r h LEU 30 N 0.16 -0.13 -0.13 1.44 6.46 -0.99 0.29 115.31 122.41 1q3r h LEU 30 Ca 0.07 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 1q3r h LEU 30 Cb 0.23 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 1q3r h LEU 30 CO -0.00 -0.07 -0.28 0.00 -0.62 0.00 0.00 178.44 177.47 1q3r h ALA 31 N 0.94 -0.29 -0.52 1.25 0.00 -1.03 0.70 119.26 120.31 1q3r h ALA 31 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1q3r h ALA 31 Cb 0.11 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1q3r h ALA 31 CO -0.06 -0.75 0.25 0.00 0.00 0.00 0.00 179.25 178.69 1q3r h ALA 32 N 0.53 0.66 0.02 0.00 0.00 -1.04 -1.81 119.26 117.62 1q3r h ALA 32 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1q3r h ALA 32 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1q3r h ALA 32 CO -0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 179.25 178.76 1q3r h ARG 33 N 0.48 -0.10 -0.95 0.00 3.08 0.41 -1.21 114.38 116.09 1q3r h ARG 33 Ca 0.23 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.35 1q3r h ARG 33 Cb 0.16 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1q3r h ARG 33 CO -0.18 -0.06 0.61 0.82 -1.07 0.00 0.00 179.97 180.09 1q3r h ILE 34 N -0.10 1.09 -0.88 2.04 2.04 -0.61 0.39 117.51 121.47 1q3r h ILE 34 Ca 0.01 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1q3r h ILE 34 Cb 0.11 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.02 1q3r h ILE 34 CO -0.04 0.20 0.53 0.40 0.00 0.00 0.00 178.15 179.25 1q3r h ILE 35 N 1.12 1.24 -0.45 -0.67 1.08 -0.96 0.50 117.51 119.38 1q3r h ILE 35 Ca 0.41 -0.53 -0.11 0.00 -0.39 0.00 0.00 64.86 64.24 1q3r h ILE 35 Cb 0.14 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.87 1q3r h ILE 35 CO -0.16 0.25 -0.16 0.00 -0.69 0.00 0.00 178.15 177.39 1q3r h ALA 36 N 1.29 0.62 -0.03 1.87 0.00 0.20 -2.72 119.26 120.50 1q3r h ALA 36 Ca 0.32 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1q3r h ALA 36 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1q3r h ALA 36 CO -0.06 0.56 -0.23 0.93 0.00 0.00 0.00 179.25 180.45 1q3r h GLU 37 N 0.73 0.05 -0.11 0.00 5.08 0.17 -1.81 114.58 118.69 1q3r h GLU 37 Ca 0.11 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1q3r h GLU 37 Cb 0.72 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1q3r h GLU 37 CO 0.05 0.27 -0.41 1.15 -1.00 0.00 0.00 179.01 179.08 1q3r h THR 38 N 0.04 1.31 0.00 1.13 2.02 -0.60 -3.27 112.91 113.54 1q3r h THR 38 Ca 0.01 -1.51 -0.13 0.00 0.77 0.00 0.00 66.41 65.54 1q3r h THR 38 Cb 0.43 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1q3r h THR 38 CO 0.03 0.45 -1.86 1.33 0.37 0.00 0.00 175.52 175.85 1q3r n VAL 39 N -4.03 0.69 0.19 3.16 0.24 -1.07 -4.34 118.33 113.18 1q3r n VAL 39 Ca -0.01 -0.64 0.18 0.00 -2.04 0.00 0.00 64.34 61.83 1q3r n VAL 39 Cb 0.48 -0.32 0.82 0.00 -1.47 0.00 0.00 33.84 33.34 1q3r n VAL 39 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1q3r h ARG 40 N 0.00 0.00 0.00 7.34 0.11 -1.38 -0.94 114.38 119.51 1q3r h ARG 40 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 1q3r h ARG 40 Cb 1.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.53 1q3r h ARG 40 CO 0.02 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.34 1q3r n THR 41 N -3.55 0.09 0.26 0.08 -2.24 -1.26 -1.98 114.28 105.68 1q3r n THR 41 Ca 0.03 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 1q3r n THR 41 Cb 0.43 -0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 67.79 1q3r n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q3r n THR 42 N -1.05 0.00 -1.91 4.28 -2.24 -0.36 -1.76 114.28 111.24 1q3r n THR 42 Ca 0.12 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1q3r n THR 42 Cb 0.07 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1q3r n THR 42 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1q3r s LEU 43 N -3.76 4.37 0.00 3.22 2.96 -0.84 -4.14 118.68 120.49 1q3r s LEU 43 Ca -0.02 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1q3r s LEU 43 Cb 0.12 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1q3r s LEU 43 CO 0.73 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 1q3r n GLY 44 N 3.33 0.19 0.29 7.98 0.00 -1.26 -3.82 105.19 111.90 1q3r n GLY 44 Ca 0.12 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.33 1q3r n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q3r h PRO 45 N 0.00 0.28 -0.64 1.61 0.11 -1.89 -1.65 132.00 129.82 1q3r h PRO 45 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1q3r h PRO 45 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1q3r h PRO 45 CO 0.00 0.19 0.00 1.63 -0.21 0.00 0.00 178.00 179.61 1q3r n LYS 46 N -4.50 4.11 -2.63 1.05 4.01 -1.26 -4.24 118.16 114.69 1q3r n LYS 46 Ca 0.01 -2.94 -0.35 0.00 -0.51 0.00 0.00 58.31 54.51 1q3r n LYS 46 Cb 0.09 -2.02 -0.05 0.00 -0.51 0.00 0.00 35.03 32.53 1q3r n LYS 46 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1q3r s GLY 47 N -0.84 2.62 0.55 0.72 0.00 -0.62 -4.66 107.32 105.09 1q3r s GLY 47 Ca 0.52 0.59 0.08 0.00 0.00 0.00 0.00 44.72 45.92 1q3r s GLY 47 CO 0.22 0.97 0.65 1.06 0.00 0.00 0.00 173.10 175.99 1q3r s MET 48 N -2.73 2.34 0.32 2.90 -1.94 -0.72 -4.87 119.30 114.59 1q3r s MET 48 Ca 0.60 -1.71 0.08 0.00 -1.71 0.00 0.00 55.69 52.95 1q3r s MET 48 Cb -0.18 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 1q3r s MET 48 CO 0.22 -0.72 0.12 -0.51 -0.01 0.00 0.00 175.02 174.13 1q3r s ASP 49 N -4.51 4.75 0.16 3.03 1.01 -1.26 -4.13 116.67 115.72 1q3r s ASP 49 Ca 0.53 -0.69 0.09 0.00 0.71 0.00 0.00 52.55 53.19 1q3r s ASP 49 Cb -0.05 -0.82 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 1q3r s ASP 49 CO 0.33 -0.22 -0.15 -0.54 0.21 0.00 0.00 175.17 174.80 1q3r s LYS 50 N -3.82 1.86 -0.24 8.23 1.02 -0.03 -4.96 119.74 121.79 1q3r s LYS 50 Ca 0.36 -1.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 1q3r s LYS 50 Cb -0.04 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1q3r s LYS 50 CO 0.22 0.45 -0.06 1.41 -0.92 0.00 0.00 175.35 176.45 1q3r s MET 51 N -2.52 2.95 -0.25 1.68 -2.45 -1.26 -1.80 119.30 115.65 1q3r s MET 51 Ca 0.21 -0.90 -0.04 0.00 -1.25 0.00 0.00 55.69 53.72 1q3r s MET 51 Cb -0.09 -2.97 0.01 0.00 1.25 0.00 0.00 34.83 33.02 1q3r s MET 51 CO 0.12 -0.35 -0.01 -0.51 1.05 0.00 0.00 175.02 175.32 1q3r s LEU 52 N 1.36 3.31 -0.26 4.11 1.43 0.23 -4.95 118.68 123.90 1q3r s LEU 52 Ca 0.02 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1q3r s LEU 52 Cb -0.16 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1q3r s LEU 52 CO -0.05 -0.12 0.01 -0.69 0.23 0.00 0.00 176.35 175.73 1q3r s VAL 53 N 1.42 3.48 0.89 -1.59 1.01 -1.26 -0.28 120.40 124.08 1q3r s VAL 53 Ca 0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1q3r s VAL 53 Cb -0.16 -2.74 0.13 0.00 0.00 0.00 0.00 36.38 33.61 1q3r s VAL 53 CO -0.02 0.19 1.18 1.51 0.00 0.00 0.00 175.10 177.96 1q3r s ASP 54 N 1.44 3.70 0.03 3.32 1.47 -0.63 -4.89 116.67 121.11 1q3r s ASP 54 Ca 0.02 0.78 0.02 0.00 1.18 0.00 0.00 52.55 54.55 1q3r s ASP 54 Cb -0.16 -1.23 0.10 0.00 -0.34 0.00 0.00 42.92 41.28 1q3r s ASP 54 CO -0.01 -2.41 1.02 -1.54 0.68 0.00 0.00 175.17 172.91 1q3r n SER 55 N -3.65 0.05 -0.06 2.11 3.41 -1.26 -1.05 113.62 113.17 1q3r n SER 55 Ca 0.09 0.49 0.07 0.00 -0.26 0.00 0.00 58.87 59.25 1q3r n SER 55 Cb 0.60 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 1q3r n SER 55 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1q3r n LEU 56 N -1.53 0.83 0.00 1.04 0.00 -1.26 -5.00 117.00 111.07 1q3r n LEU 56 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 56.01 55.46 1q3r n LEU 56 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.46 1q3r n LEU 56 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 177.39 178.20 1q3r n GLY 57 N 1.30 1.81 3.77 -3.96 0.00 -0.21 -5.08 105.19 102.81 1q3r n GLY 57 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1q3r n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q3r s ASP 58 N -1.67 6.38 -0.15 1.61 2.15 -1.26 -4.74 116.67 118.99 1q3r s ASP 58 Ca 0.00 2.99 -0.02 0.00 0.43 0.00 0.00 52.55 55.95 1q3r s ASP 58 Cb 0.00 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 1q3r s ASP 58 CO 0.00 -0.87 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.42 1q3r s ILE 59 N -0.71 3.48 -0.13 4.11 1.01 -1.26 -1.60 121.20 126.11 1q3r s ILE 59 Ca 0.56 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1q3r s ILE 59 Cb -0.47 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.52 1q3r s ILE 59 CO 0.57 0.50 -0.16 -0.69 0.00 0.00 0.00 174.94 175.16 1q3r s VAL 60 N 0.43 1.63 -0.20 2.92 1.01 0.62 -4.97 120.40 121.84 1q3r s VAL 60 Ca -0.07 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1q3r s VAL 60 Cb -0.15 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1q3r s VAL 60 CO 0.04 0.47 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 1q3r s VAL 61 N 1.09 2.10 0.32 2.92 1.01 -1.26 0.77 120.40 127.35 1q3r s VAL 61 Ca -0.04 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 1q3r s VAL 61 Cb -0.14 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.28 1q3r s VAL 61 CO -0.04 0.39 0.68 0.28 0.00 0.00 0.00 175.10 176.40 1q3r s THR 62 N 1.24 0.00 0.00 3.92 -1.32 -0.75 -4.71 115.64 114.03 1q3r s THR 62 Ca 0.01 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 1q3r s THR 62 Cb -0.15 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1q3r s THR 62 CO -0.11 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.10 1q3r n ASN 63 N -0.88 0.00 -4.66 8.08 2.85 -1.26 -0.85 115.26 118.54 1q3r n ASN 63 Ca -0.05 -0.46 -0.43 0.00 -0.11 0.00 0.00 54.58 53.54 1q3r n ASN 63 Cb 0.60 0.91 -0.03 0.00 1.24 0.00 0.00 39.78 42.51 1q3r n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1q3r s ASP 64 N -0.91 6.72 0.13 1.20 -1.08 -1.26 -4.90 116.67 116.57 1q3r s ASP 64 Ca 0.00 2.00 -0.24 0.00 -0.52 0.00 0.00 52.55 53.78 1q3r s ASP 64 Cb 0.00 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 1q3r s ASP 64 CO 0.00 -0.91 1.63 1.23 0.52 0.00 0.00 175.17 177.64 1q3r h GLY 65 N 10.25 -0.28 0.48 2.66 0.00 -1.95 -0.87 103.07 113.37 1q3r h GLY 65 Ca -0.35 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1q3r h GLY 65 CO 0.96 -0.20 0.18 0.00 0.00 0.00 0.00 176.54 177.49 1q3r h ALA 66 N 0.61 0.64 -0.00 3.60 0.00 -1.87 -1.85 119.26 120.39 1q3r h ALA 66 Ca 0.10 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1q3r h ALA 66 Cb 0.46 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1q3r h ALA 66 CO -0.30 -0.22 0.00 1.15 0.00 0.00 0.00 179.25 179.89 1q3r h THR 67 N 0.36 1.03 -0.75 0.00 2.02 -1.84 -0.35 112.91 113.37 1q3r h THR 67 Ca 0.25 -0.09 0.10 0.00 0.77 0.00 0.00 66.41 67.45 1q3r h THR 67 Cb 0.29 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 1q3r h THR 67 CO -0.26 0.02 0.38 0.40 0.37 0.00 0.00 175.52 176.43 1q3r h ILE 68 N -0.03 0.83 -0.03 3.11 2.04 -0.72 -0.62 117.51 122.09 1q3r h ILE 68 Ca 0.00 -0.22 -0.19 0.00 1.00 0.00 0.00 64.86 65.46 1q3r h ILE 68 Cb 0.04 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1q3r h ILE 68 CO -0.00 0.11 -0.80 -0.07 0.00 0.00 0.00 178.15 177.40 1q3r h LEU 69 N 0.63 0.33 -0.32 1.44 3.38 -1.11 -1.68 115.31 117.98 1q3r h LEU 69 Ca 0.38 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1q3r h LEU 69 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1q3r h LEU 69 CO -0.28 1.00 -0.05 -0.78 0.09 0.00 0.00 178.44 178.41 1q3r h ASP 70 N 0.17 0.60 -0.05 -0.43 3.58 -0.51 -3.30 116.42 116.47 1q3r h ASP 70 Ca -0.04 -0.35 -0.15 0.00 0.42 0.00 0.00 57.03 56.91 1q3r h ASP 70 Cb 1.39 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 42.29 1q3r h ASP 70 CO 0.13 0.81 -0.56 0.11 -2.88 0.00 0.00 179.24 176.84 1q3r h LYS 71 N 0.38 0.47 -7.07 0.28 1.79 -1.17 -3.46 116.57 107.80 1q3r h LYS 71 Ca 0.08 -0.44 -0.55 0.00 -2.18 0.00 0.00 60.65 57.56 1q3r h LYS 71 Cb 0.53 0.11 0.18 0.00 -1.58 0.00 0.00 32.23 31.47 1q3r h LYS 71 CO 0.03 1.08 0.26 1.51 -1.08 0.00 0.00 179.45 181.25 1q3r n ILE 72 N -4.22 2.96 -3.47 1.86 3.06 -0.63 -4.95 119.36 113.96 1q3r n ILE 72 Ca -0.09 -0.34 -0.43 0.00 -2.50 0.00 0.00 62.75 59.39 1q3r n ILE 72 Cb 0.64 -1.21 -0.06 0.00 0.54 0.00 0.00 39.64 39.55 1q3r n ILE 72 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1q3r s ASP 73 N -1.76 6.08 0.16 9.51 3.68 -1.26 -4.94 116.67 128.15 1q3r s ASP 73 Ca 0.75 -2.48 -0.19 0.00 2.13 0.00 0.00 52.55 52.76 1q3r s ASP 73 Cb -0.33 -2.08 -0.08 0.00 -1.45 0.00 0.00 42.92 38.99 1q3r s ASP 73 CO 0.49 -0.58 0.66 -0.76 0.13 0.00 0.00 175.17 175.11 1q3r s LEU 74 N 0.51 4.43 -0.25 -1.34 1.43 -1.26 -5.01 118.68 117.18 1q3r s LEU 74 Ca 0.13 1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 1q3r s LEU 74 Cb -0.18 -3.30 -0.11 0.00 0.03 0.00 0.00 46.19 42.63 1q3r s LEU 74 CO -0.04 0.14 -0.33 0.00 0.23 0.00 0.00 176.35 176.34 1q3r n GLN 75 N 1.12 0.54 -1.71 1.70 1.13 -1.26 -4.92 117.38 113.98 1q3r n GLN 75 Ca -0.05 0.24 -0.43 0.00 -1.94 0.00 0.00 57.00 54.81 1q3r n GLN 75 Cb 0.51 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.42 1q3r n GLN 75 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1q3r n HIS 76 N -4.17 2.61 -0.33 1.08 -0.00 -1.26 -4.88 115.22 108.26 1q3r n HIS 76 Ca -0.48 0.19 -0.02 0.00 0.46 0.00 0.00 57.72 57.88 1q3r n HIS 76 Cb 0.83 -2.60 0.11 0.00 -0.12 0.00 0.00 29.99 28.21 1q3r n HIS 76 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1q3r h PRO 77 N 5.76 1.11 -0.75 1.57 0.11 -1.98 -0.31 132.00 137.50 1q3r h PRO 77 Ca -0.45 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1q3r h PRO 77 Cb 1.23 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1q3r h PRO 77 CO 0.88 0.73 0.32 0.00 -0.21 0.00 0.00 178.00 179.72 1q3r h ALA 78 N 1.36 1.14 -0.23 -0.75 0.00 -1.90 -1.25 119.26 117.63 1q3r h ALA 78 Ca 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1q3r h ALA 78 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1q3r h ALA 78 CO -0.11 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.85 1q3r h ALA 79 N 1.26 0.30 -0.57 0.00 0.00 -1.57 -2.34 119.26 116.34 1q3r h ALA 79 Ca 0.26 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.20 1q3r h ALA 79 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1q3r h ALA 79 CO -0.03 -0.09 0.43 0.87 0.00 0.00 0.00 179.25 180.43 1q3r h LYS 80 N 0.21 0.00 0.00 0.00 1.57 -0.47 -0.12 116.57 117.77 1q3r h LYS 80 Ca 0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 1q3r h LYS 80 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1q3r h LYS 80 CO -0.00 0.00 -0.67 0.52 -0.57 0.00 0.00 179.45 178.72 1q3r h MET 81 N 0.00 0.00 -0.01 3.15 2.86 -0.69 -3.08 114.93 117.16 1q3r h MET 81 Ca 0.27 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.80 1q3r h MET 81 Cb 1.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1q3r h MET 81 CO -0.00 0.67 -0.52 1.98 1.06 0.00 0.00 176.91 180.10 1q3r h MET 82 N 0.00 0.01 -0.34 1.72 4.05 -0.89 -2.67 114.93 116.82 1q3r h MET 82 Ca -0.01 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1q3r h MET 82 Cb 1.35 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.14 1q3r h MET 82 CO 0.09 0.53 0.21 0.28 0.23 0.00 0.00 176.91 178.24 1q3r h VAL 83 N 0.01 1.10 -0.17 -5.77 2.07 -1.42 -1.68 116.25 110.39 1q3r h VAL 83 Ca -0.00 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1q3r h VAL 83 Cb 0.92 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1q3r h VAL 83 CO 0.07 0.10 -0.33 -0.33 0.02 0.00 0.00 177.57 177.10 1q3r h GLU 84 N 0.46 0.33 0.15 1.57 5.08 -1.55 -2.24 114.58 118.38 1q3r h GLU 84 Ca 0.12 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1q3r h GLU 84 Cb -0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1q3r h GLU 84 CO -0.02 0.63 -0.07 0.28 -1.00 0.00 0.00 179.01 178.82 1q3r h VAL 85 N 0.29 0.85 -0.72 3.13 2.07 -1.37 -0.91 116.25 119.59 1q3r h VAL 85 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1q3r h VAL 85 Cb 0.72 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1q3r h VAL 85 CO 0.06 0.00 0.35 0.00 0.02 0.00 0.00 177.57 178.00 1q3r h ALA 86 N 0.64 1.27 -0.35 1.67 0.00 -1.42 -1.62 119.26 119.45 1q3r h ALA 86 Ca -0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1q3r h ALA 86 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1q3r h ALA 86 CO 0.03 0.57 -0.31 0.87 0.00 0.00 0.00 179.25 180.41 1q3r h LYS 87 N 1.01 0.83 -0.07 0.00 1.57 -1.15 -1.84 116.57 116.92 1q3r h LYS 87 Ca 0.25 -0.42 -0.14 0.00 -1.87 0.00 0.00 60.65 58.47 1q3r h LYS 87 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1q3r h LYS 87 CO -0.03 1.06 -0.57 1.15 -0.57 0.00 0.00 179.45 180.49 1q3r h THR 88 N 0.62 1.38 -0.41 -0.16 2.02 -1.04 -2.24 112.91 113.08 1q3r h THR 88 Ca 0.06 -1.90 -0.11 0.00 0.77 0.00 0.00 66.41 65.23 1q3r h THR 88 Cb 0.89 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 1q3r h THR 88 CO 0.08 0.56 -0.19 -0.61 0.37 0.00 0.00 175.52 175.73 1q3r h GLN 89 N 0.17 0.80 -0.38 6.66 5.75 -1.23 -2.64 115.11 124.23 1q3r h GLN 89 Ca -0.00 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.11 1q3r h GLN 89 Cb 1.05 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 1q3r h GLN 89 CO 0.09 0.93 -0.06 0.22 -2.65 0.00 0.00 178.83 177.35 1q3r h ASP 90 N 0.70 0.72 -0.57 -0.69 3.58 -1.09 -0.51 116.42 118.56 1q3r h ASP 90 Ca 0.10 -0.35 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 1q3r h ASP 90 Cb 0.70 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1q3r h ASP 90 CO 0.05 0.90 -0.00 0.11 -2.88 0.00 0.00 179.24 177.41 1q3r h LYS 91 N 0.53 1.00 0.00 0.28 1.57 -1.36 -2.70 116.57 115.88 1q3r h LYS 91 Ca 0.10 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1q3r h LYS 91 Cb 0.57 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1q3r h LYS 91 CO 0.03 1.00 -0.25 0.93 -0.57 0.00 0.00 179.45 180.60 1q3r h GLU 92 N 0.89 0.00 0.00 3.15 4.39 -1.45 -3.42 114.58 118.14 1q3r h GLU 92 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1q3r h GLU 92 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1q3r h GLU 92 CO 0.03 0.64 -1.20 0.00 -1.16 0.00 0.00 179.01 177.32 1q3r n ALA 93 N -2.88 3.26 0.00 3.43 0.00 -0.22 -4.99 120.51 119.12 1q3r n ALA 93 Ca -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1q3r n ALA 93 Cb 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1q3r n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 94 N 1.49 2.22 3.95 0.00 0.00 -1.02 -4.30 105.19 107.53 1q3r n GLY 94 Ca 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1q3r n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q3r s ASP 95 N -2.66 4.73 0.00 1.61 -0.00 -1.26 -4.48 116.67 114.61 1q3r s ASP 95 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 52.55 52.81 1q3r s ASP 95 Cb 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 42.92 42.04 1q3r s ASP 95 CO 0.00 -1.62 0.00 0.61 -0.00 0.00 0.00 175.17 174.16 1q3r n GLY 96 N -2.86 0.70 0.33 0.21 0.00 -1.26 -4.80 105.19 97.51 1q3r n GLY 96 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1q3r n GLY 96 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1q3r h THR 97 N 0.00 0.37 -0.38 2.61 1.35 -1.86 0.16 112.91 115.15 1q3r h THR 97 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 1q3r h THR 97 Cb 0.00 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 66.77 1q3r h THR 97 CO 0.00 0.00 0.10 0.74 -0.25 0.00 0.00 175.52 176.11 1q3r h THR 98 N -0.62 1.22 -0.38 6.82 2.02 -1.93 -2.74 112.91 117.30 1q3r h THR 98 Ca -0.01 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.49 1q3r h THR 98 Cb 0.57 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 1q3r h THR 98 CO -0.07 0.26 -0.17 0.74 0.37 0.00 0.00 175.52 176.65 1q3r h THR 99 N 0.47 0.46 -0.71 3.16 2.02 -1.92 0.11 112.91 116.50 1q3r h THR 99 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1q3r h THR 99 Cb 0.30 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1q3r h THR 99 CO 0.00 0.00 0.42 0.00 0.37 0.00 0.00 175.52 176.31 1q3r h ALA 100 N 1.19 0.91 -0.51 6.16 0.00 -0.88 0.11 119.26 126.24 1q3r h ALA 100 Ca 0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1q3r h ALA 100 Cb 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1q3r h ALA 100 CO -0.45 0.39 -0.17 0.28 0.00 0.00 0.00 179.25 179.30 1q3r h VAL 101 N 0.97 1.27 -0.21 0.00 2.07 -1.09 -1.59 116.25 117.67 1q3r h VAL 101 Ca 0.25 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1q3r h VAL 101 Cb -0.01 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1q3r h VAL 101 CO -0.05 0.46 0.00 0.58 0.02 0.00 0.00 177.57 178.59 1q3r h VAL 102 N 0.87 1.25 -0.65 2.57 2.07 -0.39 -1.63 116.25 120.35 1q3r h VAL 102 Ca 0.12 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1q3r h VAL 102 Cb 0.73 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1q3r h VAL 102 CO 0.06 0.27 0.40 0.40 0.02 0.00 0.00 177.57 178.72 1q3r h ILE 103 N 0.14 1.09 -0.95 4.57 2.04 -0.76 -1.61 117.51 122.04 1q3r h ILE 103 Ca 0.06 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1q3r h ILE 103 Cb 0.40 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1q3r h ILE 103 CO 0.01 0.15 0.63 0.00 0.00 0.00 0.00 178.15 178.93 1q3r h ALA 104 N 1.27 1.35 0.07 1.87 0.00 -1.11 0.69 119.26 123.40 1q3r h ALA 104 Ca 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1q3r h ALA 104 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1q3r h ALA 104 CO -0.10 0.58 -0.03 0.78 0.00 0.00 0.00 179.25 180.48 1q3r h GLY 105 N 1.25 -0.10 1.38 0.00 0.00 -0.64 -2.46 103.07 102.51 1q3r h GLY 105 Ca 0.36 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1q3r h GLY 105 CO -0.09 -0.04 0.26 -2.09 0.00 0.00 0.00 176.54 174.58 1q3r h GLU 106 N -0.35 0.80 -0.36 4.80 4.57 -1.01 -1.31 114.58 121.72 1q3r h GLU 106 Ca -0.01 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1q3r h GLU 106 Cb 0.31 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1q3r h GLU 106 CO 0.02 0.63 0.09 1.25 -1.18 0.00 0.00 179.01 179.82 1q3r h LEU 107 N 0.80 0.06 -0.87 1.64 5.85 -0.77 -0.14 115.31 121.88 1q3r h LEU 107 Ca 0.20 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1q3r h LEU 107 Cb 0.11 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1q3r h LEU 107 CO -0.02 0.07 0.13 -0.07 -0.34 0.00 0.00 178.44 178.21 1q3r h LEU 108 N 0.23 0.91 0.10 2.25 3.38 -0.85 -1.50 115.31 119.83 1q3r h LEU 108 Ca 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1q3r h LEU 108 Cb 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1q3r h LEU 108 CO -0.20 0.89 -0.05 -0.09 0.09 0.00 0.00 178.44 179.09 1q3r h ARG 109 N 0.92 -0.13 -0.03 1.13 2.43 -0.15 -1.53 114.38 117.02 1q3r h ARG 109 Ca 0.19 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1q3r h ARG 109 Cb 0.35 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1q3r h ARG 109 CO 0.00 -0.06 -0.15 0.87 -1.51 0.00 0.00 179.97 179.13 1q3r h LYS 110 N -0.16 0.05 -0.23 0.20 1.79 -0.98 -2.00 116.57 115.23 1q3r h LYS 110 Ca -0.01 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 1q3r h LYS 110 Cb 0.13 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1q3r h LYS 110 CO 0.02 0.20 -0.35 0.00 -1.08 0.00 0.00 179.45 178.25 1q3r h ALA 111 N 1.80 0.96 0.00 3.86 0.00 -0.71 -2.94 119.26 122.23 1q3r h ALA 111 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1q3r h ALA 111 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1q3r h ALA 111 CO 0.02 0.61 -0.25 1.49 0.00 0.00 0.00 179.25 181.12 1q3r h GLU 112 N 0.42 0.00 0.00 0.00 4.81 -0.51 -1.61 114.58 117.69 1q3r h GLU 112 Ca 0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1q3r h GLU 112 Cb 0.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1q3r h GLU 112 CO 0.07 0.25 -0.22 0.93 -0.73 0.00 0.00 179.01 179.31 1q3r h GLU 113 N 0.00 0.00 0.17 1.92 5.08 -1.46 0.17 114.58 120.45 1q3r h GLU 113 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1q3r h GLU 113 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1q3r h GLU 113 CO 0.03 0.22 -1.44 -0.07 -1.00 0.00 0.00 179.01 176.74 1q3r h LEU 114 N 0.00 0.56 -0.43 1.33 3.38 -1.40 -2.83 115.31 115.92 1q3r h LEU 114 Ca -0.00 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 1q3r h LEU 114 Cb 0.42 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1q3r h LEU 114 CO 0.03 1.53 0.15 -0.07 0.09 0.00 0.00 178.44 180.17 1q3r h LEU 115 N 0.10 0.61 -2.02 1.67 3.38 -0.72 -1.48 115.31 116.86 1q3r h LEU 115 Ca -0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1q3r h LEU 115 Cb 2.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 1q3r h LEU 115 CO 0.21 0.64 -0.09 -0.78 0.09 0.00 0.00 178.44 178.51 1q3r h ASP 116 N 0.55 0.00 0.09 -0.43 1.82 -0.76 0.82 116.42 118.51 1q3r h ASP 116 Ca 0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1q3r h ASP 116 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1q3r h ASP 116 CO -0.01 0.09 -0.04 1.67 -1.61 0.00 0.00 179.24 179.35 1q3r n GLN 117 N -3.62 1.21 -2.73 0.28 7.27 -0.75 -4.93 117.38 114.11 1q3r n GLN 117 Ca -0.02 -0.50 -0.07 0.00 0.07 0.00 0.00 57.00 56.48 1q3r n GLN 117 Cb 0.21 -1.49 0.02 0.00 2.41 0.00 0.00 30.24 31.40 1q3r n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1q3r n ASN 118 N -0.45 -3.01 -4.47 1.69 5.03 0.28 -5.03 115.26 109.30 1q3r n ASN 118 Ca 0.19 -0.16 -0.41 0.00 0.87 0.00 0.00 54.58 55.07 1q3r n ASN 118 Cb 0.27 -1.85 -0.11 0.00 -1.02 0.00 0.00 39.78 37.07 1q3r n ASN 118 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1q3r s ILE 119 N -3.10 5.00 -0.02 2.41 1.01 -0.63 -5.03 121.20 120.85 1q3r s ILE 119 Ca 0.13 -0.47 -0.40 0.00 0.00 0.00 0.00 60.65 59.92 1q3r s ILE 119 Cb -0.06 -3.65 -0.19 0.00 0.01 0.00 0.00 42.46 38.57 1q3r s ILE 119 CO 0.22 -0.10 1.16 1.57 0.00 0.00 0.00 174.94 177.79 1q3r n HIS 120 N 5.07 0.89 0.19 3.97 -0.00 -1.26 -4.48 115.22 119.60 1q3r n HIS 120 Ca -0.12 0.98 0.18 0.00 -0.00 0.00 0.00 57.72 58.75 1q3r n HIS 120 Cb 0.48 -2.15 0.82 0.00 -0.00 0.00 0.00 29.99 29.15 1q3r n HIS 120 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1q3r h PRO 121 N 3.46 0.00 -0.61 1.57 0.13 -1.95 0.10 132.00 134.70 1q3r h PRO 121 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1q3r h PRO 121 Cb 1.41 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.51 1q3r h PRO 121 CO 0.70 0.00 0.31 1.03 -0.23 0.00 0.00 178.00 179.81 1q3r h SER 122 N 0.00 0.76 -0.10 1.44 0.87 -1.94 0.32 113.55 114.91 1q3r h SER 122 Ca 0.10 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1q3r h SER 122 Cb 0.63 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1q3r h SER 122 CO -0.00 0.64 -0.18 0.40 -0.53 0.00 0.00 176.83 177.15 1q3r h ILE 123 N 0.86 1.39 -0.32 2.23 1.08 -1.13 -1.79 117.51 119.83 1q3r h ILE 123 Ca 0.22 -1.46 0.03 0.00 -0.39 0.00 0.00 64.86 63.25 1q3r h ILE 123 Cb 0.06 2.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 1q3r h ILE 123 CO -0.03 0.42 0.15 0.40 -0.69 0.00 0.00 178.15 178.40 1q3r h ILE 124 N -0.16 0.97 -0.49 -0.67 2.04 -1.21 -0.83 117.51 117.16 1q3r h ILE 124 Ca 0.00 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1q3r h ILE 124 Cb 0.76 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1q3r h ILE 124 CO 0.04 0.06 0.24 0.74 0.00 0.00 0.00 178.15 179.23 1q3r h THR 125 N 0.32 0.95 -0.13 -0.27 2.02 -0.40 -0.14 112.91 115.26 1q3r h THR 125 Ca 0.14 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1q3r h THR 125 Cb 0.06 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1q3r h THR 125 CO -0.10 0.09 0.04 0.50 0.37 0.00 0.00 175.52 176.41 1q3r h LYS 126 N 0.47 0.20 -0.71 6.66 3.64 -0.93 -1.98 116.57 123.92 1q3r h LYS 126 Ca 0.22 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1q3r h LYS 126 Cb 0.13 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1q3r h LYS 126 CO -0.16 0.34 0.42 0.78 -2.27 0.00 0.00 179.45 178.56 1q3r h GLY 127 N 0.02 1.04 1.04 5.01 0.00 -0.84 -0.33 103.07 109.01 1q3r h GLY 127 Ca 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1q3r h GLY 127 CO -0.00 0.21 0.33 -0.97 0.00 0.00 0.00 176.54 176.11 1q3r h TYR 128 N 0.79 1.19 -0.56 5.60 0.99 -0.91 -1.00 116.97 123.06 1q3r h TYR 128 Ca 0.31 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 1q3r h TYR 128 Cb 0.13 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.48 1q3r h TYR 128 CO -0.06 0.89 0.13 0.00 -0.00 0.00 0.00 178.16 179.12 1q3r h ALA 129 N 1.17 1.17 -0.16 3.88 0.00 -0.69 0.18 119.26 124.81 1q3r h ALA 129 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1q3r h ALA 129 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1q3r h ALA 129 CO -0.02 0.56 0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1q3r h LEU 130 N 0.83 0.25 -0.72 0.00 3.38 -0.51 -1.29 115.31 117.26 1q3r h LEU 130 Ca 0.18 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1q3r h LEU 130 Cb 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1q3r h LEU 130 CO -0.00 0.41 0.27 0.00 0.09 0.00 0.00 178.44 179.21 1q3r h ALA 131 N 0.84 0.93 -0.08 1.53 0.00 -0.92 -1.19 119.26 120.38 1q3r h ALA 131 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1q3r h ALA 131 Cb 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1q3r h ALA 131 CO 0.00 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.87 1q3r h ALA 132 N 1.13 0.09 -0.76 0.00 0.00 -0.49 0.24 119.26 119.47 1q3r h ALA 132 Ca 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1q3r h ALA 132 Cb 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1q3r h ALA 132 CO -0.02 -0.42 0.50 0.93 0.00 0.00 0.00 179.25 180.25 1q3r h GLU 133 N 0.10 1.01 0.00 0.00 3.07 -1.02 -1.83 114.58 115.91 1q3r h GLU 133 Ca 0.03 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 1q3r h GLU 133 Cb -0.01 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 1q3r h GLU 133 CO -0.01 0.67 -0.36 -0.22 -1.40 0.00 0.00 179.01 177.69 1q3r h LYS 134 N 1.03 0.00 -0.43 2.33 1.63 -0.80 -2.80 116.57 117.54 1q3r h LYS 134 Ca 0.28 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1q3r h LYS 134 Cb -0.11 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1q3r h LYS 134 CO -0.06 0.36 0.17 0.00 -3.45 0.00 0.00 179.45 176.47 1q3r h ALA 135 N 1.64 0.56 -0.68 5.00 0.00 0.31 -2.27 119.26 123.82 1q3r h ALA 135 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1q3r h ALA 135 Cb 0.69 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1q3r h ALA 135 CO 0.05 0.17 0.32 1.96 0.00 0.00 0.00 179.25 181.75 1q3r h GLN 136 N 0.55 0.97 -0.06 0.00 1.08 -1.21 -0.64 115.11 115.81 1q3r h GLN 136 Ca 0.14 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1q3r h GLN 136 Cb 0.19 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1q3r h GLN 136 CO -0.01 0.77 -0.00 0.93 -0.95 0.00 0.00 178.83 179.57 1q3r h GLU 137 N 0.94 0.02 -0.69 1.46 5.08 -1.37 0.75 114.58 120.76 1q3r h GLU 137 Ca 0.23 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1q3r h GLU 137 Cb 0.12 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1q3r h GLU 137 CO -0.03 0.01 0.44 0.82 -1.00 0.00 0.00 179.01 179.25 1q3r h ILE 138 N 0.02 1.19 -0.37 3.13 2.04 -1.23 0.11 117.51 122.41 1q3r h ILE 138 Ca 0.03 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1q3r h ILE 138 Cb 0.03 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1q3r h ILE 138 CO -0.05 0.19 0.18 -0.07 0.00 0.00 0.00 178.15 178.40 1q3r h LEU 139 N 0.94 0.47 -1.70 1.44 3.38 -0.79 0.50 115.31 119.56 1q3r h LEU 139 Ca 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1q3r h LEU 139 Cb -0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1q3r h LEU 139 CO -0.05 0.46 -0.11 0.44 0.09 0.00 0.00 178.44 179.27 1q3r h ASP 140 N 0.46 0.05 0.19 -0.43 3.32 -0.29 -0.40 116.42 119.32 1q3r h ASP 140 Ca 0.13 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.91 1q3r h ASP 140 Cb 0.10 -0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.67 1q3r h ASP 140 CO -0.02 0.17 -1.13 -0.08 -1.72 0.00 0.00 179.24 176.46 1q3r h GLU 141 N 0.05 0.43 -0.00 3.56 4.81 0.41 -3.30 114.58 120.54 1q3r h GLU 141 Ca 0.01 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1q3r h GLU 141 Cb 0.23 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1q3r h GLU 141 CO 0.01 1.34 -0.17 0.44 -0.73 0.00 0.00 179.01 179.91 1q3r n ILE 142 N -3.93 0.00 -1.74 2.32 -5.35 0.17 -4.88 119.36 105.94 1q3r n ILE 142 Ca -0.15 -0.05 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1q3r n ILE 142 Cb 0.95 -0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.77 1q3r n ILE 142 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q3r n ALA 143 N -1.10 2.52 -2.56 -1.28 0.00 -0.17 -4.94 120.51 112.98 1q3r n ALA 143 Ca 0.12 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1q3r n ALA 143 Cb 0.30 -2.46 -0.06 0.00 0.00 0.00 0.00 19.45 17.23 1q3r n ALA 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1q3r s ILE 144 N 0.07 4.80 0.14 0.00 1.01 -0.07 -4.89 121.20 122.25 1q3r s ILE 144 Ca 0.65 0.59 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 1q3r s ILE 144 Cb -0.50 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 37.73 1q3r s ILE 144 CO 0.48 -0.44 1.10 -0.13 0.00 0.00 0.00 174.94 175.94 1q3r s ARG 145 N 2.93 4.57 0.23 2.79 0.52 -1.26 -0.68 118.95 128.04 1q3r s ARG 145 Ca 0.27 1.68 0.01 0.00 -0.52 0.00 0.00 55.73 57.17 1q3r s ARG 145 Cb -0.14 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 1q3r s ARG 145 CO 0.17 0.02 0.08 0.14 0.02 0.00 0.00 175.30 175.73 1q3r s VAL 146 N 0.12 0.52 -0.24 3.52 -7.23 0.40 -4.96 120.40 112.53 1q3r s VAL 146 Ca 0.51 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 1q3r s VAL 146 Cb -0.28 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1q3r s VAL 146 CO 0.33 -0.12 1.47 -1.81 -0.31 0.00 0.00 175.10 174.65 1q3r s ASP 147 N -3.26 6.56 0.46 4.85 1.11 -1.26 -4.63 116.67 120.49 1q3r s ASP 147 Ca 0.34 1.50 0.32 0.00 0.18 0.00 0.00 52.55 54.90 1q3r s ASP 147 Cb 0.07 -2.54 1.45 0.00 1.07 0.00 0.00 42.92 42.98 1q3r s ASP 147 CO 0.11 -1.13 1.65 -0.65 1.18 0.00 0.00 175.17 176.33 1q3r h PRO 148 N 9.89 0.10 -0.41 8.23 0.11 -1.88 0.58 132.00 148.62 1q3r h PRO 148 Ca -0.30 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.60 1q3r h PRO 148 Cb 1.13 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.10 1q3r h PRO 148 CO 1.01 0.06 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.45 1q3r n ASP 149 N -4.52 2.68 -4.61 -2.05 5.75 -1.26 -4.22 116.55 108.32 1q3r n ASP 149 Ca 0.36 -3.72 -0.43 0.00 -0.01 0.00 0.00 54.79 50.99 1q3r n ASP 149 Cb 1.44 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 40.85 1q3r n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1q3r s ASP 150 N -2.38 6.37 0.04 -1.12 3.68 0.19 -4.93 116.67 118.52 1q3r s ASP 150 Ca 0.46 1.17 -0.09 0.00 2.13 0.00 0.00 52.55 56.21 1q3r s ASP 150 Cb 0.41 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 39.31 1q3r s ASP 150 CO 0.01 -1.34 1.15 -0.33 0.13 0.00 0.00 175.17 174.79 1q3r h GLU 151 N 10.65 -0.09 -0.38 4.34 4.39 -1.94 -1.90 114.58 129.65 1q3r h GLU 151 Ca -0.29 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.47 1q3r h GLU 151 Cb 1.12 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.71 1q3r h GLU 151 CO 1.05 -0.06 -0.49 1.49 -1.16 0.00 0.00 179.01 179.83 1q3r h GLU 152 N -0.10 -0.37 0.00 2.33 4.81 -2.00 -0.84 114.58 118.41 1q3r h GLU 152 Ca 0.02 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1q3r h GLU 152 Cb 0.16 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1q3r h GLU 152 CO -0.18 -0.25 -0.13 1.79 -0.73 0.00 0.00 179.01 179.51 1q3r h THR 153 N -0.39 0.93 -0.21 0.32 1.35 -1.95 -2.01 112.91 110.95 1q3r h THR 153 Ca 0.10 -0.48 -0.04 0.00 -0.55 0.00 0.00 66.41 65.44 1q3r h THR 153 Cb 0.60 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1q3r h THR 153 CO -0.57 0.13 -0.02 -0.07 -0.25 0.00 0.00 175.52 174.74 1q3r h LEU 154 N 0.00 0.39 -1.46 3.87 4.07 -0.40 -1.79 115.31 119.99 1q3r h LEU 154 Ca -0.00 -0.33 0.05 0.00 0.08 0.00 0.00 57.88 57.68 1q3r h LEU 154 Cb 0.26 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 1q3r h LEU 154 CO 0.02 0.63 0.42 -0.07 -1.08 0.00 0.00 178.44 178.36 1q3r h LEU 155 N 0.14 0.58 -0.29 1.67 -0.00 -0.53 -0.34 115.31 116.54 1q3r h LEU 155 Ca 0.06 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.81 1q3r h LEU 155 Cb 0.44 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1q3r h LEU 155 CO 0.02 0.39 -0.31 0.11 -0.00 0.00 0.00 178.44 178.64 1q3r h LYS 156 N 0.67 0.73 0.05 1.13 1.57 -1.13 0.16 116.57 119.75 1q3r h LYS 156 Ca 0.27 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1q3r h LYS 156 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1q3r h LYS 156 CO -0.08 1.01 -0.07 0.82 -0.57 0.00 0.00 179.45 180.57 1q3r h ILE 157 N 0.48 0.84 0.59 1.86 1.08 -0.59 0.19 117.51 121.97 1q3r h ILE 157 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1q3r h ILE 157 Cb 0.89 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1q3r h ILE 157 CO 0.08 0.00 -0.45 0.00 -0.69 0.00 0.00 178.15 177.08 1q3r h ALA 158 N 0.80 -1.08 -0.96 1.87 0.00 -0.97 -0.69 119.26 118.22 1q3r h ALA 158 Ca 0.01 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1q3r h ALA 158 Cb 0.15 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1q3r h ALA 158 CO -0.03 -1.14 0.61 0.00 0.00 0.00 0.00 179.25 178.69 1q3r h ALA 159 N -0.81 1.35 -0.76 0.00 0.00 -0.60 -0.02 119.26 118.42 1q3r h ALA 159 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1q3r h ALA 159 Cb 0.85 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1q3r h ALA 159 CO 0.01 0.35 0.35 1.15 0.00 0.00 0.00 179.25 181.11 1q3r h THR 160 N 1.08 1.24 0.10 0.00 2.02 -0.39 -1.81 112.91 115.16 1q3r h THR 160 Ca 0.43 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1q3r h THR 160 Cb 0.23 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1q3r h THR 160 CO -0.19 0.30 -0.05 -1.28 0.37 0.00 0.00 175.52 174.67 1q3r h SER 161 N 1.09 -0.11 -0.00 4.18 0.87 0.34 -3.18 113.55 116.74 1q3r h SER 161 Ca 0.26 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1q3r h SER 161 Cb 0.14 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1q3r h SER 161 CO -0.03 0.17 0.00 0.40 -0.53 0.00 0.00 176.83 176.85 1q3r h ILE 162 N -0.40 0.71 -3.93 2.23 2.04 -0.81 -3.44 117.51 113.91 1q3r h ILE 162 Ca -0.01 0.00 -0.51 0.00 1.00 0.00 0.00 64.86 65.34 1q3r h ILE 162 Cb 0.34 1.00 0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1q3r h ILE 162 CO 0.02 0.00 0.52 0.28 0.00 0.00 0.00 178.15 178.97 1q3r s THR 163 N -4.80 3.11 0.00 -0.27 -1.32 -0.70 -3.33 115.64 108.33 1q3r s THR 163 Ca -0.05 0.95 0.00 0.00 -1.21 0.00 0.00 61.69 61.38 1q3r s THR 163 Cb 0.16 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.61 1q3r s THR 163 CO 0.59 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.72 1q3r n GLY 164 N 0.66 0.77 3.53 6.08 0.00 -1.26 -4.73 105.19 110.24 1q3r n GLY 164 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1q3r n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3r s LYS 165 N -0.70 1.78 0.29 1.61 1.02 -1.21 -4.70 119.74 117.83 1q3r s LYS 165 Ca 0.00 -1.92 0.04 0.00 0.02 0.00 0.00 55.97 54.10 1q3r s LYS 165 Cb 0.00 -1.61 0.67 0.00 -0.52 0.00 0.00 37.83 36.38 1q3r s LYS 165 CO 0.00 0.11 1.77 -0.97 -0.92 0.00 0.00 175.35 175.34 1q3r h ASN 166 N 2.05 0.70 0.11 2.83 -1.24 -1.91 -0.32 115.58 117.80 1q3r h ASN 166 Ca -0.42 0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1q3r h ASN 166 Cb 1.25 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1q3r h ASN 166 CO 0.70 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 177.10 1q3r n ALA 167 N -2.36 2.24 0.28 1.57 0.00 -1.26 -3.95 120.51 117.02 1q3r n ALA 167 Ca 0.21 -0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.71 1q3r n ALA 167 Cb 0.53 -1.35 0.94 0.00 0.00 0.00 0.00 19.45 19.58 1q3r n ALA 167 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1q3r h GLU 168 N 0.00 0.00 -0.73 0.00 4.11 -1.17 -1.61 114.58 115.18 1q3r h GLU 168 Ca 0.00 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.63 1q3r h GLU 168 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1q3r h GLU 168 CO 0.00 0.00 0.52 0.77 0.07 0.00 0.00 179.01 180.37 1q3r h SER 169 N 0.00 0.07 -0.70 3.06 0.02 -1.81 -1.92 113.55 112.26 1q3r h SER 169 Ca 0.04 0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.49 1q3r h SER 169 Cb 0.37 -0.01 -0.43 0.00 0.14 0.00 0.00 62.40 62.47 1q3r h SER 169 CO -0.00 0.03 -0.87 1.41 -1.14 0.00 0.00 176.83 176.26 1q3r n HIS 170 N -4.35 2.52 -0.21 3.45 8.25 -0.61 -4.86 115.22 119.40 1q3r n HIS 170 Ca 0.15 -2.21 0.09 0.00 -0.26 0.00 0.00 57.72 55.49 1q3r n HIS 170 Cb 0.75 -0.32 0.37 0.00 1.12 0.00 0.00 29.99 31.91 1q3r n HIS 170 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1q3r h LYS 171 N 2.25 0.69 0.45 -0.41 2.10 -1.41 -1.59 116.57 118.65 1q3r h LYS 171 Ca 0.29 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.88 1q3r h LYS 171 Cb 1.50 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1q3r h LYS 171 CO 0.67 0.45 -0.22 1.49 -2.00 0.00 0.00 179.45 179.84 1q3r h GLU 172 N 0.71 -0.59 -0.12 0.07 4.81 -1.89 0.60 114.58 118.16 1q3r h GLU 172 Ca 0.37 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1q3r h GLU 172 Cb 0.47 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1q3r h GLU 172 CO -0.14 -0.40 0.07 1.25 -0.73 0.00 0.00 179.01 179.07 1q3r h LEU 173 N -0.62 0.14 -0.02 1.64 5.85 -1.92 -1.31 115.31 119.08 1q3r h LEU 173 Ca -0.06 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1q3r h LEU 173 Cb 0.47 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1q3r h LEU 173 CO 0.10 0.14 0.01 -0.07 -0.34 0.00 0.00 178.44 178.28 1q3r h LEU 174 N 0.13 0.02 -0.98 2.25 3.38 -1.17 -0.68 115.31 118.26 1q3r h LEU 174 Ca 0.04 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1q3r h LEU 174 Cb 0.03 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1q3r h LEU 174 CO -0.01 0.08 0.61 0.00 0.09 0.00 0.00 178.44 179.22 1q3r h ALA 175 N 0.94 1.42 0.33 1.53 0.00 0.24 -0.41 119.26 123.30 1q3r h ALA 175 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1q3r h ALA 175 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1q3r h ALA 175 CO -0.00 0.29 -0.23 -0.22 0.00 0.00 0.00 179.25 179.09 1q3r h LYS 176 N 1.03 -0.53 -0.82 0.00 3.64 -0.62 -0.61 116.57 118.66 1q3r h LYS 176 Ca 0.46 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.91 1q3r h LYS 176 Cb 0.35 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1q3r h LYS 176 CO -0.23 -0.35 0.52 -0.07 -2.27 0.00 0.00 179.45 177.05 1q3r h LEU 177 N -0.55 0.85 0.69 5.20 3.38 -0.49 -1.41 115.31 122.98 1q3r h LEU 177 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1q3r h LEU 177 Cb 0.47 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1q3r h LEU 177 CO 0.01 0.58 -0.33 0.00 0.09 0.00 0.00 178.44 178.79 1q3r h ALA 178 N 1.35 -0.92 -0.68 1.53 0.00 -0.81 0.39 119.26 120.13 1q3r h ALA 178 Ca 0.34 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1q3r h ALA 178 Cb 0.04 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1q3r h ALA 178 CO -0.13 -1.02 0.36 0.28 0.00 0.00 0.00 179.25 178.75 1q3r h VAL 179 N -0.92 0.92 -0.20 0.00 2.07 -0.96 -1.93 116.25 115.23 1q3r h VAL 179 Ca -0.09 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1q3r h VAL 179 Cb 0.71 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1q3r h VAL 179 CO 0.15 0.12 0.07 -0.08 0.02 0.00 0.00 177.57 177.85 1q3r h GLU 180 N 0.65 0.31 0.14 1.57 4.81 -1.11 -1.53 114.58 119.43 1q3r h GLU 180 Ca 0.31 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1q3r h GLU 180 Cb 0.25 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1q3r h GLU 180 CO -0.21 0.40 -0.23 0.00 -0.73 0.00 0.00 179.01 178.23 1q3r h ALA 181 N 0.90 -0.41 0.02 2.92 0.00 -0.58 -1.73 119.26 120.38 1q3r h ALA 181 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1q3r h ALA 181 Cb 0.21 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1q3r h ALA 181 CO -0.00 -0.77 -0.10 0.28 0.00 0.00 0.00 179.25 178.65 1q3r h VAL 182 N -0.45 0.75 -0.84 0.00 2.07 -1.34 -2.45 116.25 114.00 1q3r h VAL 182 Ca 0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1q3r h VAL 182 Cb 0.46 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 1q3r h VAL 182 CO -0.11 0.00 0.39 0.11 0.02 0.00 0.00 177.57 177.98 1q3r h LYS 183 N -0.18 0.51 -0.19 1.57 1.57 -1.12 0.53 116.57 119.25 1q3r h LYS 183 Ca 0.03 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1q3r h LYS 183 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1q3r h LYS 183 CO -0.09 0.33 -0.05 0.37 -0.57 0.00 0.00 179.45 179.44 1q3r h GLN 184 N 0.52 0.36 0.00 3.15 5.75 -0.99 -3.21 115.11 120.69 1q3r h GLN 184 Ca 0.48 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1q3r h GLN 184 Cb 0.75 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1q3r h GLN 184 CO -0.42 0.63 -0.14 1.33 -2.65 0.00 0.00 178.83 177.59 1q3r n VAL 185 N -4.63 0.17 -1.90 2.39 0.24 -0.95 -4.78 118.33 108.87 1q3r n VAL 185 Ca -0.05 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.34 61.76 1q3r n VAL 185 Cb 0.28 -0.36 0.01 0.00 -1.47 0.00 0.00 33.84 32.30 1q3r n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q3r s ALA 186 N -3.04 3.26 -0.09 2.33 0.00 0.14 -4.73 121.76 119.63 1q3r s ALA 186 Ca 0.12 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1q3r s ALA 186 Cb 0.17 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1q3r s ALA 186 CO 0.59 -1.05 -0.24 -1.21 0.00 0.00 0.00 175.76 173.86 1q3r s GLU 187 N -2.35 2.97 -0.08 0.00 0.41 -0.58 -4.96 118.70 114.11 1q3r s GLU 187 Ca 0.59 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 54.31 1q3r s GLU 187 Cb -0.42 -2.27 -0.02 0.00 -1.78 0.00 0.00 34.13 29.65 1q3r s GLU 187 CO 0.54 0.20 -0.18 0.21 -0.49 0.00 0.00 175.26 175.54 1q3r s LYS 188 N 0.29 2.82 -0.09 1.61 2.20 -1.26 0.49 119.74 125.80 1q3r s LYS 188 Ca -0.17 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.59 1q3r s LYS 188 Cb -0.17 -2.38 -0.02 0.00 -1.51 0.00 0.00 37.83 33.74 1q3r s LYS 188 CO 0.08 0.39 -0.15 1.63 -0.36 0.00 0.00 175.35 176.95 1q3r n LYS 189 N 2.97 0.28 0.00 4.03 4.01 -1.15 -4.99 118.16 123.31 1q3r n LYS 189 Ca -0.18 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1q3r n LYS 189 Cb 0.52 -1.19 0.00 0.00 -0.51 0.00 0.00 35.03 33.86 1q3r n LYS 189 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1q3r n ASP 190 N -3.63 0.00 0.00 4.39 5.75 -1.26 -4.96 116.55 116.84 1q3r n ASP 190 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 1q3r n ASP 190 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1q3r n ASP 190 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q3r n GLY 191 N 3.64 -0.67 3.37 6.12 0.00 -1.26 -5.02 105.19 111.37 1q3r n GLY 191 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1q3r n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3r s LYS 192 N -0.05 2.79 0.41 1.61 -0.14 -1.26 -4.98 119.74 118.12 1q3r s LYS 192 Ca 0.00 -0.77 -0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1q3r s LYS 192 Cb 0.00 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.75 1q3r s LYS 192 CO 0.00 0.41 0.63 0.71 -0.76 0.00 0.00 175.35 176.34 1q3r s TYR 193 N -0.20 3.40 -0.01 3.18 1.51 -1.25 -2.93 117.35 121.05 1q3r s TYR 193 Ca -0.01 0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1q3r s TYR 193 Cb -0.13 -2.12 0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1q3r s TYR 193 CO 0.03 -0.12 0.03 0.54 -1.11 0.00 0.00 175.55 174.92 1q3r s VAL 194 N -2.47 -0.02 -0.04 0.71 0.11 0.18 -4.41 120.40 114.46 1q3r s VAL 194 Ca 0.44 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.62 1q3r s VAL 194 Cb -0.10 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1q3r s VAL 194 CO 0.38 0.02 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.23 1q3r s VAL 195 N 0.30 2.03 -0.45 2.04 1.01 -1.26 -1.52 120.40 122.54 1q3r s VAL 195 Ca -0.02 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1q3r s VAL 195 Cb -0.03 -1.71 0.12 0.00 0.00 0.00 0.00 36.38 34.76 1q3r s VAL 195 CO -0.01 0.57 0.23 -0.62 0.00 0.00 0.00 175.10 175.27 1q3r s ASP 196 N -0.32 5.02 0.00 3.32 -1.08 -1.26 -4.96 116.67 117.39 1q3r s ASP 196 Ca 0.01 -2.36 0.00 0.00 -0.52 0.00 0.00 52.55 49.69 1q3r s ASP 196 Cb -0.12 -1.77 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 1q3r s ASP 196 CO 0.02 -0.43 0.61 0.18 0.52 0.00 0.00 175.17 176.07 1q3r n LEU 197 N 4.09 0.00 0.02 -1.34 4.77 -1.26 -1.04 117.00 122.25 1q3r n LEU 197 Ca 0.02 0.18 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1q3r n LEU 197 Cb 0.40 -0.18 0.55 0.00 -2.33 0.00 0.00 43.42 41.86 1q3r n LEU 197 CO 0.31 -0.18 0.93 0.47 -1.33 0.00 0.00 177.39 177.59 1q3r n ASP 198 N -1.11 0.19 -0.49 -1.43 8.00 -1.26 -2.82 116.55 117.63 1q3r n ASP 198 Ca 0.00 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.15 1q3r n ASP 198 Cb 0.05 -0.57 0.42 0.00 -0.02 0.00 0.00 41.12 41.00 1q3r n ASP 198 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1q3r n ASN 199 N -1.68 1.60 -4.15 -2.24 3.02 -0.21 -4.66 115.26 106.94 1q3r n ASN 199 Ca 0.06 -1.42 -0.35 0.00 -0.03 0.00 0.00 54.58 52.84 1q3r n ASN 199 Cb 0.35 0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.44 1q3r n ASN 199 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1q3r s ILE 200 N -2.13 3.09 0.22 2.41 1.01 -1.13 -0.44 121.20 124.24 1q3r s ILE 200 Ca 0.33 -1.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 1q3r s ILE 200 Cb 0.20 -2.92 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 1q3r s ILE 200 CO 0.38 -0.34 0.60 -0.75 0.00 0.00 0.00 174.94 174.83 1q3r s LYS 201 N 1.20 3.94 -0.23 2.79 2.20 -0.15 -4.96 119.74 124.53 1q3r s LYS 201 Ca 0.01 0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1q3r s LYS 201 Cb -0.21 -2.70 0.03 0.00 -1.51 0.00 0.00 37.83 33.44 1q3r s LYS 201 CO -0.02 0.34 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.14 1q3r s PHE 202 N -1.72 3.02 -0.14 4.03 0.40 -1.26 -0.70 117.98 121.60 1q3r s PHE 202 Ca 0.46 -1.67 -0.01 0.00 -0.60 0.00 0.00 56.93 55.11 1q3r s PHE 202 Cb -0.13 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 1q3r s PHE 202 CO 0.20 -0.76 -0.11 -1.21 0.70 0.00 0.00 175.22 174.04 1q3r s GLU 203 N 1.29 3.44 -0.05 0.44 0.41 -0.95 -4.99 118.70 118.29 1q3r s GLU 203 Ca 0.00 -0.65 0.03 0.00 -0.41 0.00 0.00 54.97 53.95 1q3r s GLU 203 Cb -0.16 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 1q3r s GLU 203 CO -0.07 0.18 -0.15 -1.59 -0.49 0.00 0.00 175.26 173.15 1q3r s LYS 204 N 0.45 1.73 -0.08 1.61 -2.85 -1.26 0.13 119.74 119.46 1q3r s LYS 204 Ca -0.08 -0.51 -0.03 0.00 -1.00 0.00 0.00 55.97 54.34 1q3r s LYS 204 Cb -0.15 -1.46 0.05 0.00 -2.06 0.00 0.00 37.83 34.20 1q3r s LYS 204 CO 0.04 0.14 0.12 0.15 0.10 0.00 0.00 175.35 175.91 1q3r s LYS 205 N 0.31 0.01 0.69 1.78 -0.14 -0.70 -4.97 119.74 116.72 1q3r s LYS 205 Ca -0.09 0.42 -0.17 0.00 -1.36 0.00 0.00 55.97 54.78 1q3r s LYS 205 Cb -0.13 -0.56 -0.00 0.00 -1.68 0.00 0.00 37.83 35.46 1q3r s LYS 205 CO 0.03 -0.37 1.04 0.00 -0.76 0.00 0.00 175.35 175.29 1q3r n ALA 206 N 5.31 0.12 0.00 5.17 0.00 -1.26 -3.96 120.51 125.89 1q3r n ALA 206 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1q3r n ALA 206 Cb 0.50 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1q3r n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 207 N 1.07 3.81 7.00 0.00 0.00 0.13 -4.57 105.19 112.63 1q3r n GLY 207 Ca 0.14 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1q3r n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q3r n GLU 208 N -1.36 0.00 -4.02 1.61 -0.58 -1.26 -2.27 120.64 112.76 1q3r n GLU 208 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1q3r n GLU 208 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 1q3r n GLU 208 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q3r n GLY 209 N 0.00 3.56 0.23 0.62 0.00 -1.26 -2.60 105.19 105.75 1q3r n GLY 209 Ca 0.00 -2.22 0.11 0.00 0.00 0.00 0.00 46.02 43.92 1q3r n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q3r h VAL 210 N 1.36 0.49 -0.08 1.61 2.07 -1.89 -2.74 116.25 117.07 1q3r h VAL 210 Ca -0.30 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.27 1q3r h VAL 210 Cb 0.99 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1q3r h VAL 210 CO 0.48 0.18 0.06 -0.33 0.02 0.00 0.00 177.57 177.98 1q3r h GLU 211 N 0.00 0.03 0.00 1.57 4.39 -1.96 -1.62 114.58 117.00 1q3r h GLU 211 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1q3r h GLU 211 Cb 0.66 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1q3r h GLU 211 CO 0.02 0.02 0.00 0.39 -1.16 0.00 0.00 179.01 178.29 1q3r n GLU 212 N -4.52 0.05 -0.77 2.33 4.71 -1.04 -4.88 120.64 116.53 1q3r n GLU 212 Ca -0.01 0.11 -0.33 0.00 -0.01 0.00 0.00 57.16 56.92 1q3r n GLU 212 Cb 0.14 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.20 1q3r n GLU 212 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1q3r n SER 213 N -1.47 -1.72 -3.64 1.62 7.64 -0.61 -4.81 113.62 110.64 1q3r n SER 213 Ca 0.06 0.33 -0.05 0.00 1.01 0.00 0.00 58.87 60.22 1q3r n SER 213 Cb 0.25 -1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 1q3r n SER 213 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1q3r s GLU 214 N -3.79 0.95 -0.14 1.43 -1.05 -0.30 -4.97 118.70 110.81 1q3r s GLU 214 Ca 0.58 -0.46 -0.07 0.00 -0.15 0.00 0.00 54.97 54.88 1q3r s GLU 214 Cb -0.21 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1q3r s GLU 214 CO 0.66 -0.43 0.10 -1.17 0.95 0.00 0.00 175.26 175.38 1q3r s LEU 215 N -2.73 4.12 -0.25 1.83 2.96 -1.26 -0.42 118.68 122.93 1q3r s LEU 215 Ca 0.09 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1q3r s LEU 215 Cb -0.01 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.71 1q3r s LEU 215 CO -0.03 0.31 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.55 1q3r s VAL 216 N -0.46 2.63 -1.14 1.68 1.01 0.27 -4.96 120.40 119.43 1q3r s VAL 216 Ca 0.11 -1.24 -0.19 0.00 0.00 0.00 0.00 61.98 60.66 1q3r s VAL 216 Cb -0.12 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1q3r s VAL 216 CO 0.02 0.12 2.01 0.54 0.00 0.00 0.00 175.10 177.79 1q3r n ARG 217 N 4.59 2.21 0.00 2.72 1.74 -1.26 -1.79 116.66 124.88 1q3r n ARG 217 Ca -0.16 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.55 1q3r n ARG 217 Cb 0.45 -3.22 0.00 0.00 -1.02 0.00 0.00 32.46 28.67 1q3r n ARG 217 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q3r n GLY 218 N 4.64 -0.63 3.10 -0.13 0.00 -1.25 -2.14 105.19 108.77 1q3r n GLY 218 Ca 0.50 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1q3r n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q3r s VAL 219 N -4.00 0.69 -0.26 1.61 1.01 0.11 -3.04 120.40 116.51 1q3r s VAL 219 Ca 0.00 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1q3r s VAL 219 Cb 0.00 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.58 1q3r s VAL 219 CO 0.00 -0.42 -0.08 -0.69 0.00 0.00 0.00 175.10 173.91 1q3r s VAL 220 N -1.68 1.98 -0.15 2.92 1.01 -1.26 -0.33 120.40 122.89 1q3r s VAL 220 Ca -0.05 -1.55 -0.06 0.00 0.00 0.00 0.00 61.98 60.32 1q3r s VAL 220 Cb -0.08 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1q3r s VAL 220 CO 0.00 -0.09 0.06 -0.63 0.00 0.00 0.00 175.10 174.45 1q3r s ILE 221 N 1.18 4.80 -1.35 2.22 1.09 -0.48 -4.95 121.20 123.70 1q3r s ILE 221 Ca -0.07 -0.04 -0.11 0.00 -1.10 0.00 0.00 60.65 59.33 1q3r s ILE 221 Cb -0.20 -3.11 0.11 0.00 -1.06 0.00 0.00 42.46 38.21 1q3r s ILE 221 CO -0.06 0.53 2.06 -0.67 -0.10 0.00 0.00 174.94 176.70 1q3r n ASP 222 N 2.88 5.00 -3.13 3.58 2.03 -1.26 -0.41 116.55 125.24 1q3r n ASP 222 Ca -0.18 -3.01 -0.18 0.00 0.52 0.00 0.00 54.79 51.95 1q3r n ASP 222 Cb 0.53 -1.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.34 1q3r n ASP 222 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1q3r n LYS 223 N 4.43 0.51 -4.45 -0.67 4.76 -1.26 -4.99 118.16 116.49 1q3r n LYS 223 Ca 0.46 -3.11 -0.22 0.00 -2.87 0.00 0.00 58.31 52.57 1q3r n LYS 223 Cb 0.36 2.69 -0.10 0.00 -1.84 0.00 0.00 35.03 36.14 1q3r n LYS 223 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1q3r s GLU 224 N -3.15 1.61 -0.18 1.97 2.02 -1.26 -3.63 118.70 116.08 1q3r s GLU 224 Ca 0.36 -1.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 1q3r s GLU 224 Cb 0.01 -1.17 -0.01 0.00 0.10 0.00 0.00 34.13 33.06 1q3r s GLU 224 CO 0.25 -0.00 1.27 0.08 0.02 0.00 0.00 175.26 176.89 1q3r s VAL 225 N -3.02 4.25 0.45 2.63 1.01 -1.26 -4.60 120.40 119.87 1q3r s VAL 225 Ca 0.31 1.51 0.20 0.00 0.00 0.00 0.00 61.98 64.00 1q3r s VAL 225 Cb 0.05 -4.01 0.39 0.00 0.00 0.00 0.00 36.38 32.81 1q3r s VAL 225 CO 0.13 -0.17 1.89 1.62 0.00 0.00 0.00 175.10 178.57 1q3r h VAL 226 N 5.55 0.70 -4.20 2.92 3.04 -1.31 -3.43 116.25 119.52 1q3r h VAL 226 Ca -0.27 -0.11 -0.69 0.00 -1.01 0.00 0.00 66.70 64.63 1q3r h VAL 226 Cb 1.10 0.36 -0.25 0.00 -2.01 0.00 0.00 31.29 30.49 1q3r h VAL 226 CO 0.98 0.06 -0.83 -2.28 -1.01 0.00 0.00 177.57 174.48 1q3r s HIS 227 N -5.32 2.48 0.29 3.17 2.46 -1.26 -5.04 115.29 112.07 1q3r s HIS 227 Ca -0.07 -0.31 -0.02 0.00 0.47 0.00 0.00 55.06 55.12 1q3r s HIS 227 Cb 0.22 -1.49 0.41 0.00 -0.13 0.00 0.00 32.58 31.59 1q3r s HIS 227 CO 0.77 0.14 1.91 -1.35 -2.47 0.00 0.00 174.74 173.75 1q3r h PRO 228 N 4.97 1.02 -0.04 2.88 0.11 -1.99 -2.69 132.00 136.26 1q3r h PRO 228 Ca -0.46 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1q3r h PRO 228 Cb 1.14 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1q3r h PRO 228 CO 0.47 0.75 0.00 -2.13 -0.21 0.00 0.00 178.00 176.88 1q3r n ARG 229 N -4.36 1.24 -2.43 1.05 0.63 -1.26 -4.88 116.66 106.65 1q3r n ARG 229 Ca 0.08 -0.36 -0.30 0.00 -0.92 0.00 0.00 57.85 56.34 1q3r n ARG 229 Cb 0.09 -1.38 -0.02 0.00 0.45 0.00 0.00 32.46 31.61 1q3r n ARG 229 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1q3r s MET 230 N -1.95 3.73 0.34 -0.14 -1.94 -1.02 -4.91 119.30 113.41 1q3r s MET 230 Ca 0.35 0.62 -0.29 0.00 -1.71 0.00 0.00 55.69 54.66 1q3r s MET 230 Cb 0.17 -2.24 -0.10 0.00 2.01 0.00 0.00 34.83 34.67 1q3r s MET 230 CO 0.28 -0.27 1.36 -2.14 -0.01 0.00 0.00 175.02 174.23 1q3r s PRO 231 N -4.43 4.29 0.00 2.03 0.02 -1.26 -4.91 135.00 130.74 1q3r s PRO 231 Ca 0.53 2.32 0.25 0.00 0.02 0.00 0.00 61.00 64.12 1q3r s PRO 231 Cb -0.10 -3.05 0.43 0.00 0.02 0.00 0.00 34.50 31.80 1q3r s PRO 231 CO 0.40 -0.29 1.36 1.63 -0.33 0.00 0.00 177.00 179.77 1q3r n LYS 232 N 0.80 0.69 -3.69 5.54 4.76 -1.26 -4.71 118.16 120.29 1q3r n LYS 232 Ca 0.01 -0.47 -0.10 0.00 -2.87 0.00 0.00 58.31 54.87 1q3r n LYS 232 Cb 0.41 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 1q3r n LYS 232 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1q3r s ARG 233 N -2.63 0.45 -0.05 1.97 3.52 -1.26 -1.32 118.95 119.63 1q3r s ARG 233 Ca 0.19 0.85 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 1q3r s ARG 233 Cb 0.18 0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1q3r s ARG 233 CO 0.60 -0.15 -0.07 0.08 -0.81 0.00 0.00 175.30 174.95 1q3r s VAL 234 N 1.35 0.69 -0.02 7.11 1.01 0.05 -5.00 120.40 125.60 1q3r s VAL 234 Ca -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1q3r s VAL 234 Cb -0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1q3r s VAL 234 CO -0.13 0.26 0.06 -1.61 0.00 0.00 0.00 175.10 173.68 1q3r s GLU 235 N 0.79 3.03 -1.28 2.72 2.02 -1.26 -1.01 118.70 123.71 1q3r s GLU 235 Ca -0.12 -0.48 -0.07 0.00 0.02 0.00 0.00 54.97 54.32 1q3r s GLU 235 Cb -0.15 -2.84 -0.00 0.00 0.10 0.00 0.00 34.13 31.24 1q3r s GLU 235 CO 0.01 0.65 0.63 0.09 0.02 0.00 0.00 175.26 176.66 1q3r n ASN 236 N 1.33 -2.28 -4.77 -0.19 3.02 -0.66 -4.88 115.26 106.83 1q3r n ASN 236 Ca -0.14 -0.95 -0.38 0.00 -0.03 0.00 0.00 54.58 53.07 1q3r n ASN 236 Cb 0.53 -3.48 -0.04 0.00 -0.61 0.00 0.00 39.78 36.18 1q3r n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q3r s ALA 237 N -3.71 3.21 -0.38 5.41 0.00 -0.60 -4.94 121.76 120.76 1q3r s ALA 237 Ca 0.16 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 1q3r s ALA 237 Cb -0.06 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.80 1q3r s ALA 237 CO 0.86 -0.27 0.20 0.15 0.00 0.00 0.00 175.76 176.69 1q3r s LYS 238 N -2.08 2.68 -0.14 0.00 1.02 -1.26 -2.99 119.74 116.96 1q3r s LYS 238 Ca 0.53 -1.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.13 1q3r s LYS 238 Cb -0.28 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.31 1q3r s LYS 238 CO 0.35 -0.79 0.30 0.42 -0.92 0.00 0.00 175.35 174.71 1q3r s ILE 239 N 1.46 5.29 -0.13 2.17 1.01 0.75 -2.01 121.20 129.73 1q3r s ILE 239 Ca 0.01 0.57 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 1q3r s ILE 239 Cb -0.21 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1q3r s ILE 239 CO 0.04 0.41 -0.04 0.00 0.00 0.00 0.00 174.94 175.35 1q3r s ALA 240 N 0.28 3.00 -0.31 9.38 0.00 -0.46 -0.07 121.76 133.58 1q3r s ALA 240 Ca 0.17 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1q3r s ALA 240 Cb -0.13 -1.48 0.06 0.00 0.00 0.00 0.00 23.12 21.57 1q3r s ALA 240 CO 0.05 0.31 0.01 -0.51 0.00 0.00 0.00 175.76 175.61 1q3r s LEU 241 N 0.06 4.03 0.03 0.00 1.02 -1.26 -0.98 118.68 121.58 1q3r s LEU 241 Ca -0.00 -1.45 0.08 0.00 0.02 0.00 0.00 54.13 52.77 1q3r s LEU 241 Cb -0.14 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1q3r s LEU 241 CO 0.03 -0.29 -0.21 -0.63 0.02 0.00 0.00 176.35 175.27 1q3r s ILE 242 N 1.19 2.56 -0.03 -0.59 -1.09 -0.41 -0.92 121.20 121.90 1q3r s ILE 242 Ca -0.03 -1.21 0.11 0.00 -2.23 0.00 0.00 60.65 57.29 1q3r s ILE 242 Cb -0.20 -2.04 -0.16 0.00 -1.58 0.00 0.00 42.46 38.48 1q3r s ILE 242 CO -0.03 0.38 0.20 -0.46 -1.23 0.00 0.00 174.94 173.81 1q3r n ASN 243 N 1.74 2.52 -4.76 3.58 0.23 -0.96 -0.26 115.26 117.34 1q3r n ASN 243 Ca -0.16 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.48 1q3r n ASN 243 Cb 0.52 1.37 -0.03 0.00 -2.08 0.00 0.00 39.78 39.56 1q3r n ASN 243 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1q3r s GLU 244 N -2.67 4.52 0.38 -3.83 2.12 -1.11 -2.24 118.70 115.87 1q3r s GLU 244 Ca -0.04 1.96 -0.26 0.00 0.36 0.00 0.00 54.97 56.99 1q3r s GLU 244 Cb 0.06 -3.13 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 1q3r s GLU 244 CO 0.45 0.05 1.15 0.00 -0.54 0.00 0.00 175.26 176.37 1q3r s ALA 245 N -1.16 3.21 -1.20 6.30 0.00 -1.26 -4.59 121.76 123.05 1q3r s ALA 245 Ca 0.46 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 1q3r s ALA 245 Cb -0.35 -3.37 0.19 0.00 0.00 0.00 0.00 23.12 19.60 1q3r s ALA 245 CO 0.45 -0.44 1.45 1.28 0.00 0.00 0.00 175.76 178.50 1q3r n LEU 246 N 0.28 5.49 0.00 0.00 4.32 -0.25 -4.89 117.00 121.94 1q3r n LEU 246 Ca 0.03 -4.60 -0.14 0.00 -0.02 0.00 0.00 56.01 51.29 1q3r n LEU 246 Cb 0.46 -1.57 -0.05 0.00 -1.62 0.00 0.00 43.42 40.64 1q3r n LEU 246 CO 0.51 0.94 -0.06 -0.62 -1.22 0.00 0.00 177.39 176.93 1q3r n GLU 247 N 4.82 0.29 -2.53 3.23 1.02 -1.26 -1.15 120.64 125.06 1q3r n GLU 247 Ca 0.35 -2.34 -0.43 0.00 -0.02 0.00 0.00 57.16 54.72 1q3r n GLU 247 Cb 0.41 1.93 -0.02 0.00 -0.02 0.00 0.00 31.44 33.74 1q3r n GLU 247 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1q3r s VAL 248 N -2.95 4.33 0.56 2.62 1.01 -1.26 -4.86 120.40 119.86 1q3r s VAL 248 Ca 0.28 1.53 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 1q3r s VAL 248 Cb 0.01 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1q3r s VAL 248 CO 0.20 -0.47 1.13 -0.54 0.00 0.00 0.00 175.10 175.42 1q3r s LYS 249 N 3.88 3.25 0.09 2.72 1.02 -1.26 -5.07 119.74 124.37 1q3r s LYS 249 Ca 0.51 1.59 0.06 0.00 0.02 0.00 0.00 55.97 58.14 1q3r s LYS 249 Cb -0.15 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1q3r s LYS 249 CO 0.19 -0.93 -0.16 0.15 -0.92 0.00 0.00 175.35 173.68 1q3r s LYS 250 N -3.41 0.94 0.63 1.68 1.02 -1.26 -5.14 119.74 114.20 1q3r s LYS 250 Ca 0.72 -1.08 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 1q3r s LYS 250 Cb -0.24 -0.98 -0.02 0.00 -0.52 0.00 0.00 37.83 36.08 1q3r s LYS 250 CO 0.29 0.21 1.07 0.95 -0.92 0.00 0.00 175.35 176.95 1q3r s THR 251 N -1.48 3.73 0.18 2.17 -4.23 -1.26 -4.93 115.64 109.81 1q3r s THR 251 Ca 0.03 0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 61.24 1q3r s THR 251 Cb -0.09 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 1q3r s THR 251 CO 0.03 -0.53 1.54 -0.08 -0.54 0.00 0.00 174.62 175.04 1q3r h GLU 252 N 0.15 0.80 -6.69 3.99 4.57 -2.04 -3.42 114.58 111.94 1q3r h GLU 252 Ca -0.46 -0.40 -0.52 0.00 -1.18 0.00 0.00 59.36 56.80 1q3r h GLU 252 Cb 1.22 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.83 1q3r h GLU 252 CO 0.57 1.03 0.55 0.99 -1.18 0.00 0.00 179.01 180.96 1q3r s THR 253 N -4.40 3.52 0.31 0.32 2.01 -1.26 -4.95 115.64 111.19 1q3r s THR 253 Ca -0.10 1.32 -0.29 0.00 0.31 0.00 0.00 61.69 62.93 1q3r s THR 253 Cb 0.12 -3.84 -0.12 0.00 0.01 0.00 0.00 72.50 68.66 1q3r s THR 253 CO 0.86 0.23 1.42 0.47 -0.69 0.00 0.00 174.62 176.91 1q3r n ASP 254 N 2.25 3.16 -3.93 3.53 10.43 -1.26 -4.99 116.55 125.73 1q3r n ASP 254 Ca 0.03 1.18 -0.09 0.00 2.57 0.00 0.00 54.79 58.48 1q3r n ASP 254 Cb 0.45 -1.51 -0.07 0.00 1.84 0.00 0.00 41.12 41.82 1q3r n ASP 254 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1q3r s ALA 255 N -0.56 -0.01 -0.23 2.24 0.00 -1.26 -5.09 121.76 116.85 1q3r s ALA 255 Ca 0.61 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 1q3r s ALA 255 Cb -0.56 0.66 0.07 0.00 0.00 0.00 0.00 23.12 23.28 1q3r s ALA 255 CO 0.56 -0.56 0.68 0.21 0.00 0.00 0.00 175.76 176.65 1q3r s LYS 256 N -3.92 0.84 -0.08 0.00 2.20 -1.26 -5.10 119.74 112.42 1q3r s LYS 256 Ca 0.12 0.84 -0.24 0.00 -0.36 0.00 0.00 55.97 56.33 1q3r s LYS 256 Cb 0.05 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.74 1q3r s LYS 256 CO -0.05 -0.13 0.74 0.42 -0.36 0.00 0.00 175.35 175.96 1q3r s ILE 257 N 0.12 5.01 -0.61 5.43 1.01 -1.26 -5.02 121.20 125.89 1q3r s ILE 257 Ca -0.02 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 62.03 1q3r s ILE 257 Cb -0.04 -4.07 0.16 0.00 0.01 0.00 0.00 42.46 38.51 1q3r s ILE 257 CO 0.02 0.21 0.52 0.20 0.00 0.00 0.00 174.94 175.90 1q3r s ASN 258 N 0.87 6.08 0.03 3.58 0.01 -1.26 -5.05 114.94 119.20 1q3r s ASN 258 Ca 0.39 -2.23 -0.30 0.00 -0.71 0.00 0.00 52.86 50.01 1q3r s ASN 258 Cb -0.18 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1q3r s ASN 258 CO 0.18 -0.66 0.98 -0.63 -1.51 0.00 0.00 177.10 175.46 1q3r s ILE 259 N 0.89 4.74 0.00 0.60 1.01 -1.26 -4.93 121.20 122.25 1q3r s ILE 259 Ca 0.10 2.05 0.00 0.00 0.00 0.00 0.00 60.65 62.80 1q3r s ILE 259 Cb -0.22 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1q3r s ILE 259 CO -0.02 0.20 0.27 0.35 0.00 0.00 0.00 174.94 175.74 1q3r n THR 260 N 3.58 0.06 -3.74 2.92 -2.24 -1.26 -5.07 114.28 108.53 1q3r n THR 260 Ca 0.05 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1q3r n THR 260 Cb 0.50 1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 70.13 1q3r n THR 260 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1q3r s SER 261 N -0.06 -0.34 0.53 3.42 1.04 -1.26 -5.04 113.70 111.99 1q3r s SER 261 Ca 0.00 0.54 0.22 0.00 0.48 0.00 0.00 55.95 57.19 1q3r s SER 261 Cb 0.00 0.62 1.39 0.00 0.10 0.00 0.00 66.02 68.12 1q3r s SER 261 CO 0.00 -0.26 2.09 -0.65 0.98 0.00 0.00 173.24 175.40 1q3r h PRO 262 N 4.89 0.00 0.00 4.02 0.11 -2.03 -1.68 132.00 137.30 1q3r h PRO 262 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1q3r h PRO 262 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1q3r h PRO 262 CO 0.31 0.00 -0.03 0.38 -0.21 0.00 0.00 178.00 178.45 1q3r h ASP 263 N 0.00 0.00 0.76 -2.05 3.04 -2.02 -2.34 116.42 113.81 1q3r h ASP 263 Ca 0.11 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.70 1q3r h ASP 263 Cb 0.47 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.74 1q3r h ASP 263 CO -0.00 0.03 -0.94 1.56 -2.04 0.00 0.00 179.24 177.85 1q3r h GLN 264 N 0.00 0.10 -0.97 4.15 4.20 -1.72 -1.29 115.11 119.59 1q3r h GLN 264 Ca -0.00 -0.13 0.24 0.00 0.06 0.00 0.00 58.65 58.82 1q3r h GLN 264 Cb 0.12 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 1q3r h GLN 264 CO 0.00 0.96 0.64 -0.07 -0.67 0.00 0.00 178.83 179.70 1q3r h LEU 265 N 0.05 0.36 0.08 1.46 3.38 -1.54 0.22 115.31 119.32 1q3r h LEU 265 Ca -0.04 0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 1q3r h LEU 265 Cb 1.61 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1q3r h LEU 265 CO 0.13 0.11 -1.56 0.24 0.09 0.00 0.00 178.44 177.45 1q3r h MET 266 N 0.35 0.17 -0.65 1.13 2.86 -1.68 -3.26 114.93 113.84 1q3r h MET 266 Ca 0.52 -0.28 0.12 0.00 -2.06 0.00 0.00 59.70 57.99 1q3r h MET 266 Cb 1.40 0.11 -0.12 0.00 0.06 0.00 0.00 31.60 33.04 1q3r h MET 266 CO -0.19 1.14 -0.29 1.03 1.06 0.00 0.00 176.91 179.66 1q3r h SER 267 N -0.41 -1.01 0.22 1.22 0.87 0.02 -0.01 113.55 114.44 1q3r h SER 267 Ca -0.36 0.23 -0.23 0.00 -1.23 0.00 0.00 61.79 60.20 1q3r h SER 267 Cb 1.70 0.54 0.01 0.00 -0.44 0.00 0.00 62.40 64.21 1q3r h SER 267 CO -0.02 -0.28 -0.92 -0.26 -0.53 0.00 0.00 176.83 174.81 1q3r h PHE 268 N -0.10 0.73 0.11 2.24 -1.00 -1.20 -2.85 116.94 114.86 1q3r h PHE 268 Ca 0.28 -0.38 0.01 0.00 2.81 0.00 0.00 57.97 60.69 1q3r h PHE 268 Cb 0.55 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 1q3r h PHE 268 CO -0.63 1.20 -0.21 1.25 -1.61 0.00 0.00 178.31 178.31 1q3r h LEU 269 N 0.29 -0.57 -2.10 1.54 5.85 -1.42 -1.19 115.31 117.71 1q3r h LEU 269 Ca -0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1q3r h LEU 269 Cb 1.56 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 1q3r h LEU 269 CO 0.17 -0.29 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.57 1q3r h GLU 270 N -0.39 0.00 -0.46 1.25 5.08 -1.09 -2.26 114.58 116.71 1q3r h GLU 270 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1q3r h GLU 270 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1q3r h GLU 270 CO -0.11 0.08 -0.11 0.37 -1.00 0.00 0.00 179.01 178.24 1q3r h GLN 271 N 0.00 0.88 0.00 2.33 5.75 -0.99 -1.52 115.11 121.56 1q3r h GLN 271 Ca -0.00 -0.34 -0.11 0.00 -0.15 0.00 0.00 58.65 58.05 1q3r h GLN 271 Cb 0.23 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1q3r h GLN 271 CO 0.01 0.98 -0.53 0.93 -2.65 0.00 0.00 178.83 177.57 1q3r h GLU 272 N 0.72 0.00 -0.26 1.69 5.08 -0.82 -1.91 114.58 119.08 1q3r h GLU 272 Ca 0.12 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1q3r h GLU 272 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1q3r h GLU 272 CO 0.04 0.53 -0.13 0.93 -1.00 0.00 0.00 179.01 179.38 1q3r h GLU 273 N 0.00 0.55 -0.26 2.33 5.08 -1.23 -1.76 114.58 119.30 1q3r h GLU 273 Ca -0.01 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1q3r h GLU 273 Cb 0.95 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1q3r h GLU 273 CO 0.07 0.81 0.14 -0.22 -1.00 0.00 0.00 179.01 178.80 1q3r h LYS 274 N 0.28 0.28 -0.45 2.33 3.64 -1.12 0.30 116.57 121.84 1q3r h LYS 274 Ca 0.06 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1q3r h LYS 274 Cb 0.64 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 1q3r h LYS 274 CO 0.04 0.19 0.05 0.52 -2.27 0.00 0.00 179.45 177.98 1q3r h MET 275 N 0.29 0.17 0.36 1.90 2.86 -1.25 0.55 114.93 119.81 1q3r h MET 275 Ca 0.10 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1q3r h MET 275 Cb 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1q3r h MET 275 CO -0.06 0.11 -0.17 1.25 1.06 0.00 0.00 176.91 179.10 1q3r h LEU 276 N 0.18 -0.41 -0.88 1.22 5.85 -0.73 -2.27 115.31 118.28 1q3r h LEU 276 Ca 0.23 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1q3r h LEU 276 Cb 0.31 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 1q3r h LEU 276 CO -0.33 -0.19 0.51 0.50 -0.34 0.00 0.00 178.44 178.59 1q3r h LYS 277 N -0.61 0.79 -0.60 1.25 3.64 0.26 -1.56 116.57 119.74 1q3r h LYS 277 Ca -0.05 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1q3r h LYS 277 Cb 0.44 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1q3r h LYS 277 CO 0.08 0.52 0.36 -0.44 -2.27 0.00 0.00 179.45 177.70 1q3r h ASP 278 N 0.81 0.58 0.30 4.20 3.32 0.27 0.17 116.42 126.06 1q3r h ASP 278 Ca 0.44 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 1q3r h ASP 278 Cb 0.45 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1q3r h ASP 278 CO -0.27 0.40 -0.42 0.24 -1.72 0.00 0.00 179.24 177.46 1q3r h MET 279 N 0.70 -0.72 -0.49 3.56 2.86 -0.70 0.25 114.93 120.40 1q3r h MET 279 Ca 0.25 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 58.03 1q3r h MET 279 Cb 0.05 0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.79 1q3r h MET 279 CO -0.12 -0.48 -0.03 0.28 1.06 0.00 0.00 176.91 177.62 1q3r h VAL 280 N -0.75 0.59 -0.48 -2.22 2.07 -1.20 -1.29 116.25 112.97 1q3r h VAL 280 Ca -0.03 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1q3r h VAL 280 Cb 0.68 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1q3r h VAL 280 CO -0.12 0.01 0.05 0.44 0.02 0.00 0.00 177.57 177.97 1q3r h ASP 281 N 0.08 -0.10 -0.83 0.57 5.19 -0.24 -0.76 116.42 120.33 1q3r h ASP 281 Ca 0.24 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.77 1q3r h ASP 281 Cb 0.37 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 1q3r h ASP 281 CO -0.43 -0.02 0.54 -0.74 -3.12 0.00 0.00 179.24 175.47 1q3r h HIS 282 N 0.17 1.02 0.24 4.55 2.76 0.63 0.20 115.15 124.72 1q3r h HIS 282 Ca 0.24 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1q3r h HIS 282 Cb 0.35 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1q3r h HIS 282 CO -0.26 0.62 -0.12 0.82 -1.30 0.00 0.00 177.93 177.69 1q3r h ILE 283 N 1.08 0.78 -0.68 6.26 2.04 -0.70 -2.26 117.51 124.03 1q3r h ILE 283 Ca 0.32 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 66.25 1q3r h ILE 283 Cb -0.07 0.81 -0.10 0.00 -0.74 0.00 0.00 36.82 36.73 1q3r h ILE 283 CO -0.09 0.01 0.18 0.00 0.00 0.00 0.00 178.15 178.26 1q3r h ALA 284 N 0.40 0.86 -0.18 1.87 0.00 -0.69 0.65 119.26 122.18 1q3r h ALA 284 Ca -0.03 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1q3r h ALA 284 Cb 0.27 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1q3r h ALA 284 CO 0.05 -0.29 0.33 1.96 0.00 0.00 0.00 179.25 181.31 1q3r h GLN 285 N 0.31 0.00 0.00 0.00 7.50 -0.01 0.05 115.11 122.96 1q3r h GLN 285 Ca 0.37 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.52 1q3r h GLN 285 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 1q3r h GLN 285 CO -0.44 0.00 -0.05 0.25 -1.50 0.00 0.00 178.83 177.10 1q3r n THR 286 N -3.35 0.50 -0.23 -0.54 -2.24 0.22 -4.90 114.28 103.74 1q3r n THR 286 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1q3r n THR 286 Cb 0.44 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1q3r n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q3r n GLY 287 N 1.34 0.66 3.76 3.38 0.00 0.01 -4.49 105.19 109.84 1q3r n GLY 287 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1q3r n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r s ALA 288 N -2.39 3.51 0.00 4.61 0.00 -1.26 -4.77 121.76 121.46 1q3r s ALA 288 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1q3r s ALA 288 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1q3r s ALA 288 CO 0.00 -0.62 0.48 0.27 0.00 0.00 0.00 175.76 175.89 1q3r n ASN 289 N 1.08 0.95 -3.82 0.00 0.23 -0.85 -4.74 115.26 108.11 1q3r n ASN 289 Ca 0.01 -1.07 -0.13 0.00 -0.53 0.00 0.00 54.58 52.86 1q3r n ASN 289 Cb 0.42 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.98 1q3r n ASN 289 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1q3r s VAL 290 N -0.07 -0.02 -0.06 3.53 1.01 -1.16 -0.68 120.40 122.95 1q3r s VAL 290 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1q3r s VAL 290 Cb 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 36.38 36.31 1q3r s VAL 290 CO 0.00 0.03 0.10 -0.69 0.00 0.00 0.00 175.10 174.54 1q3r s VAL 291 N 0.45 -0.17 -0.27 2.92 1.01 0.39 -1.36 120.40 123.37 1q3r s VAL 291 Ca -0.03 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 1q3r s VAL 291 Cb -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1q3r s VAL 291 CO -0.02 0.16 0.14 -0.36 0.00 0.00 0.00 175.10 175.03 1q3r s PHE 292 N 2.18 3.16 -0.14 5.22 0.40 -0.15 -1.50 117.98 127.16 1q3r s PHE 292 Ca 0.04 -0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1q3r s PHE 292 Cb -0.12 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 1q3r s PHE 292 CO -0.04 -0.25 -0.01 0.08 0.70 0.00 0.00 175.22 175.70 1q3r s VAL 293 N 1.70 4.15 -0.02 -0.44 1.01 0.39 -1.29 120.40 125.90 1q3r s VAL 293 Ca 0.07 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 1q3r s VAL 293 Cb -0.16 -2.80 -0.16 0.00 0.00 0.00 0.00 36.38 33.26 1q3r s VAL 293 CO 0.08 0.52 1.05 -0.61 0.00 0.00 0.00 175.10 176.14 1q3r h GLN 294 N 6.20 -0.32 0.00 2.72 4.15 -0.75 -2.45 115.11 124.66 1q3r h GLN 294 Ca -0.38 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1q3r h GLN 294 Cb 1.19 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1q3r h GLN 294 CO 0.61 0.05 0.00 1.63 -1.93 0.00 0.00 178.83 179.19 1q3r n LYS 295 N -5.04 3.43 -2.53 1.69 4.76 -0.95 -2.23 118.16 117.30 1q3r n LYS 295 Ca -0.09 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.12 1q3r n LYS 295 Cb 0.26 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.53 1q3r n LYS 295 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1q3r s GLY 296 N 0.00 1.77 -0.14 0.72 0.00 -1.26 -0.08 107.32 108.33 1q3r s GLY 296 Ca 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 1q3r s GLY 296 CO 0.00 -1.01 0.04 -0.42 0.00 0.00 0.00 173.10 171.71 1q3r s ILE 297 N -3.06 0.28 0.54 0.90 1.01 -1.26 -1.09 121.20 118.52 1q3r s ILE 297 Ca 0.63 -0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.86 1q3r s ILE 297 Cb -0.08 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 1q3r s ILE 297 CO 0.43 -0.07 1.33 -0.67 0.00 0.00 0.00 174.94 175.96 1q3r n ASP 298 N 5.15 2.59 -0.06 3.58 -0.08 -0.30 -4.81 116.55 122.63 1q3r n ASP 298 Ca -0.07 0.98 -0.08 0.00 -1.51 0.00 0.00 54.79 54.11 1q3r n ASP 298 Cb 0.49 -1.56 -0.01 0.00 2.34 0.00 0.00 41.12 42.37 1q3r n ASP 298 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1q3r h ASP 299 N 1.44 -0.67 -0.57 1.67 3.45 -2.00 -1.80 116.42 117.94 1q3r h ASP 299 Ca -0.50 0.13 0.11 0.00 0.43 0.00 0.00 57.03 57.19 1q3r h ASP 299 Cb 1.31 0.33 -0.08 0.00 -0.56 0.00 0.00 39.33 40.32 1q3r h ASP 299 CO 0.57 -0.24 0.10 0.25 -1.57 0.00 0.00 179.24 178.34 1q3r h LEU 300 N -0.20 -0.05 -0.41 1.55 5.85 -1.95 -0.23 115.31 119.87 1q3r h LEU 300 Ca 0.14 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1q3r h LEU 300 Cb 0.42 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1q3r h LEU 300 CO -0.37 -0.01 0.17 0.00 -0.34 0.00 0.00 178.44 177.89 1q3r h ALA 301 N 1.47 0.50 -0.66 1.25 0.00 -1.75 -1.10 119.26 118.97 1q3r h ALA 301 Ca 0.30 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.35 1q3r h ALA 301 Cb 0.44 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1q3r h ALA 301 CO -0.40 -0.21 0.25 1.96 0.00 0.00 0.00 179.25 180.85 1q3r h GLN 302 N 0.35 0.41 -0.33 0.00 4.20 -0.31 0.14 115.11 119.58 1q3r h GLN 302 Ca 0.18 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.90 1q3r h GLN 302 Cb 0.14 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1q3r h GLN 302 CO -0.16 0.27 0.12 1.25 -0.67 0.00 0.00 178.83 179.63 1q3r h HIS 303 N 0.42 0.21 -0.12 2.96 2.76 0.11 0.15 115.15 121.64 1q3r h HIS 303 Ca 0.34 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.50 1q3r h HIS 303 Cb 0.45 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 1q3r h HIS 303 CO -0.17 0.09 -0.02 1.88 -1.30 0.00 0.00 177.93 178.41 1q3r h TYR 304 N 0.26 0.24 -0.62 5.26 0.05 -0.50 -1.61 116.97 120.06 1q3r h TYR 304 Ca 0.15 -0.05 0.12 0.00 0.05 0.00 0.00 58.73 58.99 1q3r h TYR 304 Cb 0.11 -0.06 -0.12 0.00 1.01 0.00 0.00 36.73 37.67 1q3r h TYR 304 CO -0.13 0.51 -0.24 -0.07 -1.05 0.00 0.00 178.16 177.18 1q3r h LEU 305 N -0.09 -0.84 -0.21 3.88 4.07 -0.44 0.12 115.31 121.80 1q3r h LEU 305 Ca 0.03 0.21 0.05 0.00 0.08 0.00 0.00 57.88 58.24 1q3r h LEU 305 Cb 0.42 0.48 -0.04 0.00 1.08 0.00 0.00 40.66 42.59 1q3r h LEU 305 CO 0.01 -0.26 -0.07 0.00 -1.08 0.00 0.00 178.44 177.04 1q3r h ALA 306 N 1.36 0.12 -0.30 1.53 0.00 -0.55 -1.17 119.26 120.24 1q3r h ALA 306 Ca 0.28 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.36 1q3r h ALA 306 Cb 0.51 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1q3r h ALA 306 CO -0.67 -0.49 0.24 0.87 0.00 0.00 0.00 179.25 179.19 1q3r h LYS 307 N -0.03 0.00 -0.03 0.00 1.57 0.18 0.30 116.57 118.55 1q3r h LYS 307 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1q3r h LYS 307 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1q3r h LYS 307 CO -0.24 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.30 1q3r n TYR 308 N -4.25 0.03 -1.08 -1.35 4.02 -0.28 -4.89 117.16 109.36 1q3r n TYR 308 Ca 0.04 -0.02 -0.03 0.00 -0.01 0.00 0.00 57.90 57.89 1q3r n TYR 308 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.71 1q3r n TYR 308 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q3r n GLY 309 N 1.07 0.58 3.71 2.72 0.00 0.10 -5.00 105.19 108.38 1q3r n GLY 309 Ca 0.19 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1q3r n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3r s ILE 310 N -1.93 5.06 0.07 -0.61 1.01 -0.86 -4.55 121.20 119.39 1q3r s ILE 310 Ca 0.00 1.36 -0.28 0.00 0.00 0.00 0.00 60.65 61.73 1q3r s ILE 310 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1q3r s ILE 310 CO 0.00 0.24 0.88 -0.32 0.00 0.00 0.00 174.94 175.74 1q3r s MET 311 N 0.90 4.60 0.05 2.79 -2.45 0.15 -4.29 119.30 121.04 1q3r s MET 311 Ca 0.35 1.28 0.03 0.00 -1.25 0.00 0.00 55.69 56.10 1q3r s MET 311 Cb -0.17 -3.38 -0.02 0.00 1.25 0.00 0.00 34.83 32.50 1q3r s MET 311 CO 0.16 0.20 -0.10 0.00 1.05 0.00 0.00 175.02 176.34 1q3r s ALA 312 N 0.12 0.75 -0.02 4.11 0.00 -1.26 -0.46 121.76 124.99 1q3r s ALA 312 Ca 0.44 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1q3r s ALA 312 Cb -0.22 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1q3r s ALA 312 CO 0.27 0.04 -0.03 0.08 0.00 0.00 0.00 175.76 176.12 1q3r s VAL 313 N -1.28 0.36 0.47 0.00 1.01 -0.56 -0.71 120.40 119.69 1q3r s VAL 313 Ca -0.07 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1q3r s VAL 313 Cb -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1q3r s VAL 313 CO 0.01 0.15 0.24 0.00 0.00 0.00 0.00 175.10 175.49 1q3r s ARG 314 N 0.49 2.25 -1.48 2.72 1.70 -1.26 -0.46 118.95 122.90 1q3r s ARG 314 Ca -0.05 -1.98 -0.01 0.00 -0.47 0.00 0.00 55.73 53.22 1q3r s ARG 314 Cb -0.09 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.32 1q3r s ARG 314 CO -0.00 -0.32 0.21 0.54 -1.08 0.00 0.00 175.30 174.64 1q3r n ARG 315 N -1.43 -2.01 -3.03 3.89 3.00 0.89 -4.89 116.66 113.07 1q3r n ARG 315 Ca -0.04 0.24 -0.39 0.00 -0.01 0.00 0.00 57.85 57.64 1q3r n ARG 315 Cb 0.65 -4.00 -0.06 0.00 0.00 0.00 0.00 32.46 29.05 1q3r n ARG 315 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1q3r s VAL 316 N -4.17 4.51 0.45 1.55 1.01 -0.94 -4.99 120.40 117.82 1q3r s VAL 316 Ca 0.01 1.60 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 1q3r s VAL 316 Cb -0.01 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1q3r s VAL 316 CO 0.95 0.49 1.25 0.29 0.00 0.00 0.00 175.10 178.08 1q3r n LYS 317 N 1.89 1.80 -0.22 2.72 5.02 -1.26 -4.59 118.16 123.52 1q3r n LYS 317 Ca -0.06 0.65 -0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1q3r n LYS 317 Cb 0.49 -2.37 0.05 0.00 -0.02 0.00 0.00 35.03 33.18 1q3r n LYS 317 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1q3r h LYS 318 N 1.87 0.77 -0.04 1.97 3.64 -1.95 -0.85 116.57 121.98 1q3r h LYS 318 Ca -0.48 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1q3r h LYS 318 Cb 1.30 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1q3r h LYS 318 CO 0.59 0.51 -0.13 0.66 -2.27 0.00 0.00 179.45 178.81 1q3r h SER 319 N 0.80 0.06 -0.09 4.20 4.64 -2.00 -2.15 113.55 119.00 1q3r h SER 319 Ca 0.24 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 1q3r h SER 319 Cb -0.03 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1q3r h SER 319 CO -0.08 0.21 -0.55 0.44 -0.87 0.00 0.00 176.83 175.97 1q3r h ASP 320 N 0.06 0.75 -0.95 4.97 3.45 -1.56 -2.15 116.42 121.00 1q3r h ASP 320 Ca 0.01 -0.41 0.01 0.00 0.43 0.00 0.00 57.03 57.08 1q3r h ASP 320 Cb 0.28 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 38.78 1q3r h ASP 320 CO 0.02 1.15 0.63 0.24 -1.57 0.00 0.00 179.24 179.71 1q3r h MET 321 N 0.52 1.23 -0.34 3.56 2.86 -0.59 -0.91 114.93 121.27 1q3r h MET 321 Ca 0.01 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.40 1q3r h MET 321 Cb 1.12 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 1q3r h MET 321 CO 0.11 0.81 -0.46 0.93 1.06 0.00 0.00 176.91 179.36 1q3r h GLU 322 N 1.27 0.90 -0.42 1.72 5.08 -1.34 -1.17 114.58 120.62 1q3r h GLU 322 Ca 0.35 -0.51 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1q3r h GLU 322 Cb -0.12 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1q3r h GLU 322 CO -0.08 1.16 -0.05 0.87 -1.00 0.00 0.00 179.01 179.90 1q3r h LYS 323 N 0.71 0.71 -0.34 2.33 1.57 -0.98 -0.92 116.57 119.66 1q3r h LYS 323 Ca 0.04 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1q3r h LYS 323 Cb 1.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1q3r h LYS 323 CO 0.11 0.76 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.43 1q3r h LEU 324 N 0.66 0.69 0.26 2.94 3.38 -1.01 -0.42 115.31 121.82 1q3r h LEU 324 Ca 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1q3r h LEU 324 Cb 0.49 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1q3r h LEU 324 CO 0.03 0.92 -0.13 0.00 0.09 0.00 0.00 178.44 179.35 1q3r h ALA 325 N 1.13 -0.35 -0.17 1.53 0.00 -0.82 -1.43 119.26 119.15 1q3r h ALA 325 Ca 0.08 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1q3r h ALA 325 Cb 0.74 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1q3r h ALA 325 CO 0.06 -0.58 -0.33 0.87 0.00 0.00 0.00 179.25 179.27 1q3r h LYS 326 N -0.59 -0.37 0.56 0.00 1.79 -1.05 0.43 116.57 117.33 1q3r h LYS 326 Ca -0.04 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1q3r h LYS 326 Cb 0.43 0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1q3r h LYS 326 CO 0.06 -0.25 -0.27 0.00 -1.08 0.00 0.00 179.45 177.91 1q3r h ALA 327 N 0.43 -0.75 0.00 3.86 0.00 -1.10 -2.73 119.26 118.98 1q3r h ALA 327 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1q3r h ALA 327 Cb 0.56 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1q3r h ALA 327 CO -0.39 -0.78 -0.12 1.79 0.00 0.00 0.00 179.25 179.76 1q3r h THR 328 N -1.04 0.23 -0.48 0.00 1.35 -1.30 -3.32 112.91 108.35 1q3r h THR 328 Ca -0.08 -1.11 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 1q3r h THR 328 Cb 0.64 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1q3r h THR 328 CO 0.13 0.12 -0.06 0.61 -0.25 0.00 0.00 175.52 176.07 1q3r n GLY 329 N 0.73 0.36 3.93 5.82 0.00 0.15 -0.71 105.19 115.46 1q3r n GLY 329 Ca 0.02 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1q3r n GLY 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r s ALA 330 N -2.24 3.92 -0.21 4.61 0.00 -1.12 -4.33 121.76 122.39 1q3r s ALA 330 Ca 0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1q3r s ALA 330 Cb -0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1q3r s ALA 330 CO 0.01 0.56 0.09 0.15 0.00 0.00 0.00 175.76 176.57 1q3r s LYS 331 N -3.11 3.96 -0.01 0.00 1.02 -0.22 -4.44 119.74 116.94 1q3r s LYS 331 Ca 0.36 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 1q3r s LYS 331 Cb -0.11 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1q3r s LYS 331 CO 0.28 0.15 1.43 0.42 -0.92 0.00 0.00 175.35 176.71 1q3r s ILE 332 N 0.74 3.68 0.00 2.17 1.01 -1.26 -4.47 121.20 123.07 1q3r s ILE 332 Ca 0.05 1.04 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1q3r s ILE 332 Cb -0.13 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1q3r s ILE 332 CO 0.02 -0.01 -0.04 -0.69 0.00 0.00 0.00 174.94 174.22 1q3r s VAL 333 N 2.60 3.89 -0.13 2.92 1.01 -0.10 -5.03 120.40 125.56 1q3r s VAL 333 Ca 0.65 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1q3r s VAL 333 Cb -0.32 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 1q3r s VAL 333 CO 0.26 0.38 0.09 0.74 0.00 0.00 0.00 175.10 176.57 1q3r h THR 334 N 3.64 0.40 -3.23 3.92 2.02 -1.95 -2.56 112.91 115.15 1q3r h THR 334 Ca -0.49 -1.37 -0.60 0.00 0.77 0.00 0.00 66.41 64.73 1q3r h THR 334 Cb 1.17 0.82 -0.10 0.00 -1.74 0.00 0.00 68.15 68.30 1q3r h THR 334 CO 0.55 0.14 -0.37 0.20 0.37 0.00 0.00 175.52 176.41 1q3r s ASN 335 N -5.89 6.40 0.27 4.18 0.02 -1.26 -2.75 114.94 115.91 1q3r s ASN 335 Ca -0.12 0.47 0.00 0.00 -1.02 0.00 0.00 52.86 52.19 1q3r s ASN 335 Cb 0.01 -2.16 0.61 0.00 0.02 0.00 0.00 41.25 39.73 1q3r s ASN 335 CO 0.26 0.15 1.71 0.58 0.02 0.00 0.00 177.10 179.81 1q3r h VAL 336 N 4.59 0.54 -1.09 1.60 2.07 -1.92 0.82 116.25 122.85 1q3r h VAL 336 Ca -0.43 -0.14 0.30 0.00 0.82 0.00 0.00 66.70 67.26 1q3r h VAL 336 Cb 1.17 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1q3r h VAL 336 CO 0.74 0.07 0.75 0.07 0.02 0.00 0.00 177.57 179.22 1q3r h LYS 337 N 0.40 0.15 0.00 1.57 2.10 -1.93 0.34 116.57 119.21 1q3r h LYS 337 Ca 0.50 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1q3r h LYS 337 Cb 0.87 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1q3r h LYS 337 CO -0.49 0.10 -0.42 -0.44 -2.00 0.00 0.00 179.45 176.20 1q3r h ASP 338 N 0.16 0.00 -3.69 7.07 3.32 -1.24 -3.47 116.42 118.57 1q3r h ASP 338 Ca 0.56 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.97 1q3r h ASP 338 Cb 1.89 0.00 0.10 0.00 0.22 0.00 0.00 39.33 41.55 1q3r h ASP 338 CO -0.13 0.05 0.77 -0.11 -1.72 0.00 0.00 179.24 178.10 1q3r n LEU 339 N -2.34 4.53 -4.12 1.55 7.94 0.11 -5.01 117.00 119.66 1q3r n LEU 339 Ca 0.04 1.21 -0.11 0.00 -1.11 0.00 0.00 56.01 56.04 1q3r n LEU 339 Cb 0.46 -1.60 -0.09 0.00 0.53 0.00 0.00 43.42 42.73 1q3r n LEU 339 CO 0.35 0.08 -0.16 0.42 -1.11 0.00 0.00 177.39 176.97 1q3r s THR 340 N -0.86 0.03 0.44 1.96 -4.23 -1.26 -4.97 115.64 106.75 1q3r s THR 340 Ca 0.56 -1.80 0.16 0.00 -1.18 0.00 0.00 61.69 59.43 1q3r s THR 340 Cb -0.49 -2.25 0.34 0.00 1.34 0.00 0.00 72.50 71.44 1q3r s THR 340 CO 0.60 -0.15 1.96 -0.65 -0.54 0.00 0.00 174.62 175.84 1q3r h PRO 341 N 2.61 0.35 0.00 3.99 0.11 -1.94 -1.12 132.00 136.00 1q3r h PRO 341 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1q3r h PRO 341 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1q3r h PRO 341 CO 0.51 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 1q3r n GLU 342 N -4.46 0.07 0.00 1.05 4.71 -1.26 -1.53 120.64 119.22 1q3r n GLU 342 Ca 0.11 0.41 0.12 0.00 -0.01 0.00 0.00 57.16 57.79 1q3r n GLU 342 Cb 0.45 -1.66 0.09 0.00 -1.01 0.00 0.00 31.44 29.30 1q3r n GLU 342 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1q3r n ASP 343 N -1.79 2.53 -4.78 1.62 10.43 -0.42 -4.78 116.55 119.35 1q3r n ASP 343 Ca 0.02 -1.77 -0.37 0.00 2.57 0.00 0.00 54.79 55.23 1q3r n ASP 343 Cb 0.12 0.18 -0.06 0.00 1.84 0.00 0.00 41.12 43.20 1q3r n ASP 343 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1q3r s LEU 344 N -2.19 4.30 0.47 0.64 1.43 -0.58 -1.05 118.68 121.69 1q3r s LEU 344 Ca 0.25 1.88 0.07 0.00 -1.03 0.00 0.00 54.13 55.30 1q3r s LEU 344 Cb 0.19 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1q3r s LEU 344 CO 0.41 -0.15 0.46 -0.83 0.23 0.00 0.00 176.35 176.46 1q3r s GLY 345 N -1.61 2.13 -0.02 -3.19 0.00 0.90 -4.45 107.32 101.08 1q3r s GLY 345 Ca 0.52 -1.76 0.05 0.00 0.00 0.00 0.00 44.72 43.53 1q3r s GLY 345 CO 0.24 -1.75 -0.17 -0.47 0.00 0.00 0.00 173.10 170.96 1q3r s TYR 346 N -2.57 1.59 -0.05 1.90 5.04 0.11 -0.18 117.35 123.18 1q3r s TYR 346 Ca 0.47 -0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 54.71 1q3r s TYR 346 Cb -0.04 -1.04 0.03 0.00 0.35 0.00 0.00 41.96 41.26 1q3r s TYR 346 CO 0.28 -0.08 0.12 0.00 -1.34 0.00 0.00 175.55 174.53 1q3r s ALA 347 N -0.23 -0.21 0.40 3.97 0.00 -1.16 -4.40 121.76 120.12 1q3r s ALA 347 Ca 0.03 0.52 0.11 0.00 0.00 0.00 0.00 51.96 52.61 1q3r s ALA 347 Cb -0.08 -0.35 0.83 0.00 0.00 0.00 0.00 23.12 23.52 1q3r s ALA 347 CO 0.00 -0.12 1.93 1.49 0.00 0.00 0.00 175.76 179.06 1q3r h GLU 348 N 6.89 0.19 -2.72 0.00 4.81 -1.02 -1.59 114.58 121.15 1q3r h GLU 348 Ca -0.38 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.68 1q3r h GLU 348 Cb 1.15 -0.03 -0.25 0.00 0.63 0.00 0.00 28.75 30.26 1q3r h GLU 348 CO 0.44 0.34 -0.26 0.08 -0.73 0.00 0.00 179.01 178.87 1q3r s VAL 349 N -4.70 -0.01 -0.15 0.32 1.01 -0.27 -1.66 120.40 114.95 1q3r s VAL 349 Ca -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1q3r s VAL 349 Cb 0.15 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.99 1q3r s VAL 349 CO 0.72 0.01 -0.03 -0.69 0.00 0.00 0.00 175.10 175.12 1q3r s VAL 350 N 0.59 0.85 -0.06 2.92 1.01 -0.18 -1.15 120.40 124.38 1q3r s VAL 350 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1q3r s VAL 350 Cb -0.05 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1q3r s VAL 350 CO -0.04 0.12 0.27 -0.70 0.00 0.00 0.00 175.10 174.75 1q3r s GLU 351 N 1.75 0.45 -0.21 2.72 2.12 -0.22 -0.77 118.70 124.54 1q3r s GLU 351 Ca 0.02 0.11 -0.23 0.00 0.36 0.00 0.00 54.97 55.23 1q3r s GLU 351 Cb -0.15 0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 1q3r s GLU 351 CO -0.07 -0.09 0.72 -2.00 -0.54 0.00 0.00 175.26 173.27 1q3r s GLU 352 N -0.50 4.20 0.09 4.30 2.12 -0.43 -0.36 118.70 128.12 1q3r s GLU 352 Ca -0.06 0.76 0.06 0.00 0.36 0.00 0.00 54.97 56.10 1q3r s GLU 352 Cb -0.04 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1q3r s GLU 352 CO 0.02 -0.35 -0.17 1.03 -0.54 0.00 0.00 175.26 175.25 1q3r s ARG 353 N 2.28 0.97 -0.21 4.30 0.52 0.16 -4.91 118.95 122.06 1q3r s ARG 353 Ca 0.32 -1.08 -0.15 0.00 -0.52 0.00 0.00 55.73 54.30 1q3r s ARG 353 Cb -0.16 -1.06 -0.04 0.00 0.52 0.00 0.00 34.95 34.21 1q3r s ARG 353 CO 0.10 0.24 0.35 0.15 0.02 0.00 0.00 175.30 176.15 1q3r s LYS 354 N -1.95 4.16 -0.18 3.54 1.02 -1.26 0.47 119.74 125.55 1q3r s LYS 354 Ca 0.03 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.14 1q3r s LYS 354 Cb -0.09 -3.53 0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1q3r s LYS 354 CO 0.03 -0.01 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.75 1q3r s LEU 355 N 1.22 2.08 -1.26 3.17 1.43 0.13 -4.62 118.68 120.84 1q3r s LEU 355 Ca 0.17 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1q3r s LEU 355 Cb -0.14 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1q3r s LEU 355 CO 0.07 -0.01 0.67 0.00 0.23 0.00 0.00 176.35 177.31 1q3r n ALA 356 N 4.64 -2.23 0.00 4.21 0.00 -1.26 -1.85 120.51 124.02 1q3r n ALA 356 Ca -0.20 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1q3r n ALA 356 Cb 0.50 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1q3r n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 357 N -1.70 1.13 3.71 0.00 0.00 -1.26 -4.95 105.19 102.12 1q3r n GLY 357 Ca -0.22 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1q3r n GLY 357 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q3r n GLU 358 N 0.00 2.39 -2.76 1.61 -0.58 -0.77 -4.76 120.64 115.76 1q3r n GLU 358 Ca 0.00 0.85 -0.41 0.00 -0.42 0.00 0.00 57.16 57.18 1q3r n GLU 358 Cb 0.00 -2.57 -0.04 0.00 -0.57 0.00 0.00 31.44 28.26 1q3r n GLU 358 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1q3r s ASN 359 N 0.39 7.37 0.04 1.62 0.01 -1.26 0.21 114.94 123.32 1q3r s ASN 359 Ca 0.66 1.65 -0.01 0.00 -0.71 0.00 0.00 52.86 54.45 1q3r s ASN 359 Cb -0.57 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.50 1q3r s ASN 359 CO 0.49 -0.16 -0.03 -0.04 -1.51 0.00 0.00 177.10 175.85 1q3r s MET 360 N 0.59 0.53 -0.13 -0.60 -1.94 0.18 -4.10 119.30 113.81 1q3r s MET 360 Ca 0.48 -1.05 -0.02 0.00 -1.71 0.00 0.00 55.69 53.39 1q3r s MET 360 Cb -0.21 0.18 -0.03 0.00 2.01 0.00 0.00 34.83 36.78 1q3r s MET 360 CO 0.27 -0.09 -0.06 0.42 -0.01 0.00 0.00 175.02 175.55 1q3r s ILE 361 N -3.24 3.72 -0.19 2.53 1.01 0.45 0.38 121.20 125.87 1q3r s ILE 361 Ca 0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 1q3r s ILE 361 Cb 0.03 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1q3r s ILE 361 CO -0.08 0.52 -0.04 -0.36 0.00 0.00 0.00 174.94 174.99 1q3r s PHE 362 N 0.10 2.98 -0.39 3.97 0.40 0.51 -1.39 117.98 124.17 1q3r s PHE 362 Ca -0.02 -0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1q3r s PHE 362 Cb -0.14 -2.03 0.10 0.00 0.51 0.00 0.00 43.02 41.46 1q3r s PHE 362 CO 0.03 -0.28 0.17 0.08 0.70 0.00 0.00 175.22 175.93 1q3r s VAL 363 N 0.91 3.15 0.12 -0.44 1.01 0.56 -1.05 120.40 124.65 1q3r s VAL 363 Ca -0.00 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 59.99 1q3r s VAL 363 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1q3r s VAL 363 CO 0.01 -0.63 -0.10 -1.83 0.00 0.00 0.00 175.10 172.55 1q3r s GLU 364 N 1.12 0.92 0.00 2.72 -1.05 -0.30 0.04 118.70 122.16 1q3r s GLU 364 Ca 0.07 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1q3r s GLU 364 Cb -0.22 -0.52 0.00 0.00 -0.44 0.00 0.00 34.13 32.95 1q3r s GLU 364 CO -0.04 0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.64 1q3r n GLY 365 N 0.19 0.83 3.77 -3.83 0.00 -1.01 -1.11 105.19 104.02 1q3r n GLY 365 Ca -0.13 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 1q3r n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r n LYS 367 N -1.07 0.00 -3.33 0.00 0.00 -1.26 -4.32 118.16 108.18 1q3r n LYS 367 Ca 0.11 0.54 -0.26 0.00 0.00 0.00 0.00 58.31 58.70 1q3r n LYS 367 Cb 0.49 -1.40 -0.08 0.00 0.00 0.00 0.00 35.03 34.04 1q3r n LYS 367 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1q3r n ASN 368 N -1.94 0.75 -4.62 3.14 2.85 -1.26 -5.11 115.26 109.07 1q3r n ASN 368 Ca 0.00 -2.76 -0.47 0.00 -0.11 0.00 0.00 54.58 51.24 1q3r n ASN 368 Cb 0.00 -0.63 -0.03 0.00 1.24 0.00 0.00 39.78 40.36 1q3r n ASN 368 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1q3r n PRO 369 N 1.73 1.54 -0.08 1.20 -0.04 -1.25 -4.89 135.00 133.21 1q3r n PRO 369 Ca 0.25 0.55 0.10 0.00 -0.04 0.00 0.00 63.50 64.35 1q3r n PRO 369 Cb 0.49 -2.11 0.13 0.00 -0.04 0.00 0.00 33.50 31.97 1q3r n PRO 369 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q3r n LYS 370 N 1.84 2.01 -3.73 0.54 4.76 -1.03 -4.61 118.16 117.95 1q3r n LYS 370 Ca 0.13 -1.89 -0.13 0.00 -2.87 0.00 0.00 58.31 53.56 1q3r n LYS 370 Cb 0.28 -1.41 -0.13 0.00 -1.84 0.00 0.00 35.03 31.93 1q3r n LYS 370 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q3r s ALA 371 N -1.49 -0.50 0.24 7.82 0.00 -1.26 -4.67 121.76 121.90 1q3r s ALA 371 Ca 0.28 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.23 1q3r s ALA 371 Cb 0.18 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1q3r s ALA 371 CO 0.26 -0.20 -0.07 0.54 0.00 0.00 0.00 175.76 176.29 1q3r s VAL 372 N 1.26 1.45 -0.06 0.00 0.11 0.42 -4.17 120.40 119.40 1q3r s VAL 372 Ca -0.09 -2.11 0.03 0.00 -2.93 0.00 0.00 61.98 56.88 1q3r s VAL 372 Cb -0.11 -2.27 0.01 0.00 -1.53 0.00 0.00 36.38 32.48 1q3r s VAL 372 CO -0.08 -0.42 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.24 1q3r s THR 373 N -3.15 1.27 -0.47 5.04 2.01 -0.74 -0.97 115.64 118.63 1q3r s THR 373 Ca 0.26 -0.58 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 1q3r s THR 373 Cb 0.03 -1.13 0.10 0.00 0.01 0.00 0.00 72.50 71.51 1q3r s THR 373 CO 0.09 0.38 0.36 -0.63 -0.69 0.00 0.00 174.62 174.13 1q3r s ILE 374 N 0.43 4.62 -0.30 1.82 1.01 0.12 0.96 121.20 129.87 1q3r s ILE 374 Ca -0.11 -1.46 -0.28 0.00 0.00 0.00 0.00 60.65 58.80 1q3r s ILE 374 Cb -0.14 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1q3r s ILE 374 CO 0.04 -0.67 0.99 -0.22 0.00 0.00 0.00 174.94 175.08 1q3r s LEU 375 N 1.49 4.00 -0.18 2.97 0.20 0.44 -2.24 118.68 125.35 1q3r s LEU 375 Ca 0.04 1.01 -0.10 0.00 0.69 0.00 0.00 54.13 55.77 1q3r s LEU 375 Cb -0.26 -3.42 -0.05 0.00 -0.43 0.00 0.00 46.19 42.03 1q3r s LEU 375 CO 0.02 -0.77 0.15 -0.63 -0.29 0.00 0.00 176.35 174.83 1q3r s ILE 376 N 3.39 5.41 0.25 6.68 1.01 0.36 -1.15 121.20 137.15 1q3r s ILE 376 Ca 0.42 0.22 0.12 0.00 0.00 0.00 0.00 60.65 61.41 1q3r s ILE 376 Cb -0.13 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1q3r s ILE 376 CO 0.13 0.46 -0.20 -0.13 0.00 0.00 0.00 174.94 175.21 1q3r s ARG 377 N 0.16 1.68 -0.24 2.79 1.81 -1.26 -1.71 118.95 122.18 1q3r s ARG 377 Ca 0.10 -1.67 -0.34 0.00 -1.72 0.00 0.00 55.73 52.10 1q3r s ARG 377 Cb -0.11 -1.83 0.16 0.00 -0.45 0.00 0.00 34.95 32.72 1q3r s ARG 377 CO -0.01 0.35 1.28 0.20 -0.68 0.00 0.00 175.30 176.44 1q3r s GLY 378 N -3.27 -0.16 0.00 -3.53 0.00 -0.96 -3.44 107.32 95.96 1q3r s GLY 378 Ca 0.27 2.05 0.14 0.00 0.00 0.00 0.00 44.72 47.18 1q3r s GLY 378 CO 0.14 0.75 1.30 0.61 0.00 0.00 0.00 173.10 175.90 1q3r n GLY 379 N 0.16 -0.54 3.46 0.20 0.00 -1.07 0.20 105.19 107.59 1q3r n GLY 379 Ca 0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1q3r n GLY 379 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3r s THR 380 N -2.19 0.01 0.09 2.61 2.01 -1.26 -4.69 115.64 112.22 1q3r s THR 380 Ca 0.18 -0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.89 1q3r s THR 380 Cb 0.10 -0.99 -0.13 0.00 0.01 0.00 0.00 72.50 71.48 1q3r s THR 380 CO 0.18 -0.03 1.73 -0.33 -0.69 0.00 0.00 174.62 175.47 1q3r h GLU 381 N 2.67 -0.06 0.00 4.92 3.07 -1.98 -1.06 114.58 122.14 1q3r h GLU 381 Ca -0.30 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1q3r h GLU 381 Cb 1.21 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1q3r h GLU 381 CO 0.39 -0.04 -0.00 0.45 -1.40 0.00 0.00 179.01 178.41 1q3r h HIS 382 N -0.06 0.00 -0.00 4.33 3.86 -1.97 -0.51 115.15 120.80 1q3r h HIS 382 Ca 0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1q3r h HIS 382 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1q3r h HIS 382 CO -0.10 0.00 -0.08 0.28 0.86 0.00 0.00 177.93 178.90 1q3r h VAL 383 N 0.00 1.57 0.00 2.45 2.07 -1.77 -2.79 116.25 117.79 1q3r h VAL 383 Ca -0.00 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 1q3r h VAL 383 Cb 0.01 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1q3r h VAL 383 CO 0.00 0.48 -0.15 0.16 0.02 0.00 0.00 177.57 178.08 1q3r h ILE 384 N -0.65 0.59 -0.20 4.57 3.07 -0.80 0.20 117.51 124.28 1q3r h ILE 384 Ca -0.01 -0.66 -0.06 0.00 1.55 0.00 0.00 64.86 65.68 1q3r h ILE 384 Cb 0.82 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 38.80 1q3r h ILE 384 CO 0.02 0.14 -0.11 0.44 -1.05 0.00 0.00 178.15 177.59 1q3r h ASP 385 N 0.00 0.44 0.68 2.16 3.32 -1.09 -0.93 116.42 121.00 1q3r h ASP 385 Ca -0.00 -0.42 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 1q3r h ASP 385 Cb 0.42 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1q3r h ASP 385 CO 0.02 0.76 -0.56 -0.08 -1.72 0.00 0.00 179.24 177.66 1q3r h GLU 386 N 0.12 0.00 -0.42 3.56 4.57 -1.15 -2.02 114.58 119.24 1q3r h GLU 386 Ca 0.04 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 1q3r h GLU 386 Cb 0.60 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1q3r h GLU 386 CO 0.03 0.56 -0.27 0.28 -1.18 0.00 0.00 179.01 178.44 1q3r h VAL 387 N 0.00 1.27 0.09 0.32 2.07 -0.89 -1.42 116.25 117.70 1q3r h VAL 387 Ca -0.01 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1q3r h VAL 387 Cb 1.06 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1q3r h VAL 387 CO 0.07 0.48 -0.05 -0.08 0.02 0.00 0.00 177.57 178.01 1q3r h GLU 388 N 0.76 -0.13 -0.44 1.57 4.81 -0.78 0.38 114.58 120.74 1q3r h GLU 388 Ca 0.09 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1q3r h GLU 388 Cb 0.83 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 1q3r h GLU 388 CO 0.07 -0.09 0.14 0.00 -0.73 0.00 0.00 179.01 178.41 1q3r h ARG 389 N -0.14 0.29 -0.77 1.92 3.08 -1.24 0.27 114.38 117.79 1q3r h ARG 389 Ca -0.01 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1q3r h ARG 389 Cb 0.11 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 1q3r h ARG 389 CO 0.01 0.19 0.42 0.00 -1.07 0.00 0.00 179.97 179.53 1q3r h ALA 390 N 1.30 1.08 -0.18 0.04 0.00 -0.79 -1.04 119.26 119.67 1q3r h ALA 390 Ca 0.21 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1q3r h ALA 390 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1q3r h ALA 390 CO -0.23 0.05 -0.40 -0.07 0.00 0.00 0.00 179.25 178.60 1q3r h LEU 391 N 0.72 0.44 -0.75 0.00 3.38 0.35 -1.86 115.31 117.59 1q3r h LEU 391 Ca 0.37 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1q3r h LEU 391 Cb 0.33 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1q3r h LEU 391 CO -0.24 0.80 0.47 -0.33 0.09 0.00 0.00 178.44 179.23 1q3r h GLU 392 N 0.35 0.87 0.06 1.13 5.08 0.77 0.01 114.58 122.84 1q3r h GLU 392 Ca 0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1q3r h GLU 392 Cb 0.86 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1q3r h GLU 392 CO 0.07 0.57 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.19 1q3r h ASP 393 N 0.89 -0.07 -0.59 1.42 3.32 -1.20 -2.14 116.42 118.06 1q3r h ASP 393 Ca 0.31 -0.45 0.12 0.00 0.02 0.00 0.00 57.03 57.04 1q3r h ASP 393 Cb 0.07 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 39.54 1q3r h ASP 393 CO -0.13 0.43 -0.02 0.00 -1.72 0.00 0.00 179.24 177.80 1q3r h ALA 394 N 0.29 0.55 -0.97 3.45 0.00 -1.08 0.23 119.26 121.73 1q3r h ALA 394 Ca -0.01 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1q3r h ALA 394 Cb 0.51 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1q3r h ALA 394 CO 0.01 -0.40 0.64 0.28 0.00 0.00 0.00 179.25 179.78 1q3r h VAL 395 N 0.10 1.21 -0.33 0.00 2.07 -1.01 -0.51 116.25 117.78 1q3r h VAL 395 Ca 0.30 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 1q3r h VAL 395 Cb 0.48 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1q3r h VAL 395 CO -0.52 0.23 -0.39 0.50 0.02 0.00 0.00 177.57 177.41 1q3r h LYS 396 N 1.27 0.84 -0.05 1.57 1.63 -0.00 -1.59 116.57 120.23 1q3r h LYS 396 Ca 0.37 -0.47 -0.15 0.00 -0.85 0.00 0.00 60.65 59.55 1q3r h LYS 396 Cb -0.07 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1q3r h LYS 396 CO -0.10 1.10 -0.64 -0.39 -3.45 0.00 0.00 179.45 175.97 1q3r h VAL 397 N 0.62 1.41 -0.30 2.00 -1.51 -0.48 0.70 116.25 118.69 1q3r h VAL 397 Ca 0.04 -2.08 -0.08 0.00 -1.23 0.00 0.00 66.70 63.35 1q3r h VAL 397 Cb 0.98 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 32.20 1q3r h VAL 397 CO 0.09 0.61 -0.17 0.58 -1.23 0.00 0.00 177.57 177.46 1q3r h VAL 398 N 0.15 1.25 -0.30 7.19 2.07 -1.04 -2.32 116.25 123.24 1q3r h VAL 398 Ca -0.01 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1q3r h VAL 398 Cb 1.16 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1q3r h VAL 398 CO 0.10 0.37 -0.21 0.50 0.02 0.00 0.00 177.57 178.35 1q3r h LYS 399 N 0.48 0.67 -0.58 1.57 3.64 -0.84 -2.74 116.57 118.76 1q3r h LYS 399 Ca 0.08 -0.32 0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1q3r h LYS 399 Cb 0.57 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 1q3r h LYS 399 CO 0.04 0.92 0.07 -0.44 -2.27 0.00 0.00 179.45 177.77 1q3r h ASP 400 N 0.42 -0.11 0.75 4.20 3.32 -0.35 -1.04 116.42 123.61 1q3r h ASP 400 Ca 0.06 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1q3r h ASP 400 Cb 0.75 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1q3r h ASP 400 CO 0.06 -0.04 -0.31 0.58 -1.72 0.00 0.00 179.24 177.81 1q3r h VAL 401 N 0.19 0.81 0.00 -1.35 2.07 -1.42 -1.14 116.25 115.41 1q3r h VAL 401 Ca 0.31 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1q3r h VAL 401 Cb 0.47 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1q3r h VAL 401 CO -0.44 0.30 -0.17 0.24 0.02 0.00 0.00 177.57 177.53 1q3r h MET 402 N 0.00 0.00 0.06 1.57 2.86 -0.90 -3.31 114.93 115.21 1q3r h MET 402 Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.28 1q3r h MET 402 Cb 0.77 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 1q3r h MET 402 CO 0.04 0.17 -2.06 0.39 1.06 0.00 0.00 176.91 176.51 1q3r n GLU 403 N -3.15 0.70 -3.93 1.72 1.02 -0.83 -3.85 120.64 112.33 1q3r n GLU 403 Ca 0.03 0.22 -0.33 0.00 -0.02 0.00 0.00 57.16 57.06 1q3r n GLU 403 Cb 0.59 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 1q3r n GLU 403 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q3r s ASP 404 N -6.53 4.91 0.00 1.62 -0.00 -0.45 -4.79 116.67 111.43 1q3r s ASP 404 Ca -0.19 -1.88 0.00 0.00 -0.00 0.00 0.00 52.55 50.48 1q3r s ASP 404 Cb 0.07 -1.70 0.00 0.00 -0.00 0.00 0.00 42.92 41.29 1q3r s ASP 404 CO 0.76 -0.39 0.03 0.61 -0.00 0.00 0.00 175.17 176.17 1q3r n GLY 405 N 4.44 0.05 3.54 0.21 0.00 -1.25 -4.35 105.19 107.84 1q3r n GLY 405 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1q3r n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r s ALA 406 N 0.92 2.85 0.16 4.61 0.00 -1.26 0.15 121.76 129.18 1q3r s ALA 406 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1q3r s ALA 406 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1q3r s ALA 406 CO 0.00 0.56 0.04 0.54 0.00 0.00 0.00 175.76 176.90 1q3r s VAL 407 N -0.75 0.39 0.09 0.00 0.11 0.14 -2.70 120.40 117.68 1q3r s VAL 407 Ca 0.12 -1.95 -0.08 0.00 -2.93 0.00 0.00 61.98 57.14 1q3r s VAL 407 Cb -0.11 -2.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.60 1q3r s VAL 407 CO 0.01 -0.42 0.17 -0.76 -3.33 0.00 0.00 175.10 170.77 1q3r s LEU 408 N -3.13 1.53 0.52 2.54 1.43 0.85 -0.89 118.68 121.54 1q3r s LEU 408 Ca 0.26 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 1q3r s LEU 408 Cb 0.07 0.93 -0.07 0.00 0.03 0.00 0.00 46.19 47.15 1q3r s LEU 408 CO 0.04 -0.72 1.03 -2.16 0.23 0.00 0.00 176.35 174.77 1q3r s PRO 409 N -3.88 3.69 0.00 1.29 0.04 -1.26 -0.69 135.00 134.19 1q3r s PRO 409 Ca 0.06 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1q3r s PRO 409 Cb 0.05 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1q3r s PRO 409 CO -0.10 -0.51 0.00 0.00 0.04 0.00 0.00 177.00 176.43 1q3r n ALA 410 N -1.38 0.00 -1.85 8.56 0.00 -0.57 -4.12 120.51 121.15 1q3r n ALA 410 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1q3r n ALA 410 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1q3r n ALA 410 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 411 N 5.00 0.48 2.28 0.00 0.00 -1.26 -0.74 105.19 110.95 1q3r n GLY 411 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q3r n GLY 411 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3r n GLY 412 N -0.50 0.87 0.23 -0.02 0.00 -1.26 -0.26 105.19 104.25 1q3r n GLY 412 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1q3r n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r h ALA 413 N 0.00 -0.28 0.20 4.61 0.00 -1.13 -1.64 119.26 121.02 1q3r h ALA 413 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1q3r h ALA 413 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1q3r h ALA 413 CO 0.00 -0.70 -0.26 -1.35 0.00 0.00 0.00 179.25 176.94 1q3r h PRO 414 N -0.33 -0.50 -0.51 0.00 0.11 -1.78 -1.04 132.00 127.94 1q3r h PRO 414 Ca 0.04 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.29 1q3r h PRO 414 Cb 0.37 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1q3r h PRO 414 CO -0.13 -0.34 0.35 1.05 -0.21 0.00 0.00 178.00 178.73 1q3r h GLU 415 N -0.52 0.19 -0.18 1.05 9.09 -1.88 0.13 114.58 122.46 1q3r h GLU 415 Ca 0.01 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.27 1q3r h GLU 415 Cb 0.51 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1q3r h GLU 415 CO -0.10 0.13 -0.40 0.82 0.05 0.00 0.00 179.01 179.51 1q3r h ILE 416 N 0.20 1.33 -0.03 -1.06 2.04 -0.66 0.15 117.51 119.49 1q3r h ILE 416 Ca 0.24 -1.64 0.02 0.00 1.00 0.00 0.00 64.86 64.48 1q3r h ILE 416 Cb 0.69 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1q3r h ILE 416 CO -0.04 0.51 -0.07 -0.08 0.00 0.00 0.00 178.15 178.47 1q3r h GLU 417 N 0.26 -0.10 -0.61 2.37 4.57 0.09 -0.24 114.58 120.91 1q3r h GLU 417 Ca 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1q3r h GLU 417 Cb 1.01 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.57 1q3r h GLU 417 CO 0.09 -0.07 0.32 -0.07 -1.18 0.00 0.00 179.01 178.10 1q3r h LEU 418 N -0.11 0.47 -0.37 1.64 3.38 -0.74 -0.13 115.31 119.44 1q3r h LEU 418 Ca 0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1q3r h LEU 418 Cb 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1q3r h LEU 418 CO -0.09 0.31 0.24 0.00 0.09 0.00 0.00 178.44 178.98 1q3r h ALA 419 N 1.33 0.47 0.90 1.53 0.00 -0.49 0.26 119.26 123.27 1q3r h ALA 419 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1q3r h ALA 419 Cb 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1q3r h ALA 419 CO -0.18 -0.09 -0.45 0.82 0.00 0.00 0.00 179.25 179.35 1q3r h ILE 420 N 0.49 0.00 -0.62 0.00 2.04 -0.38 -2.64 117.51 116.39 1q3r h ILE 420 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 1q3r h ILE 420 Cb -0.04 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 1q3r h ILE 420 CO -0.04 0.00 0.41 0.03 0.00 0.00 0.00 178.15 178.55 1q3r h ARG 421 N -1.24 0.77 -0.01 2.37 3.08 -1.00 -2.54 114.38 115.82 1q3r h ARG 421 Ca -0.12 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1q3r h ARG 421 Cb 0.96 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1q3r h ARG 421 CO 0.19 0.51 -0.48 -0.07 -1.07 0.00 0.00 179.97 179.05 1q3r h LEU 422 N 0.80 0.01 -0.92 3.04 3.38 -0.95 -2.05 115.31 118.63 1q3r h LEU 422 Ca 0.24 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1q3r h LEU 422 Cb -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1q3r h LEU 422 CO -0.06 0.49 0.09 0.44 0.09 0.00 0.00 178.44 179.49 1q3r h ASP 423 N 0.01 0.84 -0.09 -0.43 3.45 -1.07 0.23 116.42 119.36 1q3r h ASP 423 Ca -0.00 -0.18 -0.04 0.00 0.43 0.00 0.00 57.03 57.24 1q3r h ASP 423 Cb 0.86 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1q3r h ASP 423 CO 0.06 0.85 -0.08 -0.33 -1.57 0.00 0.00 179.24 178.17 1q3r h GLU 424 N 0.84 0.21 -0.78 3.56 4.39 -1.46 -2.95 114.58 118.39 1q3r h GLU 424 Ca 0.17 -0.11 0.12 0.00 0.34 0.00 0.00 59.36 59.88 1q3r h GLU 424 Cb 0.38 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.95 1q3r h GLU 424 CO 0.01 0.63 0.39 -0.92 -1.16 0.00 0.00 179.01 177.96 1q3r h TYR 425 N -0.20 0.68 -0.66 4.33 3.20 -1.07 0.32 116.97 123.57 1q3r h TYR 425 Ca 0.01 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.03 1q3r h TYR 425 Cb 0.59 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 1q3r h TYR 425 CO 0.09 0.20 0.25 0.00 -1.64 0.00 0.00 178.16 177.06 1q3r h ALA 426 N 1.49 0.88 -0.41 1.82 0.00 -0.43 -0.66 119.26 121.95 1q3r h ALA 426 Ca 0.40 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1q3r h ALA 426 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1q3r h ALA 426 CO -0.32 -0.20 0.24 0.87 0.00 0.00 0.00 179.25 179.85 1q3r h LYS 427 N 0.42 0.55 -0.05 0.00 1.57 -0.78 0.17 116.57 118.45 1q3r h LYS 427 Ca 0.35 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 1q3r h LYS 427 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1q3r h LYS 427 CO -0.35 0.39 -0.62 1.96 -0.57 0.00 0.00 179.45 180.27 1q3r h GLN 428 N 0.57 0.19 0.21 3.15 4.20 -0.71 -3.19 115.11 119.53 1q3r h GLN 428 Ca 0.15 -0.14 -0.33 0.00 0.06 0.00 0.00 58.65 58.40 1q3r h GLN 428 Cb -0.02 0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.81 1q3r h GLN 428 CO -0.03 0.75 -1.49 0.28 -0.67 0.00 0.00 178.83 177.68 1q3r h VAL 429 N 0.14 1.26 -1.16 -0.54 2.07 -0.85 -3.50 116.25 113.67 1q3r h VAL 429 Ca -0.01 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.76 1q3r h VAL 429 Cb 1.13 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1q3r h VAL 429 CO 0.09 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.13 1q3r n GLY 430 N 1.70 -0.10 7.00 2.17 0.00 0.53 -4.79 105.19 111.70 1q3r n GLY 430 Ca -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1q3r n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3r n GLY 431 N 0.00 -0.74 0.10 -0.02 0.00 -1.26 -1.95 105.19 101.32 1q3r n GLY 431 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 1q3r n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q3r h LYS 432 N 0.00 0.00 -0.67 1.61 1.57 -1.99 -3.11 116.57 113.98 1q3r h LYS 432 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1q3r h LYS 432 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1q3r h LYS 432 CO 0.00 0.81 0.45 0.93 -0.57 0.00 0.00 179.45 181.06 1q3r h GLU 433 N 0.00 0.79 -0.96 3.15 5.08 -1.87 -0.84 114.58 119.93 1q3r h GLU 433 Ca -0.01 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1q3r h GLU 433 Cb 1.46 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 1q3r h GLU 433 CO 0.11 0.52 0.62 0.00 -1.00 0.00 0.00 179.01 179.26 1q3r h ALA 434 N 1.61 1.31 -0.63 3.43 0.00 -1.31 0.79 119.26 124.45 1q3r h ALA 434 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1q3r h ALA 434 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1q3r h ALA 434 CO -0.07 0.44 0.36 -0.07 0.00 0.00 0.00 179.25 179.90 1q3r h LEU 435 N 1.15 0.76 -0.23 0.00 4.07 -1.26 0.51 115.31 120.31 1q3r h LEU 435 Ca 0.40 -0.05 -0.16 0.00 0.08 0.00 0.00 57.88 58.15 1q3r h LEU 435 Cb 0.10 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1q3r h LEU 435 CO -0.15 0.60 -0.49 0.00 -1.08 0.00 0.00 178.44 177.32 1q3r h ALA 436 N 1.52 0.36 -0.21 1.53 0.00 -0.88 -2.26 119.26 119.32 1q3r h ALA 436 Ca 0.22 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1q3r h ALA 436 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1q3r h ALA 436 CO -0.04 0.53 -0.26 0.82 0.00 0.00 0.00 179.25 180.31 1q3r h ILE 437 N 0.46 1.26 -0.54 0.00 2.04 -0.25 -1.66 117.51 118.82 1q3r h ILE 437 Ca 0.00 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 1q3r h ILE 437 Cb 1.10 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1q3r h ILE 437 CO 0.11 0.39 0.10 -0.33 0.00 0.00 0.00 178.15 178.41 1q3r h GLU 438 N 0.36 0.88 -0.03 2.37 5.08 0.11 -2.41 114.58 120.94 1q3r h GLU 438 Ca 0.05 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1q3r h GLU 438 Cb 0.64 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1q3r h GLU 438 CO 0.05 0.85 -0.64 -0.91 -1.00 0.00 0.00 179.01 177.36 1q3r h ASN 439 N 0.77 0.16 -0.48 1.42 -0.26 -1.19 -1.71 115.58 114.28 1q3r h ASN 439 Ca 0.17 -0.10 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 1q3r h ASN 439 Cb 0.39 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 1q3r h ASN 439 CO 0.01 0.76 0.14 0.15 -1.06 0.00 0.00 177.43 177.43 1q3r h PHE 440 N 0.10 0.79 -0.45 1.19 3.57 -1.19 0.21 116.94 121.16 1q3r h PHE 440 Ca -0.01 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 1q3r h PHE 440 Cb 1.15 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1q3r h PHE 440 CO 0.01 0.70 -0.12 0.00 -2.23 0.00 0.00 178.31 176.67 1q3r h ALA 441 N 1.00 0.95 0.00 2.41 0.00 -1.30 -2.64 119.26 119.68 1q3r h ALA 441 Ca 0.16 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1q3r h ALA 441 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1q3r h ALA 441 CO -0.00 0.61 -0.45 0.22 0.00 0.00 0.00 179.25 179.63 1q3r h ASP 442 N 0.73 0.00 0.05 0.00 1.82 -0.96 -3.03 116.42 115.02 1q3r h ASP 442 Ca 0.12 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.62 1q3r h ASP 442 Cb 0.61 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1q3r h ASP 442 CO 0.04 0.45 -0.49 0.00 -1.61 0.00 0.00 179.24 177.64 1q3r h ALA 443 N 1.55 0.80 0.00 -0.78 0.00 -0.24 -3.00 119.26 117.59 1q3r h ALA 443 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1q3r h ALA 443 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1q3r h ALA 443 CO 0.06 0.67 0.03 -0.07 0.00 0.00 0.00 179.25 179.94 1q3r h LEU 444 N 0.40 0.00 0.00 0.00 3.38 -1.36 -2.78 115.31 114.95 1q3r h LEU 444 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1q3r h LEU 444 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1q3r h LEU 444 CO 0.09 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.91 1q3r n LYS 445 N -2.37 0.03 0.27 1.13 5.02 -1.13 -3.34 118.16 117.77 1q3r n LYS 445 Ca -0.02 0.15 0.10 0.00 -2.02 0.00 0.00 58.31 56.52 1q3r n LYS 445 Cb 0.07 -1.50 0.72 0.00 -0.02 0.00 0.00 35.03 34.29 1q3r n LYS 445 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1q3r h ILE 446 N 0.00 0.87 0.92 -0.18 -0.00 -1.73 -0.06 117.51 117.33 1q3r h ILE 446 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 64.81 1q3r h ILE 446 Cb 0.33 1.00 0.01 0.00 -0.00 0.00 0.00 36.82 38.16 1q3r h ILE 446 CO 0.00 0.00 -0.44 0.40 -0.00 0.00 0.00 178.15 178.11 1q3r h ILE 447 N 0.00 0.00 -0.36 0.16 1.08 -1.83 0.97 117.51 117.52 1q3r h ILE 447 Ca 0.00 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1q3r h ILE 447 Cb 0.01 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.73 1q3r h ILE 447 CO -0.00 0.00 0.16 -0.65 -0.69 0.00 0.00 178.15 176.97 1q3r h PRO 448 N -1.25 0.33 -0.68 2.37 0.11 -1.69 -1.41 132.00 129.79 1q3r h PRO 448 Ca -0.13 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.04 1q3r h PRO 448 Cb 0.95 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.92 1q3r h PRO 448 CO 0.21 0.22 0.34 -0.22 -0.21 0.00 0.00 178.00 178.34 1q3r h LYS 449 N 0.34 0.58 0.00 1.05 3.64 -0.86 -2.17 116.57 119.16 1q3r h LYS 449 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1q3r h LYS 449 Cb 0.09 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1q3r h LYS 449 CO -0.13 0.39 -0.30 0.25 -2.27 0.00 0.00 179.45 177.39 1q3r n THR 450 N -4.86 0.37 -0.06 1.00 -2.24 0.33 -0.95 114.28 107.87 1q3r n THR 450 Ca 0.10 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1q3r n THR 450 Cb 0.24 -0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1q3r n THR 450 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1q3r h LEU 451 N 0.00 0.51 -0.37 3.22 3.38 -0.66 -1.00 115.31 120.39 1q3r h LEU 451 Ca 0.00 -0.53 -0.18 0.00 0.09 0.00 0.00 57.88 57.27 1q3r h LEU 451 Cb 0.69 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1q3r h LEU 451 CO 0.00 0.94 -0.51 0.00 0.09 0.00 0.00 178.44 178.96 1q3r h ALA 452 N 0.59 0.54 0.57 1.53 0.00 -1.41 -2.95 119.26 118.13 1q3r h ALA 452 Ca 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1q3r h ALA 452 Cb 0.83 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1q3r h ALA 452 CO 0.06 0.68 -0.33 1.49 0.00 0.00 0.00 179.25 181.15 1q3r h GLU 453 N 0.64 -0.81 0.00 0.00 4.81 -1.01 -0.91 114.58 117.31 1q3r h GLU 453 Ca 0.02 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1q3r h GLU 453 Cb 1.10 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1q3r h GLU 453 CO 0.11 -0.54 0.17 -0.91 -0.73 0.00 0.00 179.01 177.11 1q3r h ASN 454 N -0.84 0.00 0.48 1.04 2.35 -1.20 0.28 115.58 117.69 1q3r h ASN 454 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1q3r h ASN 454 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1q3r h ASN 454 CO 0.09 0.00 -0.50 0.00 -1.65 0.00 0.00 177.43 175.37 1q3r n ALA 455 N -1.96 3.55 -0.89 -0.83 0.00 -0.75 -4.74 120.51 114.89 1q3r n ALA 455 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1q3r n ALA 455 Cb 0.23 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1q3r n ALA 455 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 456 N 1.49 0.58 3.95 0.00 0.00 1.00 -5.06 105.19 107.15 1q3r n GLY 456 Ca 0.06 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1q3r n GLY 456 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q3r s LEU 457 N 0.00 3.92 -0.46 0.99 1.43 -0.42 -4.99 118.68 119.15 1q3r s LEU 457 Ca 0.00 0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 53.22 1q3r s LEU 457 Cb 0.00 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1q3r s LEU 457 CO 0.00 -0.40 1.70 -0.62 0.23 0.00 0.00 176.35 177.26 1q3r s ASP 458 N -4.08 5.82 0.16 2.29 2.15 -1.26 -4.45 116.67 117.29 1q3r s ASP 458 Ca 0.42 0.79 -0.22 0.00 0.43 0.00 0.00 52.55 53.98 1q3r s ASP 458 Cb -0.10 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.05 1q3r s ASP 458 CO 0.36 -1.86 1.61 0.74 -0.17 0.00 0.00 175.17 175.86 1q3r h THR 459 N 6.71 0.32 0.22 1.71 2.02 -1.89 -0.87 112.91 121.12 1q3r h THR 459 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1q3r h THR 459 Cb 1.15 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1q3r h THR 459 CO 1.12 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 177.39 1q3r h VAL 460 N -0.22 0.58 -0.24 3.16 2.07 -1.96 -2.30 116.25 117.32 1q3r h VAL 460 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1q3r h VAL 460 Cb 0.50 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1q3r h VAL 460 CO -0.48 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 176.89 1q3r h GLU 461 N -0.43 0.36 -0.05 1.57 5.08 -1.95 -2.70 114.58 116.45 1q3r h GLU 461 Ca -0.01 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1q3r h GLU 461 Cb 0.40 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1q3r h GLU 461 CO -0.03 0.38 -0.50 0.52 -1.00 0.00 0.00 179.01 178.37 1q3r h MET 462 N 0.25 -0.59 -0.78 2.33 2.86 -1.11 -1.07 114.93 116.83 1q3r h MET 462 Ca 0.08 0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.94 1q3r h MET 462 Cb 0.15 0.13 -0.14 0.00 0.06 0.00 0.00 31.60 31.80 1q3r h MET 462 CO -0.01 -0.39 -0.07 -0.07 1.06 0.00 0.00 176.91 177.43 1q3r h LEU 463 N -0.61 -0.51 -0.67 1.22 -0.00 -1.31 0.21 115.31 113.64 1q3r h LEU 463 Ca 0.04 0.22 -0.02 0.00 -0.00 0.00 0.00 57.88 58.11 1q3r h LEU 463 Cb 0.69 0.41 -0.03 0.00 -0.00 0.00 0.00 40.66 41.73 1q3r h LEU 463 CO -0.38 -0.23 0.34 0.58 -0.00 0.00 0.00 178.44 178.76 1q3r h VAL 464 N 0.05 1.22 0.03 1.22 2.07 -1.00 -0.89 116.25 118.94 1q3r h VAL 464 Ca 0.41 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1q3r h VAL 464 Cb 0.70 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1q3r h VAL 464 CO -0.74 0.24 -0.01 0.11 0.02 0.00 0.00 177.57 177.19 1q3r h LYS 465 N 0.92 -0.03 0.21 1.57 1.57 0.28 -2.45 116.57 118.64 1q3r h LYS 465 Ca 0.23 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1q3r h LYS 465 Cb 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1q3r h LYS 465 CO -0.03 0.34 -0.25 0.28 -0.57 0.00 0.00 179.45 179.21 1q3r h VAL 466 N -0.41 0.45 -0.36 0.50 2.07 -0.59 0.22 116.25 118.13 1q3r h VAL 466 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1q3r h VAL 466 Cb 0.39 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1q3r h VAL 466 CO 0.01 0.00 0.08 0.40 0.02 0.00 0.00 177.57 178.08 1q3r h ILE 467 N -0.51 0.84 0.73 4.57 2.04 -1.25 0.61 117.51 124.55 1q3r h ILE 467 Ca 0.01 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1q3r h ILE 467 Cb 0.49 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1q3r h ILE 467 CO -0.09 0.04 -0.47 -1.28 0.00 0.00 0.00 178.15 176.35 1q3r h SER 468 N 0.21 -1.19 -0.74 1.72 0.87 -1.24 -0.08 113.55 113.08 1q3r h SER 468 Ca 0.17 0.07 0.15 0.00 -1.23 0.00 0.00 61.79 60.95 1q3r h SER 468 Cb 0.18 0.35 -0.14 0.00 -0.44 0.00 0.00 62.40 62.35 1q3r h SER 468 CO -0.21 -0.71 -0.16 -0.08 -0.53 0.00 0.00 176.83 175.15 1q3r h GLU 469 N -1.13 0.01 -0.51 2.24 4.57 -0.18 0.95 114.58 120.53 1q3r h GLU 469 Ca -0.10 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1q3r h GLU 469 Cb 0.91 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 1q3r h GLU 469 CO 0.09 0.01 0.29 1.25 -1.18 0.00 0.00 179.01 179.47 1q3r h HIS 470 N 0.01 0.55 -0.05 0.92 2.76 0.49 0.22 115.15 120.05 1q3r h HIS 470 Ca 0.37 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.57 1q3r h HIS 470 Cb 0.58 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 1q3r h HIS 470 CO -0.57 0.30 0.04 0.87 -1.30 0.00 0.00 177.93 177.28 1q3r h LYS 471 N 0.58 0.00 0.00 5.26 1.57 0.11 0.13 116.57 124.22 1q3r h LYS 471 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1q3r h LYS 471 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1q3r h LYS 471 CO -0.10 0.00 -0.50 0.09 -0.57 0.00 0.00 179.45 178.36 1q3r n ASN 472 N -4.08 1.50 0.11 0.86 3.02 -0.56 -4.59 115.26 111.51 1q3r n ASN 472 Ca -0.02 0.50 0.13 0.00 -0.03 0.00 0.00 54.58 55.16 1q3r n ASN 472 Cb 0.14 -0.78 0.42 0.00 -0.61 0.00 0.00 39.78 38.96 1q3r n ASN 472 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q3r n ARG 473 N -4.16 0.25 0.00 3.52 1.74 0.66 -5.04 116.66 113.63 1q3r n ARG 473 Ca -0.07 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1q3r n ARG 473 Cb 0.26 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1q3r n ARG 473 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q3r n GLY 474 N 1.10 -0.69 0.20 -0.13 0.00 0.44 -4.79 105.19 101.32 1q3r n GLY 474 Ca 0.05 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1q3r n GLY 474 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q3r h LEU 475 N 0.00 -0.46 -1.68 0.99 5.85 -1.97 -3.01 115.31 115.04 1q3r h LEU 475 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1q3r h LEU 475 Cb 0.00 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1q3r h LEU 475 CO 0.00 -0.21 0.36 1.23 -0.34 0.00 0.00 178.44 179.48 1q3r h GLY 476 N -0.25 0.00 -5.41 3.75 0.00 -1.93 -3.43 103.07 95.80 1q3r h GLY 476 Ca 0.06 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.84 1q3r h GLY 476 CO -0.17 0.00 1.08 -0.42 0.00 0.00 0.00 176.54 177.04 1q3r s ILE 477 N -3.94 3.66 0.00 2.60 -1.09 -1.14 0.41 121.20 121.70 1q3r s ILE 477 Ca -0.03 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 1q3r s ILE 477 Cb 0.07 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1q3r s ILE 477 CO 0.23 -0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 1q3r n GLY 478 N 4.20 4.18 3.87 6.18 0.00 -0.20 -4.32 105.19 119.09 1q3r n GLY 478 Ca 0.17 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1q3r n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3r s ILE 479 N -1.82 5.30 -0.63 -0.61 1.01 0.64 -1.19 121.20 123.90 1q3r s ILE 479 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 1q3r s ILE 479 Cb 0.00 -3.55 0.16 0.00 0.01 0.00 0.00 42.46 39.08 1q3r s ILE 479 CO 0.00 0.50 0.42 -0.62 0.00 0.00 0.00 174.94 175.24 1q3r s ASP 480 N -1.34 5.01 0.56 3.58 3.68 -0.71 -4.62 116.67 122.84 1q3r s ASP 480 Ca 0.23 -3.04 0.28 0.00 2.13 0.00 0.00 52.55 52.15 1q3r s ASP 480 Cb -0.14 -1.79 1.48 0.00 -1.45 0.00 0.00 42.92 41.02 1q3r s ASP 480 CO 0.12 -0.30 1.95 -0.37 0.13 0.00 0.00 175.17 176.70 1q3r h VAL 481 N 5.17 0.52 -0.15 1.11 -1.51 -1.91 0.51 116.25 120.00 1q3r h VAL 481 Ca -0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.28 1q3r h VAL 481 Cb 0.91 0.67 0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1q3r h VAL 481 CO 0.72 0.00 -0.61 -0.26 -1.23 0.00 0.00 177.57 176.19 1q3r h PHE 482 N 0.00 0.91 -0.01 5.19 0.04 -1.94 -3.25 116.94 117.88 1q3r h PHE 482 Ca 0.24 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1q3r h PHE 482 Cb 1.11 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1q3r h PHE 482 CO 0.00 1.19 -0.41 -1.91 -0.60 0.00 0.00 178.31 176.58 1q3r n GLU 483 N -4.09 1.14 -2.61 1.51 4.07 -0.56 -4.97 120.64 115.12 1q3r n GLU 483 Ca -0.07 -0.88 -0.17 0.00 -0.06 0.00 0.00 57.16 55.97 1q3r n GLU 483 Cb 0.66 -1.48 0.01 0.00 -0.06 0.00 0.00 31.44 30.57 1q3r n GLU 483 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1q3r n GLY 484 N 1.40 -0.28 3.40 8.31 0.00 0.17 -5.01 105.19 113.18 1q3r n GLY 484 Ca 0.10 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1q3r n GLY 484 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3r s LYS 485 N -5.16 1.21 1.14 1.61 -2.85 -1.16 -4.98 119.74 109.55 1q3r s LYS 485 Ca 0.13 -0.63 -0.13 0.00 -1.00 0.00 0.00 55.97 54.34 1q3r s LYS 485 Cb -0.06 0.53 0.24 0.00 -2.06 0.00 0.00 37.83 36.49 1q3r s LYS 485 CO 0.16 -0.51 0.88 -2.30 0.10 0.00 0.00 175.35 173.69 1q3r n PRO 486 N -0.31 -2.08 -3.61 1.78 -0.02 -1.26 -1.74 135.00 127.75 1q3r n PRO 486 Ca -0.15 -0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 60.74 1q3r n PRO 486 Cb 0.64 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 1q3r n PRO 486 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q3r s ALA 487 N -2.41 -2.24 -0.65 3.55 0.00 -0.34 -4.71 121.76 114.96 1q3r s ALA 487 Ca 0.67 1.44 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 1q3r s ALA 487 Cb -0.23 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.85 1q3r s ALA 487 CO 0.65 -0.75 1.17 0.34 0.00 0.00 0.00 175.76 177.17 1q3r s ASP 488 N -2.42 6.28 0.29 0.00 -1.08 -1.26 -1.04 116.67 117.44 1q3r s ASP 488 Ca 0.12 -0.31 0.01 0.00 -0.52 0.00 0.00 52.55 51.85 1q3r s ASP 488 Cb 0.02 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.49 1q3r s ASP 488 CO -0.04 -1.60 1.86 0.24 0.52 0.00 0.00 175.17 176.15 1q3r h MET 489 N 9.73 0.99 0.15 4.34 2.86 -0.37 -2.60 114.93 130.03 1q3r h MET 489 Ca -0.27 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1q3r h MET 489 Cb 1.06 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1q3r h MET 489 CO 1.21 0.66 -0.07 -0.07 1.06 0.00 0.00 176.91 179.70 1q3r h LEU 490 N 1.02 -0.17 -1.57 1.22 4.07 -1.80 -1.44 115.31 116.63 1q3r h LEU 490 Ca 0.46 -0.07 0.15 0.00 0.08 0.00 0.00 57.88 58.50 1q3r h LEU 490 Cb 0.38 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.12 1q3r h LEU 490 CO -0.22 -0.04 0.51 -0.33 -1.08 0.00 0.00 178.44 177.29 1q3r h GLU 491 N -0.30 0.41 -0.01 1.13 5.08 -1.85 0.13 114.58 119.17 1q3r h GLU 491 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1q3r h GLU 491 Cb 0.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1q3r h GLU 491 CO 0.03 0.27 -0.01 1.63 -1.00 0.00 0.00 179.01 179.94 1q3r n LYS 492 N -4.48 1.38 -1.27 2.33 5.02 -0.98 -4.93 118.16 115.23 1q3r n LYS 492 Ca 0.15 -0.58 -0.09 0.00 -2.02 0.00 0.00 58.31 55.76 1q3r n LYS 492 Cb 0.54 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 1q3r n LYS 492 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q3r n GLY 493 N 1.12 1.08 3.43 0.72 0.00 0.46 -4.94 105.19 107.06 1q3r n GLY 493 Ca 0.21 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1q3r n GLY 493 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3r s ILE 494 N -2.25 4.93 0.14 -0.61 1.01 -0.62 -4.74 121.20 119.07 1q3r s ILE 494 Ca 0.00 -1.89 0.05 0.00 0.00 0.00 0.00 60.65 58.81 1q3r s ILE 494 Cb 0.00 -4.74 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 1q3r s ILE 494 CO 0.00 -1.44 -0.12 0.27 0.00 0.00 0.00 174.94 173.65 1q3r s ILE 495 N 2.07 1.25 0.16 2.92 -4.36 -1.26 -1.51 121.20 120.47 1q3r s ILE 495 Ca 0.32 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1q3r s ILE 495 Cb -0.05 -1.72 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 1q3r s ILE 495 CO -0.08 -0.61 -0.02 -1.83 0.24 0.00 0.00 174.94 172.64 1q3r s GLU 496 N -3.32 1.06 0.53 0.37 -1.05 0.13 -4.42 118.70 112.01 1q3r s GLU 496 Ca 0.14 -1.50 -0.21 0.00 -0.15 0.00 0.00 54.97 53.26 1q3r s GLU 496 Cb -0.01 -0.29 -0.06 0.00 -0.44 0.00 0.00 34.13 33.34 1q3r s GLU 496 CO 0.02 -0.10 1.19 -2.14 0.95 0.00 0.00 175.26 175.18 1q3r s PRO 497 N -3.89 3.37 0.32 -4.83 0.02 -1.26 -0.10 135.00 128.63 1q3r s PRO 497 Ca 0.21 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.05 1q3r s PRO 497 Cb 0.06 -2.15 0.54 0.00 0.02 0.00 0.00 34.50 32.96 1q3r s PRO 497 CO 0.02 -0.88 1.86 1.25 -0.33 0.00 0.00 177.00 178.92 1q3r h LEU 498 N 1.44 0.58 -1.48 -5.54 6.46 -1.78 -2.61 115.31 112.38 1q3r h LEU 498 Ca -0.50 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.18 1q3r h LEU 498 Cb 1.27 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 1q3r h LEU 498 CO 0.58 0.63 0.38 -0.09 -0.62 0.00 0.00 178.44 179.31 1q3r h ARG 499 N 0.60 0.67 0.05 1.25 2.43 -1.91 -1.41 114.38 116.05 1q3r h ARG 499 Ca 0.13 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1q3r h ARG 499 Cb 0.32 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1q3r h ARG 499 CO 0.01 0.44 -0.09 0.28 -1.51 0.00 0.00 179.97 179.10 1q3r h VAL 500 N 0.69 0.79 -0.18 0.20 2.07 -1.77 -1.93 116.25 116.13 1q3r h VAL 500 Ca 0.22 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.58 1q3r h VAL 500 Cb 0.04 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1q3r h VAL 500 CO -0.06 0.00 -0.54 0.50 0.02 0.00 0.00 177.57 177.49 1q3r h LYS 501 N -0.17 0.52 -0.43 1.57 1.63 -1.54 -1.85 116.57 116.30 1q3r h LYS 501 Ca 0.02 -0.33 -0.05 0.00 -0.85 0.00 0.00 60.65 59.44 1q3r h LYS 501 Cb 0.19 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1q3r h LYS 501 CO -0.05 0.93 0.08 0.87 -3.45 0.00 0.00 179.45 177.83 1q3r h LYS 502 N 0.40 0.70 -0.22 1.90 1.57 -1.17 -2.24 116.57 117.52 1q3r h LYS 502 Ca 0.01 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.41 1q3r h LYS 502 Cb 1.08 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.31 1q3r h LYS 502 CO 0.10 0.73 -0.62 0.37 -0.57 0.00 0.00 179.45 179.45 1q3r h GLN 503 N 0.56 0.80 -0.17 3.15 5.75 -1.38 -2.25 115.11 121.57 1q3r h GLN 503 Ca 0.13 -0.58 0.05 0.00 -0.15 0.00 0.00 58.65 58.11 1q3r h GLN 503 Cb 0.36 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.94 1q3r h GLN 503 CO 0.01 1.20 -0.29 0.00 -2.65 0.00 0.00 178.83 177.09 1q3r h ALA 504 N 0.61 -0.29 -0.50 3.38 0.00 -1.26 -0.74 119.26 120.46 1q3r h ALA 504 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1q3r h ALA 504 Cb 1.24 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1q3r h ALA 504 CO 0.13 -0.75 0.30 0.82 0.00 0.00 0.00 179.25 179.75 1q3r h ILE 505 N -0.34 1.15 0.72 0.00 5.03 -1.39 -1.42 117.51 121.26 1q3r h ILE 505 Ca 0.11 -0.34 -0.03 0.00 -0.12 0.00 0.00 64.86 64.47 1q3r h ILE 505 Cb 0.52 0.48 -0.00 0.00 -3.03 0.00 0.00 36.82 34.79 1q3r h ILE 505 CO -0.37 0.16 -0.44 0.11 -0.68 0.00 0.00 178.15 176.93 1q3r h LYS 506 N 0.66 -1.04 -0.72 2.37 1.57 -0.75 -0.72 116.57 117.94 1q3r h LYS 506 Ca 0.18 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1q3r h LYS 506 Cb -0.01 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1q3r h LYS 506 CO -0.03 -0.70 0.42 0.77 -0.57 0.00 0.00 179.45 179.34 1q3r h SER 507 N -1.08 0.64 0.14 0.86 0.02 -1.19 -0.37 113.55 112.57 1q3r h SER 507 Ca -0.10 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1q3r h SER 507 Cb 0.87 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1q3r h SER 507 CO 0.10 0.42 -0.09 0.00 -1.14 0.00 0.00 176.83 176.12 1q3r h ALA 508 N 1.36 -0.21 -0.28 3.77 0.00 -1.17 -2.18 119.26 120.54 1q3r h ALA 508 Ca 0.32 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 1q3r h ALA 508 Cb 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1q3r h ALA 508 CO -0.17 -0.63 -0.52 0.66 0.00 0.00 0.00 179.25 178.59 1q3r h SER 509 N -0.22 0.90 0.03 0.00 4.64 -0.88 -1.65 113.55 116.38 1q3r h SER 509 Ca -0.01 -0.47 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 1q3r h SER 509 Cb 0.19 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1q3r h SER 509 CO 0.01 1.25 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.76 1q3r h GLU 510 N 0.64 0.23 -0.01 4.77 5.08 -1.04 0.18 114.58 124.42 1q3r h GLU 510 Ca 0.02 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1q3r h GLU 510 Cb 1.11 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.34 1q3r h GLU 510 CO 0.11 0.37 -0.49 0.00 -1.00 0.00 0.00 179.01 178.00 1q3r h ALA 511 N 1.65 0.08 -0.49 3.43 0.00 -1.32 -1.93 119.26 120.68 1q3r h ALA 511 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1q3r h ALA 511 Cb 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1q3r h ALA 511 CO 0.02 0.28 0.31 0.00 0.00 0.00 0.00 179.25 179.85 1q3r h ALA 512 N 0.32 0.63 -0.72 0.00 0.00 -0.95 -0.09 119.26 118.45 1q3r h ALA 512 Ca -0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1q3r h ALA 512 Cb 1.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1q3r h ALA 512 CO 0.10 0.02 0.21 0.82 0.00 0.00 0.00 179.25 180.40 1q3r h ILE 513 N 0.62 1.26 -0.78 0.00 2.04 -0.69 -0.79 117.51 119.17 1q3r h ILE 513 Ca 0.19 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1q3r h ILE 513 Cb -0.02 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1q3r h ILE 513 CO -0.07 0.35 0.35 -0.03 0.00 0.00 0.00 178.15 178.76 1q3r h MET 514 N 1.07 1.13 -0.08 2.37 4.05 -0.64 -2.80 114.93 120.02 1q3r h MET 514 Ca 0.23 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1q3r h MET 514 Cb 0.31 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1q3r h MET 514 CO -0.01 0.88 -0.10 0.82 0.23 0.00 0.00 176.91 178.73 1q3r h ILE 515 N 1.11 1.38 -0.04 1.77 2.04 -0.69 -3.07 117.51 120.01 1q3r h ILE 515 Ca 0.27 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1q3r h ILE 515 Cb 0.14 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1q3r h ILE 515 CO -0.03 0.36 0.09 -0.07 0.00 0.00 0.00 178.15 178.50 1q3r h LEU 516 N -0.22 0.00 0.00 1.44 4.07 -1.08 -0.74 115.31 118.78 1q3r h LEU 516 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1q3r h LEU 516 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1q3r h LEU 516 CO 0.02 0.00 -0.11 0.54 -1.08 0.00 0.00 178.44 177.82 1q3r n ARG 517 N -3.38 0.16 -2.78 1.13 1.74 -1.06 -4.81 116.66 107.66 1q3r n ARG 517 Ca -0.02 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1q3r n ARG 517 Cb 0.17 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1q3r n ARG 517 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q3r s ILE 518 N -3.07 4.84 -0.05 0.55 1.01 -0.29 -4.90 121.20 119.29 1q3r s ILE 518 Ca 0.11 1.88 0.07 0.00 0.00 0.00 0.00 60.65 62.71 1q3r s ILE 518 Cb 0.15 -4.24 0.11 0.00 0.01 0.00 0.00 42.46 38.49 1q3r s ILE 518 CO 0.60 0.04 0.99 -0.90 0.00 0.00 0.00 174.94 175.66 1q3r n ASP 519 N 4.94 1.17 -3.66 3.58 5.75 -1.26 -4.49 116.55 122.57 1q3r n ASP 519 Ca 0.07 -2.26 -0.08 0.00 -0.01 0.00 0.00 54.79 52.50 1q3r n ASP 519 Cb 0.49 -0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.27 1q3r n ASP 519 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1q3r s ASP 520 N -1.55 -0.71 -0.13 -1.12 -1.08 -1.26 -0.51 116.67 110.31 1q3r s ASP 520 Ca 0.12 1.21 0.00 0.00 -0.52 0.00 0.00 52.55 53.36 1q3r s ASP 520 Cb 0.10 1.26 0.02 0.00 -1.46 0.00 0.00 42.92 42.84 1q3r s ASP 520 CO 0.01 -0.22 -0.11 -0.69 0.52 0.00 0.00 175.17 174.68 1q3r s VAL 521 N 1.84 1.30 -0.29 1.11 1.01 0.16 -4.99 120.40 120.54 1q3r s VAL 521 Ca -0.08 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1q3r s VAL 521 Cb -0.08 -1.25 0.08 0.00 0.00 0.00 0.00 36.38 35.13 1q3r s VAL 521 CO -0.16 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.76 1q3r s ILE 522 N 1.52 1.41 -0.17 2.22 1.01 -1.26 -1.80 121.20 124.12 1q3r s ILE 522 Ca 0.03 -1.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.11 1q3r s ILE 522 Cb -0.13 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1q3r s ILE 522 CO -0.08 -0.44 0.01 0.00 0.00 0.00 0.00 174.94 174.42 1q3r s ALA 523 N 1.39 3.16 0.99 9.38 0.00 -0.52 -5.00 121.76 131.15 1q3r s ALA 523 Ca 0.04 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 1q3r s ALA 523 Cb -0.18 -1.73 0.18 0.00 0.00 0.00 0.00 23.12 21.39 1q3r s ALA 523 CO -0.14 0.14 1.14 0.00 0.00 0.00 0.00 175.76 176.91 1q3r s ALA 524 N 0.47 1.44 0.01 0.00 0.00 -1.26 -1.46 121.76 120.96 1q3r s ALA 524 Ca -0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 1q3r s ALA 524 Cb -0.14 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1q3r s ALA 524 CO 0.02 -2.65 0.98 0.21 0.00 0.00 0.00 175.76 174.32 1q3r s LYS 525 N -5.31 4.57 0.00 0.00 2.20 -1.25 -4.74 119.74 115.21 1q3r s LYS 525 Ca 0.66 1.43 0.30 0.00 -0.36 0.00 0.00 55.97 58.00 1q3r s LYS 525 Cb -0.13 -3.45 1.77 0.00 -1.51 0.00 0.00 37.83 34.51 1q3r s LYS 525 CO 0.55 -0.03 2.10 0.00 -0.36 0.00 0.00 175.35 177.61