#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3r s VAL 10 N 0.00 3.48 -0.27 3.34 1.01 -1.26 -4.79 120.40 121.92 1q3r s VAL 10 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1q3r s VAL 10 Cb 0.00 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 32.00 1q3r s VAL 10 CO 0.00 -1.20 -0.32 -0.38 0.00 0.00 0.00 175.10 173.19 1q3r n ILE 11 N 7.06 1.50 -3.84 2.22 5.41 -1.26 -4.97 119.36 125.48 1q3r n ILE 11 Ca 0.19 -0.43 -0.34 0.00 1.00 0.00 0.00 62.75 63.17 1q3r n ILE 11 Cb 0.51 -1.75 -0.05 0.00 -0.71 0.00 0.00 39.64 37.63 1q3r n ILE 11 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1q3r s LEU 12 N -7.23 4.37 0.34 1.39 1.43 -1.26 -5.07 118.68 112.65 1q3r s LEU 12 Ca -0.37 0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 1q3r s LEU 12 Cb 0.13 -2.62 -0.12 0.00 0.03 0.00 0.00 46.19 43.61 1q3r s LEU 12 CO 0.51 0.26 1.34 -2.65 0.23 0.00 0.00 176.35 176.05 1q3r n PRO 13 N 1.06 2.24 -1.78 1.29 -0.02 -1.26 -4.88 135.00 131.64 1q3r n PRO 13 Ca -0.11 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1q3r n PRO 13 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1q3r n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1q3r s GLU 14 N -1.80 4.16 0.00 -0.52 2.56 -1.26 -1.39 118.70 120.44 1q3r s GLU 14 Ca 0.56 2.48 0.00 0.00 0.00 0.00 0.00 54.97 58.01 1q3r s GLU 14 Cb -0.55 -4.00 0.00 0.00 2.00 0.00 0.00 34.13 31.58 1q3r s GLU 14 CO 0.61 -0.90 0.00 0.41 -0.56 0.00 0.00 175.26 174.83 1q3r n GLY 15 N 4.36 1.21 3.76 -1.50 0.00 -1.26 -4.96 105.19 106.80 1q3r n GLY 15 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1q3r n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3r s THR 16 N -0.98 2.90 0.14 2.61 2.01 -0.49 -4.01 115.64 117.83 1q3r s THR 16 Ca 0.00 0.89 0.07 0.00 0.31 0.00 0.00 61.69 62.96 1q3r s THR 16 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1q3r s THR 16 CO 0.00 0.21 -0.05 -1.10 -0.69 0.00 0.00 174.62 172.99 1q3r s GLN 17 N -1.57 2.28 -0.15 4.92 -0.21 0.20 -4.99 119.66 120.14 1q3r s GLN 17 Ca 0.49 -1.07 -0.20 0.00 0.02 0.00 0.00 55.36 54.60 1q3r s GLN 17 Cb -0.38 -2.33 0.05 0.00 1.00 0.00 0.00 33.01 31.35 1q3r s GLN 17 CO 0.49 0.48 0.52 0.50 -2.12 0.00 0.00 175.29 175.16 1q3r s ARG 18 N -2.63 0.68 -0.02 2.91 3.52 -1.26 -1.28 118.95 120.87 1q3r s ARG 18 Ca 0.25 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.40 1q3r s ARG 18 Cb -0.10 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 1q3r s ARG 18 CO 0.17 -0.12 -0.03 0.71 -0.81 0.00 0.00 175.30 175.22 1q3r s TYR 19 N -0.15 0.44 0.26 5.12 1.51 -0.53 -5.00 117.35 119.01 1q3r s TYR 19 Ca -0.03 -0.07 0.09 0.00 -1.01 0.00 0.00 57.07 56.04 1q3r s TYR 19 Cb -0.03 -0.41 -0.05 0.00 -0.11 0.00 0.00 41.96 41.35 1q3r s TYR 19 CO 0.02 -0.10 -0.12 0.14 -1.11 0.00 0.00 175.55 174.39 1q3r s VAL 20 N 0.57 1.94 0.00 0.71 -7.23 -1.26 -0.63 120.40 114.51 1q3r s VAL 20 Ca -0.06 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1q3r s VAL 20 Cb -0.09 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1q3r s VAL 20 CO -0.01 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1q3r n GLY 21 N -0.55 1.84 0.52 2.32 0.00 0.49 -2.15 105.19 107.66 1q3r n GLY 21 Ca -0.06 -0.35 0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 0.07 -0.29 1.61 2.43 -1.96 0.27 114.38 116.51 1q3r h ARG 22 Ca 0.00 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1q3r h ARG 22 Cb 0.00 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1q3r h ARG 22 CO 0.00 0.05 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.71 1q3r h ASP 23 N 0.07 0.81 -0.60 -3.80 3.32 -1.81 0.58 116.42 114.99 1q3r h ASP 23 Ca 0.60 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1q3r h ASP 23 Cb 2.23 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 41.52 1q3r h ASP 23 CO -0.07 1.14 0.22 0.00 -1.72 0.00 0.00 179.24 178.81 1q3r h ALA 24 N 0.69 1.20 -0.02 3.45 0.00 -0.39 -1.18 119.26 123.00 1q3r h ALA 24 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1q3r h ALA 24 Cb 0.94 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1q3r h ALA 24 CO 0.08 0.57 -0.07 1.96 0.00 0.00 0.00 179.25 181.80 1q3r h GLN 25 N 0.93 0.09 -0.37 0.00 4.20 -0.75 -1.88 115.11 117.33 1q3r h GLN 25 Ca 0.21 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.91 1q3r h GLN 25 Cb 0.22 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1q3r h GLN 25 CO -0.01 0.69 0.10 -0.09 -0.67 0.00 0.00 178.83 178.84 1q3r h ARG 26 N -0.50 0.23 0.78 1.46 2.43 0.27 -1.14 114.38 117.92 1q3r h ARG 26 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1q3r h ARG 26 Cb 0.69 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1q3r h ARG 26 CO 0.01 0.15 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.18 1q3r h LEU 27 N 0.23 -0.89 -0.62 3.80 3.38 -1.27 -1.90 115.31 118.05 1q3r h LEU 27 Ca 0.18 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1q3r h LEU 27 Cb 0.18 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1q3r h LEU 27 CO -0.21 -0.59 0.27 0.78 0.09 0.00 0.00 178.44 178.78 1q3r h ASN 28 N -1.14 0.32 -0.32 -0.43 -0.26 -1.23 -1.40 115.58 111.13 1q3r h ASN 28 Ca -0.11 0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1q3r h ASN 28 Cb 0.82 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1q3r h ASN 28 CO 0.18 0.20 0.10 0.40 -1.06 0.00 0.00 177.43 177.24 1q3r h ILE 29 N 0.48 1.21 -0.57 2.81 2.04 -1.24 -2.85 117.51 119.39 1q3r h ILE 29 Ca 0.30 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1q3r h ILE 29 Cb 0.32 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1q3r h ILE 29 CO -0.27 0.23 0.36 0.25 0.00 0.00 0.00 178.15 178.72 1q3r h LEU 30 N 0.37 0.59 -0.70 1.44 5.85 -0.78 0.19 115.31 122.27 1q3r h LEU 30 Ca 0.10 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1q3r h LEU 30 Cb 0.25 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1q3r h LEU 30 CO -0.00 0.42 0.39 0.00 -0.34 0.00 0.00 178.44 178.90 1q3r h ALA 31 N 1.23 0.95 -0.39 1.25 0.00 -1.22 0.96 119.26 122.05 1q3r h ALA 31 Ca 0.22 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1q3r h ALA 31 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1q3r h ALA 31 CO -0.08 0.05 -0.00 0.00 0.00 0.00 0.00 179.25 179.22 1q3r h ALA 32 N 1.37 0.53 -0.55 0.00 0.00 -1.13 -2.16 119.26 117.32 1q3r h ALA 32 Ca 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1q3r h ALA 32 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1q3r h ALA 32 CO -0.20 0.30 0.34 0.00 0.00 0.00 0.00 179.25 179.69 1q3r h ARG 33 N 0.52 0.74 -0.41 0.00 3.08 0.04 -1.69 114.38 116.66 1q3r h ARG 33 Ca 0.11 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1q3r h ARG 33 Cb 0.47 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1q3r h ARG 33 CO 0.02 0.53 -0.03 0.82 -1.07 0.00 0.00 179.97 180.23 1q3r h ILE 34 N 0.74 1.23 -0.32 2.04 2.04 -0.70 0.89 117.51 123.42 1q3r h ILE 34 Ca 0.20 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1q3r h ILE 34 Cb -0.03 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1q3r h ILE 34 CO -0.04 0.34 -0.05 0.40 0.00 0.00 0.00 178.15 178.79 1q3r h ILE 35 N 0.64 1.27 -0.53 -0.67 1.08 -1.12 -1.07 117.51 117.12 1q3r h ILE 35 Ca 0.12 -1.08 -0.02 0.00 -0.39 0.00 0.00 64.86 63.49 1q3r h ILE 35 Cb 0.45 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1q3r h ILE 35 CO 0.02 0.35 0.23 0.00 -0.69 0.00 0.00 178.15 178.06 1q3r h ALA 36 N 0.82 0.68 0.00 1.87 0.00 -1.04 -1.19 119.26 120.40 1q3r h ALA 36 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1q3r h ALA 36 Cb 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1q3r h ALA 36 CO 0.03 0.27 -0.05 0.93 0.00 0.00 0.00 179.25 180.42 1q3r h GLU 37 N 0.71 0.00 -0.01 0.00 5.08 -0.65 0.98 114.58 120.69 1q3r h GLU 37 Ca 0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1q3r h GLU 37 Cb 0.16 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.42 1q3r h GLU 37 CO -0.02 0.05 -0.88 1.15 -1.00 0.00 0.00 179.01 178.31 1q3r h THR 38 N 0.00 1.33 0.00 1.13 2.02 0.02 -3.34 112.91 114.06 1q3r h THR 38 Ca -0.00 -2.17 -0.04 0.00 0.77 0.00 0.00 66.41 64.97 1q3r h THR 38 Cb 0.16 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1q3r h THR 38 CO 0.01 0.66 -1.17 1.33 0.37 0.00 0.00 175.52 176.72 1q3r n VAL 39 N -3.99 0.73 -0.06 3.16 0.24 -0.90 -4.21 118.33 113.31 1q3r n VAL 39 Ca -0.11 -0.58 0.15 0.00 -2.04 0.00 0.00 64.34 61.76 1q3r n VAL 39 Cb 0.80 -0.42 0.56 0.00 -1.47 0.00 0.00 33.84 33.32 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 0.26 0.00 7.34 0.11 -0.94 0.15 114.38 121.31 1q3r h ARG 40 Ca -0.04 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1q3r h ARG 40 Cb 1.15 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1q3r h ARG 40 CO 0.01 0.17 0.00 0.25 0.10 0.00 0.00 179.97 180.50 1q3r n THR 41 N -4.45 1.40 -0.02 0.08 -2.24 -1.26 -1.34 114.28 106.45 1q3r n THR 41 Ca 0.10 0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 62.20 1q3r n THR 41 Cb 0.46 -1.28 -0.13 0.00 -2.10 0.00 0.00 70.33 67.28 1q3r n THR 41 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1q3r n THR 42 N -1.40 1.17 -1.73 4.28 5.66 0.04 -2.40 114.28 119.89 1q3r n THR 42 Ca 0.01 -0.74 -0.40 0.00 -3.05 0.00 0.00 64.05 59.88 1q3r n THR 42 Cb 0.04 -0.61 0.02 0.00 -1.55 0.00 0.00 70.33 68.23 1q3r n THR 42 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1q3r n LEU 43 N -2.79 4.78 0.00 1.09 7.94 -0.45 -4.13 117.00 123.44 1q3r n LEU 43 Ca -0.17 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1q3r n LEU 43 Cb 0.94 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1q3r n LEU 43 CO 0.44 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.84 1q3r n GLY 44 N 0.73 -1.93 0.32 -3.96 0.00 -1.26 -3.52 105.19 95.56 1q3r n GLY 44 Ca 0.07 -1.52 0.16 0.00 0.00 0.00 0.00 46.02 44.74 1q3r n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q3r h PRO 45 N 0.00 0.00 -0.15 1.61 0.13 -1.88 -0.07 132.00 131.64 1q3r h PRO 45 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1q3r h PRO 45 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1q3r h PRO 45 CO 0.00 0.00 -0.02 1.63 -0.23 0.00 0.00 178.00 179.38 1q3r n LYS 46 N -2.83 2.13 -2.78 0.86 5.02 -1.26 -3.99 118.16 115.30 1q3r n LYS 46 Ca -0.02 -2.76 -0.32 0.00 -2.02 0.00 0.00 58.31 53.18 1q3r n LYS 46 Cb 0.29 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1q3r n LYS 46 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1q3r s GLY 47 N -2.41 2.23 0.55 0.72 0.00 -0.04 -4.54 107.32 103.83 1q3r s GLY 47 Ca 0.38 0.18 0.09 0.00 0.00 0.00 0.00 44.72 45.37 1q3r s GLY 47 CO 0.05 0.43 0.70 1.06 0.00 0.00 0.00 173.10 175.34 1q3r s MET 48 N -3.47 2.37 0.28 2.90 -1.94 -1.01 -4.84 119.30 113.60 1q3r s MET 48 Ca 0.58 -1.64 0.07 0.00 -1.71 0.00 0.00 55.69 52.99 1q3r s MET 48 Cb -0.10 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1q3r s MET 48 CO 0.21 -0.73 0.28 -0.51 -0.01 0.00 0.00 175.02 174.26 1q3r s ASP 49 N -4.56 5.62 -0.02 3.03 1.01 -1.26 -4.27 116.67 116.23 1q3r s ASP 49 Ca 0.57 -0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.61 1q3r s ASP 49 Cb -0.06 -1.32 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 1q3r s ASP 49 CO 0.36 -0.18 -0.15 -0.54 0.21 0.00 0.00 175.17 174.86 1q3r s LYS 50 N -3.95 2.37 -0.26 8.23 1.02 -0.55 -4.96 119.74 121.64 1q3r s LYS 50 Ca 0.37 -0.79 -0.08 0.00 0.02 0.00 0.00 55.97 55.49 1q3r s LYS 50 Cb -0.08 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1q3r s LYS 50 CO 0.27 0.60 0.09 1.41 -0.92 0.00 0.00 175.35 176.79 1q3r s MET 51 N -0.96 3.64 -0.13 1.68 -2.45 -1.26 -2.17 119.30 117.66 1q3r s MET 51 Ca 0.13 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 54.10 1q3r s MET 51 Cb -0.11 -3.38 0.00 0.00 1.25 0.00 0.00 34.83 32.59 1q3r s MET 51 CO 0.02 -0.21 -0.20 -0.51 1.05 0.00 0.00 175.02 175.16 1q3r s LEU 52 N 1.63 2.25 -0.21 4.11 1.43 0.60 -4.96 118.68 123.52 1q3r s LEU 52 Ca 0.06 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1q3r s LEU 52 Cb -0.15 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.62 1q3r s LEU 52 CO 0.05 0.12 -0.16 -0.69 0.23 0.00 0.00 176.35 175.90 1q3r s VAL 53 N 0.59 2.22 0.07 -1.59 1.01 -1.26 0.18 120.40 121.62 1q3r s VAL 53 Ca -0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 1q3r s VAL 53 Cb -0.16 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1q3r s VAL 53 CO 0.03 0.34 0.09 -0.90 0.00 0.00 0.00 175.10 174.66 1q3r n ASP 54 N 4.58 -0.22 0.22 3.32 5.68 -0.89 -4.87 116.55 124.37 1q3r n ASP 54 Ca -0.18 -0.93 0.06 0.00 -0.50 0.00 0.00 54.79 53.23 1q3r n ASP 54 Cb 0.47 -0.07 0.50 0.00 -1.14 0.00 0.00 41.12 40.88 1q3r n ASP 54 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1q3r h SER 55 N -0.33 0.00 -0.02 -1.12 4.64 -1.98 -2.35 113.55 112.40 1q3r h SER 55 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1q3r h SER 55 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1q3r h SER 55 CO 0.02 0.22 0.00 0.18 -0.87 0.00 0.00 176.83 176.38 1q3r n LEU 56 N -4.18 1.03 0.00 5.97 4.77 -1.26 -4.91 117.00 118.42 1q3r n LEU 56 Ca -0.02 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1q3r n LEU 56 Cb 0.28 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1q3r n LEU 56 CO 0.36 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1q3r n GLY 57 N 1.11 0.77 3.75 -0.72 0.00 -0.88 -5.02 105.19 104.19 1q3r n GLY 57 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.63 6.64 -0.16 1.61 2.15 -1.26 -4.78 116.67 118.24 1q3r s ASP 58 Ca 0.00 2.69 -0.04 0.00 0.43 0.00 0.00 52.55 55.63 1q3r s ASP 58 Cb 0.00 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.97 1q3r s ASP 58 CO 0.00 -0.70 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.62 1q3r s ILE 59 N -0.09 3.84 -0.21 4.11 1.01 -1.26 -2.09 121.20 126.51 1q3r s ILE 59 Ca 0.59 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1q3r s ILE 59 Cb -0.42 -2.68 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1q3r s ILE 59 CO 0.44 0.49 -0.08 -0.69 0.00 0.00 0.00 174.94 175.11 1q3r s VAL 60 N 0.40 1.54 -0.25 2.92 1.01 0.13 -4.97 120.40 121.18 1q3r s VAL 60 Ca -0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1q3r s VAL 60 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1q3r s VAL 60 CO 0.03 0.07 0.07 -0.69 0.00 0.00 0.00 175.10 174.58 1q3r s VAL 61 N 1.42 4.27 0.15 2.92 1.01 -1.26 -0.29 120.40 128.62 1q3r s VAL 61 Ca -0.03 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1q3r s VAL 61 Cb -0.17 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1q3r s VAL 61 CO -0.07 0.32 0.69 0.28 0.00 0.00 0.00 175.10 176.32 1q3r s THR 62 N 1.60 0.00 -0.68 3.92 -1.32 -0.92 -4.69 115.64 113.55 1q3r s THR 62 Ca 0.06 -0.21 0.14 0.00 -1.21 0.00 0.00 61.69 60.47 1q3r s THR 62 Cb -0.15 -1.23 -0.14 0.00 -1.51 0.00 0.00 72.50 69.47 1q3r s THR 62 CO 0.03 0.00 0.59 -3.20 -2.21 0.00 0.00 174.62 169.84 1q3r n ASN 63 N -0.38 0.69 -4.67 8.08 2.85 -1.26 -1.48 115.26 119.10 1q3r n ASN 63 Ca -0.13 -0.85 -0.42 0.00 -0.11 0.00 0.00 54.58 53.07 1q3r n ASN 63 Cb 0.63 0.97 -0.03 0.00 1.24 0.00 0.00 39.78 42.60 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 -2.27 6.71 0.15 1.20 3.68 -1.26 -4.88 116.67 120.01 1q3r s ASP 64 Ca 0.06 2.23 -0.17 0.00 2.13 0.00 0.00 52.55 56.80 1q3r s ASP 64 Cb 0.10 -2.55 0.01 0.00 -1.45 0.00 0.00 42.92 39.03 1q3r s ASP 64 CO 0.55 -0.86 1.81 1.23 0.13 0.00 0.00 175.17 178.03 1q3r h GLY 65 N 9.43 0.54 0.89 2.66 0.00 -1.94 -1.73 103.07 112.91 1q3r h GLY 65 Ca -0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1q3r h GLY 65 CO 0.94 0.20 -0.04 0.00 0.00 0.00 0.00 176.54 177.64 1q3r h ALA 66 N 1.14 -0.10 -0.55 3.60 0.00 -1.88 -1.47 119.26 120.01 1q3r h ALA 66 Ca 0.14 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1q3r h ALA 66 Cb -0.06 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1q3r h ALA 66 CO -0.03 -0.50 0.12 1.15 0.00 0.00 0.00 179.25 179.99 1q3r h THR 67 N -0.22 0.70 0.61 0.00 2.02 -1.93 0.44 112.91 114.53 1q3r h THR 67 Ca -0.01 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1q3r h THR 67 Cb 0.18 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1q3r h THR 67 CO 0.02 0.05 -0.48 0.40 0.37 0.00 0.00 175.52 175.88 1q3r h ILE 68 N 0.26 0.00 -0.65 3.11 2.04 -1.05 0.59 117.51 121.81 1q3r h ILE 68 Ca 0.28 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.26 1q3r h ILE 68 Cb 0.39 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1q3r h ILE 68 CO -0.35 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.16 1q3r h LEU 69 N -1.05 0.36 0.02 1.44 4.07 -0.95 -0.66 115.31 118.54 1q3r h LEU 69 Ca -0.08 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 1q3r h LEU 69 Cb 0.88 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1q3r h LEU 69 CO 0.01 0.20 -0.01 -0.78 -1.08 0.00 0.00 178.44 176.79 1q3r h ASP 70 N 0.39 -0.02 -0.40 -0.43 3.58 -0.51 -3.33 116.42 115.70 1q3r h ASP 70 Ca 0.31 -0.54 -0.14 0.00 0.42 0.00 0.00 57.03 57.08 1q3r h ASP 70 Cb 0.67 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1q3r h ASP 70 CO -0.09 0.54 -0.29 0.11 -2.88 0.00 0.00 179.24 176.63 1q3r h LYS 71 N -0.58 0.93 -6.74 0.28 1.79 -0.48 -3.44 116.57 108.33 1q3r h LYS 71 Ca -0.00 -0.44 -0.52 0.00 -2.18 0.00 0.00 60.65 57.51 1q3r h LYS 71 Cb 0.56 -0.01 0.05 0.00 -1.58 0.00 0.00 32.23 31.24 1q3r h LYS 71 CO 0.00 1.10 0.69 -1.50 -1.08 0.00 0.00 179.45 178.66 1q3r s ILE 72 N -4.54 2.89 -0.96 1.86 2.07 -0.29 -4.94 121.20 117.29 1q3r s ILE 72 Ca -0.11 0.77 -0.19 0.00 -1.41 0.00 0.00 60.65 59.71 1q3r s ILE 72 Cb 0.12 -3.49 0.12 0.00 0.13 0.00 0.00 42.46 39.34 1q3r s ILE 72 CO 0.87 0.13 1.20 -0.62 -1.91 0.00 0.00 174.94 174.61 1q3r s ASP 73 N 0.19 6.64 0.54 4.50 2.15 -1.26 -4.91 116.67 124.52 1q3r s ASP 73 Ca 0.56 -2.03 -0.17 0.00 0.43 0.00 0.00 52.55 51.34 1q3r s ASP 73 Cb -0.39 -2.42 -0.06 0.00 -0.30 0.00 0.00 42.92 39.74 1q3r s ASP 73 CO 0.43 -1.10 1.02 -0.76 -0.17 0.00 0.00 175.17 174.59 1q3r s LEU 74 N 2.93 3.61 0.00 -1.34 1.43 -1.26 -5.03 118.68 119.02 1q3r s LEU 74 Ca 0.35 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1q3r s LEU 74 Cb -0.04 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1q3r s LEU 74 CO -0.09 -0.85 0.00 0.00 0.23 0.00 0.00 176.35 175.64 1q3r n GLN 75 N -1.66 0.00 -1.60 1.70 1.13 -1.26 -4.98 117.38 110.70 1q3r n GLN 75 Ca 0.08 0.00 -0.61 0.00 -1.94 0.00 0.00 57.00 54.53 1q3r n GLN 75 Cb 0.53 -0.10 -0.08 0.00 0.11 0.00 0.00 30.24 30.70 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 -1.76 1.15 -0.29 1.08 -0.00 -1.26 -4.77 115.22 109.37 1q3r n HIS 76 Ca 0.00 1.01 0.05 0.00 0.46 0.00 0.00 57.72 59.24 1q3r n HIS 76 Cb 0.00 -2.18 0.19 0.00 -0.12 0.00 0.00 29.99 27.88 1q3r n HIS 76 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1q3r h PRO 77 N 4.02 0.67 -0.97 1.57 0.13 -1.99 -1.25 132.00 134.17 1q3r h PRO 77 Ca -0.48 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1q3r h PRO 77 Cb 1.40 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1q3r h PRO 77 CO 0.78 0.44 0.63 0.00 -0.23 0.00 0.00 178.00 179.62 1q3r h ALA 78 N 1.51 1.30 -0.34 -0.56 0.00 -1.88 -0.30 119.26 118.98 1q3r h ALA 78 Ca 0.43 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1q3r h ALA 78 Cb 0.51 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1q3r h ALA 78 CO -0.31 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 179.41 1q3r h ALA 79 N 1.41 1.34 -0.45 0.00 0.00 -1.50 -2.52 119.26 117.54 1q3r h ALA 79 Ca 0.40 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1q3r h ALA 79 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1q3r h ALA 79 CO -0.14 0.45 -0.13 0.87 0.00 0.00 0.00 179.25 180.31 1q3r h LYS 80 N 0.51 0.83 -0.48 0.00 1.57 -0.56 -2.91 116.57 115.53 1q3r h LYS 80 Ca 0.11 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1q3r h LYS 80 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1q3r h LYS 80 CO 0.01 0.91 0.11 0.52 -0.57 0.00 0.00 179.45 180.44 1q3r h MET 81 N 0.74 0.72 -0.45 3.15 2.86 -0.82 -1.49 114.93 119.64 1q3r h MET 81 Ca 0.12 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1q3r h MET 81 Cb 0.63 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1q3r h MET 81 CO 0.04 0.66 0.25 1.98 1.06 0.00 0.00 176.91 180.90 1q3r h MET 82 N 0.70 0.62 -0.83 1.72 4.05 -1.34 -0.10 114.93 119.75 1q3r h MET 82 Ca 0.16 -0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.61 1q3r h MET 82 Cb 0.27 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 30.88 1q3r h MET 82 CO -0.00 0.45 0.54 0.28 0.23 0.00 0.00 176.91 178.41 1q3r h VAL 83 N 0.62 0.99 -0.80 -5.77 2.07 -1.23 -0.15 116.25 111.99 1q3r h VAL 83 Ca 0.16 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1q3r h VAL 83 Cb 0.01 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 1q3r h VAL 83 CO -0.03 0.15 0.46 -0.33 0.02 0.00 0.00 177.57 177.85 1q3r h GLU 84 N 0.83 1.09 0.09 1.57 4.39 -0.93 -0.89 114.58 120.74 1q3r h GLU 84 Ca 0.37 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.98 1q3r h GLU 84 Cb 0.35 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1q3r h GLU 84 CO -0.14 0.78 -0.15 0.28 -1.16 0.00 0.00 179.01 178.62 1q3r h VAL 85 N 1.11 0.66 -0.45 3.13 2.07 -0.96 -1.19 116.25 120.61 1q3r h VAL 85 Ca 0.29 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.74 1q3r h VAL 85 Cb -0.02 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1q3r h VAL 85 CO -0.05 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.55 1q3r h ALA 86 N 0.58 1.18 -0.36 1.67 0.00 -1.20 -1.34 119.26 119.80 1q3r h ALA 86 Ca 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1q3r h ALA 86 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1q3r h ALA 86 CO -0.08 0.54 -0.11 -0.22 0.00 0.00 0.00 179.25 179.37 1q3r h LYS 87 N 0.68 0.70 -0.25 0.00 3.64 -0.89 -1.84 116.57 118.62 1q3r h LYS 87 Ca 0.14 -0.28 -0.18 0.00 -1.27 0.00 0.00 60.65 59.06 1q3r h LYS 87 Cb 0.41 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1q3r h LYS 87 CO 0.02 0.87 -0.55 1.15 -2.27 0.00 0.00 179.45 178.66 1q3r h THR 88 N 0.49 1.29 -0.38 1.00 2.02 -1.10 -2.45 112.91 113.78 1q3r h THR 88 Ca 0.09 -1.76 0.03 0.00 0.77 0.00 0.00 66.41 65.53 1q3r h THR 88 Cb 0.63 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1q3r h THR 88 CO 0.04 0.56 0.20 -0.61 0.37 0.00 0.00 175.52 176.08 1q3r h GLN 89 N 0.57 0.39 -0.89 6.66 5.75 -1.21 -1.66 115.11 124.72 1q3r h GLN 89 Ca 0.01 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1q3r h GLN 89 Cb 1.14 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.55 1q3r h GLN 89 CO 0.12 0.26 0.59 0.22 -2.65 0.00 0.00 178.83 177.36 1q3r h ASP 90 N 0.40 1.00 0.71 -0.69 1.82 -1.18 0.26 116.42 118.76 1q3r h ASP 90 Ca 0.16 -0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.62 1q3r h ASP 90 Cb 0.05 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.80 1q3r h ASP 90 CO -0.10 0.72 -0.74 0.11 -1.61 0.00 0.00 179.24 177.62 1q3r h LYS 91 N 1.18 0.02 0.11 0.28 1.57 -1.09 -2.25 116.57 116.39 1q3r h LYS 91 Ca 0.34 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.77 1q3r h LYS 91 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1q3r h LYS 91 CO -0.09 0.75 -1.76 1.49 -0.57 0.00 0.00 179.45 179.27 1q3r h GLU 92 N 0.01 0.24 0.00 3.15 4.57 -1.07 -3.43 114.58 118.05 1q3r h GLU 92 Ca -0.01 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1q3r h GLU 92 Cb 1.31 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1q3r h GLU 92 CO 0.10 1.20 0.00 0.00 -1.18 0.00 0.00 179.01 179.12 1q3r n ALA 93 N -3.04 1.76 0.00 2.92 0.00 0.06 -5.01 120.51 117.20 1q3r n ALA 93 Ca -0.30 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1q3r n ALA 93 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 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 0.15 2.13 3.91 0.00 0.00 -0.85 -4.41 105.19 106.13 1q3r n GLY 94 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.00 3.71 0.00 1.61 -0.00 -1.26 -4.38 116.67 112.35 1q3r s ASP 95 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 52.55 53.06 1q3r s ASP 95 Cb 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 42.92 42.17 1q3r s ASP 95 CO 0.00 -2.38 0.00 0.61 -0.00 0.00 0.00 175.17 173.40 1q3r n GLY 96 N -3.52 0.75 0.19 0.21 0.00 -1.26 -4.79 105.19 96.76 1q3r n GLY 96 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 1.22 -0.20 2.61 1.35 -1.88 -1.26 112.91 114.75 1q3r h THR 97 Ca 0.00 -0.75 -0.11 0.00 -0.55 0.00 0.00 66.41 65.01 1q3r h THR 97 Cb 0.00 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1q3r h THR 97 CO 0.00 0.26 -0.33 0.74 -0.25 0.00 0.00 175.52 175.93 1q3r h THR 98 N 0.42 1.28 -0.34 6.82 2.02 -1.93 -2.82 112.91 118.36 1q3r h THR 98 Ca 0.11 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.89 1q3r h THR 98 Cb 0.30 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1q3r h THR 98 CO 0.00 0.43 0.21 0.74 0.37 0.00 0.00 175.52 177.27 1q3r h THR 99 N 0.36 1.12 -0.50 3.16 2.02 -1.88 -0.70 112.91 116.49 1q3r h THR 99 Ca 0.04 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1q3r h THR 99 Cb 0.76 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1q3r h THR 99 CO 0.06 0.12 -0.03 0.00 0.37 0.00 0.00 175.52 176.04 1q3r h ALA 100 N 1.08 0.67 -0.38 6.16 0.00 -1.14 -0.10 119.26 125.55 1q3r h ALA 100 Ca 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1q3r h ALA 100 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1q3r h ALA 100 CO -0.02 0.51 0.07 0.28 0.00 0.00 0.00 179.25 180.09 1q3r h VAL 101 N 0.76 1.24 -0.39 0.00 2.07 -1.37 -0.64 116.25 117.91 1q3r h VAL 101 Ca 0.14 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1q3r h VAL 101 Cb 0.56 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1q3r h VAL 101 CO 0.03 0.29 0.22 0.58 0.02 0.00 0.00 177.57 178.71 1q3r h VAL 102 N 0.48 1.14 -0.71 2.57 2.07 -0.99 -0.62 116.25 120.18 1q3r h VAL 102 Ca 0.12 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1q3r h VAL 102 Cb 0.35 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1q3r h VAL 102 CO 0.01 0.15 0.19 0.40 0.02 0.00 0.00 177.57 178.34 1q3r h ILE 103 N 0.51 1.26 -0.89 4.57 2.04 -0.92 -1.86 117.51 122.23 1q3r h ILE 103 Ca 0.14 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1q3r h ILE 103 Cb 0.04 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1q3r h ILE 103 CO -0.02 0.37 0.55 0.00 0.00 0.00 0.00 178.15 179.04 1q3r h ALA 104 N 1.09 1.13 0.07 1.87 0.00 -0.72 0.22 119.26 122.93 1q3r h ALA 104 Ca 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1q3r h ALA 104 Cb 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1q3r h ALA 104 CO -0.00 0.58 -0.03 0.78 0.00 0.00 0.00 179.25 180.58 1q3r h GLY 105 N 1.22 -0.09 1.21 0.00 0.00 -0.70 -2.86 103.07 101.85 1q3r h GLY 105 Ca 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1q3r h GLY 105 CO -0.06 -0.03 0.35 -2.09 0.00 0.00 0.00 176.54 174.70 1q3r h GLU 106 N -0.20 1.02 -0.37 4.80 4.57 -1.00 -1.60 114.58 121.81 1q3r h GLU 106 Ca -0.01 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1q3r h GLU 106 Cb 0.17 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1q3r h GLU 106 CO 0.02 0.79 0.15 -0.07 -1.18 0.00 0.00 179.01 178.71 1q3r h LEU 107 N 1.02 0.18 -0.58 1.64 3.38 -0.88 -0.76 115.31 119.32 1q3r h LEU 107 Ca 0.25 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1q3r h LEU 107 Cb 0.10 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1q3r h LEU 107 CO -0.03 0.14 0.31 -0.07 0.09 0.00 0.00 178.44 178.88 1q3r h LEU 108 N 0.31 0.73 -0.52 1.67 3.38 -1.22 -0.71 115.31 118.95 1q3r h LEU 108 Ca 0.16 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1q3r h LEU 108 Cb 0.12 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1q3r h LEU 108 CO -0.15 0.62 0.24 -0.09 0.09 0.00 0.00 178.44 179.15 1q3r h ARG 109 N 0.78 0.45 0.00 1.13 2.43 -0.73 -0.84 114.38 117.61 1q3r h ARG 109 Ca 0.20 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1q3r h ARG 109 Cb 0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1q3r h ARG 109 CO -0.03 0.30 -0.33 0.87 -1.51 0.00 0.00 179.97 179.27 1q3r h LYS 110 N 0.46 0.00 -0.00 0.20 1.79 -0.85 -2.78 116.57 115.39 1q3r h LYS 110 Ca 0.24 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.54 1q3r h LYS 110 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1q3r h LYS 110 CO -0.19 0.33 -0.75 0.00 -1.08 0.00 0.00 179.45 177.76 1q3r h ALA 111 N 1.67 0.74 0.00 3.86 0.00 0.16 -3.12 119.26 122.57 1q3r h ALA 111 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1q3r h ALA 111 Cb 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1q3r h ALA 111 CO 0.04 0.92 0.00 1.49 0.00 0.00 0.00 179.25 181.70 1q3r h GLU 112 N 0.03 0.00 -0.37 0.00 4.81 -0.92 0.22 114.58 118.35 1q3r h GLU 112 Ca -0.01 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1q3r h GLU 112 Cb 1.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1q3r h GLU 112 CO 0.10 0.00 -0.37 0.93 -0.73 0.00 0.00 179.01 178.94 1q3r h GLU 113 N 0.00 0.91 -0.15 1.92 5.08 -1.56 -0.36 114.58 120.41 1q3r h GLU 113 Ca 0.00 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 1q3r h GLU 113 Cb 0.60 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1q3r h GLU 113 CO 0.00 1.13 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.85 1q3r h LEU 114 N 0.73 0.46 -1.38 1.33 3.38 -1.44 -2.24 115.31 116.15 1q3r h LEU 114 Ca 0.06 -0.52 0.16 0.00 0.09 0.00 0.00 57.88 57.67 1q3r h LEU 114 Cb 0.97 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1q3r h LEU 114 CO 0.09 0.89 0.57 0.25 0.09 0.00 0.00 178.44 180.34 1q3r h LEU 115 N 0.05 0.55 -0.52 1.67 5.85 -0.52 0.35 115.31 122.74 1q3r h LEU 115 Ca 0.02 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1q3r h LEU 115 Cb 0.79 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1q3r h LEU 115 CO 0.05 0.26 -0.31 -0.78 -0.34 0.00 0.00 178.44 177.32 1q3r h ASP 116 N 0.57 0.00 0.13 1.25 1.82 -0.76 -2.61 116.42 116.82 1q3r h ASP 116 Ca 0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.09 1q3r h ASP 116 Cb 0.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1q3r h ASP 116 CO -0.19 0.31 -0.04 1.67 -1.61 0.00 0.00 179.24 179.38 1q3r n GLN 117 N -3.28 1.06 -2.22 0.28 7.27 0.05 -4.91 117.38 115.62 1q3r n GLN 117 Ca 0.01 -0.34 -0.04 0.00 0.07 0.00 0.00 57.00 56.71 1q3r n GLN 117 Cb 0.57 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.73 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 -0.68 -2.04 -4.70 1.69 5.03 -0.82 -5.02 115.26 108.72 1q3r n ASN 118 Ca 0.19 -0.02 -0.42 0.00 0.87 0.00 0.00 54.58 55.20 1q3r n ASN 118 Cb 0.24 -1.23 -0.03 0.00 -1.02 0.00 0.00 39.78 37.73 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 -2.39 4.86 0.33 2.41 -1.09 -0.91 -4.99 121.20 119.42 1q3r s ILE 119 Ca 0.02 1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 60.09 1q3r s ILE 119 Cb -0.01 -4.27 -0.12 0.00 -1.58 0.00 0.00 42.46 36.49 1q3r s ILE 119 CO 0.03 0.11 1.51 1.57 -1.23 0.00 0.00 174.94 176.92 1q3r n HIS 120 N 4.38 2.79 -0.33 3.97 -0.00 -1.26 -4.54 115.22 120.23 1q3r n HIS 120 Ca 0.06 0.37 0.17 0.00 -0.00 0.00 0.00 57.72 58.32 1q3r n HIS 120 Cb 0.50 -2.54 0.40 0.00 -0.00 0.00 0.00 29.99 28.35 1q3r n HIS 120 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1q3r h PRO 121 N 3.81 0.58 -1.00 1.57 0.11 -1.94 -0.10 132.00 135.03 1q3r h PRO 121 Ca -0.48 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1q3r h PRO 121 Cb 1.24 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1q3r h PRO 121 CO 0.71 0.38 0.66 0.66 -0.21 0.00 0.00 178.00 180.21 1q3r h SER 122 N 0.59 1.16 -0.01 -2.05 4.64 -1.94 0.23 113.55 116.17 1q3r h SER 122 Ca 0.58 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1q3r h SER 122 Cb 1.14 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1q3r h SER 122 CO -0.35 0.84 0.00 0.40 -0.87 0.00 0.00 176.83 176.85 1q3r h ILE 123 N 1.36 1.17 -0.20 0.95 2.04 -1.38 0.21 117.51 121.67 1q3r h ILE 123 Ca 0.37 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1q3r h ILE 123 Cb -0.15 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1q3r h ILE 123 CO -0.08 0.13 -0.05 0.40 0.00 0.00 0.00 178.15 178.55 1q3r h ILE 124 N -0.19 0.79 -0.98 -0.67 2.04 -1.09 0.19 117.51 117.61 1q3r h ILE 124 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1q3r h ILE 124 Cb 0.21 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1q3r h ILE 124 CO -0.00 0.00 0.63 0.74 0.00 0.00 0.00 178.15 179.52 1q3r h THR 125 N -0.01 1.08 -0.21 -0.27 2.02 -0.38 0.09 112.91 115.24 1q3r h THR 125 Ca 0.10 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.75 1q3r h THR 125 Cb 0.15 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1q3r h THR 125 CO -0.21 0.21 -0.39 0.50 0.37 0.00 0.00 175.52 175.99 1q3r h LYS 126 N 1.13 0.63 -0.80 6.66 3.64 0.17 -2.25 116.57 125.76 1q3r h LYS 126 Ca 0.42 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1q3r h LYS 126 Cb 0.18 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1q3r h LYS 126 CO -0.17 1.02 0.52 0.78 -2.27 0.00 0.00 179.45 179.34 1q3r h GLY 127 N 0.32 1.14 0.88 5.01 0.00 -0.05 -1.68 103.07 108.69 1q3r h GLY 127 Ca 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1q3r h GLY 127 CO 0.09 0.38 -0.01 -0.97 0.00 0.00 0.00 176.54 176.03 1q3r h TYR 128 N 1.05 0.56 -0.56 5.60 0.99 -0.97 -1.47 116.97 122.16 1q3r h TYR 128 Ca 0.30 -0.10 0.08 0.00 2.00 0.00 0.00 58.73 61.02 1q3r h TYR 128 Cb -0.07 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 37.48 1q3r h TYR 128 CO -0.02 0.66 0.38 0.00 -0.00 0.00 0.00 178.16 179.18 1q3r h ALA 129 N 0.83 1.98 -0.10 3.88 0.00 -1.05 0.23 119.26 125.02 1q3r h ALA 129 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1q3r h ALA 129 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1q3r h ALA 129 CO 0.02 -0.09 -0.10 -0.07 0.00 0.00 0.00 179.25 179.00 1q3r h LEU 130 N 0.42 0.26 -0.74 0.00 3.38 -0.91 -2.39 115.31 115.33 1q3r h LEU 130 Ca 0.26 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1q3r h LEU 130 Cb 0.46 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1q3r h LEU 130 CO -0.07 0.69 0.35 0.00 0.09 0.00 0.00 178.44 179.50 1q3r h ALA 131 N 0.58 0.95 -0.27 1.53 0.00 -0.27 -1.08 119.26 120.70 1q3r h ALA 131 Ca 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1q3r h ALA 131 Cb 0.62 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1q3r h ALA 131 CO 0.02 0.52 0.16 0.00 0.00 0.00 0.00 179.25 179.96 1q3r h ALA 132 N 1.17 0.35 -0.41 0.00 0.00 -0.60 0.24 119.26 120.00 1q3r h ALA 132 Ca 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1q3r h ALA 132 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1q3r h ALA 132 CO -0.03 -0.15 0.19 0.93 0.00 0.00 0.00 179.25 180.18 1q3r h GLU 133 N 0.34 0.60 -0.09 0.00 3.07 -1.24 -2.51 114.58 114.76 1q3r h GLU 133 Ca 0.10 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1q3r h GLU 133 Cb 0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1q3r h GLU 133 CO -0.02 0.54 -0.20 -0.22 -1.40 0.00 0.00 179.01 177.71 1q3r h LYS 134 N 0.52 0.14 -0.18 2.33 1.63 -0.87 -2.36 116.57 117.80 1q3r h LYS 134 Ca 0.14 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 1q3r h LYS 134 Cb 0.15 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1q3r h LYS 134 CO -0.02 0.35 -0.25 0.00 -3.45 0.00 0.00 179.45 176.09 1q3r h ALA 135 N 1.66 1.25 -0.22 5.00 0.00 -0.10 -2.19 119.26 124.65 1q3r h ALA 135 Ca 0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1q3r h ALA 135 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1q3r h ALA 135 CO 0.03 0.50 -0.59 1.96 0.00 0.00 0.00 179.25 181.15 1q3r h GLN 136 N 0.30 0.73 -0.31 0.00 1.08 -1.16 -1.73 115.11 114.02 1q3r h GLN 136 Ca 0.05 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1q3r h GLN 136 Cb 0.60 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1q3r h GLN 136 CO 0.04 1.11 0.14 0.93 -0.95 0.00 0.00 178.83 180.10 1q3r h GLU 137 N 0.55 0.45 -0.53 1.46 5.08 -1.26 -0.43 114.58 119.90 1q3r h GLU 137 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1q3r h GLU 137 Cb 1.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1q3r h GLU 137 CO 0.12 0.44 0.21 0.82 -1.00 0.00 0.00 179.01 179.60 1q3r h ILE 138 N 0.36 1.22 0.10 3.13 2.04 -1.38 -1.60 117.51 121.36 1q3r h ILE 138 Ca 0.10 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1q3r h ILE 138 Cb 0.15 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1q3r h ILE 138 CO -0.01 0.25 -0.05 -0.07 0.00 0.00 0.00 178.15 178.28 1q3r h LEU 139 N 0.71 -0.11 -1.60 1.44 3.38 -1.11 0.31 115.31 118.33 1q3r h LEU 139 Ca 0.18 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1q3r h LEU 139 Cb 0.19 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1q3r h LEU 139 CO -0.02 0.00 0.45 0.44 0.09 0.00 0.00 178.44 179.41 1q3r h ASP 140 N -0.22 0.39 0.04 -0.43 3.32 -0.97 -1.37 116.42 117.18 1q3r h ASP 140 Ca -0.01 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1q3r h ASP 140 Cb 0.18 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1q3r h ASP 140 CO 0.02 0.22 -0.63 -0.33 -1.72 0.00 0.00 179.24 176.80 1q3r h GLU 141 N 0.42 0.36 -0.08 3.56 5.08 -0.25 -3.33 114.58 120.35 1q3r h GLU 141 Ca 0.32 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1q3r h GLU 141 Cb 0.68 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1q3r h GLU 141 CO -0.10 1.13 0.00 0.44 -1.00 0.00 0.00 179.01 179.48 1q3r n ILE 142 N -4.22 0.09 -2.38 3.13 -5.35 0.98 -4.91 119.36 106.70 1q3r n ILE 142 Ca -0.11 -0.27 -0.36 0.00 -0.27 0.00 0.00 62.75 61.74 1q3r n ILE 142 Cb 0.70 0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 1q3r n ILE 142 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q3r s ALA 143 N -1.91 2.88 -0.56 -1.28 0.00 -0.53 -4.98 121.76 115.38 1q3r s ALA 143 Ca 0.36 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 1q3r s ALA 143 Cb 0.19 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 20.06 1q3r s ALA 143 CO 0.30 -0.53 0.76 0.42 0.00 0.00 0.00 175.76 176.71 1q3r s ILE 144 N -1.75 4.68 0.16 0.00 1.01 0.49 -4.90 121.20 120.88 1q3r s ILE 144 Ca 0.66 -0.44 -0.32 0.00 0.00 0.00 0.00 60.65 60.56 1q3r s ILE 144 Cb -0.23 -4.45 -0.10 0.00 0.01 0.00 0.00 42.46 37.69 1q3r s ILE 144 CO 0.27 -1.04 1.55 -0.13 0.00 0.00 0.00 174.94 175.58 1q3r s ARG 145 N 3.13 4.23 0.29 2.79 3.00 -1.26 -1.94 118.95 129.19 1q3r s ARG 145 Ca 0.18 2.33 0.03 0.00 0.00 0.00 0.00 55.73 58.27 1q3r s ARG 145 Cb -0.19 -3.17 -0.06 0.00 0.00 0.00 0.00 34.95 31.54 1q3r s ARG 145 CO 0.12 -0.59 0.06 0.54 0.00 0.00 0.00 175.30 175.43 1q3r s VAL 146 N 1.15 0.98 -0.61 3.52 0.11 0.73 -4.96 120.40 121.31 1q3r s VAL 146 Ca 0.69 -2.01 -0.27 0.00 -2.93 0.00 0.00 61.98 57.46 1q3r s VAL 146 Cb -0.43 -2.69 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1q3r s VAL 146 CO 0.31 -0.04 1.48 -0.62 -3.33 0.00 0.00 175.10 172.90 1q3r s ASP 147 N -3.41 5.95 0.56 3.54 3.68 -1.26 -4.67 116.67 121.06 1q3r s ASP 147 Ca 0.36 0.13 0.17 0.00 2.13 0.00 0.00 52.55 55.34 1q3r s ASP 147 Cb 0.08 -2.55 0.58 0.00 -1.45 0.00 0.00 42.92 39.58 1q3r s ASP 147 CO 0.14 -1.89 1.09 -2.65 0.13 0.00 0.00 175.17 171.99 1q3r n PRO 148 N 8.95 0.02 -0.02 4.34 -0.02 -1.26 0.50 135.00 147.51 1q3r n PRO 148 Ca 0.12 0.90 0.07 0.00 -2.02 0.00 0.00 63.50 62.57 1q3r n PRO 148 Cb 0.50 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 1q3r n PRO 148 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1q3r n ASP 149 N -2.83 0.62 -4.38 2.55 4.64 -1.26 -4.10 116.55 111.79 1q3r n ASP 149 Ca 0.15 0.00 -0.53 0.00 -1.38 0.00 0.00 54.79 53.03 1q3r n ASP 149 Cb 1.24 1.73 -0.09 0.00 -1.04 0.00 0.00 41.12 42.96 1q3r n ASP 149 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1q3r n ASP 150 N -2.24 1.55 -0.31 1.67 2.03 0.18 -4.85 116.55 114.57 1q3r n ASP 150 Ca -0.07 0.46 -0.04 0.00 0.52 0.00 0.00 54.79 55.65 1q3r n ASP 150 Cb 0.59 -1.13 0.08 0.00 -0.72 0.00 0.00 41.12 39.94 1q3r n ASP 150 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1q3r h GLU 151 N 11.46 1.18 -0.68 -0.67 4.81 -1.94 -1.90 114.58 126.84 1q3r h GLU 151 Ca -0.20 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1q3r h GLU 151 Cb 1.35 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1q3r h GLU 151 CO 1.07 0.87 0.36 1.49 -0.73 0.00 0.00 179.01 182.07 1q3r h GLU 152 N 1.18 0.62 0.04 1.92 4.81 -1.99 -0.40 114.58 120.76 1q3r h GLU 152 Ca 0.30 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1q3r h GLU 152 Cb 0.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1q3r h GLU 152 CO -0.05 0.41 -0.02 1.15 -0.73 0.00 0.00 179.01 179.78 1q3r h THR 153 N 0.64 1.23 -0.61 0.32 2.02 -1.90 -2.70 112.91 111.92 1q3r h THR 153 Ca 0.32 -0.88 0.14 0.00 0.77 0.00 0.00 66.41 66.76 1q3r h THR 153 Cb 0.27 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1q3r h THR 153 CO -0.22 0.22 0.42 -0.07 0.37 0.00 0.00 175.52 176.24 1q3r h LEU 154 N -0.45 0.18 -0.28 2.58 3.38 -1.00 -0.60 115.31 119.12 1q3r h LEU 154 Ca -0.01 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1q3r h LEU 154 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1q3r h LEU 154 CO 0.01 0.10 -0.65 -0.07 0.09 0.00 0.00 178.44 177.92 1q3r h LEU 155 N 0.19 0.89 -0.65 1.67 3.38 -0.97 -1.57 115.31 118.25 1q3r h LEU 155 Ca 0.29 -0.52 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1q3r h LEU 155 Cb 0.88 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1q3r h LEU 155 CO -0.05 1.31 -0.26 0.11 0.09 0.00 0.00 178.44 179.64 1q3r h LYS 156 N 0.57 0.77 -0.35 1.13 1.57 -0.85 0.15 116.57 119.57 1q3r h LYS 156 Ca -0.01 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1q3r h LYS 156 Cb 1.25 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1q3r h LYS 156 CO 0.13 0.95 0.15 0.82 -0.57 0.00 0.00 179.45 180.93 1q3r h ILE 157 N 0.66 1.18 0.08 1.86 5.03 -1.12 0.18 117.51 125.38 1q3r h ILE 157 Ca 0.08 -0.54 -0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1q3r h ILE 157 Cb 0.78 0.88 0.00 0.00 -3.03 0.00 0.00 36.82 35.45 1q3r h ILE 157 CO 0.06 0.19 -0.04 0.00 -0.68 0.00 0.00 178.15 177.69 1q3r h ALA 158 N 1.00 -0.11 -0.64 1.87 0.00 -1.06 -1.35 119.26 118.96 1q3r h ALA 158 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1q3r h ALA 158 Cb 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1q3r h ALA 158 CO -0.01 -0.47 0.35 0.00 0.00 0.00 0.00 179.25 179.12 1q3r h ALA 159 N 0.62 0.82 -0.65 0.00 0.00 -0.60 -0.93 119.26 118.51 1q3r h ALA 159 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1q3r h ALA 159 Cb 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1q3r h ALA 159 CO 0.02 0.34 0.37 1.15 0.00 0.00 0.00 179.25 181.12 1q3r h THR 160 N 0.88 1.19 -0.13 0.00 2.02 -0.59 -2.50 112.91 113.78 1q3r h THR 160 Ca 0.23 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1q3r h THR 160 Cb 0.04 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1q3r h THR 160 CO -0.04 0.21 0.00 -1.28 0.37 0.00 0.00 175.52 174.79 1q3r h SER 161 N 0.91 0.23 0.00 4.18 0.87 -0.58 -3.17 113.55 115.99 1q3r h SER 161 Ca 0.23 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1q3r h SER 161 Cb 0.01 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1q3r h SER 161 CO -0.04 0.48 -0.14 -0.38 -0.53 0.00 0.00 176.83 176.22 1q3r n ILE 162 N -4.78 2.22 -4.70 2.23 5.41 -0.42 -4.82 119.36 114.51 1q3r n ILE 162 Ca -0.06 -0.88 -0.24 0.00 1.00 0.00 0.00 62.75 62.58 1q3r n ILE 162 Cb 0.21 -1.69 -0.15 0.00 -0.71 0.00 0.00 39.64 37.30 1q3r n ILE 162 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1q3r s THR 163 N 0.70 1.33 -0.57 1.39 2.01 -1.20 -4.20 115.64 115.09 1q3r s THR 163 Ca 0.29 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1q3r s THR 163 Cb 0.14 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1q3r s THR 163 CO 0.00 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1q3r n GLY 164 N 2.43 0.42 3.28 4.40 0.00 -1.26 -4.59 105.19 109.88 1q3r n GLY 164 Ca -0.15 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.57 1.12 0.25 1.61 1.02 -1.26 -4.69 119.74 114.22 1q3r s LYS 165 Ca 0.00 -1.34 -0.08 0.00 0.02 0.00 0.00 55.97 54.56 1q3r s LYS 165 Cb 0.00 -1.00 0.42 0.00 -0.52 0.00 0.00 37.83 36.73 1q3r s LYS 165 CO 0.00 0.19 1.60 -0.97 -0.92 0.00 0.00 175.35 175.25 1q3r h ASN 166 N 3.26 -0.62 0.11 2.83 -1.24 -1.95 0.02 115.58 117.99 1q3r h ASN 166 Ca -0.40 0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1q3r h ASN 166 Cb 1.20 0.46 0.00 0.00 0.73 0.00 0.00 38.32 40.71 1q3r h ASN 166 CO 0.53 -0.26 0.00 0.00 -1.29 0.00 0.00 177.43 176.42 1q3r n ALA 167 N -3.22 1.79 0.29 1.57 0.00 -1.26 -3.94 120.51 115.74 1q3r n ALA 167 Ca 0.14 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.66 1q3r n ALA 167 Cb 0.47 -1.18 0.70 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.24 0.00 4.11 -1.15 -1.21 114.58 116.09 1q3r h GLU 168 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 1q3r h GLU 168 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1q3r h GLU 168 CO 0.00 0.00 0.17 0.77 0.07 0.00 0.00 179.01 180.02 1q3r h SER 169 N 0.00 0.19 -0.54 3.06 0.02 -1.83 -2.77 113.55 111.67 1q3r h SER 169 Ca 0.04 -0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.59 1q3r h SER 169 Cb 0.94 -0.04 -0.33 0.00 0.14 0.00 0.00 62.40 63.10 1q3r h SER 169 CO -0.00 0.13 -0.77 1.41 -1.14 0.00 0.00 176.83 176.46 1q3r n HIS 170 N -4.50 1.98 0.16 3.45 8.25 -0.46 -4.84 115.22 119.26 1q3r n HIS 170 Ca 0.02 -2.02 0.03 0.00 -0.26 0.00 0.00 57.72 55.49 1q3r n HIS 170 Cb 0.16 -0.31 0.39 0.00 1.12 0.00 0.00 29.99 31.35 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 1.92 0.12 -0.36 -0.41 2.10 -1.55 -1.81 116.57 116.58 1q3r h LYS 171 Ca 0.24 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.87 1q3r h LYS 171 Cb 1.41 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.70 1q3r h LYS 171 CO 0.54 0.35 0.22 1.49 -2.00 0.00 0.00 179.45 180.05 1q3r h GLU 172 N 0.11 0.44 0.46 0.07 4.81 -1.88 0.11 114.58 118.70 1q3r h GLU 172 Ca 0.02 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1q3r h GLU 172 Cb 0.47 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1q3r h GLU 172 CO 0.03 0.29 -0.22 1.25 -0.73 0.00 0.00 179.01 179.64 1q3r h LEU 173 N 0.46 -0.52 -0.85 1.64 5.85 -1.90 -2.50 115.31 117.48 1q3r h LEU 173 Ca 0.14 -0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1q3r h LEU 173 Cb -0.02 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1q3r h LEU 173 CO -0.05 -0.13 0.48 -0.07 -0.34 0.00 0.00 178.44 178.33 1q3r h LEU 174 N -1.00 0.64 -0.17 2.25 3.38 -1.33 0.86 115.31 119.94 1q3r h LEU 174 Ca -0.06 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1q3r h LEU 174 Cb 0.57 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1q3r h LEU 174 CO 0.10 0.33 0.08 0.00 0.09 0.00 0.00 178.44 179.04 1q3r h ALA 175 N 1.50 0.19 -0.29 1.53 0.00 -0.82 0.21 119.26 121.59 1q3r h ALA 175 Ca 0.43 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.41 1q3r h ALA 175 Cb 0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1q3r h ALA 175 CO -0.29 -0.35 -0.05 -0.22 0.00 0.00 0.00 179.25 178.34 1q3r h LYS 176 N 0.17 0.03 -0.60 0.00 3.64 -0.69 0.88 116.57 120.00 1q3r h LYS 176 Ca 0.07 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1q3r h LYS 176 Cb 0.02 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1q3r h LYS 176 CO -0.05 0.02 0.19 -0.07 -2.27 0.00 0.00 179.45 177.27 1q3r h LEU 177 N 0.03 0.83 -0.28 5.20 3.38 -0.56 -1.59 115.31 122.31 1q3r h LEU 177 Ca 0.14 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1q3r h LEU 177 Cb 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1q3r h LEU 177 CO -0.27 0.78 -0.33 0.00 0.09 0.00 0.00 178.44 178.71 1q3r h ALA 178 N 1.34 0.42 -0.05 1.53 0.00 -0.36 -2.51 119.26 119.63 1q3r h ALA 178 Ca 0.20 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1q3r h ALA 178 Cb 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1q3r h ALA 178 CO -0.01 0.46 -0.03 0.28 0.00 0.00 0.00 179.25 179.95 1q3r h VAL 179 N 0.46 1.34 -0.53 0.00 2.07 -0.71 -2.82 116.25 116.05 1q3r h VAL 179 Ca 0.04 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.59 1q3r h VAL 179 Cb 0.90 1.94 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 1q3r h VAL 179 CO 0.08 0.29 0.08 -0.33 0.02 0.00 0.00 177.57 177.71 1q3r h GLU 180 N -0.28 0.20 -0.43 1.57 5.08 -1.35 -0.82 114.58 118.55 1q3r h GLU 180 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1q3r h GLU 180 Cb 0.48 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1q3r h GLU 180 CO 0.01 0.13 0.28 0.00 -1.00 0.00 0.00 179.01 178.43 1q3r h ALA 181 N 1.43 0.54 -0.51 3.43 0.00 -1.47 -1.96 119.26 120.72 1q3r h ALA 181 Ca 0.27 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1q3r h ALA 181 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1q3r h ALA 181 CO -0.38 -0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.15 1q3r h VAL 182 N 0.58 1.26 -0.07 0.00 2.07 -1.19 -2.14 116.25 116.76 1q3r h VAL 182 Ca 0.16 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1q3r h VAL 182 Cb -0.06 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1q3r h VAL 182 CO -0.03 0.39 -0.22 0.11 0.02 0.00 0.00 177.57 177.83 1q3r h LYS 183 N 0.78 -0.30 0.27 1.57 1.79 -0.91 0.37 116.57 120.14 1q3r h LYS 183 Ca 0.15 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1q3r h LYS 183 Cb 0.53 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1q3r h LYS 183 CO 0.03 -0.20 -0.29 1.96 -1.08 0.00 0.00 179.45 179.87 1q3r h GLN 184 N -0.31 -0.58 -0.75 3.15 1.08 -1.28 -3.02 115.11 113.41 1q3r h GLN 184 Ca 0.08 0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1q3r h GLN 184 Cb 0.43 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1q3r h GLN 184 CO -0.25 -0.39 0.27 0.28 -0.95 0.00 0.00 178.83 177.79 1q3r h VAL 185 N -0.60 1.26 -1.38 -0.54 2.07 -1.25 -3.45 116.25 112.35 1q3r h VAL 185 Ca -0.01 -0.84 -0.72 0.00 0.82 0.00 0.00 66.70 65.95 1q3r h VAL 185 Cb 0.56 0.39 0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1q3r h VAL 185 CO -0.07 0.34 0.17 0.00 0.02 0.00 0.00 177.57 178.03 1q3r n ALA 186 N -2.44 -2.24 -2.81 1.67 0.00 0.13 -4.78 120.51 110.04 1q3r n ALA 186 Ca 0.06 0.54 -0.35 0.00 0.00 0.00 0.00 53.44 53.69 1q3r n ALA 186 Cb 0.20 -1.89 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 1q3r n ALA 186 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q3r s GLU 187 N 0.00 3.99 -0.11 0.00 0.41 -0.31 -4.96 118.70 117.72 1q3r s GLU 187 Ca 0.84 -0.33 -0.19 0.00 -0.41 0.00 0.00 54.97 54.88 1q3r s GLU 187 Cb -1.07 -3.28 -0.04 0.00 -1.78 0.00 0.00 34.13 27.96 1q3r s GLU 187 CO 0.53 0.22 0.51 -1.59 -0.49 0.00 0.00 175.26 174.44 1q3r s LYS 188 N 0.52 4.35 -0.30 1.61 0.00 -1.26 -1.64 119.74 123.02 1q3r s LYS 188 Ca 0.04 0.51 -0.03 0.00 0.00 0.00 0.00 55.97 56.49 1q3r s LYS 188 Cb -0.12 -3.43 0.19 0.00 0.00 0.00 0.00 37.83 34.46 1q3r s LYS 188 CO 0.01 0.15 0.71 0.21 0.00 0.00 0.00 175.35 176.43 1q3r s LYS 189 N 0.62 0.47 -0.38 1.78 2.47 -0.92 -4.97 119.74 118.81 1q3r s LYS 189 Ca 0.27 0.76 -0.00 0.00 -1.56 0.00 0.00 55.97 55.44 1q3r s LYS 189 Cb -0.15 0.41 0.00 0.00 -1.46 0.00 0.00 37.83 36.63 1q3r s LYS 189 CO 0.11 -0.58 0.31 -0.25 0.16 0.00 0.00 175.35 175.10 1q3r n ASP 190 N 5.42 -2.13 0.00 1.43 9.92 -1.26 -3.13 116.55 126.80 1q3r n ASP 190 Ca -0.01 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1q3r n ASP 190 Cb 0.52 -1.93 0.00 0.00 -0.64 0.00 0.00 41.12 39.07 1q3r n ASP 190 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q3r n GLY 191 N -1.03 0.00 3.15 0.44 0.00 -1.26 -4.85 105.19 101.64 1q3r n GLY 191 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1q3r n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q3r s LYS 192 N -0.94 2.27 0.37 1.61 2.47 -1.18 -5.01 119.74 119.33 1q3r s LYS 192 Ca 0.00 -0.69 -0.02 0.00 -1.56 0.00 0.00 55.97 53.70 1q3r s LYS 192 Cb 0.00 -1.84 -0.04 0.00 -1.46 0.00 0.00 37.83 34.49 1q3r s LYS 192 CO 0.00 0.19 0.61 0.71 0.16 0.00 0.00 175.35 177.02 1q3r s TYR 193 N 0.25 3.51 -0.06 4.03 1.51 -1.25 -2.17 117.35 123.18 1q3r s TYR 193 Ca -0.11 0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 56.46 1q3r s TYR 193 Cb -0.15 -2.05 0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1q3r s TYR 193 CO 0.05 0.03 0.12 0.08 -1.11 0.00 0.00 175.55 174.72 1q3r s VAL 194 N -2.37 -0.08 -0.17 0.71 1.01 -0.65 -4.48 120.40 114.38 1q3r s VAL 194 Ca 0.43 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 1q3r s VAL 194 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 1q3r s VAL 194 CO 0.37 0.09 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 1q3r s VAL 195 N 1.33 2.81 -0.51 2.92 1.01 -1.26 -1.17 120.40 125.54 1q3r s VAL 195 Ca -0.07 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1q3r s VAL 195 Cb -0.12 -2.21 0.12 0.00 0.00 0.00 0.00 36.38 34.17 1q3r s VAL 195 CO -0.05 0.50 0.44 -0.62 0.00 0.00 0.00 175.10 175.37 1q3r s ASP 196 N 0.91 6.05 0.00 3.32 3.68 -1.26 -4.94 116.67 124.44 1q3r s ASP 196 Ca -0.03 -1.74 0.00 0.00 2.13 0.00 0.00 52.55 52.91 1q3r s ASP 196 Cb -0.15 -2.15 0.00 0.00 -1.45 0.00 0.00 42.92 39.17 1q3r s ASP 196 CO -0.01 -0.78 0.92 0.18 0.13 0.00 0.00 175.17 175.61 1q3r n LEU 197 N 5.15 0.00 0.07 -1.34 4.32 -1.26 -1.17 117.00 122.77 1q3r n LEU 197 Ca -0.12 0.43 0.12 0.00 -0.02 0.00 0.00 56.01 56.41 1q3r n LEU 197 Cb 0.41 -0.43 0.46 0.00 -1.62 0.00 0.00 43.42 42.24 1q3r n LEU 197 CO 0.50 -0.43 0.87 0.47 -1.22 0.00 0.00 177.39 177.58 1q3r n ASP 198 N -1.42 0.46 -0.31 -1.43 10.43 -1.26 -2.36 116.55 120.66 1q3r n ASP 198 Ca 0.00 0.57 0.12 0.00 2.57 0.00 0.00 54.79 58.05 1q3r n ASP 198 Cb 0.06 -0.68 0.56 0.00 1.84 0.00 0.00 41.12 42.90 1q3r n ASP 198 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1q3r n ASN 199 N -1.96 0.95 -4.14 -2.24 3.02 -0.32 -4.65 115.26 105.92 1q3r n ASN 199 Ca 0.05 -1.46 -0.33 0.00 -0.03 0.00 0.00 54.58 52.81 1q3r n ASN 199 Cb 0.31 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.93 2.47 0.23 2.41 1.01 -0.99 0.19 121.20 124.58 1q3r s ILE 200 Ca 0.36 -1.25 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 1q3r s ILE 200 Cb 0.18 -2.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.28 1q3r s ILE 200 CO 0.29 0.17 0.67 -0.54 0.00 0.00 0.00 174.94 175.53 1q3r s LYS 201 N 1.23 4.10 -0.31 2.79 -0.14 0.67 -4.96 119.74 123.13 1q3r s LYS 201 Ca -0.02 0.70 0.02 0.00 -1.36 0.00 0.00 55.97 55.31 1q3r s LYS 201 Cb -0.17 -2.78 0.09 0.00 -1.68 0.00 0.00 37.83 33.29 1q3r s LYS 201 CO -0.06 0.36 0.02 -0.06 -0.76 0.00 0.00 175.35 174.85 1q3r s PHE 202 N -1.63 3.08 -0.19 3.18 2.99 -1.26 -0.57 117.98 123.58 1q3r s PHE 202 Ca 0.44 -2.48 -0.05 0.00 0.00 0.00 0.00 56.93 54.85 1q3r s PHE 202 Cb -0.15 -2.36 -0.03 0.00 0.00 0.00 0.00 43.02 40.49 1q3r s PHE 202 CO 0.20 -0.90 -0.01 -2.00 -0.00 0.00 0.00 175.22 172.51 1q3r s GLU 203 N 1.14 3.64 0.05 0.44 2.56 -0.72 -5.00 118.70 120.81 1q3r s GLU 203 Ca 0.06 -0.51 0.08 0.00 0.00 0.00 0.00 54.97 54.60 1q3r s GLU 203 Cb -0.19 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 32.88 1q3r s GLU 203 CO -0.11 0.09 -0.23 -1.59 -0.56 0.00 0.00 175.26 172.86 1q3r s LYS 204 N 0.79 1.52 -0.22 4.30 -2.85 -1.26 0.26 119.74 122.28 1q3r s LYS 204 Ca -0.00 -1.02 -0.05 0.00 -1.00 0.00 0.00 55.97 53.90 1q3r s LYS 204 Cb -0.14 -1.68 0.11 0.00 -2.06 0.00 0.00 37.83 34.06 1q3r s LYS 204 CO 0.02 0.43 0.42 0.21 0.10 0.00 0.00 175.35 176.53 1q3r s LYS 205 N -1.26 0.35 0.68 1.78 2.47 -0.26 -4.94 119.74 118.56 1q3r s LYS 205 Ca 0.09 0.85 -0.17 0.00 -1.56 0.00 0.00 55.97 55.18 1q3r s LYS 205 Cb -0.09 0.05 0.01 0.00 -1.46 0.00 0.00 37.83 36.33 1q3r s LYS 205 CO 0.02 -0.42 1.27 0.00 0.16 0.00 0.00 175.35 176.38 1q3r s ALA 206 N 2.61 2.26 0.00 3.13 0.00 -1.26 -3.85 121.76 124.64 1q3r s ALA 206 Ca 0.05 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1q3r s ALA 206 Cb -0.13 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1q3r s ALA 206 CO -0.14 -1.73 0.00 0.41 0.00 0.00 0.00 175.76 174.29 1q3r n GLY 207 N 0.76 3.52 7.00 0.00 0.00 0.49 -4.64 105.19 112.33 1q3r n GLY 207 Ca 0.15 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.41 0.00 -4.49 1.61 -0.58 -1.26 -1.34 120.64 113.17 1q3r n GLU 208 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1q3r n GLU 208 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 1q3r n GLU 208 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1q3r s GLY 209 N -2.47 2.09 0.52 0.62 0.00 -1.26 -3.35 107.32 103.48 1q3r s GLY 209 Ca 0.00 -2.06 0.19 0.00 0.00 0.00 0.00 44.72 42.85 1q3r s GLY 209 CO 0.00 -1.92 2.15 -2.08 0.00 0.00 0.00 173.10 171.25 1q3r h VAL 210 N 2.09 0.91 0.00 1.40 2.07 -1.87 0.04 116.25 120.89 1q3r h VAL 210 Ca -0.41 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1q3r h VAL 210 Cb 1.24 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1q3r h VAL 210 CO 0.71 0.03 0.00 1.21 0.02 0.00 0.00 177.57 179.54 1q3r n GLU 211 N -4.34 0.07 -0.07 1.57 4.07 -1.26 -1.66 120.64 119.01 1q3r n GLU 211 Ca -0.03 0.50 0.12 0.00 -0.06 0.00 0.00 57.16 57.70 1q3r n GLU 211 Cb 0.11 -1.70 0.29 0.00 -0.06 0.00 0.00 31.44 30.09 1q3r n GLU 211 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1q3r n GLU 212 N -1.84 2.09 -1.32 5.31 4.71 0.00 -4.96 120.64 124.63 1q3r n GLU 212 Ca 0.00 -1.61 -0.33 0.00 -0.01 0.00 0.00 57.16 55.22 1q3r n GLU 212 Cb 0.06 -1.46 0.10 0.00 -1.01 0.00 0.00 31.44 29.12 1q3r n GLU 212 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1q3r s SER 213 N -1.77 4.20 0.23 1.62 0.01 -0.66 -4.73 113.70 112.60 1q3r s SER 213 Ca 0.34 2.14 -0.17 0.00 1.31 0.00 0.00 55.95 59.57 1q3r s SER 213 Cb 0.20 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1q3r s SER 213 CO 0.30 -2.25 0.56 -1.83 0.41 0.00 0.00 173.24 170.44 1q3r s GLU 214 N -4.29 1.53 -0.23 12.44 -1.05 0.01 -4.98 118.70 122.12 1q3r s GLU 214 Ca 0.68 -1.00 -0.07 0.00 -0.15 0.00 0.00 54.97 54.43 1q3r s GLU 214 Cb -0.23 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 1q3r s GLU 214 CO 0.49 -0.66 0.05 -1.17 0.95 0.00 0.00 175.26 174.92 1q3r s LEU 215 N -2.93 3.41 -0.34 1.83 1.98 -1.26 0.21 118.68 121.58 1q3r s LEU 215 Ca 0.13 -0.19 -0.10 0.00 -2.89 0.00 0.00 54.13 51.08 1q3r s LEU 215 Cb -0.02 -1.90 0.01 0.00 0.66 0.00 0.00 46.19 44.94 1q3r s LEU 215 CO 0.03 0.00 0.17 -0.69 -1.89 0.00 0.00 176.35 173.97 1q3r s VAL 216 N 1.39 4.53 -0.97 1.68 1.01 0.92 -4.98 120.40 123.98 1q3r s VAL 216 Ca 0.05 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1q3r s VAL 216 Cb -0.15 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 1q3r s VAL 216 CO 0.03 -0.08 1.96 0.54 0.00 0.00 0.00 175.10 177.55 1q3r n ARG 217 N 4.98 1.81 0.00 2.72 1.74 -1.26 -2.04 116.66 124.60 1q3r n ARG 217 Ca -0.13 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 1q3r n ARG 217 Cb 0.47 -3.13 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 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 4.70 -0.70 3.05 -0.13 0.00 -1.25 -1.96 105.19 108.90 1q3r n GLY 218 Ca 0.49 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 0.64 -0.36 1.61 1.01 -0.24 -2.95 120.40 116.10 1q3r s VAL 219 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1q3r s VAL 219 Cb 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 36.38 35.85 1q3r s VAL 219 CO 0.00 -0.14 0.10 -0.69 0.00 0.00 0.00 175.10 174.37 1q3r s VAL 220 N -0.88 2.84 -0.15 2.92 1.01 -1.26 -0.81 120.40 124.07 1q3r s VAL 220 Ca -0.04 -2.03 -0.15 0.00 0.00 0.00 0.00 61.98 59.77 1q3r s VAL 220 Cb -0.07 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1q3r s VAL 220 CO 0.00 -0.53 0.34 -0.63 0.00 0.00 0.00 175.10 174.28 1q3r s ILE 221 N 1.08 5.28 -1.49 2.22 -1.09 -0.30 -4.95 121.20 121.93 1q3r s ILE 221 Ca 0.06 0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 59.03 1q3r s ILE 221 Cb -0.21 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1q3r s ILE 221 CO -0.05 0.37 2.58 -0.67 -1.23 0.00 0.00 174.94 175.94 1q3r n ASP 222 N 3.66 7.25 -1.80 3.58 2.03 -1.26 -0.57 116.55 129.44 1q3r n ASP 222 Ca -0.11 -2.80 -0.04 0.00 0.52 0.00 0.00 54.79 52.36 1q3r n ASP 222 Cb 0.52 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 1q3r n ASP 222 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1q3r n LYS 223 N 3.72 0.83 -4.14 -0.67 3.00 -1.26 -4.97 118.16 114.67 1q3r n LYS 223 Ca 0.66 -0.52 -0.09 0.00 -0.00 0.00 0.00 58.31 58.36 1q3r n LYS 223 Cb 0.28 0.29 -0.10 0.00 0.00 0.00 0.00 35.03 35.50 1q3r n LYS 223 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1q3r s GLU 224 N -2.23 0.80 -0.25 1.64 2.02 -1.26 -3.61 118.70 115.81 1q3r s GLU 224 Ca 0.03 -1.34 -0.29 0.00 0.02 0.00 0.00 54.97 53.40 1q3r s GLU 224 Cb 0.00 0.03 -0.00 0.00 0.10 0.00 0.00 34.13 34.26 1q3r s GLU 224 CO 0.02 -0.11 1.28 0.08 0.02 0.00 0.00 175.26 176.55 1q3r s VAL 225 N -3.83 4.21 0.32 2.63 1.01 -1.26 -4.48 120.40 119.01 1q3r s VAL 225 Ca 0.14 1.41 0.10 0.00 0.00 0.00 0.00 61.98 63.63 1q3r s VAL 225 Cb 0.07 -4.10 0.32 0.00 0.00 0.00 0.00 36.38 32.66 1q3r s VAL 225 CO -0.04 -0.34 1.73 -0.37 0.00 0.00 0.00 175.10 176.08 1q3r h VAL 226 N 5.77 0.54 -3.92 2.92 -1.51 -1.49 -3.41 116.25 115.15 1q3r h VAL 226 Ca -0.26 -0.20 -0.68 0.00 -1.23 0.00 0.00 66.70 64.33 1q3r h VAL 226 Cb 1.10 -0.08 -0.26 0.00 -2.13 0.00 0.00 31.29 29.91 1q3r h VAL 226 CO 1.01 0.11 -0.80 -2.28 -1.23 0.00 0.00 177.57 174.38 1q3r s HIS 227 N -5.76 2.65 0.31 5.19 2.46 -1.26 -5.02 115.29 113.86 1q3r s HIS 227 Ca -0.11 -0.38 0.33 0.00 0.47 0.00 0.00 55.06 55.37 1q3r s HIS 227 Cb 0.27 -1.66 1.55 0.00 -0.13 0.00 0.00 32.58 32.61 1q3r s HIS 227 CO 0.80 0.01 2.07 -1.00 -2.47 0.00 0.00 174.74 174.15 1q3r h PRO 228 N 5.77 0.00 -0.00 2.88 0.13 -2.00 -2.77 132.00 136.01 1q3r h PRO 228 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1q3r h PRO 228 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1q3r h PRO 228 CO 0.51 0.07 -0.22 -2.13 -0.23 0.00 0.00 178.00 175.99 1q3r n ARG 229 N -3.30 0.38 -1.75 0.86 0.63 -1.26 -4.89 116.66 107.34 1q3r n ARG 229 Ca -0.01 -0.16 -0.31 0.00 -0.92 0.00 0.00 57.85 56.46 1q3r n ARG 229 Cb 0.26 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.70 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 -2.73 3.15 0.30 -0.14 -1.94 -1.05 -4.94 119.30 111.96 1q3r s MET 230 Ca 0.20 0.76 -0.29 0.00 -1.71 0.00 0.00 55.69 54.66 1q3r s MET 230 Cb 0.19 -2.03 -0.10 0.00 2.01 0.00 0.00 34.83 34.91 1q3r s MET 230 CO 0.56 -0.90 1.12 -1.25 -0.01 0.00 0.00 175.02 174.54 1q3r s PRO 231 N -5.16 4.54 0.00 2.03 0.04 -1.26 -4.94 135.00 130.25 1q3r s PRO 231 Ca 0.57 1.82 0.26 0.00 0.04 0.00 0.00 61.00 63.69 1q3r s PRO 231 Cb -0.12 -3.09 0.69 0.00 0.04 0.00 0.00 34.50 32.01 1q3r s PRO 231 CO 0.54 0.11 1.53 1.63 0.04 0.00 0.00 177.00 180.86 1q3r n LYS 232 N 0.98 1.55 -3.72 4.56 4.76 -1.26 -4.73 118.16 120.30 1q3r n LYS 232 Ca -0.00 -1.05 -0.12 0.00 -2.87 0.00 0.00 58.31 54.27 1q3r n LYS 232 Cb 0.45 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 32.05 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 -2.17 0.41 -0.04 1.97 3.52 -1.26 -1.25 118.95 120.12 1q3r s ARG 233 Ca 0.31 0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 56.53 1q3r s ARG 233 Cb 0.20 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1q3r s ARG 233 CO 0.40 -0.10 0.03 0.08 -0.81 0.00 0.00 175.30 174.89 1q3r s VAL 234 N 0.76 0.08 0.00 7.11 1.01 -0.68 -5.01 120.40 123.67 1q3r s VAL 234 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1q3r s VAL 234 Cb -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1q3r s VAL 234 CO -0.05 0.18 0.00 -0.62 0.00 0.00 0.00 175.10 174.61 1q3r n GLU 235 N 4.89 0.00 -1.48 2.72 -0.58 -1.26 -1.80 120.64 123.13 1q3r n GLU 235 Ca -0.12 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.23 1q3r n GLU 235 Cb 0.50 -0.15 -0.02 0.00 -0.57 0.00 0.00 31.44 31.20 1q3r n GLU 235 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1q3r n ASN 236 N 0.00 7.77 -4.69 1.62 3.02 -1.25 -3.16 115.26 118.57 1q3r n ASN 236 Ca 0.00 -2.69 -0.44 0.00 -0.03 0.00 0.00 54.58 51.42 1q3r n ASN 236 Cb 0.00 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 37.59 1q3r n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q3r n ALA 237 N 3.84 1.75 -2.92 5.41 0.00 -1.03 -4.89 120.51 122.67 1q3r n ALA 237 Ca 0.72 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 54.15 1q3r n ALA 237 Cb 0.26 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.24 1q3r n ALA 237 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1q3r s LYS 238 N 0.11 2.80 -0.07 0.00 1.02 -1.26 -2.72 119.74 119.62 1q3r s LYS 238 Ca 0.71 -1.23 -0.17 0.00 0.02 0.00 0.00 55.97 55.30 1q3r s LYS 238 Cb -0.60 -3.85 -0.05 0.00 -0.52 0.00 0.00 37.83 32.81 1q3r s LYS 238 CO 0.44 -0.84 0.44 0.42 -0.92 0.00 0.00 175.35 174.89 1q3r s ILE 239 N 1.55 5.12 -0.08 2.17 1.09 0.92 -2.40 121.20 129.58 1q3r s ILE 239 Ca 0.03 0.88 0.02 0.00 -1.10 0.00 0.00 60.65 60.48 1q3r s ILE 239 Cb -0.21 -3.76 -0.02 0.00 -1.06 0.00 0.00 42.46 37.40 1q3r s ILE 239 CO 0.06 0.43 -0.14 0.00 -0.10 0.00 0.00 174.94 175.19 1q3r s ALA 240 N -0.08 2.65 -0.21 9.38 0.00 0.21 0.13 121.76 133.85 1q3r s ALA 240 Ca 0.24 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1q3r s ALA 240 Cb -0.16 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 21.95 1q3r s ALA 240 CO 0.11 0.45 -0.16 -0.51 0.00 0.00 0.00 175.76 175.65 1q3r s LEU 241 N -0.37 2.58 -0.00 0.00 1.43 -1.26 -1.32 118.68 119.75 1q3r s LEU 241 Ca 0.04 -0.92 0.06 0.00 -1.03 0.00 0.00 54.13 52.28 1q3r s LEU 241 Cb -0.12 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1q3r s LEU 241 CO 0.02 -0.08 -0.18 -0.63 0.23 0.00 0.00 176.35 175.71 1q3r s ILE 242 N 1.24 1.46 -0.60 -0.59 1.01 -0.69 -0.87 121.20 122.15 1q3r s ILE 242 Ca -0.00 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1q3r s ILE 242 Cb -0.16 -1.23 0.07 0.00 0.01 0.00 0.00 42.46 41.15 1q3r s ILE 242 CO -0.10 0.35 0.77 -0.46 0.00 0.00 0.00 174.94 175.50 1q3r n ASN 243 N 2.45 1.67 -4.71 3.58 6.94 -1.12 -1.12 115.26 122.95 1q3r n ASN 243 Ca -0.15 -1.40 -0.40 0.00 -0.02 0.00 0.00 54.58 52.60 1q3r n ASN 243 Cb 0.54 -0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.89 1q3r n ASN 243 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1q3r s GLU 244 N -0.57 4.45 0.24 -3.83 2.12 -1.11 -4.08 118.70 115.92 1q3r s GLU 244 Ca 0.07 0.95 -0.31 0.00 0.36 0.00 0.00 54.97 56.05 1q3r s GLU 244 Cb 0.05 -3.45 -0.11 0.00 0.26 0.00 0.00 34.13 30.87 1q3r s GLU 244 CO 0.07 0.04 1.64 0.00 -0.54 0.00 0.00 175.26 176.46 1q3r s ALA 245 N 0.87 3.83 -1.00 6.30 0.00 -1.26 -4.73 121.76 125.77 1q3r s ALA 245 Ca 0.39 1.54 -0.23 0.00 0.00 0.00 0.00 51.96 53.66 1q3r s ALA 245 Cb -0.18 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.30 1q3r s ALA 245 CO 0.19 -0.92 1.61 -0.51 0.00 0.00 0.00 175.76 176.13 1q3r s LEU 246 N 0.43 3.41 0.26 0.00 1.02 0.77 -4.84 118.68 119.73 1q3r s LEU 246 Ca 0.69 -1.28 -0.20 0.00 0.02 0.00 0.00 54.13 53.36 1q3r s LEU 246 Cb -0.48 -2.57 0.06 0.00 0.02 0.00 0.00 46.19 43.23 1q3r s LEU 246 CO 0.39 -1.86 0.93 -1.83 0.02 0.00 0.00 176.35 173.99 1q3r s GLU 247 N 5.54 1.65 -0.34 1.70 -1.05 -1.26 -0.76 118.70 124.18 1q3r s GLU 247 Ca 0.53 -1.04 -0.28 0.00 -0.15 0.00 0.00 54.97 54.02 1q3r s GLU 247 Cb -0.02 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.14 1q3r s GLU 247 CO -0.06 -0.77 1.71 0.08 0.95 0.00 0.00 175.26 177.17 1q3r s VAL 248 N -2.42 3.57 0.37 1.83 1.01 -1.26 -4.89 120.40 118.61 1q3r s VAL 248 Ca 0.18 0.58 -0.27 0.00 0.00 0.00 0.00 61.98 62.47 1q3r s VAL 248 Cb -0.04 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1q3r s VAL 248 CO 0.07 -0.47 1.22 -0.54 0.00 0.00 0.00 175.10 175.39 1q3r s LYS 249 N 5.45 4.19 -0.02 2.72 -0.14 -1.26 -5.06 119.74 125.63 1q3r s LYS 249 Ca 0.76 2.00 0.06 0.00 -1.36 0.00 0.00 55.97 57.43 1q3r s LYS 249 Cb -0.21 -2.87 -0.01 0.00 -1.68 0.00 0.00 37.83 33.06 1q3r s LYS 249 CO 0.33 -0.25 -0.18 0.15 -0.76 0.00 0.00 175.35 174.64 1q3r s LYS 250 N -2.04 1.54 1.03 1.68 1.02 -1.26 -5.13 119.74 116.58 1q3r s LYS 250 Ca 0.53 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.75 1q3r s LYS 250 Cb -0.35 -1.47 0.21 0.00 -0.52 0.00 0.00 37.83 35.71 1q3r s LYS 250 CO 0.45 0.38 1.08 0.95 -0.92 0.00 0.00 175.35 177.29 1q3r s THR 251 N -0.38 2.11 0.06 2.17 -4.23 -1.26 -4.94 115.64 109.17 1q3r s THR 251 Ca 0.06 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.51 1q3r s THR 251 Cb -0.08 -2.12 -0.31 0.00 1.34 0.00 0.00 72.50 71.34 1q3r s THR 251 CO -0.00 -0.05 1.09 -0.33 -0.54 0.00 0.00 174.62 174.79 1q3r h GLU 252 N -2.21 0.41 -6.55 3.99 4.39 -2.03 -3.44 114.58 109.13 1q3r h GLU 252 Ca -0.53 -0.67 -0.53 0.00 0.34 0.00 0.00 59.36 57.97 1q3r h GLU 252 Cb 1.30 0.25 0.01 0.00 -0.10 0.00 0.00 28.75 30.21 1q3r h GLU 252 CO 0.47 1.32 0.59 0.99 -1.16 0.00 0.00 179.01 181.22 1q3r s THR 253 N -2.67 3.73 0.36 1.13 2.01 -1.26 -4.95 115.64 113.98 1q3r s THR 253 Ca -0.06 1.30 -0.27 0.00 0.31 0.00 0.00 61.69 62.97 1q3r s THR 253 Cb 0.06 -3.83 -0.12 0.00 0.01 0.00 0.00 72.50 68.61 1q3r s THR 253 CO 0.91 0.13 1.14 0.47 -0.69 0.00 0.00 174.62 176.58 1q3r n ASP 254 N 3.49 1.94 -3.65 3.53 8.00 -1.26 -4.98 116.55 123.62 1q3r n ASP 254 Ca 0.08 1.14 -0.15 0.00 0.71 0.00 0.00 54.79 56.57 1q3r n ASP 254 Cb 0.45 -1.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.08 1q3r n ASP 254 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q3r s ALA 255 N -1.14 -1.32 -0.15 2.24 0.00 -1.26 -5.10 121.76 115.04 1q3r s ALA 255 Ca 0.59 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 1q3r s ALA 255 Cb -0.59 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.37 1q3r s ALA 255 CO 0.60 -0.30 0.36 0.21 0.00 0.00 0.00 175.76 176.62 1q3r s LYS 256 N -0.84 0.35 0.26 0.00 2.20 -1.26 -5.07 119.74 115.37 1q3r s LYS 256 Ca -0.09 0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 1q3r s LYS 256 Cb -0.03 -0.00 -0.09 0.00 -1.51 0.00 0.00 37.83 36.20 1q3r s LYS 256 CO 0.06 -0.14 1.29 0.42 -0.36 0.00 0.00 175.35 176.61 1q3r s ILE 257 N 1.11 3.05 -0.84 5.43 1.01 -1.26 -4.98 121.20 124.72 1q3r s ILE 257 Ca -0.07 0.95 -0.02 0.00 0.00 0.00 0.00 60.65 61.51 1q3r s ILE 257 Cb -0.08 -3.60 0.21 0.00 0.01 0.00 0.00 42.46 39.00 1q3r s ILE 257 CO -0.09 0.18 0.70 0.21 0.00 0.00 0.00 174.94 175.95 1q3r s ASN 258 N -0.12 5.80 0.15 3.58 3.84 -1.26 -5.06 114.94 121.87 1q3r s ASN 258 Ca 0.52 -3.57 -0.31 0.00 0.21 0.00 0.00 52.86 49.71 1q3r s ASN 258 Cb -0.37 -1.89 -0.10 0.00 -0.55 0.00 0.00 41.25 38.34 1q3r s ASN 258 CO 0.44 -0.21 1.71 -0.63 -2.79 0.00 0.00 177.10 175.61 1q3r s ILE 259 N -1.12 2.49 0.00 -5.21 -1.09 -1.26 -4.87 121.20 110.14 1q3r s ILE 259 Ca 0.25 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1q3r s ILE 259 Cb -0.09 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1q3r s ILE 259 CO -0.11 0.01 0.00 0.41 -1.23 0.00 0.00 174.94 174.02 1q3r n THR 260 N 4.34 0.00 -4.10 2.92 -1.04 -1.26 -5.06 114.28 110.07 1q3r n THR 260 Ca 0.16 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.05 62.01 1q3r n THR 260 Cb 0.38 0.39 -0.11 0.00 -1.82 0.00 0.00 70.33 69.16 1q3r n THR 260 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1q3r s SER 261 N -1.28 1.04 0.54 8.00 1.04 -1.26 -5.04 113.70 116.75 1q3r s SER 261 Ca 0.00 -0.66 0.27 0.00 0.48 0.00 0.00 55.95 56.04 1q3r s SER 261 Cb 0.00 0.04 1.56 0.00 0.10 0.00 0.00 66.02 67.71 1q3r s SER 261 CO 0.00 -0.24 2.15 -0.65 0.98 0.00 0.00 173.24 175.47 1q3r h PRO 262 N 4.12 0.00 0.00 4.02 0.11 -2.04 -2.39 132.00 135.83 1q3r h PRO 262 Ca -0.36 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 1q3r h PRO 262 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1q3r h PRO 262 CO 0.46 0.07 -0.23 0.38 -0.21 0.00 0.00 178.00 178.47 1q3r h ASP 263 N 0.00 0.00 0.01 -2.05 3.04 -2.02 -2.99 116.42 112.41 1q3r h ASP 263 Ca -0.00 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.70 1q3r h ASP 263 Cb 0.18 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.45 1q3r h ASP 263 CO 0.01 0.23 -0.25 1.56 -2.04 0.00 0.00 179.24 178.74 1q3r h GLN 264 N 0.00 0.39 -0.81 4.15 4.20 -1.85 -1.84 115.11 119.34 1q3r h GLN 264 Ca -0.00 -0.14 0.17 0.00 0.06 0.00 0.00 58.65 58.74 1q3r h GLN 264 Cb 0.67 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.32 1q3r h GLN 264 CO 0.03 0.62 0.32 -0.07 -0.67 0.00 0.00 178.83 179.05 1q3r h LEU 265 N 0.34 0.26 0.07 1.46 3.38 -1.66 0.02 115.31 119.18 1q3r h LEU 265 Ca 0.05 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1q3r h LEU 265 Cb 0.63 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1q3r h LEU 265 CO 0.05 0.05 -0.03 0.24 0.09 0.00 0.00 178.44 178.83 1q3r h MET 266 N 0.41 -0.09 -0.92 1.13 2.86 -1.64 -2.90 114.93 113.78 1q3r h MET 266 Ca 0.47 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 58.35 1q3r h MET 266 Cb 0.79 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1q3r h MET 266 CO -0.47 0.49 0.62 0.66 1.06 0.00 0.00 176.91 179.28 1q3r h SER 267 N -0.86 0.26 0.73 1.22 4.64 -0.89 0.41 113.55 119.06 1q3r h SER 267 Ca -0.01 0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.09 1q3r h SER 267 Cb 0.62 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1q3r h SER 267 CO 0.02 0.09 -1.31 -0.26 -0.87 0.00 0.00 176.83 174.49 1q3r h PHE 268 N 0.25 0.11 -0.34 4.77 -1.00 -1.09 -1.89 116.94 117.75 1q3r h PHE 268 Ca 0.47 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 61.04 1q3r h PHE 268 Cb 1.42 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.96 1q3r h PHE 268 CO -0.00 1.08 -0.30 -0.07 -1.61 0.00 0.00 178.31 177.41 1q3r h LEU 269 N 0.02 0.76 -0.30 1.54 3.38 -0.98 -2.31 115.31 117.41 1q3r h LEU 269 Ca -0.14 -0.30 -0.20 0.00 0.09 0.00 0.00 57.88 57.33 1q3r h LEU 269 Cb 1.89 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1q3r h LEU 269 CO 0.12 1.01 -0.71 -0.33 0.09 0.00 0.00 178.44 178.62 1q3r h GLU 270 N 0.62 0.65 -0.73 1.13 5.08 -1.04 -2.04 114.58 118.25 1q3r h GLU 270 Ca 0.07 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1q3r h GLU 270 Cb 0.82 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1q3r h GLU 270 CO 0.07 1.12 0.46 0.37 -1.00 0.00 0.00 179.01 180.03 1q3r h GLN 271 N 0.46 0.98 -0.42 2.33 5.75 -1.17 0.25 115.11 123.29 1q3r h GLN 271 Ca -0.03 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 1q3r h GLN 271 Cb 1.31 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1q3r h GLN 271 CO 0.14 0.67 -0.15 0.93 -2.65 0.00 0.00 178.83 177.77 1q3r h GLU 272 N 0.99 0.78 -0.32 1.69 5.08 -1.36 -1.52 114.58 119.92 1q3r h GLU 272 Ca 0.26 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1q3r h GLU 272 Cb -0.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1q3r h GLU 272 CO -0.05 0.88 0.21 1.49 -1.00 0.00 0.00 179.01 180.54 1q3r h GLU 273 N 0.70 0.42 -0.56 2.33 4.81 -0.53 -1.74 114.58 120.01 1q3r h GLU 273 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1q3r h GLU 273 Cb 0.64 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1q3r h GLU 273 CO 0.04 0.28 0.33 -0.22 -0.73 0.00 0.00 179.01 178.71 1q3r h LYS 274 N 0.43 0.77 -0.23 1.92 3.64 -0.23 -1.33 116.57 121.53 1q3r h LYS 274 Ca 0.12 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1q3r h LYS 274 Cb -0.05 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1q3r h LYS 274 CO -0.03 0.57 0.03 0.52 -2.27 0.00 0.00 179.45 178.28 1q3r h MET 275 N 0.76 0.11 -0.77 1.90 2.86 -0.91 0.15 114.93 119.03 1q3r h MET 275 Ca 0.20 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1q3r h MET 275 Cb 0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 1q3r h MET 275 CO -0.04 0.08 0.50 1.25 1.06 0.00 0.00 176.91 179.76 1q3r h LEU 276 N 0.12 0.85 -0.16 1.22 5.85 -1.07 -2.51 115.31 119.60 1q3r h LEU 276 Ca 0.11 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1q3r h LEU 276 Cb 0.12 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1q3r h LEU 276 CO -0.16 0.61 -0.05 0.50 -0.34 0.00 0.00 178.44 179.00 1q3r h LYS 277 N 1.01 0.33 -0.66 1.25 3.64 -0.72 -3.00 116.57 118.41 1q3r h LYS 277 Ca 0.29 -0.13 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1q3r h LYS 277 Cb -0.07 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1q3r h LYS 277 CO -0.08 0.62 0.44 -0.44 -2.27 0.00 0.00 179.45 177.72 1q3r h ASP 278 N 0.02 0.40 0.48 4.20 3.32 -0.55 0.51 116.42 124.81 1q3r h ASP 278 Ca 0.04 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1q3r h ASP 278 Cb 0.50 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1q3r h ASP 278 CO 0.02 0.23 -0.23 0.24 -1.72 0.00 0.00 179.24 177.78 1q3r h MET 279 N 0.44 -0.63 -0.59 3.56 2.86 -1.35 0.38 114.93 119.62 1q3r h MET 279 Ca 0.31 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 58.02 1q3r h MET 279 Cb 0.62 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1q3r h MET 279 CO -0.09 -0.35 0.35 0.28 1.06 0.00 0.00 176.91 178.16 1q3r h VAL 280 N -0.80 1.06 -0.52 -2.22 2.07 -1.16 -1.41 116.25 113.27 1q3r h VAL 280 Ca -0.07 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1q3r h VAL 280 Cb 0.56 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1q3r h VAL 280 CO 0.11 0.13 0.30 0.44 0.02 0.00 0.00 177.57 178.57 1q3r h ASP 281 N 0.70 0.48 -0.40 0.57 3.32 0.14 -1.48 116.42 119.75 1q3r h ASP 281 Ca 0.24 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.35 1q3r h ASP 281 Cb 0.03 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 1q3r h ASP 281 CO -0.10 0.33 0.13 -0.74 -1.72 0.00 0.00 179.24 177.14 1q3r h HIS 282 N 0.60 0.24 0.35 4.55 2.76 0.56 -2.01 115.15 122.20 1q3r h HIS 282 Ca 0.22 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1q3r h HIS 282 Cb 0.05 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 1q3r h HIS 282 CO -0.07 0.09 -0.46 0.82 -1.30 0.00 0.00 177.93 177.01 1q3r h ILE 283 N 0.29 0.10 -0.82 6.26 2.04 -0.68 -2.63 117.51 122.07 1q3r h ILE 283 Ca 0.19 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.24 1q3r h ILE 283 Cb 0.18 0.10 -0.15 0.00 -0.74 0.00 0.00 36.82 36.21 1q3r h ILE 283 CO -0.20 0.00 0.02 0.00 0.00 0.00 0.00 178.15 177.98 1q3r h ALA 284 N -0.55 0.90 0.00 1.87 0.00 -0.95 0.24 119.26 120.77 1q3r h ALA 284 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1q3r h ALA 284 Cb 0.78 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1q3r h ALA 284 CO -0.12 -0.45 0.00 1.96 0.00 0.00 0.00 179.25 180.63 1q3r h GLN 285 N 0.09 0.00 0.00 0.00 4.20 -0.98 0.19 115.11 118.61 1q3r h GLN 285 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1q3r h GLN 285 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1q3r h GLN 285 CO -0.73 0.00 -0.11 0.25 -0.67 0.00 0.00 178.83 177.57 1q3r n THR 286 N -2.41 0.36 -0.51 -0.54 -2.24 0.07 -4.90 114.28 104.12 1q3r n THR 286 Ca -0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1q3r n THR 286 Cb 0.07 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 1.38 0.75 3.75 3.38 0.00 0.67 -4.55 105.19 110.57 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 -2.32 3.49 -0.19 4.61 0.00 -1.26 -4.81 121.76 121.28 1q3r s ALA 288 Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1q3r s ALA 288 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1q3r s ALA 288 CO 0.00 -0.48 0.67 0.27 0.00 0.00 0.00 175.76 176.22 1q3r n ASN 289 N 1.90 1.38 -3.72 0.00 0.23 -1.01 -4.70 115.26 109.33 1q3r n ASN 289 Ca 0.03 -1.29 -0.14 0.00 -0.53 0.00 0.00 54.58 52.65 1q3r n ASN 289 Cb 0.43 -0.01 -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 -0.35 -0.12 -0.05 3.53 1.01 -1.09 -1.05 120.40 122.28 1q3r s VAL 290 Ca 0.02 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1q3r s VAL 290 Cb 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1q3r s VAL 290 CO 0.02 0.09 -0.11 -0.69 0.00 0.00 0.00 175.10 174.42 1q3r s VAL 291 N 1.53 0.97 -0.21 2.92 1.01 -0.19 -0.62 120.40 125.81 1q3r s VAL 291 Ca -0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1q3r s VAL 291 Cb -0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1q3r s VAL 291 CO -0.06 0.31 -0.04 -0.36 0.00 0.00 0.00 175.10 174.95 1q3r s PHE 292 N 0.49 2.97 -0.20 5.22 0.40 -0.43 -1.90 117.98 124.52 1q3r s PHE 292 Ca -0.09 -0.83 -0.04 0.00 -0.60 0.00 0.00 56.93 55.36 1q3r s PHE 292 Cb -0.13 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 1q3r s PHE 292 CO 0.02 -0.48 -0.04 0.08 0.70 0.00 0.00 175.22 175.50 1q3r s VAL 293 N 1.37 3.49 0.50 -0.44 1.01 -0.08 -1.70 120.40 124.56 1q3r s VAL 293 Ca 0.04 -0.46 0.16 0.00 0.00 0.00 0.00 61.98 61.72 1q3r s VAL 293 Cb -0.14 -2.57 0.25 0.00 0.00 0.00 0.00 36.38 33.92 1q3r s VAL 293 CO -0.02 0.44 2.11 -0.61 0.00 0.00 0.00 175.10 177.02 1q3r h GLN 294 N 7.75 0.00 0.00 2.72 4.15 -1.33 -1.16 115.11 127.24 1q3r h GLN 294 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1q3r h GLN 294 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1q3r h GLN 294 CO 0.60 0.05 0.00 1.63 -1.93 0.00 0.00 178.83 179.18 1q3r n LYS 295 N -4.43 3.87 -1.34 1.69 5.02 -1.26 -2.71 118.16 119.00 1q3r n LYS 295 Ca -0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1q3r n LYS 295 Cb 0.13 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.28 1q3r n LYS 295 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1q3r s GLY 296 N -0.13 1.60 -0.25 0.72 0.00 -1.26 -0.85 107.32 107.15 1q3r s GLY 296 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.43 1q3r s GLY 296 CO 0.00 0.27 0.16 -0.42 0.00 0.00 0.00 173.10 173.11 1q3r s ILE 297 N -3.06 -0.16 0.74 0.90 1.01 -1.26 -0.17 121.20 119.21 1q3r s ILE 297 Ca 0.63 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.64 1q3r s ILE 297 Cb -0.17 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1q3r s ILE 297 CO 0.56 -0.51 0.69 0.47 0.00 0.00 0.00 174.94 176.15 1q3r n ASP 298 N 5.28 -0.64 -0.25 3.58 8.00 0.06 -4.64 116.55 127.93 1q3r n ASP 298 Ca -0.06 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1q3r n ASP 298 Cb 0.45 -1.29 0.13 0.00 -0.02 0.00 0.00 41.12 40.39 1q3r n ASP 298 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1q3r h ASP 299 N -0.46 0.57 -0.56 -2.24 3.32 -1.99 -0.45 116.42 114.61 1q3r h ASP 299 Ca -0.46 0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.64 1q3r h ASP 299 Cb 1.34 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1q3r h ASP 299 CO 0.43 0.35 0.36 0.25 -1.72 0.00 0.00 179.24 178.91 1q3r h LEU 300 N 0.70 0.62 0.12 1.55 6.46 -1.97 -0.12 115.31 122.67 1q3r h LEU 300 Ca 0.34 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.10 1q3r h LEU 300 Cb 0.27 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1q3r h LEU 300 CO -0.22 0.45 -0.18 0.00 -0.62 0.00 0.00 178.44 177.87 1q3r h ALA 301 N 1.21 -0.31 -0.98 1.25 0.00 -1.59 -1.85 119.26 116.99 1q3r h ALA 301 Ca 0.21 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.25 1q3r h ALA 301 Cb -0.06 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1q3r h ALA 301 CO -0.06 -0.71 0.59 1.96 0.00 0.00 0.00 179.25 181.03 1q3r h GLN 302 N -0.36 0.78 -0.74 0.00 4.20 -0.74 -0.25 115.11 118.00 1q3r h GLN 302 Ca 0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1q3r h GLN 302 Cb 0.37 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1q3r h GLN 302 CO -0.09 0.52 0.33 1.25 -0.67 0.00 0.00 178.83 180.17 1q3r h HIS 303 N 0.81 1.10 -0.12 2.96 2.76 -0.28 0.12 115.15 122.48 1q3r h HIS 303 Ca 0.54 -0.07 -0.20 0.00 -2.20 0.00 0.00 60.37 58.44 1q3r h HIS 303 Cb 0.74 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1q3r h HIS 303 CO -0.02 0.82 -0.73 1.88 -1.30 0.00 0.00 177.93 178.58 1q3r h TYR 304 N 1.05 0.79 -0.72 5.26 0.05 -0.40 -1.29 116.97 121.71 1q3r h TYR 304 Ca 0.25 -0.34 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 1q3r h TYR 304 Cb 0.17 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1q3r h TYR 304 CO 0.01 1.13 0.42 -0.07 -1.05 0.00 0.00 178.16 178.60 1q3r h LEU 305 N 0.41 0.89 -0.17 3.88 -0.00 -0.81 -0.94 115.31 118.56 1q3r h LEU 305 Ca -0.04 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1q3r h LEU 305 Cb 1.33 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 1q3r h LEU 305 CO 0.14 0.71 0.10 0.00 -0.00 0.00 0.00 178.44 179.39 1q3r h ALA 306 N 1.21 0.22 0.00 1.53 0.00 -0.61 0.29 119.26 121.90 1q3r h ALA 306 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1q3r h ALA 306 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1q3r h ALA 306 CO -0.04 -0.27 -0.03 0.87 0.00 0.00 0.00 179.25 179.77 1q3r h LYS 307 N 0.20 0.00 -0.00 0.00 1.57 -0.82 0.03 116.57 117.55 1q3r h LYS 307 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1q3r h LYS 307 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1q3r h LYS 307 CO -0.01 0.03 -0.23 0.66 -0.57 0.00 0.00 179.45 179.33 1q3r n TYR 308 N -3.33 0.00 -1.10 -1.35 0.53 -0.39 -4.90 117.16 106.61 1q3r n TYR 308 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.90 56.83 1q3r n TYR 308 Cb 0.17 -0.18 -0.01 0.00 -1.03 0.00 0.00 39.34 38.28 1q3r n TYR 308 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1q3r n GLY 309 N 1.35 0.65 3.67 2.72 0.00 -0.00 -5.00 105.19 108.58 1q3r n GLY 309 Ca 0.12 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.08 5.07 0.22 -0.61 1.01 0.03 -4.61 121.20 120.22 1q3r s ILE 310 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 1q3r s ILE 310 Cb 0.00 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 1q3r s ILE 310 CO 0.00 0.16 0.97 -0.32 0.00 0.00 0.00 174.94 175.75 1q3r s MET 311 N 1.66 4.80 -0.05 2.79 -2.45 -0.22 -4.25 119.30 121.57 1q3r s MET 311 Ca 0.27 1.53 -0.05 0.00 -1.25 0.00 0.00 55.69 56.19 1q3r s MET 311 Cb -0.16 -3.29 0.02 0.00 1.25 0.00 0.00 34.83 32.65 1q3r s MET 311 CO 0.10 0.42 0.14 0.00 1.05 0.00 0.00 175.02 176.73 1q3r s ALA 312 N -0.95 -0.33 -0.02 4.11 0.00 -1.26 -1.03 121.76 122.28 1q3r s ALA 312 Ca 0.43 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1q3r s ALA 312 Cb -0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1q3r s ALA 312 CO 0.33 -0.07 -0.21 0.08 0.00 0.00 0.00 175.76 175.88 1q3r s VAL 313 N 0.18 1.66 0.46 0.00 1.01 -0.80 -1.08 120.40 121.84 1q3r s VAL 313 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1q3r s VAL 313 Cb -0.02 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1q3r s VAL 313 CO -0.00 0.47 0.10 0.00 0.00 0.00 0.00 175.10 175.67 1q3r s ARG 314 N -0.44 2.14 -1.55 2.72 1.70 -1.26 -0.90 118.95 121.36 1q3r s ARG 314 Ca 0.07 -2.13 -0.06 0.00 -0.47 0.00 0.00 55.73 53.13 1q3r s ARG 314 Cb -0.09 -1.75 0.06 0.00 -0.57 0.00 0.00 34.95 32.60 1q3r s ARG 314 CO -0.00 -0.25 0.42 0.54 -1.08 0.00 0.00 175.30 174.94 1q3r n ARG 315 N -1.24 -2.52 -2.71 3.89 3.00 -0.03 -4.88 116.66 112.17 1q3r n ARG 315 Ca -0.08 0.30 -0.41 0.00 -0.01 0.00 0.00 57.85 57.65 1q3r n ARG 315 Cb 0.66 -4.46 -0.04 0.00 0.00 0.00 0.00 32.46 28.61 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 -3.84 4.44 0.36 1.55 1.01 -0.69 -4.91 120.40 118.31 1q3r s VAL 316 Ca 0.25 2.03 -0.27 0.00 0.00 0.00 0.00 61.98 63.99 1q3r s VAL 316 Cb -0.14 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.83 1q3r s VAL 316 CO 0.93 0.31 1.14 0.29 0.00 0.00 0.00 175.10 177.78 1q3r n LYS 317 N 2.75 1.70 -0.24 2.72 5.02 -1.26 -4.43 118.16 124.41 1q3r n LYS 317 Ca 0.02 0.60 0.04 0.00 -2.02 0.00 0.00 58.31 56.95 1q3r n LYS 317 Cb 0.49 -2.13 0.16 0.00 -0.02 0.00 0.00 35.03 33.53 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 2.08 0.34 0.00 1.97 1.63 -1.94 0.18 116.57 120.82 1q3r h LYS 318 Ca -0.44 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.28 1q3r h LYS 318 Cb 1.31 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1q3r h LYS 318 CO 0.60 0.22 -0.26 0.66 -3.45 0.00 0.00 179.45 177.23 1q3r h SER 319 N 0.35 0.00 0.83 4.20 4.64 -2.01 -2.59 113.55 118.97 1q3r h SER 319 Ca 0.38 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.53 1q3r h SER 319 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1q3r h SER 319 CO -0.42 0.26 -0.81 0.44 -0.87 0.00 0.00 176.83 175.42 1q3r h ASP 320 N 0.00 0.00 -0.47 4.97 3.45 -1.05 -2.65 116.42 120.66 1q3r h ASP 320 Ca -0.00 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 1q3r h ASP 320 Cb 0.65 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.40 1q3r h ASP 320 CO 0.03 0.81 -0.07 0.24 -1.57 0.00 0.00 179.24 178.68 1q3r h MET 321 N 0.00 0.93 -0.56 3.56 2.86 -0.79 -2.18 114.93 118.75 1q3r h MET 321 Ca -0.01 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.21 1q3r h MET 321 Cb 1.44 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 1q3r h MET 321 CO 0.11 0.97 -0.09 0.93 1.06 0.00 0.00 176.91 179.89 1q3r h GLU 322 N 0.84 1.05 -0.39 1.72 5.08 -1.41 -1.81 114.58 119.67 1q3r h GLU 322 Ca 0.14 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1q3r h GLU 322 Cb 0.60 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1q3r h GLU 322 CO 0.04 1.07 -0.01 0.87 -1.00 0.00 0.00 179.01 179.98 1q3r h LYS 323 N 0.94 0.69 -0.82 2.33 1.57 -1.35 -1.84 116.57 118.09 1q3r h LYS 323 Ca 0.15 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1q3r h LYS 323 Cb 0.66 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1q3r h LYS 323 CO 0.05 0.79 0.52 -0.07 -0.57 0.00 0.00 179.45 180.17 1q3r h LEU 324 N 0.52 0.85 0.27 2.94 3.38 -1.28 0.10 115.31 122.09 1q3r h LEU 324 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1q3r h LEU 324 Cb 0.49 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1q3r h LEU 324 CO 0.02 0.58 -0.17 0.00 0.09 0.00 0.00 178.44 178.96 1q3r h ALA 325 N 1.35 -0.41 -0.04 1.53 0.00 -1.03 -0.13 119.26 120.53 1q3r h ALA 325 Ca 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1q3r h ALA 325 Cb 0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1q3r h ALA 325 CO -0.13 -0.74 -0.21 0.87 0.00 0.00 0.00 179.25 179.04 1q3r h LYS 326 N -0.42 0.06 0.04 0.00 1.57 -0.85 0.16 116.57 117.13 1q3r h LYS 326 Ca -0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1q3r h LYS 326 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1q3r h LYS 326 CO 0.03 0.27 -0.02 0.00 -0.57 0.00 0.00 179.45 179.16 1q3r h ALA 327 N 1.74 -0.06 0.00 3.86 0.00 -0.60 0.30 119.26 124.50 1q3r h ALA 327 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q3r h ALA 327 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1q3r h ALA 327 CO 0.03 -0.07 0.00 1.79 0.00 0.00 0.00 179.25 181.00 1q3r h THR 328 N -1.00 0.00 0.00 0.00 1.35 -1.07 -3.33 112.91 108.86 1q3r h THR 328 Ca -0.01 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1q3r h THR 328 Cb 0.33 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1q3r h THR 328 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1q3r n GLY 329 N 0.92 3.32 3.49 5.82 0.00 0.04 0.06 105.19 118.83 1q3r n GLY 329 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1q3r n GLY 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r n ALA 330 N -1.33 -1.20 -3.30 4.61 0.00 -1.22 -4.73 120.51 113.35 1q3r n ALA 330 Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1q3r n ALA 330 Cb 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 19.45 17.42 1q3r n ALA 330 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1q3r s LYS 331 N -2.64 3.35 0.24 0.00 1.02 -0.47 -4.52 119.74 116.73 1q3r s LYS 331 Ca 0.68 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 1q3r s LYS 331 Cb -0.38 -2.74 -0.10 0.00 -0.52 0.00 0.00 37.83 34.09 1q3r s LYS 331 CO 0.56 0.05 1.45 0.42 -0.92 0.00 0.00 175.35 176.91 1q3r s ILE 332 N 0.77 2.66 -0.11 2.17 1.01 -1.26 -4.48 121.20 121.95 1q3r s ILE 332 Ca -0.04 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.18 1q3r s ILE 332 Cb -0.15 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1q3r s ILE 332 CO 0.01 0.08 -0.23 -0.69 0.00 0.00 0.00 174.94 174.11 1q3r s VAL 333 N 0.14 2.09 0.03 2.92 1.01 -0.05 -5.02 120.40 121.52 1q3r s VAL 333 Ca 0.61 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 1q3r s VAL 333 Cb -0.42 -1.81 -0.17 0.00 0.00 0.00 0.00 36.38 33.98 1q3r s VAL 333 CO 0.42 0.56 1.36 0.74 0.00 0.00 0.00 175.10 178.17 1q3r h THR 334 N 5.73 0.43 -3.14 3.92 2.02 -1.95 -2.98 112.91 116.95 1q3r h THR 334 Ca -0.23 -0.30 -0.66 0.00 0.77 0.00 0.00 66.41 65.99 1q3r h THR 334 Cb 1.23 0.55 -0.13 0.00 -1.74 0.00 0.00 68.15 68.05 1q3r h THR 334 CO 0.50 0.05 -0.57 0.20 0.37 0.00 0.00 175.52 176.06 1q3r s ASN 335 N -4.71 5.60 0.30 4.18 0.02 -1.26 -2.73 114.94 116.34 1q3r s ASN 335 Ca -0.15 0.20 0.06 0.00 -1.02 0.00 0.00 52.86 51.94 1q3r s ASN 335 Cb 0.03 -1.76 0.76 0.00 0.02 0.00 0.00 41.25 40.30 1q3r s ASN 335 CO 0.55 0.33 1.74 0.58 0.02 0.00 0.00 177.10 180.31 1q3r h VAL 336 N 4.33 0.59 -0.97 1.60 2.07 -1.91 0.18 116.25 122.14 1q3r h VAL 336 Ca -0.48 -0.20 0.22 0.00 0.82 0.00 0.00 66.70 67.06 1q3r h VAL 336 Cb 1.20 -0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1q3r h VAL 336 CO 0.60 0.11 0.63 0.50 0.02 0.00 0.00 177.57 179.42 1q3r h LYS 337 N 0.59 0.48 -0.09 1.57 3.64 -1.94 0.26 116.57 121.07 1q3r h LYS 337 Ca 0.58 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1q3r h LYS 337 Cb 1.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1q3r h LYS 337 CO -0.45 0.31 0.00 -0.25 -2.27 0.00 0.00 179.45 176.79 1q3r n ASP 338 N -4.60 1.41 -4.70 4.20 8.00 0.05 -4.90 116.55 116.01 1q3r n ASP 338 Ca 0.22 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 1q3r n ASP 338 Cb 0.73 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 1q3r n ASP 338 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1q3r s LEU 339 N -1.76 4.34 0.22 0.64 0.20 0.08 -5.02 118.68 117.38 1q3r s LEU 339 Ca 0.35 2.11 0.05 0.00 0.69 0.00 0.00 54.13 57.32 1q3r s LEU 339 Cb 0.19 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.32 1q3r s LEU 339 CO 0.29 -0.61 -0.04 0.42 -0.29 0.00 0.00 176.35 176.12 1q3r s THR 340 N 1.65 1.21 0.45 3.68 -4.23 -1.26 -4.97 115.64 112.18 1q3r s THR 340 Ca 0.62 -2.07 0.11 0.00 -1.18 0.00 0.00 61.69 59.17 1q3r s THR 340 Cb -0.32 -2.25 0.26 0.00 1.34 0.00 0.00 72.50 71.54 1q3r s THR 340 CO 0.28 -0.42 2.09 -0.65 -0.54 0.00 0.00 174.62 175.38 1q3r h PRO 341 N 2.50 0.31 0.00 3.99 0.11 -1.94 -1.01 132.00 135.95 1q3r h PRO 341 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1q3r h PRO 341 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1q3r h PRO 341 CO 0.65 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 1q3r n GLU 342 N -4.49 0.15 0.00 1.05 4.71 -1.26 -1.17 120.64 119.63 1q3r n GLU 342 Ca 0.00 0.15 0.09 0.00 -0.01 0.00 0.00 57.16 57.39 1q3r n GLU 342 Cb 0.08 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.00 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 -1.19 1.75 -4.80 1.62 10.43 -0.38 -4.82 116.55 119.16 1q3r n ASP 343 Ca 0.04 -1.38 -0.36 0.00 2.57 0.00 0.00 54.79 55.67 1q3r n ASP 343 Cb 0.05 0.50 -0.07 0.00 1.84 0.00 0.00 41.12 43.44 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 -2.26 4.22 0.49 0.64 1.43 -0.31 -1.36 118.68 121.53 1q3r s LEU 344 Ca 0.15 1.75 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 1q3r s LEU 344 Cb 0.15 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 42.27 1q3r s LEU 344 CO 0.49 -0.15 0.56 -0.83 0.23 0.00 0.00 176.35 176.65 1q3r s GLY 345 N -1.80 2.00 0.05 -3.19 0.00 0.35 -4.21 107.32 100.53 1q3r s GLY 345 Ca 0.53 -1.81 0.07 0.00 0.00 0.00 0.00 44.72 43.52 1q3r s GLY 345 CO 0.20 -1.69 -0.20 -0.47 0.00 0.00 0.00 173.10 170.95 1q3r s TYR 346 N -2.56 1.76 -0.20 1.90 5.04 0.11 -0.05 117.35 123.35 1q3r s TYR 346 Ca 0.52 -0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 54.63 1q3r s TYR 346 Cb -0.05 -1.04 0.06 0.00 0.35 0.00 0.00 41.96 41.28 1q3r s TYR 346 CO 0.31 0.10 0.50 0.00 -1.34 0.00 0.00 175.55 175.12 1q3r s ALA 347 N -0.83 -1.29 0.38 3.97 0.00 -1.10 -4.41 121.76 118.47 1q3r s ALA 347 Ca 0.07 1.65 0.05 0.00 0.00 0.00 0.00 51.96 53.73 1q3r s ALA 347 Cb -0.09 -0.98 0.74 0.00 0.00 0.00 0.00 23.12 22.80 1q3r s ALA 347 CO 0.02 -0.27 2.00 1.49 0.00 0.00 0.00 175.76 179.00 1q3r h GLU 348 N 6.32 0.61 -2.38 0.00 4.81 -1.22 -2.73 114.58 119.98 1q3r h GLU 348 Ca -0.32 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.78 1q3r h GLU 348 Cb 1.19 -0.13 -0.23 0.00 0.63 0.00 0.00 28.75 30.21 1q3r h GLU 348 CO 0.22 0.45 -0.07 0.08 -0.73 0.00 0.00 179.01 178.96 1q3r s VAL 349 N -5.42 -0.00 -0.13 0.32 1.01 -0.86 -3.87 120.40 111.45 1q3r s VAL 349 Ca -0.09 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1q3r s VAL 349 Cb 0.17 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.81 1q3r s VAL 349 CO 0.75 0.00 0.02 -0.69 0.00 0.00 0.00 175.10 175.19 1q3r s VAL 350 N 0.50 0.37 -0.01 2.92 1.01 -0.75 -1.04 120.40 123.41 1q3r s VAL 350 Ca -0.02 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 1q3r s VAL 350 Cb -0.04 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.66 1q3r s VAL 350 CO -0.02 0.03 0.43 -1.83 0.00 0.00 0.00 175.10 173.71 1q3r s GLU 351 N 1.95 0.83 0.29 2.72 -1.05 -0.52 -1.68 118.70 121.24 1q3r s GLU 351 Ca 0.02 -0.11 -0.29 0.00 -0.15 0.00 0.00 54.97 54.44 1q3r s GLU 351 Cb -0.14 0.38 -0.10 0.00 -0.44 0.00 0.00 34.13 33.83 1q3r s GLU 351 CO -0.07 -0.25 1.10 -2.00 0.95 0.00 0.00 175.26 174.99 1q3r s GLU 352 N -1.56 4.61 -0.14 -4.83 2.12 -0.38 -1.41 118.70 117.12 1q3r s GLU 352 Ca -0.11 1.79 -0.15 0.00 0.36 0.00 0.00 54.97 56.85 1q3r s GLU 352 Cb -0.03 -3.15 0.04 0.00 0.26 0.00 0.00 34.13 31.25 1q3r s GLU 352 CO 0.04 0.19 0.43 0.50 -0.54 0.00 0.00 175.26 175.88 1q3r s ARG 353 N -1.50 0.54 -0.14 4.30 3.52 0.26 -4.92 118.95 121.01 1q3r s ARG 353 Ca 0.45 0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 56.40 1q3r s ARG 353 Cb -0.31 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 1q3r s ARG 353 CO 0.40 -0.08 0.38 0.15 -0.81 0.00 0.00 175.30 175.35 1q3r s LYS 354 N 0.03 4.30 -0.15 5.12 1.02 -1.26 -0.42 119.74 128.38 1q3r s LYS 354 Ca -0.02 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1q3r s LYS 354 Cb -0.03 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1q3r s LYS 354 CO 0.01 0.19 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.97 1q3r s LEU 355 N 0.57 1.76 -1.40 3.17 1.02 0.12 -4.70 118.68 119.22 1q3r s LEU 355 Ca 0.21 -0.52 -0.00 0.00 0.02 0.00 0.00 54.13 53.84 1q3r s LEU 355 Cb -0.14 -1.22 0.00 0.00 0.02 0.00 0.00 46.19 44.85 1q3r s LEU 355 CO 0.07 -0.05 0.42 0.00 0.02 0.00 0.00 176.35 176.81 1q3r n ALA 356 N 4.75 -2.02 0.00 4.21 0.00 -1.26 -2.14 120.51 124.04 1q3r n ALA 356 Ca -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1q3r n ALA 356 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.98 2.04 3.69 0.00 0.00 -1.26 -5.00 105.19 102.68 1q3r n GLY 357 Ca -0.31 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 2.19 -2.39 1.61 4.71 -0.91 -4.80 120.64 121.04 1q3r n GLU 358 Ca 0.00 0.78 -0.32 0.00 -0.01 0.00 0.00 57.16 57.60 1q3r n GLU 358 Cb 0.00 -2.43 -0.03 0.00 -1.01 0.00 0.00 31.44 27.97 1q3r n GLU 358 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1q3r s ASN 359 N 0.12 6.55 -0.06 1.62 0.01 -1.26 0.15 114.94 122.07 1q3r s ASN 359 Ca 0.63 1.61 -0.26 0.00 -0.71 0.00 0.00 52.86 54.13 1q3r s ASN 359 Cb -0.59 -2.51 0.06 0.00 0.41 0.00 0.00 41.25 38.61 1q3r s ASN 359 CO 0.54 -0.63 0.58 -0.04 -1.51 0.00 0.00 177.10 176.04 1q3r s MET 360 N -4.00 0.92 -0.09 -0.60 -1.94 0.44 -4.49 119.30 109.55 1q3r s MET 360 Ca 0.60 0.22 -0.14 0.00 -1.71 0.00 0.00 55.69 54.66 1q3r s MET 360 Cb -0.11 0.43 -0.05 0.00 2.01 0.00 0.00 34.83 37.12 1q3r s MET 360 CO 0.30 -0.26 0.36 0.42 -0.01 0.00 0.00 175.02 175.83 1q3r s ILE 361 N -1.04 5.20 -0.19 2.53 -1.09 0.26 -0.57 121.20 126.30 1q3r s ILE 361 Ca -0.10 0.71 -0.01 0.00 -2.23 0.00 0.00 60.65 59.02 1q3r s ILE 361 Cb -0.02 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1q3r s ILE 361 CO 0.07 0.47 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.76 1q3r s PHE 362 N -0.23 2.84 -0.56 3.97 0.40 -0.50 -1.15 117.98 122.75 1q3r s PHE 362 Ca 0.21 -1.26 -0.04 0.00 -0.60 0.00 0.00 56.93 55.23 1q3r s PHE 362 Cb -0.15 -1.97 0.15 0.00 0.51 0.00 0.00 43.02 41.56 1q3r s PHE 362 CO 0.09 -0.64 0.38 0.08 0.70 0.00 0.00 175.22 175.83 1q3r s VAL 363 N 1.23 3.79 0.38 -0.44 1.01 0.01 -1.43 120.40 124.94 1q3r s VAL 363 Ca 0.03 -2.51 0.07 0.00 0.00 0.00 0.00 61.98 59.57 1q3r s VAL 363 Cb -0.14 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1q3r s VAL 363 CO -0.07 -0.82 -0.02 -1.83 0.00 0.00 0.00 175.10 172.37 1q3r s GLU 364 N 0.48 1.88 -0.51 2.72 -1.05 -0.21 -1.08 118.70 120.94 1q3r s GLU 364 Ca 0.13 -2.04 0.00 0.00 -0.15 0.00 0.00 54.97 52.91 1q3r s GLU 364 Cb -0.21 -1.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.90 1q3r s GLU 364 CO -0.04 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.58 1q3r n GLY 365 N -0.89 0.17 3.77 -3.83 0.00 -1.14 -2.00 105.19 101.29 1q3r n GLY 365 Ca -0.05 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.52 0.00 -3.37 0.00 4.81 -1.26 -4.29 118.16 113.53 1q3r n LYS 367 Ca 0.07 0.53 -0.26 0.00 -0.87 0.00 0.00 58.31 57.79 1q3r n LYS 367 Cb 0.48 -1.30 -0.09 0.00 0.02 0.00 0.00 35.03 34.15 1q3r n LYS 367 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1q3r n ASN 368 N -1.76 0.99 -4.63 3.14 4.05 -1.26 -5.11 115.26 110.68 1q3r n ASN 368 Ca 0.00 -2.81 -0.42 0.00 0.45 0.00 0.00 54.58 51.80 1q3r n ASN 368 Cb 0.00 -0.64 0.00 0.00 1.23 0.00 0.00 39.78 40.38 1q3r n ASN 368 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1q3r n PRO 369 N 1.74 1.53 -0.08 1.20 -0.04 -1.25 -4.89 135.00 133.21 1q3r n PRO 369 Ca 0.25 0.54 0.08 0.00 -0.04 0.00 0.00 63.50 64.33 1q3r n PRO 369 Cb 0.47 -2.06 0.12 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.37 1.76 -3.76 0.54 4.01 0.11 -4.63 118.16 116.56 1q3r n LYS 370 Ca 0.08 -1.74 -0.13 0.00 -0.51 0.00 0.00 58.31 56.02 1q3r n LYS 370 Cb 0.37 -1.34 -0.12 0.00 -0.51 0.00 0.00 35.03 33.42 1q3r n LYS 370 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q3r s ALA 371 N -1.26 -0.58 0.20 7.82 0.00 -1.25 -4.70 121.76 121.99 1q3r s ALA 371 Ca 0.24 0.83 0.05 0.00 0.00 0.00 0.00 51.96 53.08 1q3r s ALA 371 Cb 0.15 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1q3r s ALA 371 CO 0.22 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 1q3r s VAL 372 N 0.68 1.22 -0.06 0.00 1.01 0.13 -4.21 120.40 119.16 1q3r s VAL 372 Ca -0.05 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 59.88 1q3r s VAL 372 Cb -0.06 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1q3r s VAL 372 CO -0.04 -0.49 -0.08 -0.89 0.00 0.00 0.00 175.10 173.60 1q3r s THR 373 N -3.30 0.80 -0.30 3.92 2.01 -0.87 -0.24 115.64 117.67 1q3r s THR 373 Ca 0.24 -0.27 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1q3r s THR 373 Cb 0.04 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1q3r s THR 373 CO 0.06 0.29 0.20 -0.63 -0.69 0.00 0.00 174.62 173.85 1q3r s ILE 374 N 0.89 5.26 -0.31 1.82 1.01 0.26 -0.05 121.20 130.08 1q3r s ILE 374 Ca -0.11 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 1q3r s ILE 374 Cb -0.15 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1q3r s ILE 374 CO 0.01 0.17 0.58 -0.22 0.00 0.00 0.00 174.94 175.48 1q3r s LEU 375 N 1.74 4.18 -0.25 2.97 0.20 0.13 -1.76 118.68 125.90 1q3r s LEU 375 Ca 0.07 0.32 -0.10 0.00 0.69 0.00 0.00 54.13 55.11 1q3r s LEU 375 Cb -0.16 -2.73 -0.05 0.00 -0.43 0.00 0.00 46.19 42.82 1q3r s LEU 375 CO 0.11 -0.45 0.15 -0.63 -0.29 0.00 0.00 176.35 175.23 1q3r s ILE 376 N 2.52 5.17 0.29 6.68 1.01 0.14 -0.81 121.20 136.19 1q3r s ILE 376 Ca 0.23 0.12 0.10 0.00 0.00 0.00 0.00 60.65 61.09 1q3r s ILE 376 Cb -0.15 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1q3r s ILE 376 CO 0.12 0.33 -0.01 -0.13 0.00 0.00 0.00 174.94 175.25 1q3r s ARG 377 N 1.25 2.20 0.00 2.79 1.81 -1.26 -1.10 118.95 124.64 1q3r s ARG 377 Ca 0.07 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.55 1q3r s ARG 377 Cb -0.14 -2.08 0.00 0.00 -0.45 0.00 0.00 34.95 32.28 1q3r s ARG 377 CO 0.06 0.29 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 1q3r n GLY 378 N -0.90 0.69 0.26 -3.53 0.00 -0.45 -3.55 105.19 97.72 1q3r n GLY 378 Ca -0.05 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.29 1q3r n GLY 378 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q3r h GLY 379 N 0.00 0.15 -2.78 -0.02 0.00 -1.75 1.42 103.07 100.09 1q3r h GLY 379 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1q3r h GLY 379 CO 0.00 0.06 -0.21 -0.51 0.00 0.00 0.00 176.54 175.88 1q3r s THR 380 N -5.07 0.06 0.18 4.70 -4.23 -1.26 -4.57 115.64 105.45 1q3r s THR 380 Ca -0.06 -1.13 -0.13 0.00 -1.18 0.00 0.00 61.69 59.19 1q3r s THR 380 Cb 0.17 -1.66 0.09 0.00 1.34 0.00 0.00 72.50 72.43 1q3r s THR 380 CO 0.69 -0.29 1.77 -0.33 -0.54 0.00 0.00 174.62 175.92 1q3r h GLU 381 N 2.46 0.42 -0.59 3.99 4.39 -1.98 -1.52 114.58 121.75 1q3r h GLU 381 Ca -0.31 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.38 1q3r h GLU 381 Cb 1.24 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 1q3r h GLU 381 CO 0.46 0.28 0.39 0.45 -1.16 0.00 0.00 179.01 179.43 1q3r h HIS 382 N 0.43 0.71 -0.11 4.33 3.86 -1.97 -2.13 115.15 120.27 1q3r h HIS 382 Ca 0.23 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1q3r h HIS 382 Cb 0.20 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1q3r h HIS 382 CO -0.13 0.43 0.00 0.28 0.86 0.00 0.00 177.93 179.38 1q3r h VAL 383 N 0.75 1.24 0.00 2.45 2.07 -1.69 -2.81 116.25 118.27 1q3r h VAL 383 Ca 0.23 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1q3r h VAL 383 Cb -0.02 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1q3r h VAL 383 CO -0.05 0.22 -0.06 0.16 0.02 0.00 0.00 177.57 177.86 1q3r h ILE 384 N -0.07 0.19 -0.16 4.57 3.07 -1.24 -2.16 117.51 121.71 1q3r h ILE 384 Ca 0.03 -0.60 -0.19 0.00 1.55 0.00 0.00 64.86 65.65 1q3r h ILE 384 Cb 0.34 1.50 0.01 0.00 -0.27 0.00 0.00 36.82 38.40 1q3r h ILE 384 CO 0.00 0.06 -0.64 0.44 -1.05 0.00 0.00 178.15 176.96 1q3r h ASP 385 N 0.00 0.85 1.08 2.16 3.32 -1.23 -1.59 116.42 121.01 1q3r h ASP 385 Ca -0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1q3r h ASP 385 Cb 0.49 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1q3r h ASP 385 CO 0.01 1.32 0.00 1.21 -1.72 0.00 0.00 179.24 180.06 1q3r n GLU 386 N -4.05 0.06 0.04 3.56 4.07 -1.07 -2.31 120.64 120.93 1q3r n GLU 386 Ca -0.07 0.06 -0.22 0.00 -0.06 0.00 0.00 57.16 56.87 1q3r n GLU 386 Cb 0.68 -1.57 -0.14 0.00 -0.06 0.00 0.00 31.44 30.34 1q3r n GLU 386 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1q3r h VAL 387 N 0.00 0.98 -0.61 6.31 2.07 -1.31 -2.86 116.25 120.83 1q3r h VAL 387 Ca 0.00 -2.45 0.04 0.00 0.82 0.00 0.00 66.70 65.10 1q3r h VAL 387 Cb 0.54 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 1q3r h VAL 387 CO 0.00 0.78 0.40 -0.08 0.02 0.00 0.00 177.57 178.70 1q3r h GLU 388 N -0.10 0.68 -0.10 1.57 4.81 -1.15 0.37 114.58 120.66 1q3r h GLU 388 Ca -0.32 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1q3r h GLU 388 Cb 1.93 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.15 1q3r h GLU 388 CO 0.12 0.45 -0.11 0.00 -0.73 0.00 0.00 179.01 178.73 1q3r h ARG 389 N 0.70 0.25 -0.71 1.92 3.08 -1.53 0.33 114.38 118.41 1q3r h ARG 389 Ca 0.25 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.24 1q3r h ARG 389 Cb 0.11 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 1q3r h ARG 389 CO -0.07 0.68 0.38 0.00 -1.07 0.00 0.00 179.97 179.89 1q3r h ALA 390 N 0.57 0.97 -0.43 0.04 0.00 -1.05 -0.38 119.26 118.97 1q3r h ALA 390 Ca 0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1q3r h ALA 390 Cb 0.64 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1q3r h ALA 390 CO 0.03 0.02 -0.09 1.25 0.00 0.00 0.00 179.25 180.46 1q3r h LEU 391 N 0.67 0.75 -0.75 0.00 5.85 -0.21 -1.66 115.31 119.96 1q3r h LEU 391 Ca 0.33 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1q3r h LEU 391 Cb 0.28 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1q3r h LEU 391 CO -0.22 0.87 0.46 -0.33 -0.34 0.00 0.00 178.44 178.88 1q3r h GLU 392 N 0.70 1.00 -0.03 1.25 5.08 0.73 -0.49 114.58 122.82 1q3r h GLU 392 Ca 0.12 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1q3r h GLU 392 Cb 0.56 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1q3r h GLU 392 CO 0.03 0.70 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.29 1q3r h ASP 393 N 1.02 0.06 -0.61 1.42 3.32 -1.14 -2.50 116.42 117.99 1q3r h ASP 393 Ca 0.27 -0.41 0.13 0.00 0.02 0.00 0.00 57.03 57.04 1q3r h ASP 393 Cb -0.06 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.36 1q3r h ASP 393 CO -0.05 0.45 -0.08 0.00 -1.72 0.00 0.00 179.24 177.84 1q3r h ALA 394 N 0.61 0.50 -0.16 3.45 0.00 -1.02 0.32 119.26 122.96 1q3r h ALA 394 Ca 0.01 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1q3r h ALA 394 Cb 0.43 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1q3r h ALA 394 CO 0.00 -0.42 0.04 0.28 0.00 0.00 0.00 179.25 179.16 1q3r h VAL 395 N 0.05 0.94 -0.68 0.00 2.07 -1.07 -0.13 116.25 117.42 1q3r h VAL 395 Ca 0.31 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.73 1q3r h VAL 395 Cb 0.49 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1q3r h VAL 395 CO -0.58 0.02 0.19 0.50 0.02 0.00 0.00 177.57 177.72 1q3r h LYS 396 N 0.11 1.07 -0.18 1.57 3.11 -0.65 0.67 116.57 122.26 1q3r h LYS 396 Ca 0.07 -0.24 -0.15 0.00 -2.81 0.00 0.00 60.65 57.52 1q3r h LYS 396 Cb 0.06 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 1q3r h LYS 396 CO -0.09 0.93 -0.53 -0.24 -2.81 0.00 0.00 179.45 176.71 1q3r h VAL 397 N 1.02 1.32 -0.42 2.00 3.04 -0.24 0.14 116.25 123.12 1q3r h VAL 397 Ca 0.22 -1.77 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 1q3r h VAL 397 Cb 0.33 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1q3r h VAL 397 CO -0.00 0.55 -0.07 0.58 -1.01 0.00 0.00 177.57 177.62 1q3r h VAL 398 N 0.41 1.27 -0.30 1.51 2.07 -0.71 -2.90 116.25 117.60 1q3r h VAL 398 Ca 0.01 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.43 1q3r h VAL 398 Cb 1.06 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1q3r h VAL 398 CO 0.10 0.39 0.08 0.50 0.02 0.00 0.00 177.57 178.65 1q3r h LYS 399 N 0.61 0.19 -0.77 1.57 3.64 -0.47 -2.17 116.57 119.18 1q3r h LYS 399 Ca 0.11 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.63 1q3r h LYS 399 Cb 0.58 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.26 1q3r h LYS 399 CO 0.03 0.13 0.30 -0.44 -2.27 0.00 0.00 179.45 177.20 1q3r h ASP 400 N 0.20 0.26 -0.22 4.20 3.32 -0.55 -0.99 116.42 122.64 1q3r h ASP 400 Ca 0.14 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1q3r h ASP 400 Cb 0.13 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1q3r h ASP 400 CO -0.17 0.08 -0.13 0.58 -1.72 0.00 0.00 179.24 177.88 1q3r h VAL 401 N 0.42 1.31 0.00 -1.35 2.07 -1.24 0.20 116.25 117.66 1q3r h VAL 401 Ca 0.43 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1q3r h VAL 401 Cb 0.67 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1q3r h VAL 401 CO -0.43 0.38 -0.09 0.24 0.02 0.00 0.00 177.57 177.69 1q3r h MET 402 N 0.18 0.00 0.00 1.57 2.86 -0.84 0.95 114.93 119.65 1q3r h MET 402 Ca 0.05 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 1q3r h MET 402 Cb 0.65 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 1q3r h MET 402 CO 0.04 0.09 -1.78 0.39 1.06 0.00 0.00 176.91 176.71 1q3r n GLU 403 N -3.66 0.65 -0.10 1.72 1.02 -0.43 -3.85 120.64 115.99 1q3r n GLU 403 Ca -0.02 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1q3r n GLU 403 Cb 0.21 -1.68 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 1q3r n GLU 403 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q3r n ASP 404 N -2.75 1.11 -1.35 1.62 10.43 0.68 -4.79 116.55 121.50 1q3r n ASP 404 Ca -0.15 -0.05 -0.14 0.00 2.57 0.00 0.00 54.79 57.02 1q3r n ASP 404 Cb 0.88 0.42 -0.03 0.00 1.84 0.00 0.00 41.12 44.24 1q3r n ASP 404 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q3r n GLY 405 N 2.06 0.47 2.93 0.44 0.00 0.32 -4.96 105.19 106.44 1q3r n GLY 405 Ca -0.35 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.61 0.39 0.09 4.61 0.00 -1.26 -0.19 121.76 122.79 1q3r s ALA 406 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 1q3r s ALA 406 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1q3r s ALA 406 CO 0.00 0.07 0.02 0.08 0.00 0.00 0.00 175.76 175.93 1q3r s VAL 407 N 0.10 0.16 0.08 0.00 1.01 -0.82 -2.51 120.40 118.41 1q3r s VAL 407 Ca -0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 61.98 60.11 1q3r s VAL 407 Cb -0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1q3r s VAL 407 CO -0.00 -0.71 0.06 -0.76 0.00 0.00 0.00 175.10 173.68 1q3r s LEU 408 N -2.98 1.99 0.78 3.92 1.43 0.72 -0.38 118.68 124.15 1q3r s LEU 408 Ca 0.16 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 1q3r s LEU 408 Cb 0.08 0.49 0.06 0.00 0.03 0.00 0.00 46.19 46.84 1q3r s LEU 408 CO -0.04 -0.68 1.11 -2.16 0.23 0.00 0.00 176.35 174.81 1q3r s PRO 409 N -3.93 2.25 0.00 1.29 0.04 -1.26 -1.20 135.00 132.19 1q3r s PRO 409 Ca 0.11 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1q3r s PRO 409 Cb 0.07 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1q3r s PRO 409 CO -0.07 -1.47 0.00 0.00 0.04 0.00 0.00 177.00 175.50 1q3r n ALA 410 N -3.30 0.00 -1.05 8.56 0.00 -0.94 -4.33 120.51 119.45 1q3r n ALA 410 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1q3r n ALA 410 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 0.68 1.00 0.00 0.00 -1.26 -0.31 105.19 110.30 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 0.21 1.38 0.38 -0.02 0.00 -1.26 0.51 105.19 106.39 1q3r n GLY 412 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.05 0.00 4.61 0.00 -0.80 0.29 119.26 123.30 1q3r h ALA 413 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1q3r h ALA 413 Cb 0.00 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1q3r h ALA 413 CO 0.00 -0.70 -0.08 -1.35 0.00 0.00 0.00 179.25 177.11 1q3r h PRO 414 N -0.10 -0.14 -0.49 0.00 0.11 -1.77 0.01 132.00 129.62 1q3r h PRO 414 Ca 0.26 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.43 1q3r h PRO 414 Cb 0.56 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 1q3r h PRO 414 CO -0.82 -0.09 0.33 0.93 -0.21 0.00 0.00 178.00 178.13 1q3r h GLU 415 N -0.14 0.48 -0.02 1.05 3.07 -1.60 0.12 114.58 117.53 1q3r h GLU 415 Ca 0.03 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1q3r h GLU 415 Cb 0.18 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1q3r h GLU 415 CO -0.08 0.32 -0.01 0.82 -1.40 0.00 0.00 179.01 178.65 1q3r h ILE 416 N 0.49 1.38 0.06 3.13 2.04 0.23 -1.07 117.51 123.78 1q3r h ILE 416 Ca 0.20 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1q3r h ILE 416 Cb 0.19 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1q3r h ILE 416 CO -0.05 0.30 -0.17 -0.08 0.00 0.00 0.00 178.15 178.15 1q3r h GLU 417 N -0.43 -0.30 -0.78 2.37 4.57 -0.53 -1.41 114.58 118.07 1q3r h GLU 417 Ca 0.00 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.36 1q3r h GLU 417 Cb 0.50 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.05 1q3r h GLU 417 CO 0.00 -0.20 0.31 -0.07 -1.18 0.00 0.00 179.01 177.88 1q3r h LEU 418 N -0.31 0.28 -1.36 1.64 4.07 -1.01 0.19 115.31 118.82 1q3r h LEU 418 Ca 0.03 0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 1q3r h LEU 418 Cb 0.35 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1q3r h LEU 418 CO -0.12 0.09 -0.20 0.00 -1.08 0.00 0.00 178.44 177.12 1q3r h ALA 419 N 1.58 1.47 0.07 1.53 0.00 -0.35 0.13 119.26 123.69 1q3r h ALA 419 Ca 0.44 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1q3r h ALA 419 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1q3r h ALA 419 CO -0.43 0.38 -0.03 0.82 0.00 0.00 0.00 179.25 179.98 1q3r h ILE 420 N 0.16 1.10 0.66 0.00 2.04 0.14 -3.16 117.51 118.44 1q3r h ILE 420 Ca 0.03 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.34 1q3r h ILE 420 Cb 0.46 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1q3r h ILE 420 CO 0.03 0.33 -0.40 0.03 0.00 0.00 0.00 178.15 178.14 1q3r h ARG 421 N -0.89 -0.96 -0.80 2.37 2.47 -0.66 -2.65 114.38 113.26 1q3r h ARG 421 Ca -0.01 0.07 0.16 0.00 -1.26 0.00 0.00 59.98 58.93 1q3r h ARG 421 Cb 0.60 0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 29.09 1q3r h ARG 421 CO 0.02 -0.64 0.53 -0.07 0.56 0.00 0.00 179.97 180.37 1q3r h LEU 422 N -1.00 0.43 -0.60 3.04 3.38 -0.91 -0.03 115.31 119.62 1q3r h LEU 422 Ca -0.08 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1q3r h LEU 422 Cb 0.80 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1q3r h LEU 422 CO 0.09 0.21 0.02 -0.78 0.09 0.00 0.00 178.44 178.07 1q3r h ASP 423 N 0.45 1.02 -0.54 -0.43 1.82 -1.47 -0.21 116.42 117.06 1q3r h ASP 423 Ca 0.40 -0.30 -0.09 0.00 -0.39 0.00 0.00 57.03 56.65 1q3r h ASP 423 Cb 0.89 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 1q3r h ASP 423 CO -0.14 1.06 -0.01 -0.08 -1.61 0.00 0.00 179.24 178.46 1q3r h GLU 424 N 0.94 1.00 -0.91 0.28 4.81 -0.72 -2.06 114.58 117.91 1q3r h GLU 424 Ca 0.17 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1q3r h GLU 424 Cb 0.53 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1q3r h GLU 424 CO 0.03 0.99 0.58 -0.92 -0.73 0.00 0.00 179.01 178.96 1q3r h TYR 425 N 0.91 1.17 -0.28 0.92 3.20 -0.71 -2.04 116.97 120.14 1q3r h TYR 425 Ca 0.16 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1q3r h TYR 425 Cb 0.55 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 1q3r h TYR 425 CO 0.04 0.75 -0.08 0.00 -1.64 0.00 0.00 178.16 177.23 1q3r h ALA 426 N 1.40 0.17 -0.95 1.82 0.00 -0.32 -0.33 119.26 121.04 1q3r h ALA 426 Ca 0.33 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.50 1q3r h ALA 426 Cb -0.11 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1q3r h ALA 426 CO -0.07 -0.48 0.60 0.87 0.00 0.00 0.00 179.25 180.18 1q3r h LYS 427 N -0.02 0.78 -0.34 0.00 1.79 -1.16 0.24 116.57 117.85 1q3r h LYS 427 Ca 0.13 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1q3r h LYS 427 Cb 0.22 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1q3r h LYS 427 CO -0.29 0.51 0.21 1.96 -1.08 0.00 0.00 179.45 180.76 1q3r h GLN 428 N 0.80 0.47 0.09 3.15 4.20 -0.79 -3.21 115.11 119.82 1q3r h GLN 428 Ca 0.49 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.90 1q3r h GLN 428 Cb 0.69 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.38 1q3r h GLN 428 CO -0.26 0.35 -1.15 -0.39 -0.67 0.00 0.00 178.83 176.71 1q3r h VAL 429 N 0.45 1.45 -1.37 -0.54 -1.51 -0.79 -3.50 116.25 110.44 1q3r h VAL 429 Ca 0.12 -2.81 0.00 0.00 -1.23 0.00 0.00 66.70 62.78 1q3r h VAL 429 Cb 0.00 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1q3r h VAL 429 CO -0.02 0.83 0.00 0.61 -1.23 0.00 0.00 177.57 177.76 1q3r n GLY 430 N 1.34 0.08 7.00 5.19 0.00 -0.03 -4.84 105.19 113.93 1q3r n GLY 430 Ca -0.08 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.67 0.21 -0.02 0.00 -1.26 -2.07 105.19 101.38 1q3r n GLY 431 Ca 0.00 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.06 1.61 1.57 -1.99 -2.98 116.57 114.71 1q3r h LYS 432 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1q3r h LYS 432 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1q3r h LYS 432 CO 0.00 0.12 -0.28 0.93 -0.57 0.00 0.00 179.45 179.65 1q3r h GLU 433 N 0.00 0.11 0.00 3.15 5.08 -1.86 -1.46 114.58 119.61 1q3r h GLU 433 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1q3r h GLU 433 Cb 1.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1q3r h GLU 433 CO 0.02 0.39 -0.04 0.00 -1.00 0.00 0.00 179.01 178.37 1q3r h ALA 434 N 1.62 1.14 0.04 3.43 0.00 -1.25 0.38 119.26 124.61 1q3r h ALA 434 Ca 0.01 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1q3r h ALA 434 Cb 0.55 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1q3r h ALA 434 CO 0.04 0.05 -0.95 -0.07 0.00 0.00 0.00 179.25 178.32 1q3r h LEU 435 N 0.00 0.76 -0.53 0.00 3.38 -1.39 -1.78 115.31 115.75 1q3r h LEU 435 Ca -0.00 -0.78 -0.09 0.00 0.09 0.00 0.00 57.88 57.09 1q3r h LEU 435 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1q3r h LEU 435 CO 0.01 1.46 -0.02 0.00 0.09 0.00 0.00 178.44 179.97 1q3r h ALA 436 N 0.32 0.72 -0.05 1.53 0.00 -1.25 -2.13 119.26 118.40 1q3r h ALA 436 Ca -0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1q3r h ALA 436 Cb 1.64 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1q3r h ALA 436 CO 0.19 0.56 0.02 0.82 0.00 0.00 0.00 179.25 180.83 1q3r h ILE 437 N 0.83 1.13 0.00 0.00 2.04 -0.98 -0.14 117.51 120.39 1q3r h ILE 437 Ca 0.15 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1q3r h ILE 437 Cb 0.56 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1q3r h ILE 437 CO 0.03 0.11 -0.03 1.05 0.00 0.00 0.00 178.15 179.31 1q3r h GLU 438 N -0.08 0.00 0.03 2.37 4.11 -1.30 -0.23 114.58 119.47 1q3r h GLU 438 Ca 0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.23 1q3r h GLU 438 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1q3r h GLU 438 CO -0.00 0.03 -0.99 -0.91 0.07 0.00 0.00 179.01 177.21 1q3r h ASN 439 N 0.00 0.17 -0.14 3.06 -0.26 -0.83 -1.68 115.58 115.90 1q3r h ASN 439 Ca -0.00 -0.17 -0.05 0.00 -0.56 0.00 0.00 56.30 55.53 1q3r h ASN 439 Cb 0.35 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1q3r h ASN 439 CO 0.00 1.06 -0.09 0.15 -1.06 0.00 0.00 177.43 177.50 1q3r h PHE 440 N 0.05 0.37 -0.74 1.19 3.57 0.15 -0.98 116.94 120.55 1q3r h PHE 440 Ca -0.05 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.39 1q3r h PHE 440 Cb 1.69 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 40.31 1q3r h PHE 440 CO 0.02 0.66 0.47 0.00 -2.23 0.00 0.00 178.31 177.23 1q3r h ALA 441 N 0.65 0.97 -0.18 2.41 0.00 -1.08 -2.65 119.26 119.37 1q3r h ALA 441 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q3r h ALA 441 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1q3r h ALA 441 CO 0.02 0.26 0.09 0.22 0.00 0.00 0.00 179.25 179.84 1q3r h ASP 442 N 0.91 0.23 -0.86 0.00 3.58 -1.14 -2.78 116.42 116.37 1q3r h ASP 442 Ca 0.30 -0.10 0.16 0.00 0.42 0.00 0.00 57.03 57.81 1q3r h ASP 442 Cb 0.02 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 40.94 1q3r h ASP 442 CO -0.11 0.26 0.56 0.00 -2.88 0.00 0.00 179.24 177.07 1q3r h ALA 443 N 0.98 2.02 -0.00 -0.78 0.00 -0.83 -0.73 119.26 119.91 1q3r h ALA 443 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1q3r h ALA 443 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1q3r h ALA 443 CO -0.01 -0.26 0.08 -0.07 0.00 0.00 0.00 179.25 178.98 1q3r h LEU 444 N 0.53 0.00 0.00 0.00 3.38 -1.23 -2.22 115.31 115.77 1q3r h LEU 444 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1q3r h LEU 444 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1q3r h LEU 444 CO -0.18 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.64 1q3r n LYS 445 N -3.04 0.15 0.16 1.13 5.02 -0.28 -3.02 118.16 118.27 1q3r n LYS 445 Ca -0.03 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.47 1q3r n LYS 445 Cb 0.14 -1.50 0.40 0.00 -0.02 0.00 0.00 35.03 34.05 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 1.19 0.47 -0.18 -0.00 -1.61 -0.68 117.51 116.70 1q3r h ILE 446 Ca 0.00 -0.89 -0.02 0.00 -0.00 0.00 0.00 64.86 63.95 1q3r h ILE 446 Cb 0.16 1.38 -0.00 0.00 -0.00 0.00 0.00 36.82 38.36 1q3r h ILE 446 CO 0.00 0.27 -0.31 0.40 -0.00 0.00 0.00 178.15 178.51 1q3r h ILE 447 N 0.12 0.00 -0.95 0.16 1.08 -1.80 1.78 117.51 117.90 1q3r h ILE 447 Ca 0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 1q3r h ILE 447 Cb 0.45 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 1q3r h ILE 447 CO 0.03 0.00 0.61 1.55 -0.69 0.00 0.00 178.15 179.65 1q3r h PRO 448 N -0.73 1.10 -0.97 2.37 0.13 -1.77 -1.09 132.00 131.05 1q3r h PRO 448 Ca -0.06 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1q3r h PRO 448 Cb 0.59 -0.25 -0.05 0.00 0.13 0.00 0.00 31.00 31.43 1q3r h PRO 448 CO 0.05 0.73 0.62 -0.22 -0.23 0.00 0.00 178.00 178.95 1q3r h LYS 449 N 1.13 1.28 -0.01 0.86 3.64 -0.74 -2.40 116.57 120.33 1q3r h LYS 449 Ca 0.40 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.51 1q3r h LYS 449 Cb 0.11 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1q3r h LYS 449 CO -0.15 0.87 -0.79 1.15 -2.27 0.00 0.00 179.45 178.25 1q3r h THR 450 N 1.32 1.49 -0.28 1.00 2.02 0.34 -1.42 112.91 117.37 1q3r h THR 450 Ca 0.35 -2.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.02 1q3r h THR 450 Cb -0.12 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1q3r h THR 450 CO -0.07 0.72 0.09 -0.07 0.37 0.00 0.00 175.52 176.56 1q3r h LEU 451 N 0.09 0.41 -0.53 2.58 3.38 -0.88 -0.25 115.31 120.11 1q3r h LEU 451 Ca -0.03 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 1q3r h LEU 451 Cb 1.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1q3r h LEU 451 CO 0.12 0.50 -0.24 0.00 0.09 0.00 0.00 178.44 178.91 1q3r h ALA 452 N 0.92 0.72 0.56 1.53 0.00 -1.44 -2.69 119.26 118.86 1q3r h ALA 452 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1q3r h ALA 452 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1q3r h ALA 452 CO -0.00 0.67 -0.29 1.49 0.00 0.00 0.00 179.25 181.11 1q3r h GLU 453 N 0.80 -0.76 -0.30 0.00 4.81 -1.00 0.12 114.58 118.25 1q3r h GLU 453 Ca 0.10 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.47 1q3r h GLU 453 Cb 0.81 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1q3r h GLU 453 CO 0.07 -0.51 0.27 -0.91 -0.73 0.00 0.00 179.01 177.20 1q3r h ASN 454 N -0.79 0.00 -0.03 1.04 2.35 -1.04 0.46 115.58 117.56 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 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1q3r h ASN 454 CO 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 1q3r n ALA 455 N -2.45 2.61 -2.65 -0.83 0.00 -0.76 -4.73 120.51 111.69 1q3r n ALA 455 Ca 0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1q3r n ALA 455 Cb 0.43 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 0.93 -0.06 3.91 0.00 0.00 0.16 -5.02 105.19 105.10 1q3r n GLY 456 Ca 0.17 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.17 3.92 -0.55 0.99 1.43 -0.04 -5.03 118.68 115.23 1q3r s LEU 457 Ca 0.16 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 52.75 1q3r s LEU 457 Cb -0.07 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1q3r s LEU 457 CO 0.20 -0.24 1.37 -0.62 0.23 0.00 0.00 176.35 177.28 1q3r s ASP 458 N -4.01 6.22 0.19 2.29 3.68 -1.26 -4.43 116.67 119.36 1q3r s ASP 458 Ca 0.39 0.32 -0.14 0.00 2.13 0.00 0.00 52.55 55.25 1q3r s ASP 458 Cb -0.08 -2.55 0.20 0.00 -1.45 0.00 0.00 42.92 39.04 1q3r s ASP 458 CO 0.28 -1.63 1.66 0.74 0.13 0.00 0.00 175.17 176.35 1q3r h THR 459 N 6.35 0.52 -0.25 1.71 2.02 -1.90 -2.13 112.91 119.23 1q3r h THR 459 Ca -0.26 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1q3r h THR 459 Cb 1.09 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1q3r h THR 459 CO 1.17 0.01 0.15 0.58 0.37 0.00 0.00 175.52 177.79 1q3r h VAL 460 N 0.05 1.11 0.09 3.16 2.07 -1.97 -2.73 116.25 118.03 1q3r h VAL 460 Ca 0.26 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1q3r h VAL 460 Cb 0.41 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1q3r h VAL 460 CO -0.50 0.10 -0.04 -0.08 0.02 0.00 0.00 177.57 177.07 1q3r h GLU 461 N 0.30 -0.12 0.08 1.57 4.81 -1.92 -2.94 114.58 116.37 1q3r h GLU 461 Ca 0.09 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1q3r h GLU 461 Cb 0.04 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1q3r h GLU 461 CO -0.02 -0.05 -0.29 0.52 -0.73 0.00 0.00 179.01 178.44 1q3r h MET 462 N -0.16 -0.47 -0.65 1.92 2.86 -1.35 -1.29 114.93 115.79 1q3r h MET 462 Ca -0.01 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1q3r h MET 462 Cb 0.13 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 31.80 1q3r h MET 462 CO 0.02 -0.31 0.11 -0.07 1.06 0.00 0.00 176.91 177.72 1q3r h LEU 463 N -0.49 -0.06 -0.51 1.22 -0.00 -1.52 0.29 115.31 114.24 1q3r h LEU 463 Ca 0.04 0.13 0.07 0.00 -0.00 0.00 0.00 57.88 58.13 1q3r h LEU 463 Cb 0.54 0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 41.33 1q3r h LEU 463 CO -0.20 -0.04 0.17 0.58 -0.00 0.00 0.00 178.44 178.96 1q3r h VAL 464 N 0.23 0.81 0.09 1.22 2.07 -1.24 -0.85 116.25 118.57 1q3r h VAL 464 Ca 0.35 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1q3r h VAL 464 Cb 0.56 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1q3r h VAL 464 CO -0.47 0.06 -0.04 0.11 0.02 0.00 0.00 177.57 177.25 1q3r h LYS 465 N 0.34 -0.12 -0.07 1.57 1.57 0.37 -3.04 116.57 117.19 1q3r h LYS 465 Ca 0.25 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1q3r h LYS 465 Cb 0.28 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1q3r h LYS 465 CO -0.26 0.24 0.02 -0.39 -0.57 0.00 0.00 179.45 178.49 1q3r h VAL 466 N -0.50 1.17 -0.04 0.50 -1.51 -0.41 0.19 116.25 115.64 1q3r h VAL 466 Ca -0.01 -0.51 0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1q3r h VAL 466 Cb 0.42 1.38 -0.05 0.00 -2.13 0.00 0.00 31.29 30.90 1q3r h VAL 466 CO 0.02 0.15 -0.32 0.40 -1.23 0.00 0.00 177.57 176.58 1q3r h ILE 467 N -0.07 0.30 -0.01 7.19 1.08 -1.28 1.07 117.51 125.78 1q3r h ILE 467 Ca 0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 1q3r h ILE 467 Cb 0.21 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1q3r h ILE 467 CO -0.00 0.00 0.00 0.77 -0.69 0.00 0.00 178.15 178.23 1q3r h SER 468 N -0.45 0.01 -0.52 1.72 4.64 -1.55 0.44 113.55 117.85 1q3r h SER 468 Ca 0.07 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1q3r h SER 468 Cb 0.56 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1q3r h SER 468 CO -0.29 0.11 0.34 -0.08 -0.87 0.00 0.00 176.83 176.04 1q3r h GLU 469 N -0.09 0.60 -0.10 4.77 4.81 -0.63 0.43 114.58 124.37 1q3r h GLU 469 Ca 0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1q3r h GLU 469 Cb 0.10 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1q3r h GLU 469 CO -0.00 0.40 -0.30 1.25 -0.73 0.00 0.00 179.01 179.63 1q3r h HIS 470 N 0.62 0.50 -0.90 0.92 2.76 0.16 0.23 115.15 119.44 1q3r h HIS 470 Ca 0.20 -0.20 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1q3r h HIS 470 Cb 0.05 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.87 1q3r h HIS 470 CO -0.00 0.91 0.58 0.87 -1.30 0.00 0.00 177.93 178.99 1q3r h LYS 471 N -0.06 0.99 0.11 5.26 1.57 0.71 0.30 116.57 125.45 1q3r h LYS 471 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1q3r h LYS 471 Cb 0.91 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1q3r h LYS 471 CO 0.06 0.65 -0.05 -0.97 -0.57 0.00 0.00 179.45 178.57 1q3r h ASN 472 N 1.02 -0.13 -0.38 0.86 -0.00 -0.88 -3.40 115.58 112.68 1q3r h ASN 472 Ca 0.39 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.54 1q3r h ASN 472 Cb 0.20 0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.54 1q3r h ASN 472 CO -0.14 0.17 -0.33 0.03 -0.00 0.00 0.00 177.43 177.15 1q3r h ARG 473 N -0.68 0.89 0.00 6.67 3.08 -0.95 -3.50 114.38 119.90 1q3r h ARG 473 Ca -0.02 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1q3r h ARG 473 Cb 0.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1q3r h ARG 473 CO 0.03 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 180.44 1q3r n GLY 474 N 0.10 1.99 0.39 0.04 0.00 0.10 -4.91 105.19 102.91 1q3r n GLY 474 Ca -0.02 -1.96 0.33 0.00 0.00 0.00 0.00 46.02 44.37 1q3r n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q3r n LEU 475 N 0.00 0.18 -0.26 0.99 4.32 -1.26 -0.97 117.00 120.00 1q3r n LEU 475 Ca 0.00 1.17 0.14 0.00 -0.02 0.00 0.00 56.01 57.30 1q3r n LEU 475 Cb 0.00 -0.57 0.69 0.00 -1.62 0.00 0.00 43.42 41.92 1q3r n LEU 475 CO 0.00 -1.27 0.96 0.61 -1.22 0.00 0.00 177.39 176.47 1q3r n GLY 476 N -1.43 -0.45 3.68 -0.72 0.00 -1.26 -4.65 105.19 100.36 1q3r n GLY 476 Ca 0.34 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1q3r n GLY 476 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3r s ILE 477 N -1.99 4.28 0.01 -0.61 -1.09 -0.14 -0.42 121.20 121.24 1q3r s ILE 477 Ca 0.41 1.58 0.00 0.00 -2.23 0.00 0.00 60.65 60.42 1q3r s ILE 477 Cb 0.21 -4.02 -0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1q3r s ILE 477 CO 0.34 -0.04 0.01 0.61 -1.23 0.00 0.00 174.94 174.63 1q3r n GLY 478 N 3.43 3.58 3.66 6.18 0.00 -0.08 -4.05 105.19 117.91 1q3r n GLY 478 Ca 0.12 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.23 5.21 -0.84 -0.61 1.01 0.18 -0.77 121.20 123.15 1q3r s ILE 479 Ca 0.01 0.62 -0.17 0.00 0.00 0.00 0.00 60.65 61.12 1q3r s ILE 479 Cb 0.00 -3.70 0.17 0.00 0.01 0.00 0.00 42.46 38.94 1q3r s ILE 479 CO 0.01 0.25 0.91 -0.62 0.00 0.00 0.00 174.94 175.49 1q3r s ASP 480 N 1.14 6.63 0.46 3.58 3.68 -0.69 -4.56 116.67 126.91 1q3r s ASP 480 Ca 0.17 -2.25 0.15 0.00 2.13 0.00 0.00 52.55 52.75 1q3r s ASP 480 Cb -0.15 -2.30 1.11 0.00 -1.45 0.00 0.00 42.92 40.13 1q3r s ASP 480 CO 0.08 -0.85 2.03 -0.37 0.13 0.00 0.00 175.17 176.18 1q3r h VAL 481 N 5.38 0.92 -0.40 1.11 -1.51 -1.93 0.55 116.25 120.37 1q3r h VAL 481 Ca 0.07 -0.10 -0.04 0.00 -1.23 0.00 0.00 66.70 65.40 1q3r h VAL 481 Cb 1.04 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 1q3r h VAL 481 CO 0.95 0.05 0.08 -0.26 -1.23 0.00 0.00 177.57 177.16 1q3r h PHE 482 N 0.29 0.69 -0.02 5.19 0.04 -1.95 -2.79 116.94 118.38 1q3r h PHE 482 Ca 0.20 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1q3r h PHE 482 Cb 0.43 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1q3r h PHE 482 CO -0.00 0.67 -0.09 0.39 -0.60 0.00 0.00 178.31 178.68 1q3r n GLU 483 N -4.54 1.64 -3.88 1.51 4.71 -0.85 -4.97 120.64 114.26 1q3r n GLU 483 Ca -0.01 -1.13 -0.29 0.00 -0.01 0.00 0.00 57.16 55.73 1q3r n GLU 483 Cb 0.22 -1.48 0.03 0.00 -1.01 0.00 0.00 31.44 29.20 1q3r n GLU 483 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1q3r n GLY 484 N 1.27 -0.46 3.33 0.62 0.00 0.19 -4.98 105.19 105.16 1q3r n GLY 484 Ca 0.16 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -6.52 0.99 0.73 1.61 -2.85 -1.13 -4.99 119.74 107.56 1q3r s LYS 485 Ca 0.55 -0.45 -0.16 0.00 -1.00 0.00 0.00 55.97 54.91 1q3r s LYS 485 Cb -0.28 0.44 0.03 0.00 -2.06 0.00 0.00 37.83 35.97 1q3r s LYS 485 CO 0.83 -0.36 1.21 -2.30 0.10 0.00 0.00 175.35 174.83 1q3r n PRO 486 N 0.25 0.63 -3.66 1.78 -0.02 -1.26 -1.71 135.00 131.01 1q3r n PRO 486 Ca -0.18 0.28 -0.08 0.00 -2.02 0.00 0.00 63.50 61.50 1q3r n PRO 486 Cb 0.61 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.76 -1.49 -0.59 3.55 0.00 0.05 -4.76 121.76 116.76 1q3r s ALA 487 Ca 0.78 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1q3r s ALA 487 Cb -0.34 0.77 0.05 0.00 0.00 0.00 0.00 23.12 23.60 1q3r s ALA 487 CO 0.46 -0.91 0.93 0.34 0.00 0.00 0.00 175.76 176.58 1q3r s ASP 488 N -2.82 6.27 0.37 0.00 3.68 -1.26 -0.91 116.67 122.01 1q3r s ASP 488 Ca 0.07 -0.61 0.08 0.00 2.13 0.00 0.00 52.55 54.22 1q3r s ASP 488 Cb -0.03 -2.42 0.80 0.00 -1.45 0.00 0.00 42.92 39.82 1q3r s ASP 488 CO -0.02 -1.28 1.95 0.24 0.13 0.00 0.00 175.17 176.19 1q3r h MET 489 N 9.38 0.67 0.22 4.34 2.86 -1.06 -2.05 114.93 129.29 1q3r h MET 489 Ca -0.27 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1q3r h MET 489 Cb 1.07 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1q3r h MET 489 CO 1.11 0.44 -0.10 -0.07 1.06 0.00 0.00 176.91 179.35 1q3r h LEU 490 N 0.69 -0.25 -0.53 1.22 4.07 -1.80 -0.67 115.31 118.05 1q3r h LEU 490 Ca 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.26 1q3r h LEU 490 Cb 0.36 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1q3r h LEU 490 CO -0.11 -0.17 0.26 -0.33 -1.08 0.00 0.00 178.44 177.01 1q3r h GLU 491 N -0.30 0.75 0.00 1.13 4.39 -1.86 -2.07 114.58 116.63 1q3r h GLU 491 Ca -0.03 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1q3r h GLU 491 Cb 0.23 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1q3r h GLU 491 CO 0.05 0.62 0.00 0.87 -1.16 0.00 0.00 179.01 179.39 1q3r h LYS 492 N 0.70 0.00 0.00 2.33 1.79 -1.19 -3.45 116.57 116.76 1q3r h LYS 492 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1q3r h LYS 492 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1q3r h LYS 492 CO -0.02 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 1q3r n GLY 493 N -1.03 0.72 3.56 3.86 0.00 -0.39 -4.97 105.19 106.94 1q3r n GLY 493 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.59 3.69 0.04 -0.61 1.01 -0.43 -4.74 121.20 117.57 1q3r s ILE 494 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1q3r s ILE 494 Cb 0.00 -4.62 -0.02 0.00 0.01 0.00 0.00 42.46 37.83 1q3r s ILE 494 CO 0.00 -1.54 -0.11 -0.51 0.00 0.00 0.00 174.94 172.78 1q3r s ILE 495 N 6.98 0.85 0.12 2.92 1.10 -1.26 -2.23 121.20 129.67 1q3r s ILE 495 Ca 0.53 -1.03 0.01 0.00 -0.51 0.00 0.00 60.65 59.65 1q3r s ILE 495 Cb -0.05 -0.83 -0.04 0.00 0.15 0.00 0.00 42.46 41.69 1q3r s ILE 495 CO 0.01 -0.17 -0.02 -1.83 -2.11 0.00 0.00 174.94 170.81 1q3r s GLU 496 N -1.34 0.89 0.53 3.50 -1.05 -0.34 -4.33 118.70 116.56 1q3r s GLU 496 Ca -0.03 -1.39 -0.20 0.00 -0.15 0.00 0.00 54.97 53.20 1q3r s GLU 496 Cb -0.09 -0.06 -0.06 0.00 -0.44 0.00 0.00 34.13 33.48 1q3r s GLU 496 CO 0.01 -0.11 1.13 -2.14 0.95 0.00 0.00 175.26 175.10 1q3r s PRO 497 N -3.91 3.40 0.23 -4.83 0.02 -1.26 -0.20 135.00 128.45 1q3r s PRO 497 Ca 0.17 1.62 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 1q3r s PRO 497 Cb 0.06 -2.04 0.22 0.00 0.02 0.00 0.00 34.50 32.76 1q3r s PRO 497 CO -0.02 -0.81 1.86 1.25 -0.33 0.00 0.00 177.00 178.95 1q3r h LEU 498 N 1.28 1.13 -1.55 -5.54 6.46 -1.76 -2.64 115.31 112.70 1q3r h LEU 498 Ca -0.50 -0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.25 1q3r h LEU 498 Cb 1.26 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 1q3r h LEU 498 CO 0.57 0.90 0.41 -0.09 -0.62 0.00 0.00 178.44 179.61 1q3r h ARG 499 N 1.28 0.52 0.08 1.25 2.43 -1.92 -1.16 114.38 116.85 1q3r h ARG 499 Ca 0.32 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1q3r h ARG 499 Cb 0.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1q3r h ARG 499 CO -0.05 0.34 -0.12 0.28 -1.51 0.00 0.00 179.97 178.91 1q3r h VAL 500 N 0.53 0.71 -0.17 0.20 2.07 -1.78 -0.26 116.25 117.57 1q3r h VAL 500 Ca 0.28 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.68 1q3r h VAL 500 Cb 0.40 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1q3r h VAL 500 CO -0.08 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.59 1q3r h LYS 501 N -0.25 0.39 0.61 1.57 1.63 -1.53 -1.19 116.57 117.80 1q3r h LYS 501 Ca 0.02 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1q3r h LYS 501 Cb 0.26 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1q3r h LYS 501 CO -0.07 0.74 -0.30 0.87 -3.45 0.00 0.00 179.45 177.25 1q3r h LYS 502 N 0.32 -0.80 -0.61 1.90 1.79 -0.93 -1.94 116.57 116.30 1q3r h LYS 502 Ca 0.03 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1q3r h LYS 502 Cb 0.87 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 1q3r h LYS 502 CO 0.07 -0.48 0.25 0.37 -1.08 0.00 0.00 179.45 178.58 1q3r h GLN 503 N -1.02 0.89 -0.05 3.15 5.75 -1.08 -1.40 115.11 121.35 1q3r h GLN 503 Ca -0.08 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.29 1q3r h GLN 503 Cb 0.68 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1q3r h GLN 503 CO 0.14 0.72 -0.04 0.00 -2.65 0.00 0.00 178.83 177.00 1q3r h ALA 504 N 1.40 0.00 -0.14 3.38 0.00 -1.18 -0.63 119.26 122.09 1q3r h ALA 504 Ca 0.21 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1q3r h ALA 504 Cb 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1q3r h ALA 504 CO -0.02 -0.52 -0.40 0.82 0.00 0.00 0.00 179.25 179.13 1q3r h ILE 505 N -0.05 1.31 0.53 0.00 1.08 -1.09 -2.32 117.51 116.96 1q3r h ILE 505 Ca 0.04 -1.51 -0.03 0.00 -0.39 0.00 0.00 64.86 62.97 1q3r h ILE 505 Cb 0.11 1.64 0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1q3r h ILE 505 CO -0.09 0.46 -0.25 0.11 -0.69 0.00 0.00 178.15 177.69 1q3r h LYS 506 N 0.25 -0.68 -0.23 2.37 1.57 -0.86 -1.72 116.57 117.27 1q3r h LYS 506 Ca 0.02 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1q3r h LYS 506 Cb 0.82 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1q3r h LYS 506 CO 0.07 -0.38 0.12 0.77 -0.57 0.00 0.00 179.45 179.46 1q3r h SER 507 N -0.98 0.19 0.10 0.86 0.02 -1.16 -1.71 113.55 110.87 1q3r h SER 507 Ca -0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1q3r h SER 507 Cb 0.62 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1q3r h SER 507 CO 0.12 0.14 -0.09 0.00 -1.14 0.00 0.00 176.83 175.87 1q3r h ALA 508 N 1.11 -0.17 0.24 3.77 0.00 -1.50 -0.99 119.26 121.72 1q3r h ALA 508 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1q3r h ALA 508 Cb 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1q3r h ALA 508 CO -0.05 -0.61 -0.42 0.77 0.00 0.00 0.00 179.25 178.94 1q3r h SER 509 N -0.20 -1.20 -0.93 0.00 0.02 -1.18 0.12 113.55 110.18 1q3r h SER 509 Ca 0.00 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1q3r h SER 509 Cb 0.19 0.43 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 1q3r h SER 509 CO -0.02 -0.52 0.61 -0.33 -1.14 0.00 0.00 176.83 175.42 1q3r h GLU 510 N -0.74 1.07 -0.32 3.45 5.08 -1.28 0.88 114.58 122.72 1q3r h GLU 510 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1q3r h GLU 510 Cb 0.71 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1q3r h GLU 510 CO -0.17 0.71 -0.09 0.00 -1.00 0.00 0.00 179.01 178.46 1q3r h ALA 511 N 1.48 0.44 0.13 3.43 0.00 -0.81 -1.39 119.26 122.54 1q3r h ALA 511 Ca 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1q3r h ALA 511 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1q3r h ALA 511 CO -0.14 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 1q3r h ALA 512 N 0.79 -0.17 -0.12 0.00 0.00 -0.07 -1.09 119.26 118.60 1q3r h ALA 512 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1q3r h ALA 512 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1q3r h ALA 512 CO 0.03 -0.55 0.08 0.82 0.00 0.00 0.00 179.25 179.64 1q3r h ILE 513 N -0.26 1.01 0.03 0.00 2.04 -0.82 0.22 117.51 119.73 1q3r h ILE 513 Ca -0.02 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1q3r h ILE 513 Cb 0.21 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1q3r h ILE 513 CO 0.03 0.02 -0.01 -0.03 0.00 0.00 0.00 178.15 178.16 1q3r h MET 514 N 0.12 -0.04 -0.87 2.37 4.05 -0.82 -2.98 114.93 116.76 1q3r h MET 514 Ca 0.05 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1q3r h MET 514 Cb 0.04 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 1q3r h MET 514 CO -0.01 0.50 0.58 0.82 0.23 0.00 0.00 176.91 179.03 1q3r h ILE 515 N -0.60 1.22 0.00 1.77 2.04 -0.71 -2.16 117.51 119.07 1q3r h ILE 515 Ca -0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1q3r h ILE 515 Cb 0.56 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1q3r h ILE 515 CO 0.01 0.21 -0.01 0.25 0.00 0.00 0.00 178.15 178.61 1q3r h LEU 516 N 1.18 0.00 0.00 1.44 5.85 -0.59 -2.13 115.31 121.05 1q3r h LEU 516 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1q3r h LEU 516 Cb -0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1q3r h LEU 516 CO -0.07 0.01 -0.44 0.54 -0.34 0.00 0.00 178.44 178.14 1q3r n ARG 517 N -3.35 0.09 -2.45 1.25 1.74 -0.81 -4.85 116.66 108.28 1q3r n ARG 517 Ca -0.03 0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1q3r n ARG 517 Cb 0.10 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 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 -3.05 4.19 -0.12 0.55 1.01 -0.80 -4.86 121.20 118.11 1q3r s ILE 518 Ca 0.10 1.35 0.17 0.00 0.00 0.00 0.00 60.65 62.27 1q3r s ILE 518 Cb 0.16 -4.19 0.26 0.00 0.01 0.00 0.00 42.46 38.71 1q3r s ILE 518 CO 0.68 -0.47 1.14 -0.90 0.00 0.00 0.00 174.94 175.38 1q3r n ASP 519 N 7.50 2.24 -3.46 3.58 5.75 -1.26 -4.51 116.55 126.40 1q3r n ASP 519 Ca 0.14 -2.99 0.01 0.00 -0.01 0.00 0.00 54.79 51.94 1q3r n ASP 519 Cb 0.47 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 -2.71 -0.96 -0.17 -1.12 3.68 -1.26 -0.38 116.67 113.76 1q3r s ASP 520 Ca 0.29 1.13 0.00 0.00 2.13 0.00 0.00 52.55 56.10 1q3r s ASP 520 Cb 0.25 2.02 0.01 0.00 -1.45 0.00 0.00 42.92 43.75 1q3r s ASP 520 CO 0.03 -0.18 -0.16 -0.69 0.13 0.00 0.00 175.17 174.30 1q3r s VAL 521 N 2.75 2.51 -0.27 1.11 1.01 0.20 -4.99 120.40 122.72 1q3r s VAL 521 Ca -0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1q3r s VAL 521 Cb -0.10 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.28 1q3r s VAL 521 CO -0.18 0.51 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 1q3r s ILE 522 N 1.05 1.47 -0.11 2.22 1.01 -1.26 -1.45 121.20 124.12 1q3r s ILE 522 Ca -0.01 -1.44 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 1q3r s ILE 522 Cb -0.15 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1q3r s ILE 522 CO -0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 174.94 174.50 1q3r s ALA 523 N 1.38 2.96 0.97 9.38 0.00 -0.40 -4.98 121.76 131.06 1q3r s ALA 523 Ca 0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1q3r s ALA 523 Cb -0.18 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.62 1q3r s ALA 523 CO -0.11 0.40 0.26 0.00 0.00 0.00 0.00 175.76 176.31 1q3r n ALA 524 N 2.87 -0.28 -2.76 0.00 0.00 -1.26 0.58 120.51 119.66 1q3r n ALA 524 Ca -0.18 -0.35 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 1q3r n ALA 524 Cb 0.53 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1q3r n ALA 524 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1q3r s LYS 525 N -3.54 3.63 0.00 0.00 2.20 -1.26 -4.57 119.74 116.21 1q3r s LYS 525 Ca 0.15 0.04 0.29 0.00 -0.36 0.00 0.00 55.97 56.08 1q3r s LYS 525 Cb -0.00 -3.21 1.71 0.00 -1.51 0.00 0.00 37.83 34.81 1q3r s LYS 525 CO 0.10 0.72 2.05 0.00 -0.36 0.00 0.00 175.35 177.86