#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 3.43 -0.25 2.52 1.01 -1.26 -4.80 120.40 121.05 1q3r s VAL 10 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 1q3r s VAL 10 Cb 0.00 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 1q3r s VAL 10 CO 0.00 -1.09 -0.15 -0.38 0.00 0.00 0.00 175.10 173.48 1q3r n ILE 11 N 7.14 1.54 -3.78 2.22 2.08 -1.26 -4.98 119.36 122.31 1q3r n ILE 11 Ca 0.20 -0.31 -0.29 0.00 0.56 0.00 0.00 62.75 62.91 1q3r n ILE 11 Cb 0.51 -1.88 -0.04 0.00 -0.75 0.00 0.00 39.64 37.48 1q3r n ILE 11 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1q3r s LEU 12 N -7.51 4.28 0.31 1.39 1.43 -1.26 -5.09 118.68 112.23 1q3r s LEU 12 Ca -0.35 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 1q3r s LEU 12 Cb 0.12 -3.11 -0.10 0.00 0.03 0.00 0.00 46.19 43.13 1q3r s LEU 12 CO 0.54 0.03 1.21 -2.84 0.23 0.00 0.00 176.35 175.52 1q3r s PRO 13 N -3.04 4.48 0.28 1.29 0.02 -1.26 -4.97 135.00 131.80 1q3r s PRO 13 Ca 0.38 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 1q3r s PRO 13 Cb -0.12 -3.12 -0.12 0.00 0.02 0.00 0.00 34.50 31.17 1q3r s PRO 13 CO 0.28 -0.01 1.54 -0.85 -0.33 0.00 0.00 177.00 177.63 1q3r n GLU 14 N 0.96 2.51 0.00 5.54 -0.00 -1.26 -1.79 120.64 126.59 1q3r n GLU 14 Ca -0.00 0.89 0.00 0.00 -0.00 0.00 0.00 57.16 58.05 1q3r n GLU 14 Cb 0.43 -2.64 0.00 0.00 -0.00 0.00 0.00 31.44 29.24 1q3r n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q3r n GLY 15 N 2.13 0.77 3.77 -1.84 0.00 -1.26 -4.86 105.19 103.90 1q3r n GLY 15 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.07 4.04 -0.01 2.61 2.01 -0.74 -3.48 115.64 118.00 1q3r s THR 16 Ca 0.00 1.78 0.06 0.00 0.31 0.00 0.00 61.69 63.85 1q3r s THR 16 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1q3r s THR 16 CO 0.00 0.22 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.86 1q3r s GLN 17 N -1.86 2.20 -0.06 4.92 -0.21 0.23 -4.96 119.66 119.92 1q3r s GLN 17 Ca 0.49 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 54.93 1q3r s GLN 17 Cb -0.22 -2.19 0.02 0.00 1.00 0.00 0.00 33.01 31.62 1q3r s GLN 17 CO 0.28 0.57 0.16 0.50 -2.12 0.00 0.00 175.29 174.67 1q3r s ARG 18 N -0.95 0.17 0.02 2.91 3.52 -1.26 -0.50 118.95 122.86 1q3r s ARG 18 Ca 0.12 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 56.01 1q3r s ARG 18 Cb -0.10 0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.31 1q3r s ARG 18 CO 0.02 -0.05 -0.12 0.71 -0.81 0.00 0.00 175.30 175.05 1q3r s TYR 19 N 0.28 1.04 0.05 5.12 1.51 -0.56 -4.98 117.35 119.82 1q3r s TYR 19 Ca -0.02 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1q3r s TYR 19 Cb -0.03 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.15 1q3r s TYR 19 CO -0.01 0.01 -0.04 0.14 -1.11 0.00 0.00 175.55 174.54 1q3r s VAL 20 N -0.71 0.28 0.00 0.71 -7.23 -1.26 -1.15 120.40 111.03 1q3r s VAL 20 Ca 0.01 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1q3r s VAL 20 Cb -0.07 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1q3r s VAL 20 CO 0.01 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.62 1q3r n GLY 21 N 0.62 2.91 0.44 2.32 0.00 -0.55 -1.88 105.19 109.05 1q3r n GLY 21 Ca -0.17 -0.25 0.25 0.00 0.00 0.00 0.00 46.02 45.85 1q3r n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q3r h ARG 22 N 0.00 0.00 -0.20 1.61 2.43 -1.97 -0.43 114.38 115.81 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 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1q3r h ARG 22 CO 0.00 0.00 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.60 1q3r h ASP 23 N 0.00 0.72 -0.46 -3.80 3.45 -1.76 0.35 116.42 114.92 1q3r h ASP 23 Ca 0.35 -0.55 -0.06 0.00 0.43 0.00 0.00 57.03 57.19 1q3r h ASP 23 Cb 1.49 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 40.03 1q3r h ASP 23 CO -0.00 1.14 0.07 0.00 -1.57 0.00 0.00 179.24 178.88 1q3r h ALA 24 N 0.60 1.14 -0.00 3.45 0.00 -1.06 -1.18 119.26 122.20 1q3r h ALA 24 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1q3r h ALA 24 Cb 1.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1q3r h ALA 24 CO 0.09 0.57 -0.03 1.96 0.00 0.00 0.00 179.25 181.84 1q3r h GLN 25 N 0.79 0.03 -0.14 0.00 4.20 -1.25 -1.61 115.11 117.13 1q3r h GLN 25 Ca 0.16 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.90 1q3r h GLN 25 Cb 0.38 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 1q3r h GLN 25 CO 0.01 0.75 -0.33 -0.09 -0.67 0.00 0.00 178.83 178.50 1q3r h ARG 26 N -0.69 -0.39 0.33 1.46 2.43 -0.23 0.19 114.38 117.48 1q3r h ARG 26 Ca -0.00 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1q3r h ARG 26 Cb 0.76 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1q3r h ARG 26 CO 0.01 -0.26 -0.33 -0.07 -1.51 0.00 0.00 179.97 177.81 1q3r h LEU 27 N -0.40 -0.89 -0.49 3.80 -0.00 -1.28 0.55 115.31 116.60 1q3r h LEU 27 Ca 0.10 0.08 0.04 0.00 -0.00 0.00 0.00 57.88 58.10 1q3r h LEU 27 Cb 0.56 0.30 -0.04 0.00 -0.00 0.00 0.00 40.66 41.48 1q3r h LEU 27 CO -0.36 -0.47 0.24 0.78 -0.00 0.00 0.00 178.44 178.63 1q3r h ASN 28 N -0.69 0.34 -0.40 -0.43 -0.26 -1.00 -0.91 115.58 112.23 1q3r h ASN 28 Ca -0.02 0.03 -0.13 0.00 -0.56 0.00 0.00 56.30 55.62 1q3r h ASN 28 Cb 0.62 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 1q3r h ASN 28 CO -0.06 0.24 -0.27 0.40 -1.06 0.00 0.00 177.43 176.67 1q3r h ILE 29 N 0.47 1.28 -0.82 2.81 2.04 -0.50 -1.64 117.51 121.14 1q3r h ILE 29 Ca 0.22 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 1q3r h ILE 29 Cb 0.13 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1q3r h ILE 29 CO -0.16 0.48 0.41 0.25 0.00 0.00 0.00 178.15 179.13 1q3r h LEU 30 N 0.71 1.06 0.54 1.44 6.46 -0.67 0.14 115.31 124.99 1q3r h LEU 30 Ca 0.08 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1q3r h LEU 30 Cb 0.85 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1q3r h LEU 30 CO 0.07 0.89 -0.26 0.00 -0.62 0.00 0.00 178.44 178.52 1q3r h ALA 31 N 1.28 -0.72 -0.61 1.25 0.00 -1.00 -1.06 119.26 118.39 1q3r h ALA 31 Ca 0.28 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1q3r h ALA 31 Cb 0.10 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1q3r h ALA 31 CO -0.04 -0.88 0.31 0.00 0.00 0.00 0.00 179.25 178.64 1q3r h ALA 32 N -0.33 0.81 -0.78 0.00 0.00 -0.93 -1.79 119.26 116.24 1q3r h ALA 32 Ca -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1q3r h ALA 32 Cb 0.58 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1q3r h ALA 32 CO 0.12 -0.05 0.34 0.00 0.00 0.00 0.00 179.25 179.66 1q3r h ARG 33 N 0.57 1.14 -0.18 0.00 3.08 -0.62 -1.62 114.38 116.74 1q3r h ARG 33 Ca 0.28 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1q3r h ARG 33 Cb 0.23 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1q3r h ARG 33 CO -0.21 0.90 0.03 0.82 -1.07 0.00 0.00 179.97 180.45 1q3r h ILE 34 N 1.12 1.22 -0.28 2.04 2.04 -0.61 0.26 117.51 123.30 1q3r h ILE 34 Ca 0.26 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1q3r h ILE 34 Cb 0.17 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1q3r h ILE 34 CO -0.03 0.22 0.10 -0.29 0.00 0.00 0.00 178.15 178.15 1q3r h ILE 35 N 0.09 1.12 -0.08 -0.67 6.09 -1.21 -0.29 117.51 122.56 1q3r h ILE 35 Ca 0.06 -0.38 -0.23 0.00 -1.37 0.00 0.00 64.86 62.93 1q3r h ILE 35 Cb 0.30 0.79 0.01 0.00 0.47 0.00 0.00 36.82 38.40 1q3r h ILE 35 CO 0.00 0.14 -0.87 0.00 -3.07 0.00 0.00 178.15 174.36 1q3r h ALA 36 N 1.72 0.31 0.00 0.18 0.00 -0.83 -2.99 119.26 117.65 1q3r h ALA 36 Ca 0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1q3r h ALA 36 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1q3r h ALA 36 CO -0.01 0.71 -0.17 0.93 0.00 0.00 0.00 179.25 180.71 1q3r h GLU 37 N 0.42 0.00 0.07 0.00 5.08 0.34 -1.73 114.58 118.76 1q3r h GLU 37 Ca -0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1q3r h GLU 37 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1q3r h GLU 37 CO 0.17 0.17 -0.03 1.15 -1.00 0.00 0.00 179.01 179.47 1q3r h THR 38 N 0.00 1.22 0.00 1.13 2.02 -0.94 -3.26 112.91 113.08 1q3r h THR 38 Ca -0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1q3r h THR 38 Cb 0.45 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1q3r h THR 38 CO 0.02 0.26 -0.07 1.62 0.37 0.00 0.00 175.52 177.73 1q3r h VAL 39 N -0.59 0.00 -0.98 3.16 3.04 -1.51 -3.34 116.25 116.04 1q3r h VAL 39 Ca -0.01 -0.60 0.18 0.00 -1.01 0.00 0.00 66.70 65.26 1q3r h VAL 39 Cb 0.50 1.55 -0.09 0.00 -2.01 0.00 0.00 31.29 31.24 1q3r h VAL 39 CO 0.02 0.00 0.61 -0.09 -1.01 0.00 0.00 177.57 177.10 1q3r h ARG 40 N 0.00 0.70 0.00 4.17 2.43 -1.35 -2.27 114.38 118.06 1q3r h ARG 40 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1q3r h ARG 40 Cb 0.80 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1q3r h ARG 40 CO 0.00 0.46 0.00 0.25 -1.51 0.00 0.00 179.97 179.17 1q3r n THR 41 N -4.67 0.81 1.05 0.20 -2.24 -1.25 -2.19 114.28 105.98 1q3r n THR 41 Ca 0.21 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.31 1q3r n THR 41 Cb 0.56 -1.06 0.06 0.00 -2.10 0.00 0.00 70.33 67.79 1q3r n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q3r n THR 42 N -1.28 0.00 -2.36 4.28 -2.24 -0.85 -1.93 114.28 109.89 1q3r n THR 42 Ca 0.04 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1q3r n THR 42 Cb 0.07 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1q3r n THR 42 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1q3r s LEU 43 N -2.66 4.43 0.00 3.22 2.96 -0.93 -4.23 118.68 121.48 1q3r s LEU 43 Ca 0.16 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.29 1q3r s LEU 43 Cb 0.18 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1q3r s LEU 43 CO 0.65 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 1q3r n GLY 44 N 2.40 -0.45 0.45 7.98 0.00 -1.26 -3.70 105.19 110.62 1q3r n GLY 44 Ca 0.05 -1.72 0.26 0.00 0.00 0.00 0.00 46.02 44.62 1q3r n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q3r h PRO 45 N 0.00 0.00 -0.30 1.61 0.11 -1.88 0.23 132.00 131.77 1q3r h PRO 45 Ca 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 1q3r h PRO 45 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 1q3r h PRO 45 CO 0.00 0.00 -0.31 1.63 -0.21 0.00 0.00 178.00 179.11 1q3r n LYS 46 N -3.86 2.01 -3.04 1.05 5.02 -1.26 -4.13 118.16 113.94 1q3r n LYS 46 Ca 0.16 -3.38 -0.35 0.00 -2.02 0.00 0.00 58.31 52.72 1q3r n LYS 46 Cb 0.95 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.93 2.55 0.54 0.72 0.00 0.81 -4.57 107.32 104.44 1q3r s GLY 47 Ca 0.44 0.21 0.09 0.00 0.00 0.00 0.00 44.72 45.46 1q3r s GLY 47 CO -0.02 0.53 0.74 1.06 0.00 0.00 0.00 173.10 175.41 1q3r s MET 48 N -2.35 2.43 0.33 2.90 -1.94 -0.81 -4.84 119.30 115.01 1q3r s MET 48 Ca 0.49 -1.53 0.08 0.00 -1.71 0.00 0.00 55.69 53.01 1q3r s MET 48 Cb -0.15 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 1q3r s MET 48 CO 0.20 -0.73 0.16 -0.51 -0.01 0.00 0.00 175.02 174.13 1q3r s ASP 49 N -4.59 4.80 0.10 3.03 1.01 -1.26 -4.16 116.67 115.60 1q3r s ASP 49 Ca 0.60 -0.70 0.10 0.00 0.71 0.00 0.00 52.55 53.26 1q3r s ASP 49 Cb -0.07 -0.80 -0.04 0.00 1.01 0.00 0.00 42.92 43.03 1q3r s ASP 49 CO 0.38 -0.28 -0.27 -0.54 0.21 0.00 0.00 175.17 174.67 1q3r s LYS 50 N -3.86 1.52 -0.26 8.23 1.02 0.15 -4.97 119.74 121.58 1q3r s LYS 50 Ca 0.38 -1.26 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 1q3r s LYS 50 Cb -0.03 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1q3r s LYS 50 CO 0.23 0.47 -0.00 1.41 -0.92 0.00 0.00 175.35 176.54 1q3r s MET 51 N -1.78 3.10 -0.24 1.68 -2.45 -1.26 -1.88 119.30 116.47 1q3r s MET 51 Ca 0.13 -0.82 -0.05 0.00 -1.25 0.00 0.00 55.69 53.70 1q3r s MET 51 Cb -0.10 -3.14 -0.00 0.00 1.25 0.00 0.00 34.83 32.84 1q3r s MET 51 CO 0.05 -0.35 -0.00 -0.51 1.05 0.00 0.00 175.02 175.25 1q3r s LEU 52 N 1.44 3.21 -0.26 4.11 1.43 0.19 -4.93 118.68 123.87 1q3r s LEU 52 Ca 0.03 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1q3r s LEU 52 Cb -0.16 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1q3r s LEU 52 CO -0.01 -0.07 -0.01 -0.69 0.23 0.00 0.00 176.35 175.79 1q3r s VAL 53 N 1.49 3.27 0.92 -1.59 1.01 -1.26 -0.14 120.40 124.10 1q3r s VAL 53 Ca 0.05 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 1q3r s VAL 53 Cb -0.15 -2.66 0.21 0.00 0.00 0.00 0.00 36.38 33.78 1q3r s VAL 53 CO -0.01 0.18 1.24 -0.90 0.00 0.00 0.00 175.10 175.60 1q3r n ASP 54 N 4.74 0.05 0.26 3.32 5.68 -0.64 -4.88 116.55 125.09 1q3r n ASP 54 Ca -0.16 -1.44 0.18 0.00 -0.50 0.00 0.00 54.79 52.87 1q3r n ASP 54 Cb 0.48 -0.95 0.88 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.65 0.00 -0.74 -1.12 4.64 -1.98 -1.01 113.55 111.69 1q3r h SER 55 Ca -0.40 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.68 1q3r h SER 55 Cb 1.11 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.05 1q3r h SER 55 CO 0.28 0.00 0.29 0.18 -0.87 0.00 0.00 176.83 176.71 1q3r n LEU 56 N -3.29 6.02 -0.07 5.97 4.32 -1.26 -4.92 117.00 123.77 1q3r n LEU 56 Ca 0.00 -3.29 -0.01 0.00 -0.02 0.00 0.00 56.01 52.70 1q3r n LEU 56 Cb 0.35 -0.75 -0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1q3r n LEU 56 CO 0.20 0.85 -0.01 0.61 -1.22 0.00 0.00 177.39 177.83 1q3r n GLY 57 N -0.32 0.12 3.72 -0.72 0.00 -0.38 -4.94 105.19 102.67 1q3r n GLY 57 Ca 0.42 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.04 7.12 -0.15 1.61 2.15 -1.26 -4.83 116.67 119.27 1q3r s ASP 58 Ca 0.00 2.03 -0.04 0.00 0.43 0.00 0.00 52.55 54.98 1q3r s ASP 58 Cb 0.00 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1q3r s ASP 58 CO 0.00 -0.42 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.92 1q3r s ILE 59 N 0.76 3.96 -0.10 4.11 1.01 -1.26 -1.61 121.20 128.07 1q3r s ILE 59 Ca 0.56 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.90 1q3r s ILE 59 Cb -0.29 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.46 1q3r s ILE 59 CO 0.31 0.51 -0.15 -0.69 0.00 0.00 0.00 174.94 174.91 1q3r s VAL 60 N 0.21 1.45 -0.34 2.92 1.01 0.80 -4.96 120.40 121.50 1q3r s VAL 60 Ca -0.02 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1q3r s VAL 60 Cb -0.14 -1.32 0.09 0.00 0.00 0.00 0.00 36.38 35.02 1q3r s VAL 60 CO 0.03 0.43 0.05 -0.69 0.00 0.00 0.00 175.10 174.91 1q3r s VAL 61 N 0.88 2.43 0.37 2.92 1.01 -1.26 0.56 120.40 127.31 1q3r s VAL 61 Ca -0.09 -2.17 0.06 0.00 0.00 0.00 0.00 61.98 59.78 1q3r s VAL 61 Cb -0.15 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1q3r s VAL 61 CO 0.00 -0.51 0.24 0.42 0.00 0.00 0.00 175.10 175.25 1q3r s THR 62 N 0.97 0.18 0.00 3.92 -4.23 -0.79 -4.75 115.64 110.95 1q3r s THR 62 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1q3r s THR 62 Cb -0.20 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1q3r s THR 62 CO -0.07 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.81 1q3r n ASN 63 N -1.56 0.72 -4.65 3.99 2.85 -1.26 -0.67 115.26 114.67 1q3r n ASN 63 Ca 0.03 -0.31 -0.43 0.00 -0.11 0.00 0.00 54.58 53.77 1q3r n ASN 63 Cb 0.63 0.75 -0.03 0.00 1.24 0.00 0.00 39.78 42.38 1q3r n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1q3r s ASP 64 N -0.90 6.60 0.15 1.20 2.15 -1.26 -4.89 116.67 119.72 1q3r s ASP 64 Ca 0.00 1.87 -0.17 0.00 0.43 0.00 0.00 52.55 54.68 1q3r s ASP 64 Cb 0.00 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.14 1q3r s ASP 64 CO 0.00 -1.03 1.73 1.23 -0.17 0.00 0.00 175.17 176.93 1q3r h GLY 65 N 10.75 0.38 1.00 2.66 0.00 -1.93 -1.00 103.07 114.94 1q3r h GLY 65 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1q3r h GLY 65 CO 0.98 -0.02 0.37 0.00 0.00 0.00 0.00 176.54 177.87 1q3r h ALA 66 N 1.24 0.74 -0.48 3.60 0.00 -1.87 -1.84 119.26 120.66 1q3r h ALA 66 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1q3r h ALA 66 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1q3r h ALA 66 CO -0.20 0.19 0.25 1.15 0.00 0.00 0.00 179.25 180.64 1q3r h THR 67 N 0.79 1.17 0.78 0.00 2.02 -1.86 -1.81 112.91 114.00 1q3r h THR 67 Ca 0.21 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1q3r h THR 67 Cb -0.07 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1q3r h THR 67 CO -0.04 0.19 -0.46 0.40 0.37 0.00 0.00 175.52 175.97 1q3r h ILE 68 N 0.63 0.07 -0.19 3.11 2.04 -0.86 -1.87 117.51 120.44 1q3r h ILE 68 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.05 1q3r h ILE 68 Cb 0.07 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1q3r h ILE 68 CO -0.03 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.19 1q3r h LEU 69 N -1.16 0.15 -0.51 1.44 3.38 -1.34 -0.73 115.31 116.55 1q3r h LEU 69 Ca -0.10 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1q3r h LEU 69 Cb 0.92 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1q3r h LEU 69 CO 0.12 0.11 -0.70 -0.78 0.09 0.00 0.00 178.44 177.27 1q3r h ASP 70 N 0.18 0.00 0.56 -0.43 3.58 -1.18 -3.29 116.42 115.83 1q3r h ASP 70 Ca 0.08 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.27 1q3r h ASP 70 Cb 0.10 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 1q3r h ASP 70 CO -0.01 0.70 -1.62 0.11 -2.88 0.00 0.00 179.24 175.54 1q3r h LYS 71 N 0.00 0.00 -6.91 0.28 1.79 -0.52 -3.47 116.57 107.74 1q3r h LYS 71 Ca -0.01 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.94 1q3r h LYS 71 Cb 1.29 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.01 1q3r h LYS 71 CO 0.09 0.46 0.59 0.42 -1.08 0.00 0.00 179.45 179.93 1q3r s ILE 72 N -2.67 2.83 -0.78 1.86 1.01 -0.36 -4.95 121.20 118.14 1q3r s ILE 72 Ca -0.04 0.78 -0.21 0.00 0.00 0.00 0.00 60.65 61.18 1q3r s ILE 72 Cb 0.08 -3.47 0.09 0.00 0.01 0.00 0.00 42.46 39.17 1q3r s ILE 72 CO 0.82 0.14 1.05 -0.62 0.00 0.00 0.00 174.94 176.34 1q3r s ASP 73 N -0.72 6.36 -0.08 3.58 3.68 -1.26 -4.96 116.67 123.27 1q3r s ASP 73 Ca 0.53 -1.42 -0.17 0.00 2.13 0.00 0.00 52.55 53.62 1q3r s ASP 73 Cb -0.37 -2.42 -0.05 0.00 -1.45 0.00 0.00 42.92 38.64 1q3r s ASP 73 CO 0.48 -1.30 0.44 -0.76 0.13 0.00 0.00 175.17 174.16 1q3r s LEU 74 N 3.58 4.34 -0.18 -1.34 1.43 -1.26 -5.01 118.68 120.25 1q3r s LEU 74 Ca 0.27 0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1q3r s LEU 74 Cb -0.11 -2.64 -0.21 0.00 0.03 0.00 0.00 46.19 43.25 1q3r s LEU 74 CO 0.02 0.11 0.16 0.00 0.23 0.00 0.00 176.35 176.87 1q3r n GLN 75 N 3.06 0.67 -2.21 1.70 1.13 -1.26 -4.89 117.38 115.59 1q3r n GLN 75 Ca -0.10 0.33 -0.41 0.00 -1.94 0.00 0.00 57.00 54.89 1q3r n GLN 75 Cb 0.52 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 29.17 1q3r n GLN 75 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1q3r s HIS 76 N -2.49 3.24 0.21 1.08 2.46 -1.26 -4.94 115.29 113.59 1q3r s HIS 76 Ca -0.28 1.22 -0.10 0.00 0.47 0.00 0.00 55.06 56.37 1q3r s HIS 76 Cb 0.08 -3.61 0.22 0.00 -0.13 0.00 0.00 32.58 29.13 1q3r s HIS 76 CO 0.67 -1.92 1.81 -1.35 -2.47 0.00 0.00 174.74 171.48 1q3r h PRO 77 N 5.31 0.66 -0.80 2.88 0.11 -1.99 -0.72 132.00 137.46 1q3r h PRO 77 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q3r h PRO 77 Cb 1.21 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1q3r h PRO 77 CO 0.77 0.44 0.49 0.00 -0.21 0.00 0.00 178.00 179.49 1q3r h ALA 78 N 1.33 1.02 -0.37 -0.75 0.00 -1.92 -1.45 119.26 117.13 1q3r h ALA 78 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1q3r h ALA 78 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1q3r h ALA 78 CO -0.17 0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.76 1q3r h ALA 79 N 1.26 0.48 -0.19 0.00 0.00 -1.61 -1.65 119.26 117.55 1q3r h ALA 79 Ca 0.29 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1q3r h ALA 79 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1q3r h ALA 79 CO -0.06 0.01 0.16 0.87 0.00 0.00 0.00 179.25 180.24 1q3r h LYS 80 N 0.48 0.00 0.00 0.00 1.57 -0.44 -1.15 116.57 117.03 1q3r h LYS 80 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1q3r h LYS 80 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1q3r h LYS 80 CO -0.02 0.00 -0.03 0.52 -0.57 0.00 0.00 179.45 179.35 1q3r h MET 81 N 0.00 0.00 0.00 3.15 2.86 -0.29 -2.98 114.93 117.66 1q3r h MET 81 Ca 0.09 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.56 1q3r h MET 81 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1q3r h MET 81 CO -0.00 0.03 -0.81 0.52 1.06 0.00 0.00 176.91 177.71 1q3r h MET 82 N 0.00 0.00 -0.95 1.72 2.86 -1.12 -3.15 114.93 114.29 1q3r h MET 82 Ca -0.00 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1q3r h MET 82 Cb 0.80 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 1q3r h MET 82 CO 0.00 0.81 0.61 0.28 1.06 0.00 0.00 176.91 179.67 1q3r h VAL 83 N 0.00 1.09 -0.53 -2.22 2.07 -1.46 -0.94 116.25 114.26 1q3r h VAL 83 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1q3r h VAL 83 Cb 1.58 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1q3r h VAL 83 CO 0.11 0.20 0.29 -0.33 0.02 0.00 0.00 177.57 177.86 1q3r h GLU 84 N 1.12 0.72 -0.04 1.57 5.08 -1.63 0.23 114.58 121.63 1q3r h GLU 84 Ca 0.40 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1q3r h GLU 84 Cb 0.13 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1q3r h GLU 84 CO -0.16 0.53 0.01 0.28 -1.00 0.00 0.00 179.01 178.67 1q3r h VAL 85 N 0.73 1.15 -0.79 3.13 2.07 -1.28 0.80 116.25 122.06 1q3r h VAL 85 Ca 0.19 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1q3r h VAL 85 Cb 0.02 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1q3r h VAL 85 CO -0.03 0.12 0.39 0.00 0.02 0.00 0.00 177.57 178.08 1q3r h ALA 86 N 0.83 1.02 -0.13 1.67 0.00 -0.63 -2.06 119.26 119.96 1q3r h ALA 86 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1q3r h ALA 86 Cb 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1q3r h ALA 86 CO -0.00 0.57 -0.09 -0.22 0.00 0.00 0.00 179.25 179.52 1q3r h LYS 87 N 1.12 0.29 -0.27 0.00 1.63 -0.41 -2.33 116.57 116.61 1q3r h LYS 87 Ca 0.27 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 1q3r h LYS 87 Cb 0.10 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1q3r h LYS 87 CO -0.04 0.65 -0.09 1.15 -3.45 0.00 0.00 179.45 177.68 1q3r h THR 88 N -0.07 1.21 -0.33 1.00 2.02 -0.80 -2.18 112.91 113.76 1q3r h THR 88 Ca 0.03 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1q3r h THR 88 Cb 0.57 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1q3r h THR 88 CO 0.02 0.29 0.05 -0.61 0.37 0.00 0.00 175.52 175.64 1q3r h GLN 89 N 0.41 0.55 -0.80 6.66 5.75 -1.35 -2.74 115.11 123.57 1q3r h GLN 89 Ca 0.08 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1q3r h GLN 89 Cb 0.41 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 1q3r h GLN 89 CO 0.02 0.64 0.39 0.22 -2.65 0.00 0.00 178.83 177.45 1q3r h ASP 90 N 0.37 1.04 0.13 -0.69 3.58 -1.03 -0.49 116.42 119.33 1q3r h ASP 90 Ca 0.10 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1q3r h ASP 90 Cb 0.36 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1q3r h ASP 90 CO 0.01 0.87 -0.37 0.11 -2.88 0.00 0.00 179.24 176.98 1q3r h LYS 91 N 1.14 0.33 0.07 0.28 1.57 -1.31 -2.75 116.57 115.90 1q3r h LYS 91 Ca 0.28 -0.15 -0.36 0.00 -1.87 0.00 0.00 60.65 58.55 1q3r h LYS 91 Cb 0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1q3r h LYS 91 CO -0.04 0.66 -2.09 0.39 -0.57 0.00 0.00 179.45 177.80 1q3r n GLU 92 N -4.05 0.71 0.00 3.15 -0.58 -1.04 -4.75 120.64 114.07 1q3r n GLU 92 Ca -0.01 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1q3r n GLU 92 Cb 0.46 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1q3r n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q3r n ALA 93 N -2.96 1.49 0.00 0.62 0.00 -0.21 -4.99 120.51 114.45 1q3r n ALA 93 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1q3r n ALA 93 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 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 0.88 2.31 3.91 0.00 0.00 -1.04 -4.27 105.19 106.98 1q3r n GLY 94 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.18 5.48 0.00 1.61 -0.00 -1.26 -4.36 116.67 114.96 1q3r s ASP 95 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 52.55 53.41 1q3r s ASP 95 Cb 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 42.92 41.17 1q3r s ASP 95 CO 0.00 -1.21 0.00 0.61 -0.00 0.00 0.00 175.17 174.57 1q3r n GLY 96 N -2.77 0.74 0.07 0.21 0.00 -1.26 -4.81 105.19 97.37 1q3r n GLY 96 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 1.06 -0.18 2.61 1.35 -1.87 -0.46 112.91 115.42 1q3r h THR 97 Ca 0.00 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.66 1q3r h THR 97 Cb 0.00 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1q3r h THR 97 CO 0.00 0.05 -0.07 0.74 -0.25 0.00 0.00 175.52 175.99 1q3r h THR 98 N 0.07 1.30 -0.55 6.82 2.02 -1.92 -2.95 112.91 117.70 1q3r h THR 98 Ca 0.03 -1.08 0.11 0.00 0.77 0.00 0.00 66.41 66.23 1q3r h THR 98 Cb 0.04 1.64 -0.08 0.00 -1.74 0.00 0.00 68.15 68.01 1q3r h THR 98 CO -0.01 0.32 0.07 0.74 0.37 0.00 0.00 175.52 177.01 1q3r h THR 99 N 0.06 0.62 -0.76 3.16 2.02 -1.93 0.68 112.91 116.75 1q3r h THR 99 Ca 0.04 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1q3r h THR 99 Cb 0.53 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1q3r h THR 99 CO 0.02 0.03 0.47 0.00 0.37 0.00 0.00 175.52 176.42 1q3r h ALA 100 N 1.46 1.02 -0.21 6.16 0.00 -1.06 0.08 119.26 126.71 1q3r h ALA 100 Ca 0.28 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 1q3r h ALA 100 Cb 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1q3r h ALA 100 CO -0.41 0.23 -0.58 0.28 0.00 0.00 0.00 179.25 178.77 1q3r h VAL 101 N 0.89 1.30 -0.52 0.00 2.07 -1.11 -1.99 116.25 116.90 1q3r h VAL 101 Ca 0.32 -1.81 -0.12 0.00 0.82 0.00 0.00 66.70 65.91 1q3r h VAL 101 Cb 0.09 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1q3r h VAL 101 CO -0.14 0.57 -0.16 0.58 0.02 0.00 0.00 177.57 178.44 1q3r h VAL 102 N 0.52 1.27 0.00 2.57 2.07 -0.48 -1.97 116.25 120.23 1q3r h VAL 102 Ca 0.00 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1q3r h VAL 102 Cb 1.16 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1q3r h VAL 102 CO 0.12 0.46 -0.00 0.40 0.02 0.00 0.00 177.57 178.57 1q3r h ILE 103 N 0.90 1.26 -0.88 4.57 2.04 -0.98 -2.11 117.51 122.31 1q3r h ILE 103 Ca 0.13 -0.79 0.16 0.00 1.00 0.00 0.00 64.86 65.36 1q3r h ILE 103 Cb 0.73 1.79 -0.10 0.00 -0.74 0.00 0.00 36.82 38.51 1q3r h ILE 103 CO 0.06 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.87 1q3r h ALA 104 N 0.65 1.35 -0.15 1.87 0.00 -1.28 0.29 119.26 121.99 1q3r h ALA 104 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1q3r h ALA 104 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1q3r h ALA 104 CO 0.00 -0.09 0.04 0.78 0.00 0.00 0.00 179.25 179.98 1q3r h GLY 105 N 0.64 0.25 0.99 0.00 0.00 -1.24 -2.59 103.07 101.13 1q3r h GLY 105 Ca 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1q3r h GLY 105 CO -0.37 0.14 0.33 -2.09 0.00 0.00 0.00 176.54 174.55 1q3r h GLU 106 N 0.05 0.72 -0.95 4.80 4.57 -0.52 -0.90 114.58 122.36 1q3r h GLU 106 Ca 0.05 -0.06 0.19 0.00 -1.18 0.00 0.00 59.36 58.35 1q3r h GLU 106 Cb 0.24 -0.15 -0.11 0.00 -0.16 0.00 0.00 28.75 28.57 1q3r h GLU 106 CO -0.00 0.51 0.54 1.25 -1.18 0.00 0.00 179.01 180.13 1q3r h LEU 107 N 0.72 0.66 -0.24 1.64 5.85 -0.39 0.14 115.31 123.69 1q3r h LEU 107 Ca 0.19 0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.80 1q3r h LEU 107 Cb -0.03 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1q3r h LEU 107 CO -0.04 0.22 -0.86 -0.07 -0.34 0.00 0.00 178.44 177.34 1q3r h LEU 108 N 0.67 0.58 0.32 2.25 3.38 -0.96 -2.28 115.31 119.26 1q3r h LEU 108 Ca 0.55 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1q3r h LEU 108 Cb 0.88 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1q3r h LEU 108 CO -0.40 1.21 -0.15 -0.09 0.09 0.00 0.00 178.44 179.09 1q3r h ARG 109 N 0.28 -0.42 0.00 1.13 2.43 0.49 -1.51 114.38 116.79 1q3r h ARG 109 Ca -0.06 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1q3r h ARG 109 Cb 1.48 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.13 1q3r h ARG 109 CO 0.15 -0.26 -0.00 0.87 -1.51 0.00 0.00 179.97 179.22 1q3r h LYS 110 N -0.46 0.00 0.09 0.20 1.79 -0.87 -2.53 116.57 114.78 1q3r h LYS 110 Ca -0.04 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.17 1q3r h LYS 110 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1q3r h LYS 110 CO 0.07 0.00 -1.15 0.00 -1.08 0.00 0.00 179.45 177.30 1q3r h ALA 111 N 2.00 0.19 0.00 3.86 0.00 -0.86 -3.22 119.26 121.23 1q3r h ALA 111 Ca -0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 1q3r h ALA 111 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1q3r h ALA 111 CO 0.00 0.94 -0.13 1.49 0.00 0.00 0.00 179.25 181.55 1q3r h GLU 112 N 0.11 0.00 -0.69 0.00 4.81 -0.84 -0.89 114.58 117.07 1q3r h GLU 112 Ca -0.11 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1q3r h GLU 112 Cb 1.85 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.20 1q3r h GLU 112 CO 0.19 0.13 0.25 0.93 -0.73 0.00 0.00 179.01 179.78 1q3r h GLU 113 N 0.00 1.03 -0.06 1.92 5.08 -1.55 0.53 114.58 121.53 1q3r h GLU 113 Ca -0.00 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 57.97 1q3r h GLU 113 Cb 0.43 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1q3r h GLU 113 CO 0.02 0.86 -0.80 -0.07 -1.00 0.00 0.00 179.01 178.02 1q3r h LEU 114 N 1.01 0.54 -1.15 1.33 3.38 -1.32 -3.02 115.31 116.07 1q3r h LEU 114 Ca 0.23 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1q3r h LEU 114 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1q3r h LEU 114 CO -0.02 1.14 0.17 -0.07 0.09 0.00 0.00 178.44 179.75 1q3r h LEU 115 N 0.29 0.70 -1.32 1.67 3.38 -0.57 -1.20 115.31 118.27 1q3r h LEU 115 Ca -0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1q3r h LEU 115 Cb 1.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1q3r h LEU 115 CO 0.14 0.66 -0.27 0.44 0.09 0.00 0.00 178.44 179.50 1q3r h ASP 116 N 0.75 0.00 0.72 -0.43 3.32 -0.84 -1.42 116.42 118.53 1q3r h ASP 116 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1q3r h ASP 116 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1q3r h ASP 116 CO -0.01 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 1q3r n GLN 117 N -3.64 0.08 -1.86 3.56 6.02 -0.52 -4.86 117.38 116.16 1q3r n GLN 117 Ca -0.01 0.09 -0.01 0.00 -0.01 0.00 0.00 57.00 57.06 1q3r n GLN 117 Cb 0.39 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.15 1q3r n GLN 117 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1q3r n ASN 118 N -1.45 -1.66 -4.65 1.08 5.03 -0.53 -5.00 115.26 108.07 1q3r n ASN 118 Ca 0.07 0.01 -0.43 0.00 0.87 0.00 0.00 54.58 55.09 1q3r n ASN 118 Cb 0.25 -0.81 -0.02 0.00 -1.02 0.00 0.00 39.78 38.18 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 -2.07 4.63 0.16 2.41 1.01 -0.79 -4.95 121.20 121.60 1q3r s ILE 119 Ca 0.00 1.95 -0.34 0.00 0.00 0.00 0.00 60.65 62.26 1q3r s ILE 119 Cb 0.00 -4.34 -0.16 0.00 0.01 0.00 0.00 42.46 37.97 1q3r s ILE 119 CO 0.00 -0.26 1.25 1.57 0.00 0.00 0.00 174.94 177.50 1q3r n HIS 120 N 6.47 1.49 0.32 3.97 -0.00 -1.26 -4.51 115.22 121.71 1q3r n HIS 120 Ca 0.12 0.62 0.18 0.00 -0.00 0.00 0.00 57.72 58.64 1q3r n HIS 120 Cb 0.46 -2.33 0.98 0.00 -0.00 0.00 0.00 29.99 29.10 1q3r n HIS 120 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1q3r h PRO 121 N 3.88 0.00 -0.45 1.57 0.13 -1.92 -0.36 132.00 134.85 1q3r h PRO 121 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1q3r h PRO 121 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1q3r h PRO 121 CO 0.73 0.00 -0.10 1.03 -0.23 0.00 0.00 178.00 179.43 1q3r h SER 122 N 0.00 0.87 -0.18 1.44 0.87 -1.95 -0.54 113.55 114.06 1q3r h SER 122 Ca 0.00 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 1q3r h SER 122 Cb 0.33 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1q3r h SER 122 CO 0.00 1.03 -0.09 0.40 -0.53 0.00 0.00 176.83 177.64 1q3r h ILE 123 N 0.70 1.31 -0.66 2.23 1.08 -1.41 -0.37 117.51 120.39 1q3r h ILE 123 Ca 0.11 -1.15 0.05 0.00 -0.39 0.00 0.00 64.86 63.48 1q3r h ILE 123 Cb 0.65 1.69 -0.05 0.00 -3.07 0.00 0.00 36.82 36.03 1q3r h ILE 123 CO 0.04 0.34 0.39 0.40 -0.69 0.00 0.00 178.15 178.64 1q3r h ILE 124 N 0.06 1.02 -0.46 -0.67 2.04 -1.44 -0.11 117.51 117.95 1q3r h ILE 124 Ca 0.04 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1q3r h ILE 124 Cb 0.57 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1q3r h ILE 124 CO 0.03 0.13 0.13 0.74 0.00 0.00 0.00 178.15 179.18 1q3r h THR 125 N 0.74 1.23 -0.16 -0.27 2.02 -0.96 -0.92 112.91 114.59 1q3r h THR 125 Ca 0.28 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1q3r h THR 125 Cb 0.11 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1q3r h THR 125 CO -0.15 0.28 0.03 0.50 0.37 0.00 0.00 175.52 176.56 1q3r h LYS 126 N 0.61 0.26 -0.69 6.66 3.64 -0.71 -2.56 116.57 123.79 1q3r h LYS 126 Ca 0.15 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1q3r h LYS 126 Cb 0.30 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 1q3r h LYS 126 CO -0.00 0.42 0.35 0.78 -2.27 0.00 0.00 179.45 178.73 1q3r h GLY 127 N 0.06 1.02 1.39 5.01 0.00 -0.89 -1.89 103.07 107.77 1q3r h GLY 127 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1q3r h GLY 127 CO 0.00 0.08 0.18 -0.97 0.00 0.00 0.00 176.54 175.83 1q3r h TYR 128 N 0.61 0.78 -0.29 5.60 0.99 -1.03 -1.64 116.97 121.99 1q3r h TYR 128 Ca 0.33 -0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.90 1q3r h TYR 128 Cb 0.31 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.79 1q3r h TYR 128 CO -0.10 0.63 -0.28 0.00 -0.00 0.00 0.00 178.16 178.40 1q3r h ALA 129 N 1.44 0.96 -0.21 3.88 0.00 -0.95 0.07 119.26 124.45 1q3r h ALA 129 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1q3r h ALA 129 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1q3r h ALA 129 CO -0.01 0.61 0.05 -0.07 0.00 0.00 0.00 179.25 179.82 1q3r h LEU 130 N 0.52 0.33 -0.78 0.00 3.38 -1.00 0.02 115.31 117.78 1q3r h LEU 130 Ca 0.07 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1q3r h LEU 130 Cb 0.76 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1q3r h LEU 130 CO 0.06 0.48 0.51 0.00 0.09 0.00 0.00 178.44 179.58 1q3r h ALA 131 N 0.86 0.99 0.09 1.53 0.00 -1.10 0.54 119.26 122.17 1q3r h ALA 131 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1q3r h ALA 131 Cb 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1q3r h ALA 131 CO 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 179.25 179.57 1q3r h ALA 132 N 1.30 -0.12 -0.63 0.00 0.00 -0.71 0.15 119.26 119.25 1q3r h ALA 132 Ca 0.29 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1q3r h ALA 132 Cb -0.08 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1q3r h ALA 132 CO -0.08 -0.42 0.38 0.93 0.00 0.00 0.00 179.25 180.06 1q3r h GLU 133 N -0.42 0.73 -0.90 0.00 3.07 -0.85 -1.07 114.58 115.15 1q3r h GLU 133 Ca -0.01 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1q3r h GLU 133 Cb 0.35 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 1q3r h GLU 133 CO 0.02 0.49 0.55 -0.22 -1.40 0.00 0.00 179.01 178.45 1q3r h LYS 134 N 0.76 1.21 -0.74 2.33 1.63 -0.78 -2.33 116.57 118.64 1q3r h LYS 134 Ca 0.25 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1q3r h LYS 134 Cb 0.02 -0.26 -0.04 0.00 -0.60 0.00 0.00 32.23 31.36 1q3r h LYS 134 CO -0.10 0.84 0.49 0.00 -3.45 0.00 0.00 179.45 177.23 1q3r h ALA 135 N 1.37 0.94 -0.64 5.00 0.00 0.53 -1.21 119.26 125.25 1q3r h ALA 135 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1q3r h ALA 135 Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1q3r h ALA 135 CO -0.06 0.36 0.36 1.96 0.00 0.00 0.00 179.25 181.87 1q3r h GLN 136 N 1.01 0.89 0.06 0.00 1.08 -0.79 0.05 115.11 117.41 1q3r h GLN 136 Ca 0.27 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1q3r h GLN 136 Cb -0.11 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.14 1q3r h GLN 136 CO -0.06 0.66 -0.03 0.93 -0.95 0.00 0.00 178.83 179.38 1q3r h GLU 137 N 0.87 -0.08 -0.80 1.46 5.08 -1.10 -0.58 114.58 119.44 1q3r h GLU 137 Ca 0.23 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 1q3r h GLU 137 Cb 0.03 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1q3r h GLU 137 CO -0.04 -0.01 0.45 0.82 -1.00 0.00 0.00 179.01 179.24 1q3r h ILE 138 N -0.14 0.91 -0.30 3.13 2.04 -0.93 -0.77 117.51 121.45 1q3r h ILE 138 Ca -0.01 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1q3r h ILE 138 Cb 0.11 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1q3r h ILE 138 CO 0.01 0.14 0.10 -0.07 0.00 0.00 0.00 178.15 178.34 1q3r h LEU 139 N 0.76 0.43 -2.07 1.44 3.38 -0.63 -0.53 115.31 118.10 1q3r h LEU 139 Ca 0.38 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1q3r h LEU 139 Cb 0.34 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1q3r h LEU 139 CO -0.24 0.51 -0.00 0.44 0.09 0.00 0.00 178.44 179.23 1q3r h ASP 140 N 0.33 0.00 0.03 -0.43 3.32 -0.20 -0.94 116.42 118.53 1q3r h ASP 140 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1q3r h ASP 140 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1q3r h ASP 140 CO -0.00 0.00 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.42 1q3r h GLU 141 N 0.00 -0.04 0.00 3.56 4.81 -0.46 -3.32 114.58 119.14 1q3r h GLU 141 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1q3r h GLU 141 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1q3r h GLU 141 CO 0.00 0.47 0.00 -0.84 -0.73 0.00 0.00 179.01 177.91 1q3r h ILE 142 N -0.98 0.00 -2.01 2.32 3.07 -1.08 -3.45 117.51 115.39 1q3r h ILE 142 Ca -0.00 -0.35 -0.63 0.00 1.55 0.00 0.00 64.86 65.43 1q3r h ILE 142 Cb 0.52 1.24 0.06 0.00 -0.27 0.00 0.00 36.82 38.37 1q3r h ILE 142 CO 0.01 0.00 0.65 0.00 -1.05 0.00 0.00 178.15 177.76 1q3r n ALA 143 N -1.97 0.34 -2.59 0.16 0.00 -0.36 -4.92 120.51 111.17 1q3r n ALA 143 Ca 0.01 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1q3r n ALA 143 Cb 0.25 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 1q3r n ALA 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1q3r s ILE 144 N 0.76 4.76 0.20 0.00 1.01 0.15 -4.86 121.20 123.22 1q3r s ILE 144 Ca 0.81 0.96 -0.28 0.00 0.00 0.00 0.00 60.65 62.15 1q3r s ILE 144 Cb -0.80 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 37.41 1q3r s ILE 144 CO 0.42 -0.36 0.86 -0.13 0.00 0.00 0.00 174.94 175.72 1q3r s ARG 145 N 3.02 4.71 0.22 2.79 1.81 -1.26 -0.76 118.95 129.49 1q3r s ARG 145 Ca 0.31 1.32 -0.05 0.00 -1.72 0.00 0.00 55.73 55.59 1q3r s ARG 145 Cb -0.14 -3.27 -0.03 0.00 -0.45 0.00 0.00 34.95 31.06 1q3r s ARG 145 CO 0.15 0.54 0.27 0.54 -0.68 0.00 0.00 175.30 176.12 1q3r s VAL 146 N -1.12 0.00 -0.18 3.52 0.11 0.49 -4.97 120.40 118.25 1q3r s VAL 146 Ca 0.38 -1.77 -0.29 0.00 -2.93 0.00 0.00 61.98 57.37 1q3r s VAL 146 Cb -0.24 -2.40 -0.01 0.00 -1.53 0.00 0.00 36.38 32.20 1q3r s VAL 146 CO 0.29 0.00 1.29 -1.81 -3.33 0.00 0.00 175.10 171.54 1q3r s ASP 147 N -3.11 6.89 0.50 3.54 1.11 -1.26 -4.51 116.67 119.82 1q3r s ASP 147 Ca 0.33 1.65 0.37 0.00 0.18 0.00 0.00 52.55 55.07 1q3r s ASP 147 Cb 0.04 -2.54 1.52 0.00 1.07 0.00 0.00 42.92 43.02 1q3r s ASP 147 CO 0.11 -0.82 1.69 -0.65 1.18 0.00 0.00 175.17 176.68 1q3r h PRO 148 N 8.45 0.07 -0.09 8.23 0.11 -1.86 0.43 132.00 147.34 1q3r h PRO 148 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1q3r h PRO 148 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1q3r h PRO 148 CO 0.98 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 1q3r n ASP 149 N -4.29 3.05 -4.54 -2.05 5.68 -1.26 -4.16 116.55 108.98 1q3r n ASP 149 Ca 0.34 -1.98 -0.37 0.00 -0.50 0.00 0.00 54.79 52.28 1q3r n ASP 149 Cb 1.48 -0.05 -0.06 0.00 -1.14 0.00 0.00 41.12 41.35 1q3r n ASP 149 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1q3r n ASP 150 N 1.35 1.80 -0.18 -1.12 4.64 0.15 -4.79 116.55 118.40 1q3r n ASP 150 Ca 0.15 -0.36 -0.01 0.00 -1.38 0.00 0.00 54.79 53.18 1q3r n ASP 150 Cb 0.59 -1.42 0.09 0.00 -1.04 0.00 0.00 41.12 39.33 1q3r n ASP 150 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 1q3r h GLU 151 N 17.71 0.35 -0.64 -0.67 4.81 -1.91 -0.98 114.58 133.25 1q3r h GLU 151 Ca -0.19 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1q3r h GLU 151 Cb 1.28 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 1q3r h GLU 151 CO 1.22 0.23 -0.55 1.49 -0.73 0.00 0.00 179.01 180.66 1q3r h GLU 152 N 0.36 -0.23 -0.06 1.92 4.22 -1.98 -0.14 114.58 118.67 1q3r h GLU 152 Ca 0.28 0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.58 1q3r h GLU 152 Cb 0.34 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1q3r h GLU 152 CO -0.29 -0.15 -0.65 1.79 -2.18 0.00 0.00 179.01 177.52 1q3r h THR 153 N -0.24 1.40 -0.67 0.32 1.35 -1.90 -3.10 112.91 110.07 1q3r h THR 153 Ca 0.12 -2.08 0.08 0.00 -0.55 0.00 0.00 66.41 63.97 1q3r h THR 153 Cb 0.53 2.07 -0.06 0.00 -1.73 0.00 0.00 68.15 68.96 1q3r h THR 153 CO -0.73 0.61 0.34 0.25 -0.25 0.00 0.00 175.52 175.74 1q3r h LEU 154 N 0.17 0.46 -1.02 3.87 5.85 -0.08 -0.68 115.31 123.89 1q3r h LEU 154 Ca -0.01 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1q3r h LEU 154 Cb 1.18 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1q3r h LEU 154 CO 0.10 0.28 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.04 1q3r h LEU 155 N 0.60 0.23 -0.50 2.25 3.38 -1.05 -2.20 115.31 118.03 1q3r h LEU 155 Ca 0.32 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1q3r h LEU 155 Cb 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1q3r h LEU 155 CO -0.24 0.59 -0.13 0.11 0.09 0.00 0.00 178.44 178.86 1q3r h LYS 156 N 0.19 0.97 0.23 1.13 1.57 -1.17 0.18 116.57 119.67 1q3r h LYS 156 Ca 0.02 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1q3r h LYS 156 Cb 0.75 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1q3r h LYS 156 CO 0.06 1.05 -0.13 0.82 -0.57 0.00 0.00 179.45 180.67 1q3r h ILE 157 N 0.82 0.72 -0.44 1.86 1.08 -0.94 -0.97 117.51 119.64 1q3r h ILE 157 Ca 0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.59 1q3r h ILE 157 Cb 0.69 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 1q3r h ILE 157 CO 0.05 0.00 0.24 0.00 -0.69 0.00 0.00 178.15 177.75 1q3r h ALA 158 N 0.42 0.56 -0.70 1.87 0.00 -1.31 -1.55 119.26 118.55 1q3r h ALA 158 Ca -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1q3r h ALA 158 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1q3r h ALA 158 CO 0.03 0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.64 1q3r h ALA 159 N 1.09 1.15 -0.08 0.00 0.00 -0.85 -1.41 119.26 119.16 1q3r h ALA 159 Ca 0.15 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1q3r h ALA 159 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1q3r h ALA 159 CO -0.02 0.61 -0.63 1.79 0.00 0.00 0.00 179.25 181.00 1q3r h THR 160 N 1.02 1.38 -0.43 0.00 1.35 -1.03 -2.43 112.91 112.77 1q3r h THR 160 Ca 0.24 -2.01 0.01 0.00 -0.55 0.00 0.00 66.41 64.10 1q3r h THR 160 Cb 0.21 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.61 1q3r h THR 160 CO -0.02 0.60 0.26 -1.28 -0.25 0.00 0.00 175.52 174.83 1q3r h SER 161 N 0.22 0.44 -0.21 5.36 0.87 -0.62 -3.09 113.55 116.52 1q3r h SER 161 Ca -0.01 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 1q3r h SER 161 Cb 1.15 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1q3r h SER 161 CO 0.10 0.31 -0.47 0.40 -0.53 0.00 0.00 176.83 176.64 1q3r h ILE 162 N 0.53 1.29 -3.64 2.23 2.04 -1.21 -3.45 117.51 115.30 1q3r h ILE 162 Ca 0.17 -1.66 -0.57 0.00 1.00 0.00 0.00 64.86 63.80 1q3r h ILE 162 Cb -0.01 1.56 0.16 0.00 -0.74 0.00 0.00 36.82 37.79 1q3r h ILE 162 CO -0.07 0.54 0.17 1.07 0.00 0.00 0.00 178.15 179.86 1q3r n THR 163 N -4.02 3.86 -0.55 -0.27 5.66 -0.92 -2.70 114.28 115.34 1q3r n THR 163 Ca -0.03 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1q3r n THR 163 Cb 0.58 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 1q3r n THR 163 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1q3r n GLY 164 N 1.25 0.71 3.34 1.09 0.00 -1.26 -4.75 105.19 105.57 1q3r n GLY 164 Ca 0.14 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 1q3r n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3r s LYS 165 N -0.52 1.39 0.29 1.61 1.02 -1.10 -4.62 119.74 117.81 1q3r s LYS 165 Ca 0.00 -1.72 0.03 0.00 0.02 0.00 0.00 55.97 54.30 1q3r s LYS 165 Cb 0.00 -0.57 0.63 0.00 -0.52 0.00 0.00 37.83 37.38 1q3r s LYS 165 CO 0.00 -0.15 1.82 -0.97 -0.92 0.00 0.00 175.35 175.12 1q3r h ASN 166 N 2.41 0.87 -0.00 2.83 -1.24 -1.93 -1.35 115.58 117.16 1q3r h ASN 166 Ca -0.39 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1q3r h ASN 166 Cb 1.23 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1q3r h ASN 166 CO 0.64 0.41 0.00 0.00 -1.29 0.00 0.00 177.43 177.19 1q3r n ALA 167 N -2.34 2.60 0.30 1.57 0.00 -1.26 -3.99 120.51 117.39 1q3r n ALA 167 Ca 0.21 -0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.69 1q3r n ALA 167 Cb 0.44 -1.28 0.95 0.00 0.00 0.00 0.00 19.45 19.55 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 0.05 0.00 -0.44 0.00 4.11 -1.43 -1.71 114.58 115.15 1q3r h GLU 168 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.56 1q3r h GLU 168 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1q3r h GLU 168 CO 0.00 0.02 0.41 0.77 0.07 0.00 0.00 179.01 180.28 1q3r h SER 169 N 0.00 0.00 -1.04 3.06 0.02 -1.81 -1.68 113.55 112.10 1q3r h SER 169 Ca -0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1q3r h SER 169 Cb 0.06 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.19 1q3r h SER 169 CO 0.00 0.00 -0.94 1.41 -1.14 0.00 0.00 176.83 176.16 1q3r n HIS 170 N -3.93 2.31 0.27 3.45 8.25 -0.64 -4.87 115.22 120.06 1q3r n HIS 170 Ca 0.08 -2.68 0.16 0.00 -0.26 0.00 0.00 57.72 55.02 1q3r n HIS 170 Cb 0.60 -0.24 0.73 0.00 1.12 0.00 0.00 29.99 32.20 1q3r n HIS 170 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1q3r h LYS 171 N 2.61 0.00 0.14 -0.41 2.10 -1.34 -2.36 116.57 117.32 1q3r h LYS 171 Ca 0.14 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.78 1q3r h LYS 171 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1q3r h LYS 171 CO 0.63 0.07 -0.07 1.49 -2.00 0.00 0.00 179.45 179.57 1q3r h GLU 172 N 0.00 -0.19 0.70 0.07 4.81 -1.89 -1.68 114.58 116.40 1q3r h GLU 172 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1q3r h GLU 172 Cb 0.44 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1q3r h GLU 172 CO 0.01 0.26 -0.42 1.25 -0.73 0.00 0.00 179.01 179.38 1q3r h LEU 173 N -0.77 -1.06 -0.80 1.64 5.85 -1.96 -2.16 115.31 116.06 1q3r h LEU 173 Ca -0.02 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.89 1q3r h LEU 173 Cb 0.53 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 41.78 1q3r h LEU 173 CO 0.03 -0.66 0.40 -0.07 -0.34 0.00 0.00 178.44 177.80 1q3r h LEU 174 N -1.05 0.48 -0.66 2.25 3.38 -1.54 -0.86 115.31 117.30 1q3r h LEU 174 Ca -0.09 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1q3r h LEU 174 Cb 0.85 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1q3r h LEU 174 CO 0.10 0.22 0.27 0.00 0.09 0.00 0.00 178.44 179.11 1q3r h ALA 175 N 1.52 0.86 -1.00 1.53 0.00 -1.24 -1.00 119.26 119.94 1q3r h ALA 175 Ca 0.43 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1q3r h ALA 175 Cb 0.57 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1q3r h ALA 175 CO -0.34 0.48 0.66 -0.22 0.00 0.00 0.00 179.25 179.83 1q3r h LYS 176 N 0.94 1.26 -0.23 0.00 3.64 -0.52 0.58 116.57 122.24 1q3r h LYS 176 Ca 0.22 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1q3r h LYS 176 Cb 0.21 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1q3r h LYS 176 CO -0.02 0.84 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.71 1q3r h LEU 177 N 1.30 0.59 0.47 5.20 3.38 -0.81 -1.74 115.31 123.69 1q3r h LEU 177 Ca 0.39 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1q3r h LEU 177 Cb -0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1q3r h LEU 177 CO -0.11 0.93 -0.22 0.00 0.09 0.00 0.00 178.44 179.13 1q3r h ALA 178 N 0.67 -0.62 -0.88 1.53 0.00 -0.75 0.83 119.26 120.03 1q3r h ALA 178 Ca 0.04 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1q3r h ALA 178 Cb 0.76 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1q3r h ALA 178 CO 0.05 -0.81 0.55 0.28 0.00 0.00 0.00 179.25 179.32 1q3r h VAL 179 N -0.70 1.04 0.17 0.00 2.07 -0.96 -1.24 116.25 116.63 1q3r h VAL 179 Ca -0.06 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1q3r h VAL 179 Cb 0.52 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1q3r h VAL 179 CO 0.10 0.18 -0.08 -0.08 0.02 0.00 0.00 177.57 177.72 1q3r h GLU 180 N 1.00 -0.22 0.14 1.57 4.81 -1.12 -1.57 114.58 119.18 1q3r h GLU 180 Ca 0.39 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1q3r h GLU 180 Cb 0.18 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1q3r h GLU 180 CO -0.18 -0.02 -0.15 0.00 -0.73 0.00 0.00 179.01 177.93 1q3r h ALA 181 N 0.42 -0.29 -0.74 2.92 0.00 -0.51 -1.49 119.26 119.57 1q3r h ALA 181 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1q3r h ALA 181 Cb 0.30 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1q3r h ALA 181 CO 0.04 -0.68 0.45 0.28 0.00 0.00 0.00 179.25 179.33 1q3r h VAL 182 N -0.32 1.21 -0.33 0.00 2.07 -1.27 -2.25 116.25 115.35 1q3r h VAL 182 Ca 0.01 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1q3r h VAL 182 Cb 0.31 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1q3r h VAL 182 CO -0.05 0.22 0.18 0.11 0.02 0.00 0.00 177.57 178.05 1q3r h LYS 183 N 1.01 0.36 0.10 1.57 1.57 -1.09 0.01 116.57 120.11 1q3r h LYS 183 Ca 0.27 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1q3r h LYS 183 Cb -0.03 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1q3r h LYS 183 CO -0.05 0.24 -0.05 0.37 -0.57 0.00 0.00 179.45 179.39 1q3r h GLN 184 N 0.37 -0.13 0.00 3.15 5.75 -0.95 -2.90 115.11 120.40 1q3r h GLN 184 Ca 0.13 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1q3r h GLN 184 Cb 0.03 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.61 1q3r h GLN 184 CO -0.08 -0.05 0.00 1.33 -2.65 0.00 0.00 178.83 177.38 1q3r n VAL 185 N -5.13 0.56 -1.85 2.39 0.24 -0.88 -4.81 118.33 108.86 1q3r n VAL 185 Ca -0.08 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 1q3r n VAL 185 Cb 0.10 -0.69 -0.00 0.00 -1.47 0.00 0.00 33.84 31.77 1q3r n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q3r s ALA 186 N -3.12 3.55 -0.12 2.33 0.00 -0.02 -4.69 121.76 119.69 1q3r s ALA 186 Ca 0.10 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.60 1q3r s ALA 186 Cb 0.13 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1q3r s ALA 186 CO 0.54 -1.00 -0.20 -1.21 0.00 0.00 0.00 175.76 173.89 1q3r s GLU 187 N -2.07 3.14 -0.79 0.00 2.02 0.40 -4.97 118.70 116.44 1q3r s GLU 187 Ca 0.52 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 54.59 1q3r s GLU 187 Cb -0.45 -2.44 0.21 0.00 0.10 0.00 0.00 34.13 31.54 1q3r s GLU 187 CO 0.61 0.13 0.70 0.21 0.02 0.00 0.00 175.26 176.93 1q3r s LYS 188 N 0.49 3.36 0.03 1.61 2.20 -1.26 0.55 119.74 126.72 1q3r s LYS 188 Ca -0.13 -2.51 -0.21 0.00 -0.36 0.00 0.00 55.97 52.75 1q3r s LYS 188 Cb -0.17 -4.26 -0.12 0.00 -1.51 0.00 0.00 37.83 31.78 1q3r s LYS 188 CO 0.05 -1.26 1.29 1.57 -0.36 0.00 0.00 175.35 176.64 1q3r h LYS 189 N 7.54 -0.74 -2.33 4.03 2.10 -1.67 -3.42 116.57 122.07 1q3r h LYS 189 Ca 0.08 0.05 -0.50 0.00 -2.00 0.00 0.00 60.65 58.28 1q3r h LYS 189 Cb 1.01 0.17 -0.36 0.00 -0.90 0.00 0.00 32.23 32.15 1q3r h LYS 189 CO 0.75 -0.50 -0.80 0.16 -2.00 0.00 0.00 179.45 177.06 1q3r s ASP 190 N -3.19 2.22 0.00 7.07 3.84 -1.26 -4.86 116.67 120.49 1q3r s ASP 190 Ca -0.11 -2.01 0.00 0.00 -0.00 0.00 0.00 52.55 50.42 1q3r s ASP 190 Cb 0.01 -0.04 0.00 0.00 -1.38 0.00 0.00 42.92 41.51 1q3r s ASP 190 CO 0.34 -0.28 0.00 0.61 -0.00 0.00 0.00 175.17 175.84 1q3r n GLY 191 N 4.04 0.00 3.16 2.12 0.00 -1.26 -4.86 105.19 108.39 1q3r n GLY 191 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1q3r n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3r s LYS 192 N -0.98 2.17 0.00 1.61 -0.14 -1.26 -5.09 119.74 116.05 1q3r s LYS 192 Ca 0.00 -0.70 -0.10 0.00 -1.36 0.00 0.00 55.97 53.81 1q3r s LYS 192 Cb 0.00 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.30 1q3r s LYS 192 CO 0.00 0.23 0.33 0.71 -0.76 0.00 0.00 175.35 175.86 1q3r s TYR 193 N 0.13 3.64 -0.00 3.18 1.51 -1.25 -1.57 117.35 122.99 1q3r s TYR 193 Ca -0.08 0.77 0.01 0.00 -1.01 0.00 0.00 57.07 56.76 1q3r s TYR 193 Cb -0.14 -2.13 -0.00 0.00 -0.11 0.00 0.00 41.96 39.58 1q3r s TYR 193 CO 0.04 0.62 -0.02 0.54 -1.11 0.00 0.00 175.55 175.62 1q3r s VAL 194 N -1.20 0.13 -0.05 0.71 0.11 0.19 -4.28 120.40 116.01 1q3r s VAL 194 Ca 0.25 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1q3r s VAL 194 Cb -0.14 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1q3r s VAL 194 CO 0.14 0.03 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.17 1q3r s VAL 195 N -0.05 0.74 -0.51 2.04 1.01 -1.26 -0.45 120.40 121.92 1q3r s VAL 195 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1q3r s VAL 195 Cb -0.01 -0.72 0.12 0.00 0.00 0.00 0.00 36.38 35.78 1q3r s VAL 195 CO -0.00 0.27 0.43 -0.62 0.00 0.00 0.00 175.10 175.17 1q3r s ASP 196 N 0.79 5.98 0.00 3.32 -1.08 -1.26 -4.92 116.67 119.50 1q3r s ASP 196 Ca -0.13 -1.80 0.00 0.00 -0.52 0.00 0.00 52.55 50.10 1q3r s ASP 196 Cb -0.15 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1q3r s ASP 196 CO 0.01 -0.77 0.77 0.18 0.52 0.00 0.00 175.17 175.88 1q3r n LEU 197 N 5.10 0.00 0.18 -1.34 4.77 -1.26 -0.69 117.00 123.77 1q3r n LEU 197 Ca -0.11 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1q3r n LEU 197 Cb 0.41 -0.30 0.39 0.00 -2.33 0.00 0.00 43.42 41.58 1q3r n LEU 197 CO 0.49 -0.30 0.87 0.44 -1.33 0.00 0.00 177.39 177.57 1q3r h ASP 198 N 0.00 0.00 0.09 -1.43 3.32 -2.01 -2.96 116.42 113.43 1q3r h ASP 198 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q3r h ASP 198 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1q3r h ASP 198 CO 0.00 0.00 -0.02 0.59 -1.72 0.00 0.00 179.24 178.09 1q3r n ASN 199 N -2.70 0.45 -4.16 6.45 3.02 0.14 -4.61 115.26 113.84 1q3r n ASN 199 Ca 0.04 -1.00 -0.35 0.00 -0.03 0.00 0.00 54.58 53.23 1q3r n ASN 199 Cb 0.41 -0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.42 1q3r n ASN 199 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1q3r s ILE 200 N -2.11 3.03 0.15 2.41 1.01 -1.12 0.42 121.20 124.99 1q3r s ILE 200 Ca 0.41 -1.50 -0.14 0.00 0.00 0.00 0.00 60.65 59.42 1q3r s ILE 200 Cb 0.21 -2.80 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 1q3r s ILE 200 CO 0.38 -0.21 0.55 -0.75 0.00 0.00 0.00 174.94 174.91 1q3r s LYS 201 N 1.23 3.97 -0.23 2.79 2.20 0.14 -4.96 119.74 124.88 1q3r s LYS 201 Ca -0.03 0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1q3r s LYS 201 Cb -0.20 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 1q3r s LYS 201 CO -0.02 0.47 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.30 1q3r s PHE 202 N -1.49 3.00 -0.14 4.03 2.99 -1.26 -0.11 117.98 125.01 1q3r s PHE 202 Ca 0.38 -1.47 0.00 0.00 0.00 0.00 0.00 56.93 55.84 1q3r s PHE 202 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 43.02 40.82 1q3r s PHE 202 CO 0.19 -0.71 -0.15 -1.21 -0.00 0.00 0.00 175.22 173.34 1q3r s GLU 203 N 1.34 3.29 0.01 0.44 0.41 -0.63 -4.99 118.70 118.57 1q3r s GLU 203 Ca 0.02 -0.73 0.06 0.00 -0.41 0.00 0.00 54.97 53.91 1q3r s GLU 203 Cb -0.16 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.57 1q3r s GLU 203 CO -0.06 0.14 -0.16 0.15 -0.49 0.00 0.00 175.26 174.84 1q3r s LYS 204 N 0.52 2.25 -0.27 1.61 1.02 -1.26 0.22 119.74 123.84 1q3r s LYS 204 Ca -0.10 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.00 1q3r s LYS 204 Cb -0.16 -2.27 0.15 0.00 -0.52 0.00 0.00 37.83 35.04 1q3r s LYS 204 CO 0.04 0.57 0.49 0.15 -0.92 0.00 0.00 175.35 175.68 1q3r s LYS 205 N -1.16 0.45 0.59 1.68 -0.14 -0.56 -4.95 119.74 115.66 1q3r s LYS 205 Ca 0.14 0.83 -0.20 0.00 -1.36 0.00 0.00 55.97 55.38 1q3r s LYS 205 Cb -0.11 0.10 -0.04 0.00 -1.68 0.00 0.00 37.83 36.10 1q3r s LYS 205 CO 0.04 -0.58 1.18 0.00 -0.76 0.00 0.00 175.35 175.23 1q3r n ALA 206 N 5.40 0.89 0.00 5.17 0.00 -1.26 -3.72 120.51 126.99 1q3r n ALA 206 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1q3r n ALA 206 Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1q3r n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 207 N 1.02 4.25 7.00 0.00 0.00 0.11 -4.51 105.19 113.04 1q3r n GLY 207 Ca 0.13 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.58 0.00 -3.07 1.61 -0.58 -1.26 -2.12 120.64 113.65 1q3r n GLU 208 Ca 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 1q3r n GLU 208 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 1q3r n GLU 208 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q3r n GLY 209 N 0.00 2.62 0.25 0.62 0.00 -1.26 -3.16 105.19 104.27 1q3r n GLY 209 Ca 0.00 -2.25 0.17 0.00 0.00 0.00 0.00 46.02 43.94 1q3r n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q3r h VAL 210 N 0.50 0.00 0.00 1.61 2.07 -1.87 -2.72 116.25 115.84 1q3r h VAL 210 Ca -0.25 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1q3r h VAL 210 Cb 0.95 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1q3r h VAL 210 CO 0.38 0.00 -0.13 -0.33 0.02 0.00 0.00 177.57 177.51 1q3r h GLU 211 N 0.00 0.00 -0.02 1.57 4.39 -1.94 -2.78 114.58 115.80 1q3r h GLU 211 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1q3r h GLU 211 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1q3r h GLU 211 CO 0.00 0.13 0.00 0.39 -1.16 0.00 0.00 179.01 178.37 1q3r n GLU 212 N -3.50 1.23 -1.78 2.33 4.71 -1.03 -4.88 120.64 117.73 1q3r n GLU 212 Ca -0.01 -0.34 -0.37 0.00 -0.01 0.00 0.00 57.16 56.43 1q3r n GLU 212 Cb 0.28 -1.45 0.06 0.00 -1.01 0.00 0.00 31.44 29.33 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 -1.89 4.69 0.24 1.62 0.01 -1.05 -4.75 113.70 112.57 1q3r s SER 213 Ca 0.41 2.56 -0.16 0.00 1.31 0.00 0.00 55.95 60.07 1q3r s SER 213 Cb 0.20 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.82 1q3r s SER 213 CO 0.32 -1.94 0.54 -1.83 0.41 0.00 0.00 173.24 170.74 1q3r s GLU 214 N -3.41 1.56 -0.24 12.44 -1.05 -0.44 -4.97 118.70 122.59 1q3r s GLU 214 Ca 0.81 -1.10 -0.07 0.00 -0.15 0.00 0.00 54.97 54.46 1q3r s GLU 214 Cb -0.35 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 1q3r s GLU 214 CO 0.39 -0.67 0.07 -1.17 0.95 0.00 0.00 175.26 174.83 1q3r s LEU 215 N -2.96 3.55 -0.37 1.83 2.96 -1.26 0.13 118.68 122.55 1q3r s LEU 215 Ca 0.17 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 1q3r s LEU 215 Cb -0.02 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1q3r s LEU 215 CO 0.06 0.01 0.23 -0.69 -1.32 0.00 0.00 176.35 174.63 1q3r s VAL 216 N 1.36 4.84 -1.04 1.68 1.01 0.19 -4.96 120.40 123.47 1q3r s VAL 216 Ca 0.05 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1q3r s VAL 216 Cb -0.15 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1q3r s VAL 216 CO 0.04 -0.18 2.14 0.54 0.00 0.00 0.00 175.10 177.64 1q3r n ARG 217 N 5.05 2.16 0.00 2.72 1.74 -1.26 -2.21 116.66 124.85 1q3r n ARG 217 Ca -0.12 -1.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 1q3r n ARG 217 Cb 0.47 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.04 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 4.15 -0.80 3.13 -0.13 0.00 -1.25 -2.37 105.19 107.92 1q3r n GLY 218 Ca 0.52 -0.25 -0.20 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 1.05 -0.14 1.61 1.01 0.64 -2.79 120.40 117.79 1q3r s VAL 219 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1q3r s VAL 219 Cb 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1q3r s VAL 219 CO 0.00 0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.29 1q3r s VAL 220 N -0.79 2.89 -0.04 2.92 1.01 -1.26 -0.07 120.40 125.05 1q3r s VAL 220 Ca 0.01 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1q3r s VAL 220 Cb -0.07 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1q3r s VAL 220 CO 0.01 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 1q3r s ILE 221 N 0.51 1.42 -1.40 2.22 1.01 0.54 -4.97 121.20 120.54 1q3r s ILE 221 Ca -0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 1q3r s ILE 221 Cb -0.16 -1.22 0.08 0.00 0.01 0.00 0.00 42.46 41.17 1q3r s ILE 221 CO 0.04 0.41 2.09 -0.67 0.00 0.00 0.00 174.94 176.82 1q3r n ASP 222 N 3.08 4.27 -3.50 3.58 2.03 -1.26 -0.18 116.55 124.57 1q3r n ASP 222 Ca -0.18 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.08 1q3r n ASP 222 Cb 0.53 -1.62 -0.05 0.00 -0.72 0.00 0.00 41.12 39.26 1q3r n ASP 222 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1q3r s LYS 223 N 2.53 1.76 0.27 -0.67 -0.14 -1.26 -5.00 119.74 117.24 1q3r s LYS 223 Ca 0.46 -1.65 0.06 0.00 -1.36 0.00 0.00 55.97 53.48 1q3r s LYS 223 Cb 0.12 0.43 -0.06 0.00 -1.68 0.00 0.00 37.83 36.64 1q3r s LYS 223 CO -0.05 -0.72 -0.05 -1.21 -0.76 0.00 0.00 175.35 172.56 1q3r s GLU 224 N -3.38 1.52 -0.13 1.68 2.02 -1.26 -3.31 118.70 115.84 1q3r s GLU 224 Ca 0.30 -1.77 -0.29 0.00 0.02 0.00 0.00 54.97 53.23 1q3r s GLU 224 Cb 0.00 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.12 1q3r s GLU 224 CO 0.17 0.03 1.28 0.08 0.02 0.00 0.00 175.26 176.84 1q3r s VAL 225 N -3.05 4.21 0.29 2.63 1.01 -1.26 -4.66 120.40 119.56 1q3r s VAL 225 Ca 0.29 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.79 1q3r s VAL 225 Cb 0.04 -3.95 0.29 0.00 0.00 0.00 0.00 36.38 32.75 1q3r s VAL 225 CO 0.11 -0.10 1.76 1.62 0.00 0.00 0.00 175.10 178.49 1q3r h VAL 226 N 5.40 0.67 -3.99 2.92 3.04 -1.64 -3.43 116.25 119.22 1q3r h VAL 226 Ca -0.29 -0.23 -0.69 0.00 -1.01 0.00 0.00 66.70 64.48 1q3r h VAL 226 Cb 1.12 -0.06 -0.22 0.00 -2.01 0.00 0.00 31.29 30.12 1q3r h VAL 226 CO 0.95 0.12 -0.78 -2.28 -1.01 0.00 0.00 177.57 174.57 1q3r s HIS 227 N -5.88 2.64 0.20 3.17 2.46 -1.26 -5.05 115.29 111.57 1q3r s HIS 227 Ca -0.11 -0.20 -0.11 0.00 0.47 0.00 0.00 55.06 55.10 1q3r s HIS 227 Cb 0.24 -1.55 0.13 0.00 -0.13 0.00 0.00 32.58 31.28 1q3r s HIS 227 CO 0.79 0.22 1.85 -1.35 -2.47 0.00 0.00 174.74 173.78 1q3r h PRO 228 N 4.90 0.94 0.00 2.88 0.11 -1.99 -2.60 132.00 136.24 1q3r h PRO 228 Ca -0.47 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1q3r h PRO 228 Cb 1.15 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1q3r h PRO 228 CO 0.49 0.66 0.00 -2.13 -0.21 0.00 0.00 178.00 176.81 1q3r n ARG 229 N -4.56 0.92 -3.30 1.05 0.63 -1.26 -4.82 116.66 105.32 1q3r n ARG 229 Ca 0.06 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.67 1q3r n ARG 229 Cb 0.05 -1.09 -0.05 0.00 0.45 0.00 0.00 32.46 31.81 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 -2.00 3.84 0.33 -0.14 -1.94 -0.98 -4.92 119.30 113.50 1q3r s MET 230 Ca 0.08 0.38 -0.29 0.00 -1.71 0.00 0.00 55.69 54.15 1q3r s MET 230 Cb 0.04 -2.57 -0.12 0.00 2.01 0.00 0.00 34.83 34.19 1q3r s MET 230 CO 0.06 0.25 1.43 -2.30 -0.01 0.00 0.00 175.02 174.45 1q3r n PRO 231 N -0.32 2.42 0.00 2.03 -0.02 -1.26 -4.90 135.00 132.95 1q3r n PRO 231 Ca 0.01 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.46 1q3r n PRO 231 Cb 0.53 -2.53 0.06 0.00 -0.02 0.00 0.00 33.50 31.53 1q3r n PRO 231 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1q3r n LYS 232 N 0.99 0.04 -3.71 -0.52 4.76 -1.26 -4.77 118.16 113.69 1q3r n LYS 232 Ca 0.05 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.37 1q3r n LYS 232 Cb 0.37 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 31.93 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 -3.03 0.34 -0.11 1.97 3.52 -1.26 -0.49 118.95 119.89 1q3r s ARG 233 Ca 0.09 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 1q3r s ARG 233 Cb 0.16 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.56 1q3r s ARG 233 CO 0.79 -0.14 -0.10 0.08 -0.81 0.00 0.00 175.30 175.12 1q3r s VAL 234 N 1.16 1.17 0.00 7.11 1.01 0.04 -5.01 120.40 125.87 1q3r s VAL 234 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1q3r s VAL 234 Cb -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.17 1q3r s VAL 234 CO -0.09 0.38 0.00 -0.62 0.00 0.00 0.00 175.10 174.77 1q3r n GLU 235 N 4.60 0.00 -2.04 2.72 -0.58 -1.26 -1.95 120.64 122.13 1q3r n GLU 235 Ca -0.16 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.17 1q3r n GLU 235 Cb 0.50 -0.27 -0.00 0.00 -0.57 0.00 0.00 31.44 31.10 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 7.46 -4.54 1.62 3.02 -1.26 -2.97 115.26 118.59 1q3r n ASN 236 Ca 0.00 -3.11 -0.50 0.00 -0.03 0.00 0.00 54.58 50.94 1q3r n ASN 236 Cb 0.00 -1.39 -0.04 0.00 -0.61 0.00 0.00 39.78 37.73 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 2.25 -1.52 -3.66 5.41 0.00 -1.07 -4.86 120.51 117.04 1q3r n ALA 237 Ca 0.58 0.48 -0.38 0.00 0.00 0.00 0.00 53.44 54.11 1q3r n ALA 237 Cb 0.27 -1.92 -0.10 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.49 2.33 0.13 0.00 1.02 -1.26 -2.94 119.74 118.54 1q3r s LYS 238 Ca 0.74 -1.94 -0.30 0.00 0.02 0.00 0.00 55.97 54.49 1q3r s LYS 238 Cb -0.92 -3.77 -0.06 0.00 -0.52 0.00 0.00 37.83 32.55 1q3r s LYS 238 CO 0.54 -1.15 0.99 0.42 -0.92 0.00 0.00 175.35 175.23 1q3r s ILE 239 N 0.99 4.35 -0.11 2.17 1.09 0.20 -1.67 121.20 128.22 1q3r s ILE 239 Ca 0.09 1.98 0.02 0.00 -1.10 0.00 0.00 60.65 61.64 1q3r s ILE 239 Cb -0.23 -4.26 -0.01 0.00 -1.06 0.00 0.00 42.46 36.89 1q3r s ILE 239 CO -0.03 0.32 -0.18 0.00 -0.10 0.00 0.00 174.94 174.95 1q3r s ALA 240 N -0.11 2.43 -0.36 9.38 0.00 -0.11 0.17 121.76 133.16 1q3r s ALA 240 Ca 0.47 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1q3r s ALA 240 Cb -0.25 -1.01 0.09 0.00 0.00 0.00 0.00 23.12 21.95 1q3r s ALA 240 CO 0.31 0.30 0.12 -0.51 0.00 0.00 0.00 175.76 175.98 1q3r s LEU 241 N 0.23 4.75 -0.06 0.00 1.02 -1.26 -1.26 118.68 122.09 1q3r s LEU 241 Ca -0.12 -1.79 -0.01 0.00 0.02 0.00 0.00 54.13 52.23 1q3r s LEU 241 Cb -0.16 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 1q3r s LEU 241 CO 0.06 -0.43 0.01 -0.63 0.02 0.00 0.00 176.35 175.38 1q3r s ILE 242 N 1.15 4.33 -0.26 -0.59 -1.09 -0.82 -1.11 121.20 122.81 1q3r s ILE 242 Ca 0.04 -0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 57.96 1q3r s ILE 242 Cb -0.21 -2.86 -0.14 0.00 -1.58 0.00 0.00 42.46 37.67 1q3r s ILE 242 CO -0.04 0.53 -0.19 -3.20 -1.23 0.00 0.00 174.94 170.82 1q3r n ASN 243 N 1.88 1.93 -4.75 3.58 2.85 -0.06 -1.74 115.26 118.95 1q3r n ASN 243 Ca -0.17 0.37 -0.36 0.00 -0.11 0.00 0.00 54.58 54.31 1q3r n ASN 243 Cb 0.53 -0.86 0.04 0.00 1.24 0.00 0.00 39.78 40.72 1q3r n ASN 243 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1q3r s GLU 244 N -2.47 2.95 0.46 1.20 -1.05 -0.57 -3.18 118.70 116.03 1q3r s GLU 244 Ca -0.36 1.80 -0.22 0.00 -0.15 0.00 0.00 54.97 56.05 1q3r s GLU 244 Cb 0.12 -1.93 -0.08 0.00 -0.44 0.00 0.00 34.13 31.80 1q3r s GLU 244 CO 0.52 -1.22 1.08 0.00 0.95 0.00 0.00 175.26 176.59 1q3r s ALA 245 N -1.64 2.93 -1.24 -0.84 0.00 -1.26 -4.62 121.76 115.10 1q3r s ALA 245 Ca 0.77 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 1q3r s ALA 245 Cb -0.30 -3.30 0.16 0.00 0.00 0.00 0.00 23.12 19.69 1q3r s ALA 245 CO 0.34 -0.41 1.59 1.28 0.00 0.00 0.00 175.76 178.55 1q3r n LEU 246 N -0.64 5.63 -4.14 0.00 4.32 -0.34 -4.91 117.00 116.92 1q3r n LEU 246 Ca 0.08 -4.48 -0.11 0.00 -0.02 0.00 0.00 56.01 51.48 1q3r n LEU 246 Cb 0.50 -1.59 -0.09 0.00 -1.62 0.00 0.00 43.42 40.63 1q3r n LEU 246 CO 0.43 0.89 -0.12 -1.61 -1.22 0.00 0.00 177.39 175.76 1q3r s GLU 247 N 1.39 1.31 -0.13 3.23 2.02 -1.26 -1.28 118.70 123.97 1q3r s GLU 247 Ca 0.43 -1.52 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 1q3r s GLU 247 Cb 0.01 0.33 -0.06 0.00 0.10 0.00 0.00 34.13 34.52 1q3r s GLU 247 CO 0.01 -0.47 1.91 0.08 0.02 0.00 0.00 175.26 176.81 1q3r s VAL 248 N -4.11 3.27 0.86 2.63 1.01 -1.26 -4.93 120.40 117.87 1q3r s VAL 248 Ca 0.34 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1q3r s VAL 248 Cb 0.05 -3.27 0.11 0.00 0.00 0.00 0.00 36.38 33.27 1q3r s VAL 248 CO 0.11 -0.10 1.09 -0.54 0.00 0.00 0.00 175.10 175.66 1q3r s LYS 249 N 5.05 1.56 0.02 2.72 1.02 -1.26 -5.08 119.74 123.77 1q3r s LYS 249 Ca 0.85 0.76 -0.03 0.00 0.02 0.00 0.00 55.97 57.58 1q3r s LYS 249 Cb -0.33 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 1q3r s LYS 249 CO 0.35 -2.02 0.04 0.15 -0.92 0.00 0.00 175.35 172.95 1q3r s LYS 250 N -5.01 0.43 0.59 1.68 1.02 -1.26 -5.15 119.74 112.04 1q3r s LYS 250 Ca 0.62 -0.62 -0.15 0.00 0.02 0.00 0.00 55.97 55.85 1q3r s LYS 250 Cb -0.17 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1q3r s LYS 250 CO 0.56 -0.09 1.03 0.95 -0.92 0.00 0.00 175.35 176.88 1q3r s THR 251 N -1.81 4.20 0.21 2.17 -4.23 -1.26 -4.95 115.64 109.97 1q3r s THR 251 Ca -0.12 0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 61.30 1q3r s THR 251 Cb -0.06 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1q3r s THR 251 CO -0.01 -0.71 1.59 -0.08 -0.54 0.00 0.00 174.62 174.86 1q3r h GLU 252 N 0.31 0.68 -6.57 3.99 4.57 -2.04 -3.42 114.58 112.10 1q3r h GLU 252 Ca -0.46 -0.32 -0.53 0.00 -1.18 0.00 0.00 59.36 56.87 1q3r h GLU 252 Cb 1.20 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1q3r h GLU 252 CO 0.59 0.92 0.53 0.99 -1.18 0.00 0.00 179.01 180.86 1q3r s THR 253 N -4.37 3.92 0.29 0.32 2.01 -1.26 -4.96 115.64 111.60 1q3r s THR 253 Ca -0.08 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.13 1q3r s THR 253 Cb 0.12 -3.96 -0.13 0.00 0.01 0.00 0.00 72.50 68.54 1q3r s THR 253 CO 0.83 0.18 1.16 0.47 -0.69 0.00 0.00 174.62 176.58 1q3r n ASP 254 N 3.18 1.97 -3.70 3.53 10.43 -1.26 -4.99 116.55 125.71 1q3r n ASP 254 Ca 0.06 1.18 -0.14 0.00 2.57 0.00 0.00 54.79 58.46 1q3r n ASP 254 Cb 0.46 -1.37 -0.08 0.00 1.84 0.00 0.00 41.12 41.98 1q3r n ASP 254 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1q3r s ALA 255 N -0.89 -1.00 -0.05 2.24 0.00 -1.26 -5.09 121.76 115.70 1q3r s ALA 255 Ca 0.60 0.51 -0.08 0.00 0.00 0.00 0.00 51.96 52.98 1q3r s ALA 255 Cb -0.66 0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1q3r s ALA 255 CO 0.59 -0.31 0.21 0.21 0.00 0.00 0.00 175.76 176.47 1q3r s LYS 256 N -1.46 0.36 -0.16 0.00 2.20 -1.26 -5.08 119.74 114.35 1q3r s LYS 256 Ca -0.12 0.08 -0.23 0.00 -0.36 0.00 0.00 55.97 55.34 1q3r s LYS 256 Cb -0.04 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1q3r s LYS 256 CO 0.05 -0.07 0.74 0.42 -0.36 0.00 0.00 175.35 176.13 1q3r s ILE 257 N -0.41 4.95 -0.59 5.43 1.01 -1.26 -5.01 121.20 125.32 1q3r s ILE 257 Ca -0.05 1.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.91 1q3r s ILE 257 Cb -0.03 -4.06 0.15 0.00 0.01 0.00 0.00 42.46 38.53 1q3r s ILE 257 CO 0.01 0.09 0.53 0.20 0.00 0.00 0.00 174.94 175.77 1q3r s ASN 258 N 1.11 6.18 0.22 3.58 0.01 -1.26 -5.06 114.94 119.72 1q3r s ASN 258 Ca 0.35 -2.06 -0.30 0.00 -0.71 0.00 0.00 52.86 50.14 1q3r s ASN 258 Cb -0.16 -2.16 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 1q3r s ASN 258 CO 0.13 -0.74 0.95 -0.63 -1.51 0.00 0.00 177.10 175.29 1q3r s ILE 259 N 1.17 4.12 0.00 0.60 1.01 -1.26 -4.95 121.20 121.89 1q3r s ILE 259 Ca 0.07 2.06 0.00 0.00 0.00 0.00 0.00 60.65 62.79 1q3r s ILE 259 Cb -0.25 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1q3r s ILE 259 CO -0.01 0.47 0.00 0.35 0.00 0.00 0.00 174.94 175.75 1q3r n THR 260 N 1.69 0.00 -3.84 2.92 -2.24 -1.26 -5.08 114.28 106.46 1q3r n THR 260 Ca -0.01 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1q3r n THR 260 Cb 0.47 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 1q3r n THR 260 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1q3r s SER 261 N -0.42 -0.06 0.38 3.42 1.04 -1.26 -5.05 113.70 111.75 1q3r s SER 261 Ca 0.00 -0.00 0.10 0.00 0.48 0.00 0.00 55.95 56.53 1q3r s SER 261 Cb 0.00 0.27 0.87 0.00 0.10 0.00 0.00 66.02 67.26 1q3r s SER 261 CO 0.00 -0.29 1.90 -0.65 0.98 0.00 0.00 173.24 175.18 1q3r h PRO 262 N 4.71 0.61 -0.01 4.02 0.11 -2.03 -1.54 132.00 137.87 1q3r h PRO 262 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1q3r h PRO 262 Cb 1.19 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1q3r h PRO 262 CO 0.40 0.40 0.15 0.38 -0.21 0.00 0.00 178.00 179.12 1q3r h ASP 263 N 0.62 0.00 0.73 -2.05 -0.00 -2.02 -2.00 116.42 111.70 1q3r h ASP 263 Ca 0.40 0.00 -0.26 0.00 -0.00 0.00 0.00 57.03 57.18 1q3r h ASP 263 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.99 1q3r h ASP 263 CO -0.16 0.00 -1.24 1.56 -0.00 0.00 0.00 179.24 179.40 1q3r h GLN 264 N 0.00 0.14 -0.81 4.15 4.20 -1.71 -2.69 115.11 118.39 1q3r h GLN 264 Ca 0.00 -0.24 0.22 0.00 0.06 0.00 0.00 58.65 58.69 1q3r h GLN 264 Cb 0.30 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1q3r h GLN 264 CO -0.00 1.05 0.57 -0.07 -0.67 0.00 0.00 178.83 179.71 1q3r h LEU 265 N 0.04 0.12 0.08 1.46 3.38 -1.48 -1.33 115.31 117.58 1q3r h LEU 265 Ca -0.12 0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.50 1q3r h LEU 265 Cb 1.90 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 1q3r h LEU 265 CO 0.16 0.05 -2.11 0.23 0.09 0.00 0.00 178.44 176.85 1q3r n MET 266 N -4.37 0.72 -0.28 1.13 2.81 -1.23 -3.73 117.12 112.17 1q3r n MET 266 Ca 0.17 0.24 -0.04 0.00 -1.81 0.00 0.00 57.70 56.27 1q3r n MET 266 Cb 0.80 -1.65 0.12 0.00 -0.71 0.00 0.00 33.22 31.77 1q3r n MET 266 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1q3r h SER 267 N -0.02 1.05 1.21 7.83 4.64 -1.09 0.11 113.55 127.28 1q3r h SER 267 Ca -0.47 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 60.70 1q3r h SER 267 Cb 1.95 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 1q3r h SER 267 CO 0.01 0.87 -0.18 -0.26 -0.87 0.00 0.00 176.83 176.40 1q3r h PHE 268 N 1.15 0.00 0.03 4.77 -1.00 -1.46 -0.95 116.94 119.48 1q3r h PHE 268 Ca 0.28 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.96 1q3r h PHE 268 Cb 0.09 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.66 1q3r h PHE 268 CO 0.01 0.18 -0.42 1.25 -1.61 0.00 0.00 178.31 177.73 1q3r h LEU 269 N 0.00 0.32 -1.60 1.54 5.85 -1.41 -2.96 115.31 117.05 1q3r h LEU 269 Ca -0.00 -0.83 -0.04 0.00 0.84 0.00 0.00 57.88 57.85 1q3r h LEU 269 Cb 0.83 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1q3r h LEU 269 CO 0.02 1.12 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.73 1q3r h GLU 270 N -0.44 0.00 -0.17 1.25 5.08 -0.70 -2.34 114.58 117.25 1q3r h GLU 270 Ca -0.06 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 1q3r h GLU 270 Cb 1.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.46 1q3r h GLU 270 CO 0.08 0.18 -0.71 0.37 -1.00 0.00 0.00 179.01 177.93 1q3r h GLN 271 N 0.00 0.75 0.00 2.33 5.75 -1.19 -1.03 115.11 121.73 1q3r h GLN 271 Ca -0.00 -0.57 -0.11 0.00 -0.15 0.00 0.00 58.65 57.82 1q3r h GLN 271 Cb 0.50 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1q3r h GLN 271 CO 0.02 1.19 -0.52 0.93 -2.65 0.00 0.00 178.83 177.81 1q3r h GLU 272 N 0.53 0.00 0.14 1.69 5.08 -1.29 -1.34 114.58 119.38 1q3r h GLU 272 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1q3r h GLU 272 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1q3r h GLU 272 CO 0.14 0.52 -0.07 0.93 -1.00 0.00 0.00 179.01 179.53 1q3r h GLU 273 N 0.00 -0.18 -0.95 2.33 5.08 -1.24 -2.72 114.58 116.89 1q3r h GLU 273 Ca -0.01 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1q3r h GLU 273 Cb 0.91 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 1q3r h GLU 273 CO 0.07 0.16 0.56 -0.22 -1.00 0.00 0.00 179.01 178.57 1q3r h LYS 274 N -0.53 0.76 -0.94 2.33 3.64 -0.97 0.86 116.57 121.71 1q3r h LYS 274 Ca -0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1q3r h LYS 274 Cb 0.42 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1q3r h LYS 274 CO 0.03 0.50 0.56 0.52 -2.27 0.00 0.00 179.45 178.80 1q3r h MET 275 N 0.78 1.28 -0.14 1.90 2.86 -1.14 0.74 114.93 121.22 1q3r h MET 275 Ca 0.52 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.97 1q3r h MET 275 Cb 0.70 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1q3r h MET 275 CO -0.34 0.90 -0.16 -0.07 1.06 0.00 0.00 176.91 178.29 1q3r h LEU 276 N 1.30 0.38 -0.45 1.22 4.07 -0.75 -2.84 115.31 118.25 1q3r h LEU 276 Ca 0.34 -0.50 0.03 0.00 0.08 0.00 0.00 57.88 57.83 1q3r h LEU 276 Cb -0.05 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 1q3r h LEU 276 CO -0.06 0.81 0.24 0.50 -1.08 0.00 0.00 178.44 178.85 1q3r h LYS 277 N -0.03 0.47 -0.69 1.13 3.64 -0.58 -2.52 116.57 118.00 1q3r h LYS 277 Ca 0.02 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1q3r h LYS 277 Cb 0.71 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1q3r h LYS 277 CO 0.04 0.31 0.41 -0.44 -2.27 0.00 0.00 179.45 177.50 1q3r h ASP 278 N 0.49 0.64 0.45 4.20 3.32 -0.87 0.52 116.42 125.16 1q3r h ASP 278 Ca 0.19 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1q3r h ASP 278 Cb 0.06 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1q3r h ASP 278 CO -0.11 0.42 -0.41 0.24 -1.72 0.00 0.00 179.24 177.66 1q3r h MET 279 N 0.77 -0.82 -0.36 3.56 2.86 -1.22 0.45 114.93 120.17 1q3r h MET 279 Ca 0.30 0.06 0.06 0.00 -2.06 0.00 0.00 59.70 58.05 1q3r h MET 279 Cb 0.12 0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 1q3r h MET 279 CO -0.15 -0.55 0.01 0.28 1.06 0.00 0.00 176.91 177.56 1q3r h VAL 280 N -0.86 0.75 -0.49 -2.22 2.07 -1.22 -1.18 116.25 113.11 1q3r h VAL 280 Ca -0.06 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1q3r h VAL 280 Cb 0.73 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1q3r h VAL 280 CO -0.03 0.02 -0.01 0.44 0.02 0.00 0.00 177.57 178.02 1q3r h ASP 281 N 0.11 -0.22 -0.03 0.57 5.19 0.30 -0.29 116.42 122.05 1q3r h ASP 281 Ca 0.17 0.12 0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1q3r h ASP 281 Cb 0.23 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 1q3r h ASP 281 CO -0.28 -0.07 -0.15 -0.74 -3.12 0.00 0.00 179.24 174.87 1q3r h HIS 282 N 0.11 -0.39 -0.12 4.55 2.76 0.10 -0.77 115.15 121.39 1q3r h HIS 282 Ca 0.24 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.48 1q3r h HIS 282 Cb 0.37 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 1q3r h HIS 282 CO -0.31 -0.22 -0.29 0.82 -1.30 0.00 0.00 177.93 176.63 1q3r h ILE 283 N -0.24 0.34 -0.87 6.26 2.04 -0.59 -0.74 117.51 123.71 1q3r h ILE 283 Ca 0.06 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.13 1q3r h ILE 283 Cb 0.31 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 36.61 1q3r h ILE 283 CO -0.17 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.35 1q3r h ALA 284 N 0.50 1.36 -0.03 1.87 0.00 -0.62 0.66 119.26 123.00 1q3r h ALA 284 Ca 0.10 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1q3r h ALA 284 Cb 0.51 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1q3r h ALA 284 CO -0.33 -0.33 0.02 1.96 0.00 0.00 0.00 179.25 180.57 1q3r h GLN 285 N 0.39 0.00 0.00 0.00 4.20 0.36 -1.41 115.11 118.64 1q3r h GLN 285 Ca 0.54 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.20 1q3r h GLN 285 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1q3r h GLN 285 CO -0.52 0.00 -0.23 1.79 -0.67 0.00 0.00 178.83 179.20 1q3r h THR 286 N 0.00 0.72 0.00 -0.54 1.35 -0.63 -3.46 112.91 110.35 1q3r h THR 286 Ca 0.01 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1q3r h THR 286 Cb 0.06 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1q3r h THR 286 CO -0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1q3r n GLY 287 N -0.28 0.59 3.77 5.82 0.00 -0.53 -4.60 105.19 109.95 1q3r n GLY 287 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.59 0.00 4.61 0.00 -1.26 -4.80 121.76 121.91 1q3r s ALA 288 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1q3r s ALA 288 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1q3r s ALA 288 CO 0.00 -0.93 0.64 0.27 0.00 0.00 0.00 175.76 175.74 1q3r n ASN 289 N 1.02 1.22 -3.78 0.00 0.23 -0.67 -4.73 115.26 108.54 1q3r n ASN 289 Ca 0.03 -1.37 -0.13 0.00 -0.53 0.00 0.00 54.58 52.58 1q3r n ASN 289 Cb 0.39 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.37 -0.02 -0.07 3.53 1.01 -1.17 -1.29 120.40 122.03 1q3r s VAL 290 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1q3r s VAL 290 Cb 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.13 1q3r s VAL 290 CO 0.00 0.03 0.12 -0.69 0.00 0.00 0.00 175.10 174.56 1q3r s VAL 291 N 0.55 -0.20 -0.30 2.92 1.01 0.70 -0.93 120.40 124.15 1q3r s VAL 291 Ca -0.04 0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 1q3r s VAL 291 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1q3r s VAL 291 CO -0.03 0.16 0.17 -0.36 0.00 0.00 0.00 175.10 175.04 1q3r s PHE 292 N 2.22 3.18 -0.18 5.22 0.40 -0.39 -0.88 117.98 127.55 1q3r s PHE 292 Ca 0.03 -0.29 -0.06 0.00 -0.60 0.00 0.00 56.93 56.01 1q3r s PHE 292 Cb -0.12 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1q3r s PHE 292 CO -0.05 -0.34 0.04 0.08 0.70 0.00 0.00 175.22 175.65 1q3r s VAL 293 N 1.67 4.47 0.27 -0.44 1.01 0.51 -1.94 120.40 125.95 1q3r s VAL 293 Ca 0.06 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1q3r s VAL 293 Cb -0.17 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1q3r s VAL 293 CO 0.08 0.45 1.62 -0.61 0.00 0.00 0.00 175.10 176.64 1q3r h GLN 294 N 6.92 0.18 0.00 2.72 4.15 -1.47 -1.22 115.11 126.38 1q3r h GLN 294 Ca -0.35 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1q3r h GLN 294 Cb 1.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1q3r h GLN 294 CO 0.66 0.68 0.00 1.63 -1.93 0.00 0.00 178.83 179.87 1q3r n LYS 295 N -3.91 3.57 -1.93 1.69 4.76 -1.19 -3.18 118.16 117.96 1q3r n LYS 295 Ca -0.02 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 1q3r n LYS 295 Cb 0.57 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.89 1q3r n LYS 295 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1q3r s GLY 296 N -0.43 1.68 -0.16 0.72 0.00 -1.26 -0.21 107.32 107.66 1q3r s GLY 296 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 43.76 1q3r s GLY 296 CO 0.00 -0.31 0.09 -0.42 0.00 0.00 0.00 173.10 172.47 1q3r s ILE 297 N -3.70 -0.10 0.49 0.90 1.01 -1.26 -1.20 121.20 117.34 1q3r s ILE 297 Ca 0.67 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 61.01 1q3r s ILE 297 Cb -0.08 -0.53 -0.08 0.00 0.01 0.00 0.00 42.46 41.78 1q3r s ILE 297 CO 0.51 -0.23 1.10 -0.67 0.00 0.00 0.00 174.94 175.65 1q3r n ASP 298 N 5.28 1.57 -0.19 3.58 2.03 -0.41 -4.75 116.55 123.66 1q3r n ASP 298 Ca -0.06 0.97 0.07 0.00 0.52 0.00 0.00 54.79 56.28 1q3r n ASP 298 Cb 0.49 -1.42 0.35 0.00 -0.72 0.00 0.00 41.12 39.82 1q3r n ASP 298 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1q3r h ASP 299 N 1.32 0.67 -0.55 1.67 3.32 -2.00 -0.66 116.42 120.20 1q3r h ASP 299 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1q3r h ASP 299 Cb 1.33 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1q3r h ASP 299 CO 0.56 0.43 -0.11 0.25 -1.72 0.00 0.00 179.24 178.65 1q3r h LEU 300 N 0.76 1.05 -0.51 1.55 5.85 -1.95 -1.99 115.31 120.07 1q3r h LEU 300 Ca 0.32 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1q3r h LEU 300 Cb 0.27 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1q3r h LEU 300 CO -0.11 1.16 0.21 0.00 -0.34 0.00 0.00 178.44 179.36 1q3r h ALA 301 N 0.93 0.66 -0.44 1.25 0.00 -1.63 -2.24 119.26 117.80 1q3r h ALA 301 Ca 0.14 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1q3r h ALA 301 Cb 0.69 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1q3r h ALA 301 CO 0.05 0.27 0.14 1.96 0.00 0.00 0.00 179.25 181.67 1q3r h GLN 302 N 0.69 0.29 -0.85 0.00 4.20 -0.98 0.19 115.11 118.65 1q3r h GLN 302 Ca 0.17 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.97 1q3r h GLN 302 Cb 0.19 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 1q3r h GLN 302 CO -0.01 0.19 0.48 1.25 -0.67 0.00 0.00 178.83 180.07 1q3r h HIS 303 N 0.30 0.87 -0.12 2.96 2.76 -0.98 0.29 115.15 121.24 1q3r h HIS 303 Ca 0.21 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 1q3r h HIS 303 Cb 0.22 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1q3r h HIS 303 CO -0.17 0.33 -0.21 1.88 -1.30 0.00 0.00 177.93 178.47 1q3r h TYR 304 N 0.79 0.44 -0.74 5.26 0.05 -0.71 -1.37 116.97 120.68 1q3r h TYR 304 Ca 0.42 -0.15 0.12 0.00 0.05 0.00 0.00 58.73 59.16 1q3r h TYR 304 Cb 0.42 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 38.00 1q3r h TYR 304 CO -0.06 0.82 0.34 -0.07 -1.05 0.00 0.00 178.16 178.14 1q3r h LEU 305 N -0.08 0.39 0.26 3.88 -0.00 -0.49 -0.01 115.31 119.27 1q3r h LEU 305 Ca 0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1q3r h LEU 305 Cb 0.79 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 1q3r h LEU 305 CO 0.05 0.19 -0.21 0.00 -0.00 0.00 0.00 178.44 178.47 1q3r h ALA 306 N 1.49 -0.47 -0.58 1.53 0.00 -0.84 0.20 119.26 120.58 1q3r h ALA 306 Ca 0.38 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1q3r h ALA 306 Cb 0.50 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1q3r h ALA 306 CO -0.33 -0.79 0.08 0.87 0.00 0.00 0.00 179.25 179.08 1q3r h LYS 307 N -0.49 0.20 0.00 0.00 1.79 -0.25 0.76 116.57 118.58 1q3r h LYS 307 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1q3r h LYS 307 Cb 0.43 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1q3r h LYS 307 CO -0.02 0.13 0.00 0.66 -1.08 0.00 0.00 179.45 179.14 1q3r n TYR 308 N -5.18 0.00 -1.68 -1.35 4.02 -0.11 -4.84 117.16 108.03 1q3r n TYR 308 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.87 1q3r n TYR 308 Cb 0.32 -0.20 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 1q3r n TYR 308 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q3r n GLY 309 N -0.14 0.63 3.71 2.72 0.00 0.27 -5.00 105.19 107.38 1q3r n GLY 309 Ca 0.08 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.42 5.22 -0.16 -0.61 1.01 0.58 -4.68 121.20 120.14 1q3r s ILE 310 Ca 0.00 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.21 1q3r s ILE 310 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1q3r s ILE 310 CO 0.00 0.33 0.80 -0.32 0.00 0.00 0.00 174.94 175.75 1q3r s MET 311 N 0.71 4.31 0.07 2.79 -2.45 -0.41 -4.25 119.30 120.07 1q3r s MET 311 Ca 0.22 0.97 0.05 0.00 -1.25 0.00 0.00 55.69 55.69 1q3r s MET 311 Cb -0.14 -3.56 -0.03 0.00 1.25 0.00 0.00 34.83 32.35 1q3r s MET 311 CO 0.08 -0.27 -0.15 0.00 1.05 0.00 0.00 175.02 175.73 1q3r s ALA 312 N 1.96 1.26 -0.05 4.11 0.00 -1.26 -0.21 121.76 127.57 1q3r s ALA 312 Ca 0.38 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1q3r s ALA 312 Cb -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1q3r s ALA 312 CO 0.13 0.21 -0.15 0.08 0.00 0.00 0.00 175.76 176.03 1q3r s VAL 313 N -1.15 1.26 0.33 0.00 1.01 -0.05 -1.46 120.40 120.34 1q3r s VAL 313 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1q3r s VAL 313 Cb -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1q3r s VAL 313 CO 0.02 0.37 0.15 0.00 0.00 0.00 0.00 175.10 175.64 1q3r s ARG 314 N 0.24 2.41 -1.49 2.72 1.04 -1.26 -0.36 118.95 122.24 1q3r s ARG 314 Ca -0.07 -1.51 -0.06 0.00 -1.04 0.00 0.00 55.73 53.05 1q3r s ARG 314 Cb -0.12 -2.21 0.02 0.00 -2.04 0.00 0.00 34.95 30.60 1q3r s ARG 314 CO 0.02 0.13 0.65 0.54 -0.04 0.00 0.00 175.30 176.61 1q3r n ARG 315 N -1.15 -4.90 -2.37 3.89 3.00 0.71 -4.92 116.66 110.92 1q3r n ARG 315 Ca -0.03 0.81 -0.41 0.00 -0.01 0.00 0.00 57.85 58.20 1q3r n ARG 315 Cb 0.61 -5.66 -0.03 0.00 0.00 0.00 0.00 32.46 27.37 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 -3.15 3.58 0.28 1.55 1.01 -0.52 -4.93 120.40 118.23 1q3r s VAL 316 Ca 0.36 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1q3r s VAL 316 Cb -0.17 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.26 1q3r s VAL 316 CO 0.45 0.20 1.63 -0.75 0.00 0.00 0.00 175.10 176.63 1q3r s LYS 317 N -0.10 4.11 0.20 2.72 2.20 -1.26 -4.40 119.74 123.21 1q3r s LYS 317 Ca 0.54 2.60 -0.19 0.00 -0.36 0.00 0.00 55.97 58.56 1q3r s LYS 317 Cb -0.33 -3.03 0.17 0.00 -1.51 0.00 0.00 37.83 33.14 1q3r s LYS 317 CO 0.36 -0.68 1.58 -0.22 -0.36 0.00 0.00 175.35 176.04 1q3r h LYS 318 N 5.29 -0.11 0.00 4.03 3.64 -1.92 0.20 116.57 127.70 1q3r h LYS 318 Ca -0.46 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1q3r h LYS 318 Cb 1.22 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1q3r h LYS 318 CO 0.83 -0.07 -0.01 0.66 -2.27 0.00 0.00 179.45 178.59 1q3r h SER 319 N -0.11 0.00 0.50 4.20 4.64 -2.00 -0.98 113.55 119.79 1q3r h SER 319 Ca 0.27 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.38 1q3r h SER 319 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1q3r h SER 319 CO -0.74 0.01 -0.92 0.44 -0.87 0.00 0.00 176.83 174.75 1q3r h ASP 320 N 0.00 0.36 -0.82 4.97 3.45 -1.00 -2.54 116.42 120.84 1q3r h ASP 320 Ca -0.00 -0.30 -0.00 0.00 0.43 0.00 0.00 57.03 57.16 1q3r h ASP 320 Cb 0.01 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.63 1q3r h ASP 320 CO 0.00 1.11 0.50 0.24 -1.57 0.00 0.00 179.24 179.52 1q3r h MET 321 N 0.15 1.12 -0.35 3.56 2.86 -0.32 0.13 114.93 122.08 1q3r h MET 321 Ca -0.06 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.34 1q3r h MET 321 Cb 1.56 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 1q3r h MET 321 CO 0.15 0.79 -0.33 0.93 1.06 0.00 0.00 176.91 179.51 1q3r h GLU 322 N 1.13 0.77 -0.47 1.72 5.08 -1.44 -1.38 114.58 120.00 1q3r h GLU 322 Ca 0.30 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1q3r h GLU 322 Cb -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1q3r h GLU 322 CO -0.06 0.99 -0.19 0.87 -1.00 0.00 0.00 179.01 179.62 1q3r h LYS 323 N 0.65 0.94 -0.84 2.33 1.57 -1.01 -0.41 116.57 119.80 1q3r h LYS 323 Ca 0.07 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1q3r h LYS 323 Cb 0.86 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 1q3r h LYS 323 CO 0.08 1.04 0.45 -0.07 -0.57 0.00 0.00 179.45 180.38 1q3r h LEU 324 N 0.82 1.06 0.52 2.94 3.38 -0.53 0.14 115.31 123.63 1q3r h LEU 324 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1q3r h LEU 324 Cb 0.75 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1q3r h LEU 324 CO 0.06 0.86 -0.25 0.00 0.09 0.00 0.00 178.44 179.20 1q3r h ALA 325 N 1.24 -0.69 -0.93 1.53 0.00 -0.99 0.19 119.26 119.61 1q3r h ALA 325 Ca 0.29 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1q3r h ALA 325 Cb 0.05 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1q3r h ALA 325 CO -0.04 -0.74 0.60 -0.22 0.00 0.00 0.00 179.25 178.84 1q3r h LYS 326 N -0.99 0.67 0.11 0.00 1.63 -0.93 0.13 116.57 117.18 1q3r h LYS 326 Ca -0.07 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1q3r h LYS 326 Cb 0.61 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1q3r h LYS 326 CO 0.12 0.44 -0.05 0.00 -3.45 0.00 0.00 179.45 176.51 1q3r h ALA 327 N 1.60 -0.15 0.00 5.00 0.00 -0.64 -2.09 119.26 122.99 1q3r h ALA 327 Ca 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1q3r h ALA 327 Cb 0.82 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1q3r h ALA 327 CO -0.25 -0.14 -0.16 1.79 0.00 0.00 0.00 179.25 180.49 1q3r h THR 328 N -1.03 0.39 0.00 0.00 1.35 -0.89 -3.35 112.91 109.38 1q3r h THR 328 Ca -0.02 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1q3r h THR 328 Cb 0.20 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1q3r h THR 328 CO 0.02 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1q3r n GLY 329 N 0.19 0.97 3.75 5.82 0.00 0.43 -0.10 105.19 116.25 1q3r n GLY 329 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1q3r n GLY 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r s ALA 330 N -2.33 2.71 -0.22 4.61 0.00 -1.23 -4.65 121.76 120.64 1q3r s ALA 330 Ca 0.00 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1q3r s ALA 330 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1q3r s ALA 330 CO 0.00 -1.22 0.16 0.21 0.00 0.00 0.00 175.76 174.92 1q3r s LYS 331 N -3.05 4.11 -0.12 0.00 2.47 0.13 -4.52 119.74 118.77 1q3r s LYS 331 Ca 0.73 -0.23 -0.30 0.00 -1.56 0.00 0.00 55.97 54.62 1q3r s LYS 331 Cb -0.35 -3.50 -0.02 0.00 -1.46 0.00 0.00 37.83 32.49 1q3r s LYS 331 CO 0.40 0.13 1.25 0.42 0.16 0.00 0.00 175.35 177.72 1q3r s ILE 332 N 0.85 4.23 0.01 5.43 1.01 -1.26 -4.47 121.20 127.01 1q3r s ILE 332 Ca 0.08 1.52 0.02 0.00 0.00 0.00 0.00 60.65 62.27 1q3r s ILE 332 Cb -0.13 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1q3r s ILE 332 CO 0.03 -0.08 0.02 -0.69 0.00 0.00 0.00 174.94 174.22 1q3r s VAL 333 N 3.02 4.28 -0.14 2.92 1.01 -0.26 -5.01 120.40 126.21 1q3r s VAL 333 Ca 0.56 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1q3r s VAL 333 Cb -0.23 -2.94 -0.26 0.00 0.00 0.00 0.00 36.38 32.95 1q3r s VAL 333 CO 0.18 0.33 0.76 0.74 0.00 0.00 0.00 175.10 177.11 1q3r h THR 334 N 3.34 1.78 -3.52 3.92 2.02 -1.95 -0.12 112.91 118.37 1q3r h THR 334 Ca -0.49 -2.35 -0.67 0.00 0.77 0.00 0.00 66.41 63.68 1q3r h THR 334 Cb 1.18 3.37 -0.25 0.00 -1.74 0.00 0.00 68.15 70.72 1q3r h THR 334 CO 0.59 0.61 -0.75 0.20 0.37 0.00 0.00 175.52 176.54 1q3r s ASN 335 N -6.25 4.18 0.34 4.18 0.02 -1.26 -1.52 114.94 114.63 1q3r s ASN 335 Ca -0.19 -0.24 0.14 0.00 -1.02 0.00 0.00 52.86 51.55 1q3r s ASN 335 Cb -0.03 -1.40 1.10 0.00 0.02 0.00 0.00 41.25 40.94 1q3r s ASN 335 CO 0.69 0.23 1.64 0.58 0.02 0.00 0.00 177.10 180.26 1q3r h VAL 336 N 5.00 0.23 -0.98 1.60 2.07 -1.91 0.13 116.25 122.39 1q3r h VAL 336 Ca -0.34 -0.08 0.20 0.00 0.82 0.00 0.00 66.70 67.31 1q3r h VAL 336 Cb 1.19 -0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1q3r h VAL 336 CO 0.55 0.04 0.56 0.07 0.02 0.00 0.00 177.57 178.82 1q3r h LYS 337 N 0.24 0.64 -0.06 1.57 2.10 -1.94 -0.80 116.57 118.32 1q3r h LYS 337 Ca 0.74 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.35 1q3r h LYS 337 Cb 1.73 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 1q3r h LYS 337 CO -0.65 0.42 0.00 -0.25 -2.00 0.00 0.00 179.45 176.97 1q3r n ASP 338 N -4.84 1.03 -4.72 7.07 10.43 0.45 -4.87 116.55 121.09 1q3r n ASP 338 Ca 0.24 -1.48 -0.42 0.00 2.57 0.00 0.00 54.79 55.70 1q3r n ASP 338 Cb 0.62 -0.04 -0.03 0.00 1.84 0.00 0.00 41.12 43.51 1q3r n ASP 338 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1q3r s LEU 339 N -1.76 4.40 0.28 0.64 2.96 -0.31 -5.03 118.68 119.87 1q3r s LEU 339 Ca 0.35 1.87 0.02 0.00 -0.22 0.00 0.00 54.13 56.15 1q3r s LEU 339 Cb 0.18 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1q3r s LEU 339 CO 0.29 -0.31 0.13 0.42 -1.32 0.00 0.00 176.35 175.56 1q3r s THR 340 N 0.74 0.41 0.18 3.68 -4.23 -1.26 -4.95 115.64 110.22 1q3r s THR 340 Ca 0.54 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 1q3r s THR 340 Cb -0.26 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.11 1q3r s THR 340 CO 0.30 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.54 1q3r h PRO 341 N 2.30 0.61 0.00 3.99 0.11 -1.96 -0.61 132.00 136.44 1q3r h PRO 341 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1q3r h PRO 341 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1q3r h PRO 341 CO 0.56 0.40 0.15 0.39 -0.21 0.00 0.00 178.00 179.29 1q3r n GLU 342 N -4.80 0.11 0.09 1.05 4.71 -1.26 -0.47 120.64 120.07 1q3r n GLU 342 Ca 0.05 0.59 0.06 0.00 -0.01 0.00 0.00 57.16 57.85 1q3r n GLU 342 Cb 0.10 -2.01 -0.02 0.00 -1.01 0.00 0.00 31.44 28.50 1q3r n GLU 342 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1q3r h ASP 343 N 0.00 0.00 -4.06 1.62 3.45 -1.45 -3.44 116.42 112.54 1q3r h ASP 343 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1q3r h ASP 343 Cb 0.31 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 39.18 1q3r h ASP 343 CO 0.00 0.26 0.51 -0.76 -1.57 0.00 0.00 179.24 177.69 1q3r s LEU 344 N -5.66 3.80 0.52 1.55 1.43 0.38 0.18 118.68 120.88 1q3r s LEU 344 Ca -0.01 2.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.64 1q3r s LEU 344 Cb 0.09 -4.42 0.02 0.00 0.03 0.00 0.00 46.19 41.91 1q3r s LEU 344 CO 0.79 -1.44 0.40 -0.83 0.23 0.00 0.00 176.35 175.50 1q3r s GLY 345 N -1.35 2.30 0.00 -3.19 0.00 0.13 -4.23 107.32 100.98 1q3r s GLY 345 Ca 0.73 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1q3r s GLY 345 CO 0.38 -1.89 -0.12 -0.47 0.00 0.00 0.00 173.10 171.00 1q3r s TYR 346 N -2.71 1.04 -0.06 1.90 5.04 0.86 -0.63 117.35 122.79 1q3r s TYR 346 Ca 0.38 -0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.74 1q3r s TYR 346 Cb -0.02 -0.66 0.02 0.00 0.35 0.00 0.00 41.96 41.66 1q3r s TYR 346 CO 0.23 -0.01 0.14 0.00 -1.34 0.00 0.00 175.55 174.58 1q3r s ALA 347 N -0.42 -0.32 0.30 3.97 0.00 -1.15 -4.42 121.76 119.72 1q3r s ALA 347 Ca 0.03 0.53 0.36 0.00 0.00 0.00 0.00 51.96 52.88 1q3r s ALA 347 Cb -0.05 -0.33 1.66 0.00 0.00 0.00 0.00 23.12 24.39 1q3r s ALA 347 CO -0.00 -0.11 2.10 1.49 0.00 0.00 0.00 175.76 179.24 1q3r h GLU 348 N 6.51 0.00 -1.69 0.00 4.81 -1.14 -2.84 114.58 120.23 1q3r h GLU 348 Ca -0.33 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.99 1q3r h GLU 348 Cb 1.17 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.33 1q3r h GLU 348 CO 0.42 0.03 0.06 0.08 -0.73 0.00 0.00 179.01 178.87 1q3r s VAL 349 N -3.87 -0.51 -0.21 0.32 1.01 -0.11 -4.12 120.40 112.91 1q3r s VAL 349 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1q3r s VAL 349 Cb 0.11 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.51 1q3r s VAL 349 CO 0.52 0.00 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 1q3r s VAL 350 N 2.28 2.30 0.04 2.92 1.01 -0.82 -0.93 120.40 127.19 1q3r s VAL 350 Ca -0.07 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 1q3r s VAL 350 Cb -0.08 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 1q3r s VAL 350 CO -0.18 0.37 0.17 -0.70 0.00 0.00 0.00 175.10 174.76 1q3r s GLU 351 N 1.27 0.66 -0.11 2.72 2.12 0.38 -0.78 118.70 124.96 1q3r s GLU 351 Ca 0.02 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 54.58 1q3r s GLU 351 Cb -0.15 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 1q3r s GLU 351 CO -0.10 -0.18 0.25 -2.00 -0.54 0.00 0.00 175.26 172.69 1q3r s GLU 352 N -2.53 3.90 0.07 4.30 2.12 0.35 0.41 118.70 127.33 1q3r s GLU 352 Ca -0.05 0.05 -0.06 0.00 0.36 0.00 0.00 54.97 55.27 1q3r s GLU 352 Cb -0.01 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 1q3r s GLU 352 CO -0.04 0.53 0.12 1.03 -0.54 0.00 0.00 175.26 176.36 1q3r s ARG 353 N -0.40 0.75 -0.14 4.30 0.52 -0.20 -4.93 118.95 118.85 1q3r s ARG 353 Ca 0.17 -1.00 -0.07 0.00 -0.52 0.00 0.00 55.73 54.31 1q3r s ARG 353 Cb -0.13 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1q3r s ARG 353 CO 0.05 -0.21 0.09 0.15 0.02 0.00 0.00 175.30 175.41 1q3r s LYS 354 N -3.71 3.61 -0.09 3.54 1.02 -1.26 -0.12 119.74 122.73 1q3r s LYS 354 Ca 0.04 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 1q3r s LYS 354 Cb 0.05 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1q3r s LYS 354 CO -0.10 0.57 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.35 1q3r s LEU 355 N -0.45 0.89 -1.47 3.17 1.43 0.16 -4.71 118.68 117.72 1q3r s LEU 355 Ca 0.11 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1q3r s LEU 355 Cb -0.12 -0.62 0.03 0.00 0.03 0.00 0.00 46.19 45.51 1q3r s LEU 355 CO 0.02 -0.15 0.81 0.00 0.23 0.00 0.00 176.35 177.26 1q3r n ALA 356 N 5.00 -1.13 0.00 4.21 0.00 -1.26 -0.91 120.51 126.42 1q3r n ALA 356 Ca -0.10 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1q3r n ALA 356 Cb 0.50 -4.30 0.00 0.00 0.00 0.00 0.00 19.45 15.65 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 -1.64 2.97 3.86 0.00 0.00 -1.26 -5.01 105.19 104.10 1q3r n GLY 357 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1q3r n GLY 357 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q3r s GLU 358 N 0.00 3.77 0.21 1.61 1.03 -0.09 -4.97 118.70 120.25 1q3r s GLU 358 Ca 0.00 0.22 -0.29 0.00 0.03 0.00 0.00 54.97 54.93 1q3r s GLU 358 Cb 0.00 -3.15 -0.08 0.00 -0.80 0.00 0.00 34.13 30.10 1q3r s GLU 358 CO 0.00 0.67 0.91 -0.80 -1.33 0.00 0.00 175.26 174.71 1q3r s ASN 359 N -1.30 7.58 0.04 0.83 0.01 -1.26 0.40 114.94 121.24 1q3r s ASN 359 Ca 0.25 1.87 -0.07 0.00 -0.71 0.00 0.00 52.86 54.20 1q3r s ASN 359 Cb -0.15 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 1q3r s ASN 359 CO 0.13 0.14 0.13 -0.04 -1.51 0.00 0.00 177.10 175.95 1q3r s MET 360 N -1.00 0.64 -0.17 -0.60 -1.94 0.83 -4.02 119.30 113.05 1q3r s MET 360 Ca 0.41 -0.76 -0.07 0.00 -1.71 0.00 0.00 55.69 53.56 1q3r s MET 360 Cb -0.25 0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.81 1q3r s MET 360 CO 0.31 -0.17 0.07 0.42 -0.01 0.00 0.00 175.02 175.63 1q3r s ILE 361 N -2.77 4.87 -0.17 2.53 -1.09 0.75 -1.03 121.20 124.29 1q3r s ILE 361 Ca -0.04 -0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1q3r s ILE 361 Cb -0.00 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.68 1q3r s ILE 361 CO -0.05 0.49 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.72 1q3r s PHE 362 N 0.12 2.93 -0.37 3.97 0.40 0.17 -0.34 117.98 124.86 1q3r s PHE 362 Ca 0.05 -0.65 0.03 0.00 -0.60 0.00 0.00 56.93 55.76 1q3r s PHE 362 Cb -0.12 -1.97 0.10 0.00 0.51 0.00 0.00 43.02 41.54 1q3r s PHE 362 CO 0.00 -0.28 0.09 0.08 0.70 0.00 0.00 175.22 175.82 1q3r s VAL 363 N 0.77 2.50 0.16 -0.44 1.01 0.89 -0.47 120.40 124.83 1q3r s VAL 363 Ca -0.03 -2.36 0.03 0.00 0.00 0.00 0.00 61.98 59.62 1q3r s VAL 363 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1q3r s VAL 363 CO 0.02 -0.63 -0.03 -1.83 0.00 0.00 0.00 175.10 172.62 1q3r s GLU 364 N 0.87 1.09 0.00 2.72 -1.05 -0.11 -0.26 118.70 121.96 1q3r s GLU 364 Ca 0.11 -1.51 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 1q3r s GLU 364 Cb -0.20 -0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.11 1q3r s GLU 364 CO -0.07 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1q3r n GLY 365 N -0.23 0.65 3.74 -3.83 0.00 -1.19 -0.93 105.19 103.41 1q3r n GLY 365 Ca -0.08 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1q3r n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r n LYS 367 N -1.90 0.00 -3.31 0.00 4.81 -1.26 -4.39 118.16 112.11 1q3r n LYS 367 Ca 0.14 0.05 -0.27 0.00 -0.87 0.00 0.00 58.31 57.37 1q3r n LYS 367 Cb 0.49 -0.65 -0.07 0.00 0.02 0.00 0.00 35.03 34.82 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 -0.20 3.62 -4.58 3.14 2.85 -1.26 -5.08 115.26 113.74 1q3r n ASN 368 Ca 0.00 -3.44 -0.52 0.00 -0.11 0.00 0.00 54.58 50.51 1q3r n ASN 368 Cb 0.00 -0.65 -0.06 0.00 1.24 0.00 0.00 39.78 40.32 1q3r n ASN 368 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1q3r n PRO 369 N 0.65 1.06 0.00 1.20 -0.04 -1.26 -4.87 135.00 131.75 1q3r n PRO 369 Ca 0.29 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 64.22 1q3r n PRO 369 Cb 0.42 -2.00 0.01 0.00 -0.04 0.00 0.00 33.50 31.89 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 2.35 1.58 -4.28 0.54 4.76 -0.78 -4.58 118.16 117.75 1q3r n LYS 370 Ca 0.18 -0.95 -0.19 0.00 -2.87 0.00 0.00 58.31 54.48 1q3r n LYS 370 Cb 0.19 -1.32 -0.16 0.00 -1.84 0.00 0.00 35.03 31.90 1q3r n LYS 370 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q3r s ALA 371 N -1.96 0.72 0.08 7.82 0.00 -1.25 -4.64 121.76 122.53 1q3r s ALA 371 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1q3r s ALA 371 Cb 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1q3r s ALA 371 CO 0.41 0.09 -0.06 0.54 0.00 0.00 0.00 175.76 176.74 1q3r s VAL 372 N 0.35 0.57 -0.07 0.00 0.11 0.17 -4.31 120.40 117.22 1q3r s VAL 372 Ca -0.05 -1.74 0.03 0.00 -2.93 0.00 0.00 61.98 57.29 1q3r s VAL 372 Cb -0.09 -1.44 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 1q3r s VAL 372 CO 0.00 -0.81 -0.16 -0.89 -3.33 0.00 0.00 175.10 169.91 1q3r s THR 373 N -3.25 1.43 -0.34 5.04 2.01 -0.94 0.24 115.64 119.84 1q3r s THR 373 Ca 0.07 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1q3r s THR 373 Cb 0.03 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.27 1q3r s THR 373 CO -0.05 0.42 0.20 -0.63 -0.69 0.00 0.00 174.62 173.87 1q3r s ILE 374 N 0.39 4.83 -0.25 1.82 1.01 0.85 0.56 121.20 130.40 1q3r s ILE 374 Ca -0.12 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 1q3r s ILE 374 Cb -0.15 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1q3r s ILE 374 CO 0.04 -0.04 0.73 -0.22 0.00 0.00 0.00 174.94 175.45 1q3r s LEU 375 N 1.64 4.07 -0.25 2.97 0.20 0.12 -1.60 118.68 125.83 1q3r s LEU 375 Ca 0.05 0.86 -0.09 0.00 0.69 0.00 0.00 54.13 55.64 1q3r s LEU 375 Cb -0.18 -3.02 -0.04 0.00 -0.43 0.00 0.00 46.19 42.52 1q3r s LEU 375 CO 0.08 -0.45 0.13 -0.63 -0.29 0.00 0.00 176.35 175.19 1q3r s ILE 376 N 2.68 4.99 0.23 6.68 1.01 0.59 -1.33 121.20 136.05 1q3r s ILE 376 Ca 0.30 0.06 0.08 0.00 0.00 0.00 0.00 60.65 61.09 1q3r s ILE 376 Cb -0.15 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1q3r s ILE 376 CO 0.08 0.33 0.03 -0.13 0.00 0.00 0.00 174.94 175.25 1q3r s ARG 377 N 1.33 2.44 0.13 2.79 1.81 -1.26 -1.49 118.95 124.70 1q3r s ARG 377 Ca 0.06 -1.24 -0.25 0.00 -1.72 0.00 0.00 55.73 52.59 1q3r s ARG 377 Cb -0.15 -2.30 0.08 0.00 -0.45 0.00 0.00 34.95 32.13 1q3r s ARG 377 CO 0.06 0.41 1.07 0.20 -0.68 0.00 0.00 175.30 176.36 1q3r s GLY 378 N -3.42 -0.08 0.12 -3.53 0.00 -0.90 -3.70 107.32 95.81 1q3r s GLY 378 Ca 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.92 1q3r s GLY 378 CO 0.20 1.68 1.28 -1.33 0.00 0.00 0.00 173.10 174.93 1q3r h GLY 379 N 2.00 0.56 -2.40 0.20 0.00 -1.77 0.30 103.07 101.96 1q3r h GLY 379 Ca -0.27 -0.96 -0.25 0.00 0.00 0.00 0.00 47.33 45.86 1q3r h GLY 379 CO 0.31 0.85 -0.50 -0.51 0.00 0.00 0.00 176.54 176.69 1q3r s THR 380 N -3.33 0.00 0.15 4.70 -4.23 -1.26 -4.52 115.64 107.14 1q3r s THR 380 Ca -0.07 -1.89 -0.13 0.00 -1.18 0.00 0.00 61.69 58.42 1q3r s THR 380 Cb 0.08 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1q3r s THR 380 CO 0.88 0.00 1.65 -0.33 -0.54 0.00 0.00 174.62 176.28 1q3r h GLU 381 N 2.47 0.79 -0.63 3.99 3.07 -1.98 -1.90 114.58 120.38 1q3r h GLU 381 Ca -0.33 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.30 1q3r h GLU 381 Cb 1.25 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 1q3r h GLU 381 CO 0.47 0.78 0.24 0.45 -1.40 0.00 0.00 179.01 179.55 1q3r h HIS 382 N 0.67 0.94 -0.64 4.33 3.86 -1.97 0.83 115.15 123.17 1q3r h HIS 382 Ca 0.15 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1q3r h HIS 382 Cb 0.35 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1q3r h HIS 382 CO 0.02 0.73 0.15 0.28 0.86 0.00 0.00 177.93 179.97 1q3r h VAL 383 N 0.91 1.26 -0.37 2.45 2.07 -1.91 -2.21 116.25 118.45 1q3r h VAL 383 Ca 0.21 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1q3r h VAL 383 Cb 0.19 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1q3r h VAL 383 CO -0.02 0.35 -0.27 0.40 0.02 0.00 0.00 177.57 178.05 1q3r h ILE 384 N 0.94 1.28 -0.56 4.57 2.04 -0.72 -2.02 117.51 123.03 1q3r h ILE 384 Ca 0.20 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 1q3r h ILE 384 Cb 0.36 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1q3r h ILE 384 CO 0.00 0.47 0.05 0.44 0.00 0.00 0.00 178.15 179.11 1q3r h ASP 385 N 0.66 0.88 0.82 1.72 3.32 -0.60 -1.44 116.42 121.78 1q3r h ASP 385 Ca 0.08 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.78 1q3r h ASP 385 Cb 0.80 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1q3r h ASP 385 CO 0.07 0.92 -0.69 -0.08 -1.72 0.00 0.00 179.24 177.73 1q3r h GLU 386 N 0.86 0.00 -0.08 3.56 4.57 -1.26 -2.24 114.58 119.99 1q3r h GLU 386 Ca 0.17 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.14 1q3r h GLU 386 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1q3r h GLU 386 CO 0.02 0.69 -0.80 0.28 -1.18 0.00 0.00 179.01 178.01 1q3r h VAL 387 N 0.00 1.34 -0.93 0.32 2.07 -1.15 -0.74 116.25 117.16 1q3r h VAL 387 Ca -0.01 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1q3r h VAL 387 Cb 1.28 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 1q3r h VAL 387 CO 0.09 0.66 0.58 -0.08 0.02 0.00 0.00 177.57 178.83 1q3r h GLU 388 N 0.36 1.25 -0.30 1.57 4.81 -1.12 0.20 114.58 121.35 1q3r h GLU 388 Ca -0.05 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 1q3r h GLU 388 Cb 1.41 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1q3r h GLU 388 CO 0.15 0.86 -0.26 0.00 -0.73 0.00 0.00 179.01 179.03 1q3r h ARG 389 N 1.27 0.71 -0.92 1.92 3.08 -1.27 0.12 114.38 119.30 1q3r h ARG 389 Ca 0.34 -0.36 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1q3r h ARG 389 Cb -0.08 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.91 1q3r h ARG 389 CO -0.07 0.97 0.59 0.00 -1.07 0.00 0.00 179.97 180.40 1q3r h ALA 390 N 0.73 1.58 -0.10 0.04 0.00 -0.45 -1.73 119.26 119.32 1q3r h ALA 390 Ca 0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1q3r h ALA 390 Cb 0.82 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1q3r h ALA 390 CO 0.07 0.25 -0.85 -0.07 0.00 0.00 0.00 179.25 178.65 1q3r h LEU 391 N 0.95 0.92 -1.39 0.00 3.38 -0.38 -2.62 115.31 116.17 1q3r h LEU 391 Ca 0.42 -0.67 0.18 0.00 0.09 0.00 0.00 57.88 57.90 1q3r h LEU 391 Cb 0.35 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1q3r h LEU 391 CO -0.18 1.45 0.58 -0.33 0.09 0.00 0.00 178.44 180.05 1q3r h GLU 392 N 0.46 0.52 0.09 1.13 5.08 -0.09 0.11 114.58 121.88 1q3r h GLU 392 Ca -0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1q3r h GLU 392 Cb 1.49 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1q3r h GLU 392 CO 0.17 0.35 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.04 1q3r h ASP 393 N 0.54 -0.10 -0.65 1.42 3.32 -1.37 -2.58 116.42 117.00 1q3r h ASP 393 Ca 0.47 -0.48 0.13 0.00 0.02 0.00 0.00 57.03 57.17 1q3r h ASP 393 Cb 0.97 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.45 1q3r h ASP 393 CO -0.21 0.49 0.11 0.00 -1.72 0.00 0.00 179.24 177.92 1q3r h ALA 394 N -0.01 0.76 -0.74 3.45 0.00 -0.98 0.13 119.26 121.87 1q3r h ALA 394 Ca -0.01 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1q3r h ALA 394 Cb 0.58 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1q3r h ALA 394 CO 0.02 -0.34 0.47 0.28 0.00 0.00 0.00 179.25 179.68 1q3r h VAL 395 N 0.23 1.10 -0.13 0.00 2.07 -0.87 -2.01 116.25 116.65 1q3r h VAL 395 Ca 0.35 -0.31 -0.20 0.00 0.82 0.00 0.00 66.70 67.36 1q3r h VAL 395 Cb 0.56 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1q3r h VAL 395 CO -0.47 0.17 -0.73 0.50 0.02 0.00 0.00 177.57 177.06 1q3r h LYS 396 N 0.91 0.61 -0.28 1.57 3.64 -0.45 -1.82 116.57 120.75 1q3r h LYS 396 Ca 0.30 -0.49 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 1q3r h LYS 396 Cb 0.02 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1q3r h LYS 396 CO -0.11 1.11 -0.35 -0.39 -2.27 0.00 0.00 179.45 177.43 1q3r h VAL 397 N 0.43 1.29 -0.37 2.00 -1.51 -0.75 -0.07 116.25 117.27 1q3r h VAL 397 Ca -0.04 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 63.92 1q3r h VAL 397 Cb 1.33 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.93 1q3r h VAL 397 CO 0.14 0.48 0.14 0.58 -1.23 0.00 0.00 177.57 177.68 1q3r h VAL 398 N 0.52 1.19 -0.67 7.19 2.07 -1.36 -2.21 116.25 122.99 1q3r h VAL 398 Ca 0.05 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1q3r h VAL 398 Cb 0.85 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1q3r h VAL 398 CO 0.07 0.21 0.34 0.50 0.02 0.00 0.00 177.57 178.71 1q3r h LYS 399 N 0.44 0.58 -0.45 1.57 3.64 -0.97 -2.15 116.57 119.24 1q3r h LYS 399 Ca 0.12 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1q3r h LYS 399 Cb 0.19 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 1q3r h LYS 399 CO -0.01 0.38 0.06 -0.44 -2.27 0.00 0.00 179.45 177.17 1q3r h ASP 400 N 0.60 -0.07 1.02 4.20 3.32 -0.41 -2.08 116.42 123.00 1q3r h ASP 400 Ca 0.32 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1q3r h ASP 400 Cb 0.29 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1q3r h ASP 400 CO -0.23 -0.00 -0.05 0.58 -1.72 0.00 0.00 179.24 177.82 1q3r h VAL 401 N 0.18 0.13 0.00 -1.35 2.07 -1.02 0.34 116.25 116.60 1q3r h VAL 401 Ca 0.22 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1q3r h VAL 401 Cb 0.30 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1q3r h VAL 401 CO -0.32 0.05 -0.33 0.24 0.02 0.00 0.00 177.57 177.23 1q3r h MET 402 N 0.00 0.00 0.00 1.57 2.86 -0.82 -3.26 114.93 115.27 1q3r h MET 402 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1q3r h MET 402 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1q3r h MET 402 CO 0.01 0.00 -1.52 0.39 1.06 0.00 0.00 176.91 176.85 1q3r n GLU 403 N -2.96 0.49 -3.86 1.72 1.02 -0.99 -3.97 120.64 112.09 1q3r n GLU 403 Ca 0.03 -0.11 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 1q3r n GLU 403 Cb 0.54 -1.48 -0.17 0.00 -0.02 0.00 0.00 31.44 30.30 1q3r n GLU 403 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q3r s ASP 404 N -3.75 1.96 0.00 1.62 -0.00 0.08 -4.88 116.67 111.70 1q3r s ASP 404 Ca -0.01 -0.22 0.06 0.00 -0.00 0.00 0.00 52.55 52.38 1q3r s ASP 404 Cb 0.14 -0.69 0.35 0.00 -0.00 0.00 0.00 42.92 42.72 1q3r s ASP 404 CO 0.85 -0.15 0.93 0.61 -0.00 0.00 0.00 175.17 177.42 1q3r n GLY 405 N 5.01 -0.66 3.83 0.21 0.00 -1.26 -4.18 105.19 108.14 1q3r n GLY 405 Ca -0.11 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 3.58 0.09 4.61 0.00 -1.26 0.19 121.76 126.97 1q3r s ALA 406 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1q3r s ALA 406 Cb 0.04 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1q3r s ALA 406 CO 0.07 0.43 0.23 0.08 0.00 0.00 0.00 175.76 176.56 1q3r s VAL 407 N -1.32 0.13 0.09 0.00 1.01 0.06 -3.03 120.40 117.34 1q3r s VAL 407 Ca 0.34 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1q3r s VAL 407 Cb -0.17 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1q3r s VAL 407 CO 0.19 -0.60 0.11 -0.76 0.00 0.00 0.00 175.10 174.04 1q3r s LEU 408 N -2.85 1.77 0.74 3.92 1.43 0.16 -0.67 118.68 123.17 1q3r s LEU 408 Ca 0.05 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 1q3r s LEU 408 Cb 0.04 0.69 0.03 0.00 0.03 0.00 0.00 46.19 46.98 1q3r s LEU 408 CO -0.11 -0.70 1.10 -2.16 0.23 0.00 0.00 176.35 174.71 1q3r s PRO 409 N -3.91 2.61 0.00 1.29 0.04 -1.26 0.13 135.00 133.89 1q3r s PRO 409 Ca 0.09 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1q3r s PRO 409 Cb 0.06 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1q3r s PRO 409 CO -0.08 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 175.74 1q3r n ALA 410 N -3.14 0.00 -1.63 8.56 0.00 -0.41 -4.26 120.51 119.65 1q3r n ALA 410 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1q3r n ALA 410 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 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 1.06 2.32 0.00 0.00 -1.26 -0.06 105.19 112.25 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 -0.39 0.65 0.27 -0.02 0.00 -1.26 -0.44 105.19 104.00 1q3r n GLY 412 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 0.89 0.24 4.61 0.00 -0.66 -0.21 119.26 124.12 1q3r h ALA 413 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1q3r h ALA 413 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1q3r h ALA 413 CO 0.00 0.29 -0.12 -1.35 0.00 0.00 0.00 179.25 178.07 1q3r h PRO 414 N 0.93 -0.31 -0.71 0.00 0.11 -1.77 0.18 132.00 130.43 1q3r h PRO 414 Ca 0.26 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.49 1q3r h PRO 414 Cb -0.09 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.05 1q3r h PRO 414 CO -0.06 -0.05 0.47 1.05 -0.21 0.00 0.00 178.00 179.20 1q3r h GLU 415 N -0.56 0.57 -0.37 1.05 9.09 -1.86 0.29 114.58 122.79 1q3r h GLU 415 Ca -0.03 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 59.27 1q3r h GLU 415 Cb 0.41 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 1q3r h GLU 415 CO 0.05 0.38 -0.05 0.82 0.05 0.00 0.00 179.01 180.26 1q3r h ILE 416 N 0.59 1.27 -0.61 -1.06 2.04 -0.77 0.43 117.51 119.39 1q3r h ILE 416 Ca 0.33 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1q3r h ILE 416 Cb 0.49 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1q3r h ILE 416 CO -0.11 0.36 0.36 -0.08 0.00 0.00 0.00 178.15 178.68 1q3r h GLU 417 N 0.50 0.84 -0.65 2.37 4.57 0.97 -1.88 114.58 121.31 1q3r h GLU 417 Ca 0.10 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1q3r h GLU 417 Cb 0.55 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1q3r h GLU 417 CO 0.03 0.61 0.11 -0.07 -1.18 0.00 0.00 179.01 178.52 1q3r h LEU 418 N 0.83 1.02 -0.85 1.64 3.38 -0.27 -0.95 115.31 120.11 1q3r h LEU 418 Ca 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1q3r h LEU 418 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1q3r h LEU 418 CO -0.04 1.02 0.45 0.00 0.09 0.00 0.00 178.44 179.96 1q3r h ALA 419 N 1.04 1.09 0.18 1.53 0.00 -0.63 0.33 119.26 122.80 1q3r h ALA 419 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1q3r h ALA 419 Cb 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1q3r h ALA 419 CO 0.01 0.61 -0.08 0.82 0.00 0.00 0.00 179.25 180.61 1q3r h ILE 420 N 1.19 0.94 -0.48 0.00 2.04 -1.12 -2.84 117.51 117.25 1q3r h ILE 420 Ca 0.30 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 1q3r h ILE 420 Cb 0.06 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1q3r h ILE 420 CO -0.04 0.17 -0.09 0.03 0.00 0.00 0.00 178.15 178.22 1q3r h ARG 421 N -0.62 0.90 0.00 2.37 3.08 -1.05 -2.90 114.38 116.16 1q3r h ARG 421 Ca -0.02 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 1q3r h ARG 421 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1q3r h ARG 421 CO 0.04 0.98 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.64 1q3r h LEU 422 N 0.75 0.00 -0.36 3.04 3.38 -0.44 -0.78 115.31 120.89 1q3r h LEU 422 Ca 0.12 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1q3r h LEU 422 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1q3r h LEU 422 CO 0.04 0.20 -0.45 -0.78 0.09 0.00 0.00 178.44 177.54 1q3r h ASP 423 N 0.00 0.98 -0.22 -0.43 3.58 -1.35 -1.87 116.42 117.11 1q3r h ASP 423 Ca -0.00 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 1q3r h ASP 423 Cb 0.48 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1q3r h ASP 423 CO 0.03 1.28 0.07 -0.33 -2.88 0.00 0.00 179.24 177.41 1q3r h GLU 424 N 0.72 0.35 -1.00 0.28 4.39 -1.17 -2.71 114.58 115.44 1q3r h GLU 424 Ca 0.04 -0.08 0.18 0.00 0.34 0.00 0.00 59.36 59.84 1q3r h GLU 424 Cb 1.05 -0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.55 1q3r h GLU 424 CO 0.11 0.44 0.60 -0.92 -1.16 0.00 0.00 179.01 178.08 1q3r h TYR 425 N 0.19 1.07 -0.30 4.33 3.20 -1.01 -1.25 116.97 123.20 1q3r h TYR 425 Ca 0.07 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1q3r h TYR 425 Cb 0.24 -0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 1q3r h TYR 425 CO 0.00 0.26 -0.12 0.00 -1.64 0.00 0.00 178.16 176.66 1q3r h ALA 426 N 1.63 0.13 -0.98 1.82 0.00 -1.00 -1.81 119.26 119.05 1q3r h ALA 426 Ca 0.56 0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.80 1q3r h ALA 426 Cb 0.83 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1q3r h ALA 426 CO -0.37 -0.51 0.62 0.87 0.00 0.00 0.00 179.25 179.86 1q3r h LYS 427 N -0.07 0.53 -0.01 0.00 1.57 -1.23 0.27 116.57 117.63 1q3r h LYS 427 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1q3r h LYS 427 Cb 0.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1q3r h LYS 427 CO -0.35 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1q3r n GLN 428 N -4.64 1.25 -0.10 3.15 10.64 -0.69 -3.61 117.38 123.37 1q3r n GLN 428 Ca 0.23 -0.37 -0.19 0.00 -1.83 0.00 0.00 57.00 54.84 1q3r n GLN 428 Cb 0.69 -1.49 -0.08 0.00 -0.86 0.00 0.00 30.24 28.51 1q3r n GLN 428 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1q3r n VAL 429 N -0.55 1.14 -1.39 -0.39 0.31 0.69 -5.11 118.33 113.03 1q3r n VAL 429 Ca 0.22 -0.35 0.11 0.00 -0.01 0.00 0.00 64.34 64.31 1q3r n VAL 429 Cb 0.20 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 1q3r n VAL 429 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q3r n GLY 430 N 2.05 -1.95 7.00 2.92 0.00 0.19 -4.86 105.19 110.53 1q3r n GLY 430 Ca -0.39 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.66 0.03 0.14 -0.02 0.00 -1.26 -2.46 105.19 98.96 1q3r n GLY 431 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.42 1.61 1.57 -1.98 -2.93 116.57 114.42 1q3r h LYS 432 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1q3r h LYS 432 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1q3r h LYS 432 CO 0.00 0.52 0.09 0.93 -0.57 0.00 0.00 179.45 180.42 1q3r h GLU 433 N 0.00 0.62 -0.79 3.15 3.07 -1.85 -1.18 114.58 117.60 1q3r h GLU 433 Ca -0.01 -0.11 0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1q3r h GLU 433 Cb 1.30 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 29.05 1q3r h GLU 433 CO 0.07 0.58 0.48 0.00 -1.40 0.00 0.00 179.01 178.74 1q3r h ALA 434 N 1.49 1.08 -0.27 3.43 0.00 -1.28 0.29 119.26 123.99 1q3r h ALA 434 Ca 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1q3r h ALA 434 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1q3r h ALA 434 CO -0.00 0.21 0.16 -0.07 0.00 0.00 0.00 179.25 179.55 1q3r h LEU 435 N 0.88 0.33 -0.67 0.00 4.07 -1.28 -0.32 115.31 118.32 1q3r h LEU 435 Ca 0.34 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.23 1q3r h LEU 435 Cb 0.16 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1q3r h LEU 435 CO -0.17 0.28 0.31 0.00 -1.08 0.00 0.00 178.44 177.78 1q3r h ALA 436 N 1.06 0.86 0.00 1.53 0.00 -0.85 -1.22 119.26 120.64 1q3r h ALA 436 Ca 0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1q3r h ALA 436 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1q3r h ALA 436 CO -0.02 0.44 -0.32 0.82 0.00 0.00 0.00 179.25 180.18 1q3r h ILE 437 N 0.93 1.15 -0.09 0.00 2.04 -0.17 -1.25 117.51 120.12 1q3r h ILE 437 Ca 0.23 -1.11 -0.23 0.00 1.00 0.00 0.00 64.86 64.75 1q3r h ILE 437 Cb 0.14 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1q3r h ILE 437 CO -0.03 0.31 -0.84 -0.33 0.00 0.00 0.00 178.15 177.26 1q3r h GLU 438 N 0.00 0.67 -0.18 2.37 5.08 -0.48 -2.20 114.58 119.85 1q3r h GLU 438 Ca -0.00 -0.60 -0.12 0.00 -1.00 0.00 0.00 59.36 57.64 1q3r h GLU 438 Cb 0.58 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1q3r h GLU 438 CO 0.04 1.21 -0.39 -0.91 -1.00 0.00 0.00 179.01 177.96 1q3r h ASN 439 N 0.44 0.43 -0.50 1.42 4.21 -0.89 0.19 115.58 120.87 1q3r h ASN 439 Ca -0.07 -0.18 -0.11 0.00 1.21 0.00 0.00 56.30 57.15 1q3r h ASN 439 Cb 1.47 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 38.53 1q3r h ASN 439 CO 0.16 0.78 -0.10 0.15 -1.29 0.00 0.00 177.43 177.14 1q3r h PHE 440 N 0.34 1.09 -0.30 1.19 3.57 -1.21 0.17 116.94 121.79 1q3r h PHE 440 Ca 0.03 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.22 1q3r h PHE 440 Cb 0.84 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1q3r h PHE 440 CO 0.02 1.02 -0.18 0.00 -2.23 0.00 0.00 178.31 176.94 1q3r h ALA 441 N 1.00 0.42 0.15 2.41 0.00 -0.92 -2.97 119.26 119.35 1q3r h ALA 441 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1q3r h ALA 441 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1q3r h ALA 441 CO 0.04 0.35 -0.07 0.22 0.00 0.00 0.00 179.25 179.79 1q3r h ASP 442 N 0.40 -0.17 -0.93 0.00 1.82 -0.39 -2.89 116.42 114.25 1q3r h ASP 442 Ca 0.06 -0.06 0.26 0.00 -0.39 0.00 0.00 57.03 56.90 1q3r h ASP 442 Cb 0.72 0.04 -0.14 0.00 0.68 0.00 0.00 39.33 40.63 1q3r h ASP 442 CO 0.05 -0.05 0.40 0.00 -1.61 0.00 0.00 179.24 178.03 1q3r h ALA 443 N 0.56 1.57 0.00 -0.78 0.00 -0.66 0.10 119.26 120.05 1q3r h ALA 443 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1q3r h ALA 443 Cb 0.22 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1q3r h ALA 443 CO 0.03 -0.47 0.15 1.28 0.00 0.00 0.00 179.25 180.25 1q3r n LEU 444 N -5.11 0.22 0.03 0.00 4.77 -1.09 -1.99 117.00 113.82 1q3r n LEU 444 Ca 0.25 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 1q3r n LEU 444 Cb 0.79 -0.51 0.55 0.00 -2.33 0.00 0.00 43.42 41.92 1q3r n LEU 444 CO 0.09 -0.59 0.93 0.29 -1.33 0.00 0.00 177.39 176.78 1q3r n LYS 445 N -1.77 0.07 0.31 3.23 5.02 0.36 -3.51 118.16 121.88 1q3r n LYS 445 Ca -0.01 0.06 0.18 0.00 -2.02 0.00 0.00 58.31 56.52 1q3r n LYS 445 Cb 0.17 -1.58 1.01 0.00 -0.02 0.00 0.00 35.03 34.60 1q3r n LYS 445 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1q3r h ILE 446 N 0.00 0.36 0.69 -0.18 -0.00 -1.62 0.18 117.51 116.95 1q3r h ILE 446 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.83 1q3r h ILE 446 Cb 0.57 0.99 0.01 0.00 -0.00 0.00 0.00 36.82 38.38 1q3r h ILE 446 CO 0.00 0.00 -0.33 0.40 -0.00 0.00 0.00 178.15 178.22 1q3r h ILE 447 N 0.00 0.00 -0.68 0.16 1.08 -1.82 0.96 117.51 117.20 1q3r h ILE 447 Ca 0.00 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1q3r h ILE 447 Cb 0.03 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.74 1q3r h ILE 447 CO -0.00 0.00 0.42 -0.65 -0.69 0.00 0.00 178.15 177.23 1q3r h PRO 448 N -0.98 0.92 0.25 2.37 0.11 -1.69 0.26 132.00 133.23 1q3r h PRO 448 Ca -0.09 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 65.95 1q3r h PRO 448 Cb 0.71 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1q3r h PRO 448 CO 0.16 0.65 -0.35 -0.22 -0.21 0.00 0.00 178.00 178.02 1q3r h LYS 449 N 0.93 -0.63 0.00 1.05 3.64 -0.56 -1.40 116.57 119.60 1q3r h LYS 449 Ca 0.25 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1q3r h LYS 449 Cb -0.05 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1q3r h LYS 449 CO -0.05 -0.42 0.00 1.79 -2.27 0.00 0.00 179.45 178.50 1q3r h THR 450 N -0.66 0.00 0.02 1.00 1.35 0.11 0.22 112.91 114.96 1q3r h THR 450 Ca 0.00 -0.53 -0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1q3r h THR 450 Cb 0.63 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1q3r h THR 450 CO -0.13 0.00 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.07 1q3r h LEU 451 N 0.00 -0.02 -0.43 3.87 3.38 -0.37 -0.41 115.31 121.33 1q3r h LEU 451 Ca 0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1q3r h LEU 451 Cb 0.59 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1q3r h LEU 451 CO 0.00 0.30 0.08 0.00 0.09 0.00 0.00 178.44 178.91 1q3r h ALA 452 N 0.62 0.56 -0.20 1.53 0.00 -0.93 -2.79 119.26 118.05 1q3r h ALA 452 Ca -0.00 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1q3r h ALA 452 Cb 0.33 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1q3r h ALA 452 CO 0.00 0.27 -0.28 1.49 0.00 0.00 0.00 179.25 180.74 1q3r h GLU 453 N 0.56 -0.30 0.00 0.00 4.81 -0.43 0.00 114.58 119.22 1q3r h GLU 453 Ca 0.13 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1q3r h GLU 453 Cb 0.36 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1q3r h GLU 453 CO 0.01 -0.20 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.14 1q3r h ASN 454 N -0.31 0.00 0.83 1.04 2.35 -0.99 0.53 115.58 119.02 1q3r h ASN 454 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1q3r h ASN 454 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1q3r h ASN 454 CO -0.38 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.43 1q3r n ALA 455 N -2.37 2.29 -0.33 -0.83 0.00 -0.09 -4.82 120.51 114.36 1q3r n ALA 455 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1q3r n ALA 455 Cb 0.12 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1q3r n ALA 455 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 456 N 1.26 1.12 3.60 0.00 0.00 0.18 -5.05 105.19 106.30 1q3r n GLY 456 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1q3r n GLY 456 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q3r s LEU 457 N 0.00 1.21 -0.38 0.99 1.43 -0.79 -4.96 118.68 116.18 1q3r s LEU 457 Ca 0.00 1.25 -0.24 0.00 -1.03 0.00 0.00 54.13 54.10 1q3r s LEU 457 Cb 0.00 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.94 1q3r s LEU 457 CO 0.00 -3.60 0.85 -0.62 0.23 0.00 0.00 176.35 173.22 1q3r s ASP 458 N -3.15 6.60 0.13 2.29 3.68 -1.26 -4.46 116.67 120.50 1q3r s ASP 458 Ca 0.67 0.42 -0.22 0.00 2.13 0.00 0.00 52.55 55.55 1q3r s ASP 458 Cb -0.21 -2.43 -0.02 0.00 -1.45 0.00 0.00 42.92 38.82 1q3r s ASP 458 CO 0.60 -0.81 1.67 0.74 0.13 0.00 0.00 175.17 177.50 1q3r h THR 459 N 5.81 0.63 0.10 1.71 2.02 -1.90 -0.27 112.91 121.02 1q3r h THR 459 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1q3r h THR 459 Cb 1.09 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1q3r h THR 459 CO 0.95 0.00 -0.08 0.58 0.37 0.00 0.00 175.52 177.34 1q3r h VAL 460 N -0.15 0.82 0.06 3.16 2.07 -1.97 -1.55 116.25 118.69 1q3r h VAL 460 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1q3r h VAL 460 Cb 0.29 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1q3r h VAL 460 CO -0.24 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 176.99 1q3r h GLU 461 N -0.19 -0.08 0.12 1.57 5.08 -1.97 -2.78 114.58 116.33 1q3r h GLU 461 Ca -0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1q3r h GLU 461 Cb 0.18 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1q3r h GLU 461 CO -0.01 0.02 -0.44 0.52 -1.00 0.00 0.00 179.01 178.10 1q3r h MET 462 N -0.15 -0.65 -0.91 2.33 2.86 -0.97 -2.11 114.93 115.33 1q3r h MET 462 Ca -0.01 0.04 0.25 0.00 -2.06 0.00 0.00 59.70 57.93 1q3r h MET 462 Cb 0.13 0.15 -0.15 0.00 0.06 0.00 0.00 31.60 31.79 1q3r h MET 462 CO 0.01 -0.43 0.25 -0.07 1.06 0.00 0.00 176.91 177.73 1q3r h LEU 463 N -0.68 0.01 -0.35 1.22 -0.00 -1.22 0.42 115.31 114.71 1q3r h LEU 463 Ca 0.02 0.21 -0.06 0.00 -0.00 0.00 0.00 57.88 58.04 1q3r h LEU 463 Cb 0.70 0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.63 1q3r h LEU 463 CO -0.25 -0.19 -0.02 0.58 -0.00 0.00 0.00 178.44 178.56 1q3r h VAL 464 N 0.19 1.26 -0.19 1.22 2.07 -1.13 -2.29 116.25 117.39 1q3r h VAL 464 Ca 0.59 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1q3r h VAL 464 Cb 1.22 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1q3r h VAL 464 CO -0.68 0.34 0.03 0.11 0.02 0.00 0.00 177.57 177.38 1q3r h LYS 465 N 0.44 0.31 0.25 1.57 1.57 -0.44 -2.05 116.57 118.22 1q3r h LYS 465 Ca 0.10 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1q3r h LYS 465 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1q3r h LYS 465 CO 0.02 0.47 -0.26 0.28 -0.57 0.00 0.00 179.45 179.40 1q3r h VAL 466 N 0.10 0.45 -0.69 0.50 2.07 -0.99 0.93 116.25 118.62 1q3r h VAL 466 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1q3r h VAL 466 Cb 0.31 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1q3r h VAL 466 CO 0.00 0.00 0.43 0.40 0.02 0.00 0.00 177.57 178.43 1q3r h ILE 467 N -0.54 1.19 0.61 4.57 2.04 -1.46 0.62 117.51 124.53 1q3r h ILE 467 Ca -0.01 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1q3r h ILE 467 Cb 0.50 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1q3r h ILE 467 CO -0.06 0.19 -0.42 -1.28 0.00 0.00 0.00 178.15 176.58 1q3r h SER 468 N 0.94 -1.10 -0.20 1.72 0.87 -1.14 0.57 113.55 115.21 1q3r h SER 468 Ca 0.25 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 1q3r h SER 468 Cb -0.07 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1q3r h SER 468 CO -0.05 -0.63 0.04 -0.33 -0.53 0.00 0.00 176.83 175.33 1q3r h GLU 469 N -0.99 0.12 -0.79 2.24 4.39 -0.59 -1.24 114.58 117.72 1q3r h GLU 469 Ca -0.07 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1q3r h GLU 469 Cb 0.82 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.36 1q3r h GLU 469 CO 0.04 0.08 0.41 1.25 -1.16 0.00 0.00 179.01 179.63 1q3r h HIS 470 N 0.12 0.72 -0.26 4.33 2.76 0.39 0.79 115.15 124.01 1q3r h HIS 470 Ca 0.09 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1q3r h HIS 470 Cb 0.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1q3r h HIS 470 CO -0.14 0.22 -0.03 0.87 -1.30 0.00 0.00 177.93 177.55 1q3r h LYS 471 N 0.64 0.39 0.01 5.26 1.57 -0.23 0.17 116.57 124.37 1q3r h LYS 471 Ca 0.41 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1q3r h LYS 471 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1q3r h LYS 471 CO -0.31 0.44 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.09 1q3r h ASN 472 N 0.38 -0.01 1.25 0.86 2.35 0.79 -3.40 115.58 117.80 1q3r h ASN 472 Ca 0.08 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 1q3r h ASN 472 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1q3r h ASN 472 CO 0.01 0.52 -0.78 0.03 -1.65 0.00 0.00 177.43 175.56 1q3r h ARG 473 N -1.00 0.00 0.00 0.81 3.08 0.32 -3.51 114.38 114.08 1q3r h ARG 473 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1q3r h ARG 473 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1q3r h ARG 473 CO 0.00 0.48 0.00 0.41 -1.07 0.00 0.00 179.97 179.80 1q3r n GLY 474 N 1.28 1.67 0.05 0.04 0.00 0.61 -4.82 105.19 104.01 1q3r n GLY 474 Ca -0.01 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.92 1q3r n GLY 474 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q3r n LEU 475 N 0.00 0.03 0.07 0.99 7.94 -1.26 -0.43 117.00 124.33 1q3r n LEU 475 Ca 0.00 0.26 0.12 0.00 -1.11 0.00 0.00 56.01 55.28 1q3r n LEU 475 Cb 0.00 -0.12 0.46 0.00 0.53 0.00 0.00 43.42 44.29 1q3r n LEU 475 CO 0.00 -0.28 0.86 0.61 -1.11 0.00 0.00 177.39 177.47 1q3r n GLY 476 N -1.05 -1.40 3.69 -3.96 0.00 -1.26 -4.67 105.19 96.54 1q3r n GLY 476 Ca 0.05 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.11 3.55 0.21 -0.61 -1.09 0.43 -0.91 121.20 119.66 1q3r s ILE 477 Ca 0.09 0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 59.44 1q3r s ILE 477 Cb 0.13 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1q3r s ILE 477 CO 0.46 -0.01 0.30 0.61 -1.23 0.00 0.00 174.94 175.07 1q3r n GLY 478 N 3.74 2.51 3.73 6.18 0.00 0.01 -4.31 105.19 117.05 1q3r n GLY 478 Ca 0.14 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.66 4.99 -0.81 -0.61 1.01 0.42 -0.77 121.20 122.76 1q3r s ILE 479 Ca 0.17 1.42 -0.05 0.00 0.00 0.00 0.00 60.65 62.19 1q3r s ILE 479 Cb -0.01 -4.03 0.21 0.00 0.01 0.00 0.00 42.46 38.64 1q3r s ILE 479 CO 0.12 0.30 0.69 -0.62 0.00 0.00 0.00 174.94 175.43 1q3r s ASP 480 N 0.52 5.99 0.47 3.58 3.68 0.03 -4.59 116.67 126.36 1q3r s ASP 480 Ca 0.36 -3.23 0.19 0.00 2.13 0.00 0.00 52.55 52.01 1q3r s ASP 480 Cb -0.18 -1.97 1.19 0.00 -1.45 0.00 0.00 42.92 40.51 1q3r s ASP 480 CO 0.18 -0.33 1.98 -0.37 0.13 0.00 0.00 175.17 176.76 1q3r h VAL 481 N 4.58 0.81 -0.15 1.11 -1.51 -1.93 0.55 116.25 119.70 1q3r h VAL 481 Ca 0.09 -0.08 -0.15 0.00 -1.23 0.00 0.00 66.70 65.33 1q3r h VAL 481 Cb 0.91 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1q3r h VAL 481 CO 0.80 0.04 -0.53 -0.26 -1.23 0.00 0.00 177.57 176.39 1q3r h PHE 482 N 0.23 0.56 -0.02 5.19 0.04 -1.95 -3.00 116.94 117.99 1q3r h PHE 482 Ca 0.28 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1q3r h PHE 482 Cb 0.79 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1q3r h PHE 482 CO -0.00 0.88 -0.30 -1.91 -0.60 0.00 0.00 178.31 176.38 1q3r n GLU 483 N -3.95 1.39 -3.50 1.51 4.07 -0.47 -4.99 120.64 114.71 1q3r n GLU 483 Ca -0.03 -1.08 -0.22 0.00 -0.06 0.00 0.00 57.16 55.78 1q3r n GLU 483 Cb 0.59 -1.48 0.07 0.00 -0.06 0.00 0.00 31.44 30.56 1q3r n GLU 483 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1q3r n GLY 484 N 1.37 -0.42 3.65 8.31 0.00 0.18 -5.00 105.19 113.28 1q3r n GLY 484 Ca 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -6.13 0.89 0.95 1.61 -2.85 -1.06 -5.00 119.74 108.16 1q3r s LYS 485 Ca 0.49 -0.45 -0.11 0.00 -1.00 0.00 0.00 55.97 54.91 1q3r s LYS 485 Cb -0.22 0.33 0.16 0.00 -2.06 0.00 0.00 37.83 36.05 1q3r s LYS 485 CO 0.67 -0.40 1.11 -2.14 0.10 0.00 0.00 175.35 174.69 1q3r s PRO 486 N -3.03 0.77 0.00 1.78 0.02 -1.26 -0.79 135.00 132.50 1q3r s PRO 486 Ca 0.10 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.14 1q3r s PRO 486 Cb -0.00 -1.72 0.11 0.00 0.02 0.00 0.00 34.50 32.92 1q3r s PRO 486 CO -0.02 -2.73 1.23 0.00 -0.33 0.00 0.00 177.00 175.15 1q3r s ALA 487 N -2.66 -2.14 -0.39 -1.55 0.00 0.05 -4.71 121.76 110.35 1q3r s ALA 487 Ca 0.66 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 1q3r s ALA 487 Cb -0.22 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1q3r s ALA 487 CO 0.59 -1.04 0.74 0.34 0.00 0.00 0.00 175.76 176.40 1q3r s ASP 488 N -2.94 6.46 0.28 0.00 -1.08 -1.26 -0.81 116.67 117.32 1q3r s ASP 488 Ca 0.14 0.12 0.06 0.00 -0.52 0.00 0.00 52.55 52.35 1q3r s ASP 488 Cb 0.04 -2.37 0.40 0.00 -1.46 0.00 0.00 42.92 39.53 1q3r s ASP 488 CO -0.03 -0.76 1.66 0.24 0.52 0.00 0.00 175.17 176.80 1q3r h MET 489 N 8.65 0.21 -0.42 4.34 2.86 -1.35 -1.69 114.93 127.54 1q3r h MET 489 Ca -0.25 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.21 1q3r h MET 489 Cb 1.10 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1q3r h MET 489 CO 0.91 0.65 -0.01 -0.07 1.06 0.00 0.00 176.91 179.45 1q3r h LEU 490 N 0.17 0.73 -0.08 1.22 -0.00 -1.81 0.15 115.31 115.70 1q3r h LEU 490 Ca 0.01 -0.31 -0.02 0.00 -0.00 0.00 0.00 57.88 57.55 1q3r h LEU 490 Cb 0.91 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1q3r h LEU 490 CO 0.07 0.86 -0.04 -0.08 -0.00 0.00 0.00 178.44 179.25 1q3r h GLU 491 N 0.57 0.16 0.00 1.13 4.57 -1.93 -2.53 114.58 116.56 1q3r h GLU 491 Ca 0.12 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1q3r h GLU 491 Cb 0.49 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1q3r h GLU 491 CO 0.02 0.54 0.00 1.63 -1.18 0.00 0.00 179.01 180.02 1q3r n LYS 492 N -4.76 0.09 -1.43 1.92 4.76 -0.64 -4.83 118.16 113.27 1q3r n LYS 492 Ca -0.07 0.57 -0.03 0.00 -2.87 0.00 0.00 58.31 55.91 1q3r n LYS 492 Cb 0.26 -1.78 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 1q3r n LYS 492 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q3r n GLY 493 N -1.32 0.49 3.35 0.72 0.00 -0.21 -4.99 105.19 103.22 1q3r n GLY 493 Ca -0.01 -0.87 -0.46 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.13 5.38 0.11 -0.61 1.01 0.37 -4.79 121.20 120.54 1q3r s ILE 494 Ca 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 60.65 58.57 1q3r s ILE 494 Cb 0.00 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1q3r s ILE 494 CO 0.00 -1.10 -0.13 0.27 0.00 0.00 0.00 174.94 173.98 1q3r s ILE 495 N 0.89 1.21 0.15 2.92 -4.36 -1.26 -1.28 121.20 119.47 1q3r s ILE 495 Ca 0.18 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1q3r s ILE 495 Cb -0.12 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 1q3r s ILE 495 CO -0.07 -0.41 -0.02 -1.83 0.24 0.00 0.00 174.94 172.85 1q3r s GLU 496 N -2.52 1.04 0.73 0.37 -1.05 0.12 -4.40 118.70 113.00 1q3r s GLU 496 Ca 0.06 -1.48 -0.15 0.00 -0.15 0.00 0.00 54.97 53.25 1q3r s GLU 496 Cb -0.05 -0.28 0.04 0.00 -0.44 0.00 0.00 34.13 33.40 1q3r s GLU 496 CO 0.02 -0.09 1.18 -2.14 0.95 0.00 0.00 175.26 175.19 1q3r s PRO 497 N -3.88 2.19 0.20 -4.83 0.02 -1.26 0.36 135.00 127.79 1q3r s PRO 497 Ca 0.21 1.67 -0.07 0.00 0.02 0.00 0.00 61.00 62.83 1q3r s PRO 497 Cb 0.06 -1.85 0.14 0.00 0.02 0.00 0.00 34.50 32.86 1q3r s PRO 497 CO 0.02 -1.78 1.64 1.25 -0.33 0.00 0.00 177.00 177.80 1q3r h LEU 498 N -0.35 0.92 -0.69 -5.54 6.46 -1.82 -3.08 115.31 111.20 1q3r h LEU 498 Ca -0.47 -0.29 0.09 0.00 -0.12 0.00 0.00 57.88 57.09 1q3r h LEU 498 Cb 1.28 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.89 1q3r h LEU 498 CO 0.50 1.04 0.34 -0.09 -0.62 0.00 0.00 178.44 179.61 1q3r h ARG 499 N 0.82 0.56 -0.72 1.25 2.43 -1.91 -1.87 114.38 114.94 1q3r h ARG 499 Ca 0.13 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.42 1q3r h ARG 499 Cb 0.65 -0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 29.96 1q3r h ARG 499 CO 0.04 0.37 0.14 0.28 -1.51 0.00 0.00 179.97 179.30 1q3r h VAL 500 N 0.58 0.50 0.04 0.20 2.07 -1.85 -1.02 116.25 116.77 1q3r h VAL 500 Ca 0.34 -0.08 -0.20 0.00 0.82 0.00 0.00 66.70 67.58 1q3r h VAL 500 Cb 0.36 0.25 0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1q3r h VAL 500 CO -0.27 0.04 -0.81 0.50 0.02 0.00 0.00 177.57 177.06 1q3r h LYS 501 N 0.23 0.48 -0.19 1.57 1.63 -1.55 -2.83 116.57 115.90 1q3r h LYS 501 Ca 0.40 -0.57 0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1q3r h LYS 501 Cb 0.68 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.45 1q3r h LYS 501 CO -0.52 1.21 0.01 0.87 -3.45 0.00 0.00 179.45 177.57 1q3r h LYS 502 N -0.00 0.08 -0.08 1.90 1.57 -0.87 -1.25 116.57 117.91 1q3r h LYS 502 Ca -0.11 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1q3r h LYS 502 Cb 1.52 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 1q3r h LYS 502 CO 0.16 0.05 0.01 0.37 -0.57 0.00 0.00 179.45 179.47 1q3r h GLN 503 N 0.08 0.13 -0.40 3.15 5.75 -1.33 -2.35 115.11 120.13 1q3r h GLN 503 Ca 0.09 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1q3r h GLN 503 Cb 0.10 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.55 1q3r h GLN 503 CO -0.14 0.37 -0.38 0.00 -2.65 0.00 0.00 178.83 176.03 1q3r h ALA 504 N 0.75 -0.31 -0.26 3.38 0.00 -1.35 0.11 119.26 121.58 1q3r h ALA 504 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1q3r h ALA 504 Cb 0.31 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1q3r h ALA 504 CO 0.00 -0.80 0.06 0.82 0.00 0.00 0.00 179.25 179.33 1q3r h ILE 505 N -0.29 0.88 0.51 0.00 1.08 -1.20 -0.04 117.51 118.45 1q3r h ILE 505 Ca 0.16 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.55 1q3r h ILE 505 Cb 0.57 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1q3r h ILE 505 CO -0.56 0.03 -0.43 0.11 -0.69 0.00 0.00 178.15 176.61 1q3r h LYS 506 N 0.16 -0.88 -0.50 2.37 1.57 -0.68 0.26 116.57 118.86 1q3r h LYS 506 Ca 0.12 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.06 1q3r h LYS 506 Cb 0.12 0.20 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 1q3r h LYS 506 CO -0.15 -0.59 0.01 0.77 -0.57 0.00 0.00 179.45 178.91 1q3r h SER 507 N -0.92 -0.20 -0.13 0.86 0.02 -0.75 0.27 113.55 112.70 1q3r h SER 507 Ca -0.07 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1q3r h SER 507 Cb 0.77 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1q3r h SER 507 CO -0.01 -0.07 0.08 0.00 -1.14 0.00 0.00 176.83 175.70 1q3r h ALA 508 N 1.44 0.16 0.01 3.77 0.00 -0.86 -2.18 119.26 121.60 1q3r h ALA 508 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1q3r h ALA 508 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1q3r h ALA 508 CO -0.41 -0.34 -0.00 1.03 0.00 0.00 0.00 179.25 179.53 1q3r h SER 509 N 0.15 -0.01 0.20 0.00 0.87 0.29 -1.01 113.55 114.04 1q3r h SER 509 Ca 0.05 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1q3r h SER 509 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1q3r h SER 509 CO -0.01 0.07 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.77 1q3r h GLU 510 N -0.09 0.12 -0.07 2.24 5.08 -0.47 -1.61 114.58 119.78 1q3r h GLU 510 Ca -0.00 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1q3r h GLU 510 Cb 0.08 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1q3r h GLU 510 CO 0.00 0.38 -0.80 0.00 -1.00 0.00 0.00 179.01 177.59 1q3r h ALA 511 N 1.63 0.19 -0.15 3.43 0.00 -1.27 -1.99 119.26 121.10 1q3r h ALA 511 Ca 0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1q3r h ALA 511 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1q3r h ALA 511 CO 0.04 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.95 1q3r h ALA 512 N 0.45 0.19 -0.77 0.00 0.00 -0.93 -0.98 119.26 117.22 1q3r h ALA 512 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1q3r h ALA 512 Cb 1.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1q3r h ALA 512 CO 0.16 -0.26 0.48 0.82 0.00 0.00 0.00 179.25 180.45 1q3r h ILE 513 N 0.13 1.21 -0.57 0.00 2.04 -1.34 -0.38 117.51 118.60 1q3r h ILE 513 Ca 0.05 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1q3r h ILE 513 Cb 0.09 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1q3r h ILE 513 CO -0.01 0.21 0.20 -0.03 0.00 0.00 0.00 178.15 178.53 1q3r h MET 514 N 1.06 0.87 -0.34 2.37 4.05 -0.87 -2.56 114.93 119.50 1q3r h MET 514 Ca 0.28 -0.17 -0.17 0.00 -0.28 0.00 0.00 59.70 59.36 1q3r h MET 514 Cb -0.07 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.59 1q3r h MET 514 CO -0.06 0.77 -0.44 0.82 0.23 0.00 0.00 176.91 178.23 1q3r h ILE 515 N 0.79 1.27 0.00 1.77 2.04 -0.61 -2.96 117.51 119.81 1q3r h ILE 515 Ca 0.19 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 1q3r h ILE 515 Cb 0.24 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1q3r h ILE 515 CO -0.01 0.54 -0.10 -0.07 0.00 0.00 0.00 178.15 178.51 1q3r h LEU 516 N 0.71 0.00 -0.16 1.44 4.07 -1.01 -2.08 115.31 118.29 1q3r h LEU 516 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1q3r h LEU 516 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1q3r h LEU 516 CO 0.10 0.10 0.00 0.54 -1.08 0.00 0.00 178.44 178.10 1q3r n ARG 517 N -4.34 0.08 -2.94 1.13 1.74 -0.97 -4.80 116.66 106.56 1q3r n ARG 517 Ca -0.03 0.22 -0.39 0.00 -0.77 0.00 0.00 57.85 56.88 1q3r n ARG 517 Cb 0.17 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 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 -3.09 4.33 0.00 0.55 1.01 -0.78 -4.93 121.20 118.28 1q3r s ILE 518 Ca 0.09 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1q3r s ILE 518 Cb 0.12 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1q3r s ILE 518 CO 0.41 0.52 0.72 -0.90 0.00 0.00 0.00 174.94 175.68 1q3r n ASP 519 N 1.60 0.00 -3.32 3.58 5.75 -1.26 -4.64 116.55 118.26 1q3r n ASP 519 Ca -0.05 -1.51 0.02 0.00 -0.01 0.00 0.00 54.79 53.24 1q3r n ASP 519 Cb 0.48 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.51 -1.24 -0.18 -1.12 -1.08 -1.26 -1.48 116.67 109.80 1q3r s ASP 520 Ca 0.00 1.08 -0.02 0.00 -0.52 0.00 0.00 52.55 53.09 1q3r s ASP 520 Cb 0.00 2.16 -0.01 0.00 -1.46 0.00 0.00 42.92 43.62 1q3r s ASP 520 CO 0.00 -0.23 -0.09 -0.69 0.52 0.00 0.00 175.17 174.68 1q3r s VAL 521 N 2.86 3.17 -0.26 1.11 1.01 -0.30 -4.98 120.40 123.00 1q3r s VAL 521 Ca 0.10 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1q3r s VAL 521 Cb -0.13 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 33.93 1q3r s VAL 521 CO -0.20 0.47 -0.01 -0.63 0.00 0.00 0.00 175.10 174.74 1q3r s ILE 522 N 1.03 1.53 -0.19 2.22 1.01 -1.26 -1.49 121.20 124.04 1q3r s ILE 522 Ca -0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 60.65 59.18 1q3r s ILE 522 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1q3r s ILE 522 CO -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 174.94 174.61 1q3r s ALA 523 N 1.36 2.89 0.56 9.38 0.00 0.35 -4.98 121.76 131.32 1q3r s ALA 523 Ca -0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.77 1q3r s ALA 523 Cb -0.19 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1q3r s ALA 523 CO -0.10 -0.13 1.07 0.00 0.00 0.00 0.00 175.76 176.60 1q3r s ALA 524 N 0.97 2.75 0.04 0.00 0.00 -1.26 -0.60 121.76 123.66 1q3r s ALA 524 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 1q3r s ALA 524 Cb -0.15 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1q3r s ALA 524 CO 0.01 -0.69 1.49 0.21 0.00 0.00 0.00 175.76 176.78 1q3r s LYS 525 N -3.69 4.26 0.00 0.00 2.20 -1.23 -4.84 119.74 116.44 1q3r s LYS 525 Ca 0.66 2.12 0.24 0.00 -0.36 0.00 0.00 55.97 58.63 1q3r s LYS 525 Cb -0.18 -3.52 1.44 0.00 -1.51 0.00 0.00 37.83 34.06 1q3r s LYS 525 CO 0.30 -0.61 1.80 0.00 -0.36 0.00 0.00 175.35 176.49