#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3r1r n LEU 6 N 0.00 -5.83 -4.18 2.23 4.77 -1.26 -4.33 117.00 108.40 3r1r n LEU 6 Ca 0.00 2.87 -0.17 0.00 -0.03 0.00 0.00 56.01 58.68 3r1r n LEU 6 Cb 0.00 -3.08 -0.12 0.00 -2.33 0.00 0.00 43.42 37.89 3r1r n LEU 6 CO 0.00 -2.39 -0.45 -0.69 -1.33 0.00 0.00 177.39 172.54 3r1r s VAL 7 N -0.52 1.10 -0.08 4.08 1.01 0.21 -0.31 120.40 125.89 3r1r s VAL 7 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.58 3r1r s VAL 7 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3r1r s VAL 7 CO 0.00 -0.31 -0.11 -0.89 0.00 0.00 0.00 175.10 173.79 3r1r s THR 8 N -1.59 3.34 0.00 3.92 2.01 -1.08 -1.83 115.64 120.41 3r1r s THR 8 Ca 0.00 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.40 3r1r s THR 8 Cb -0.08 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.07 3r1r s THR 8 CO 0.02 0.58 0.00 1.17 -0.69 0.00 0.00 174.62 175.70 3r1r n LYS 9 N 2.58 2.63 0.06 4.92 4.81 -1.05 -0.25 118.16 131.84 3r1r n LYS 9 Ca -0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.16 3r1r n LYS 9 Cb 0.53 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.45 3r1r n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3r1r h ARG 10 N 0.00 0.08 0.00 1.64 3.08 -2.01 -3.23 114.38 113.94 3r1r h ARG 10 Ca 0.00 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 3r1r h ARG 10 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3r1r h ARG 10 CO 0.00 0.98 -0.69 0.22 -1.07 0.00 0.00 179.97 179.41 3r1r h ASP 11 N 0.02 0.00 0.00 7.04 1.82 -2.04 -3.46 116.42 119.80 3r1r h ASP 11 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 3r1r h ASP 11 Cb 1.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.88 3r1r h ASP 11 CO 0.14 0.69 0.00 0.61 -1.61 0.00 0.00 179.24 179.06 3r1r n GLY 12 N 1.10 1.63 3.65 -0.78 0.00 -1.22 -5.10 105.19 104.46 3r1r n GLY 12 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3r1r n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3r1r s SER 13 N -2.00 6.26 0.96 1.61 0.01 -1.26 -4.74 113.70 114.55 3r1r s SER 13 Ca 0.00 0.29 -0.11 0.00 1.31 0.00 0.00 55.95 57.44 3r1r s SER 13 Cb 0.00 -2.18 0.15 0.00 0.21 0.00 0.00 66.02 64.20 3r1r s SER 13 CO 0.00 -0.05 0.96 0.41 0.41 0.00 0.00 173.24 174.97 3r1r n THR 14 N 4.56 0.00 -3.52 1.44 -1.04 -1.26 -2.54 114.28 111.91 3r1r n THR 14 Ca -0.11 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.05 61.71 3r1r n THR 14 Cb 0.51 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 68.08 3r1r n THR 14 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3r1r s GLU 15 N -4.39 0.74 0.40 -2.82 2.12 -0.76 -4.89 118.70 109.10 3r1r s GLU 15 Ca 0.65 -0.18 -0.14 0.00 0.36 0.00 0.00 54.97 55.66 3r1r s GLU 15 Cb -0.23 0.34 -0.08 0.00 0.26 0.00 0.00 34.13 34.43 3r1r s GLU 15 CO 0.61 -0.31 0.82 -0.98 -0.54 0.00 0.00 175.26 174.86 3r1r s ARG 16 N -2.61 3.92 -0.19 4.30 1.70 -1.26 -0.62 118.95 124.19 3r1r s ARG 16 Ca 0.04 0.68 -0.29 0.00 -0.47 0.00 0.00 55.73 55.69 3r1r s ARG 16 Cb -0.01 -2.34 -0.01 0.00 -0.57 0.00 0.00 34.95 32.02 3r1r s ARG 16 CO -0.06 -0.02 1.29 0.42 -1.08 0.00 0.00 175.30 175.85 3r1r s ILE 17 N -2.28 4.22 -0.41 4.99 1.01 -1.26 -4.78 121.20 122.69 3r1r s ILE 17 Ca 0.55 1.46 -0.10 0.00 0.00 0.00 0.00 60.65 62.55 3r1r s ILE 17 Cb -0.10 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.42 3r1r s ILE 17 CO 0.25 -0.20 0.25 0.20 0.00 0.00 0.00 174.94 175.44 3r1r s ASN 18 N 2.23 5.70 0.00 3.58 0.01 -1.26 -4.20 114.94 120.99 3r1r s ASN 18 Ca 0.56 -1.35 0.19 0.00 -0.71 0.00 0.00 52.86 51.55 3r1r s ASN 18 Cb -0.21 -2.01 0.83 0.00 0.41 0.00 0.00 41.25 40.27 3r1r s ASN 18 CO 0.17 -0.50 1.61 0.18 -1.51 0.00 0.00 177.10 177.04 3r1r n LEU 19 N 4.96 0.00 0.14 0.60 4.77 -1.26 -2.85 117.00 123.36 3r1r n LEU 19 Ca -0.11 0.47 0.02 0.00 -0.03 0.00 0.00 56.01 56.36 3r1r n LEU 19 Cb 0.44 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3r1r n LEU 19 CO 0.39 -0.16 0.48 0.44 -1.33 0.00 0.00 177.39 177.20 3r1r h ASP 20 N 0.00 0.00 0.54 -1.43 3.32 -1.99 -2.78 116.42 114.09 3r1r h ASP 20 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3r1r h ASP 20 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3r1r h ASP 20 CO 0.00 0.52 -0.28 0.11 -1.72 0.00 0.00 179.24 177.87 3r1r h LYS 21 N 0.00 -0.73 0.04 3.56 1.57 -1.96 0.39 116.57 119.44 3r1r h LYS 21 Ca -0.01 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3r1r h LYS 21 Cb 1.35 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.77 3r1r h LYS 21 CO 0.07 -0.49 -0.37 0.82 -0.57 0.00 0.00 179.45 178.91 3r1r h ILE 22 N -0.76 0.23 -0.54 1.86 2.04 -1.70 -1.56 117.51 117.08 3r1r h ILE 22 Ca -0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3r1r h ILE 22 Cb 0.60 0.23 -0.10 0.00 -0.74 0.00 0.00 36.82 36.81 3r1r h ILE 22 CO 0.10 0.00 -0.08 -0.74 0.00 0.00 0.00 178.15 177.43 3r1r h HIS 23 N -0.55 -0.19 -0.25 1.37 2.76 -1.30 -0.52 115.15 116.47 3r1r h HIS 23 Ca 0.05 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3r1r h HIS 23 Cb 0.61 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.66 3r1r h HIS 23 CO -0.36 -0.20 -0.44 0.00 -1.30 0.00 0.00 177.93 175.63 3r1r h ARG 24 N 0.04 -0.41 -0.17 5.26 3.08 0.65 0.32 114.38 123.15 3r1r h ARG 24 Ca 0.27 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.39 3r1r h ARG 24 Cb 0.42 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3r1r h ARG 24 CO -0.52 -0.28 -0.39 0.28 -1.07 0.00 0.00 179.97 178.00 3r1r h VAL 25 N -0.43 0.18 -0.30 2.04 2.07 -0.26 0.12 116.25 119.67 3r1r h VAL 25 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3r1r h VAL 25 Cb 0.61 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3r1r h VAL 25 CO -0.48 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 176.87 3r1r h LEU 26 N -0.44 -0.56 -0.70 2.57 3.38 -0.42 -0.68 115.31 118.47 3r1r h LEU 26 Ca 0.09 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.33 3r1r h LEU 26 Cb 0.60 0.30 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 3r1r h LEU 26 CO -0.41 -0.20 0.17 -0.78 0.09 0.00 0.00 178.44 177.31 3r1r h ASP 27 N -0.13 0.02 0.09 -0.43 3.58 0.48 -0.35 116.42 119.69 3r1r h ASP 27 Ca 0.16 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 3r1r h ASP 27 Cb 0.37 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3r1r h ASP 27 CO -0.38 -0.02 -0.05 -0.25 -2.88 0.00 0.00 179.24 175.66 3r1r h TRP 28 N 0.27 -0.12 0.00 0.28 7.01 0.54 -2.77 115.95 121.16 3r1r h TRP 28 Ca 0.39 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.35 3r1r h TRP 28 Cb 0.63 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 3r1r h TRP 28 CO -0.26 -0.07 -0.17 0.00 -2.79 0.00 0.00 178.44 175.15 3r1r h ALA 29 N 0.78 1.20 0.00 2.65 0.00 -0.35 -2.33 119.26 121.22 3r1r h ALA 29 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3r1r h ALA 29 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3r1r h ALA 29 CO 0.02 0.22 -0.13 0.00 0.00 0.00 0.00 179.25 179.35 3r1r h ALA 30 N 1.83 0.92 -0.71 0.00 0.00 -0.97 -3.41 119.26 116.92 3r1r h ALA 30 Ca -0.00 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.19 3r1r h ALA 30 Cb 0.49 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3r1r h ALA 30 CO 0.02 0.14 0.43 0.39 0.00 0.00 0.00 179.25 180.23 3r1r n GLU 31 N -3.12 0.00 0.00 0.00 1.02 -0.88 -0.26 120.64 117.40 3r1r n GLU 31 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3r1r n GLU 31 Cb 0.58 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 3r1r n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3r1r n GLY 32 N 2.60 2.81 3.85 0.62 0.00 -1.26 -5.02 105.19 108.79 3r1r n GLY 32 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3r1r n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3r1r s LEU 33 N 0.00 3.36 -0.05 0.99 1.43 0.64 -5.06 118.68 119.99 3r1r s LEU 33 Ca 0.00 1.50 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 3r1r s LEU 33 Cb 0.00 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 3r1r s LEU 33 CO 0.00 -0.85 -0.23 -1.00 0.23 0.00 0.00 176.35 174.50 3r1r s HIS 34 N -2.96 2.46 -0.81 0.29 3.76 -1.26 -4.78 115.29 111.99 3r1r s HIS 34 Ca 0.57 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 3r1r s HIS 34 Cb -0.11 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 32.00 3r1r s HIS 34 CO 0.46 -0.09 0.00 0.09 -0.85 0.00 0.00 174.74 174.35 3r1r n ASN 35 N 2.69 -3.66 -4.64 1.40 4.13 -1.26 -4.42 115.26 109.50 3r1r n ASN 35 Ca -0.17 0.14 -0.31 0.00 1.68 0.00 0.00 54.58 55.92 3r1r n ASN 35 Cb 0.52 -2.18 -0.09 0.00 -1.54 0.00 0.00 39.78 36.48 3r1r n ASN 35 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3r1r s VAL 36 N -2.33 3.81 -0.27 2.41 -7.23 -1.26 -4.89 120.40 110.64 3r1r s VAL 36 Ca 0.00 -0.94 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 3r1r s VAL 36 Cb 0.00 -2.75 0.04 0.00 0.56 0.00 0.00 36.38 34.23 3r1r s VAL 36 CO 0.00 0.22 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.42 3r1r s SER 37 N -1.95 4.57 0.25 4.85 0.15 -1.26 -4.98 113.70 115.33 3r1r s SER 37 Ca 0.22 -1.11 -0.05 0.00 0.70 0.00 0.00 55.95 55.71 3r1r s SER 37 Cb -0.11 -1.67 0.34 0.00 -1.71 0.00 0.00 66.02 62.87 3r1r s SER 37 CO 0.13 -0.19 1.86 0.40 1.20 0.00 0.00 173.24 176.64 3r1r h ILE 38 N 6.35 1.07 -0.59 6.45 1.08 -1.99 -0.85 117.51 129.03 3r1r h ILE 38 Ca -0.26 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 63.82 3r1r h ILE 38 Cb 1.08 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3r1r h ILE 38 CO 0.54 0.19 0.23 0.77 -0.69 0.00 0.00 178.15 179.19 3r1r h SER 39 N 1.04 0.82 -0.19 1.72 4.64 -1.98 0.39 113.55 120.00 3r1r h SER 39 Ca 0.39 -0.18 0.05 0.00 -0.47 0.00 0.00 61.79 61.58 3r1r h SER 39 Cb 0.15 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 3r1r h SER 39 CO -0.17 0.78 -0.21 1.56 -0.87 0.00 0.00 176.83 177.92 3r1r h GLN 40 N 0.82 -0.23 0.14 4.77 1.08 -1.68 0.88 115.11 120.89 3r1r h GLN 40 Ca 0.20 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.42 3r1r h GLN 40 Cb 0.22 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3r1r h GLN 40 CO -0.01 -0.16 -0.17 0.28 -0.95 0.00 0.00 178.83 177.82 3r1r h VAL 41 N -0.24 0.61 -0.31 -0.54 2.07 -0.86 -1.02 116.25 115.95 3r1r h VAL 41 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3r1r h VAL 41 Cb 0.42 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3r1r h VAL 41 CO -0.33 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 176.85 3r1r h GLU 42 N -0.36 -0.01 -0.02 1.57 5.08 0.54 -1.51 114.58 119.87 3r1r h GLU 42 Ca 0.01 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3r1r h GLU 42 Cb 0.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3r1r h GLU 42 CO -0.07 -0.01 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.59 3r1r h LEU 43 N -0.01 -0.81 -2.02 1.33 3.38 0.12 0.11 115.31 117.41 3r1r h LEU 43 Ca 0.15 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3r1r h LEU 43 Cb 0.24 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3r1r h LEU 43 CO -0.33 -0.34 -0.08 0.03 0.09 0.00 0.00 178.44 177.82 3r1r h ARG 44 N -0.40 0.00 0.02 1.13 3.08 -0.75 -3.24 114.38 114.23 3r1r h ARG 44 Ca 0.07 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.74 3r1r h ARG 44 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 3r1r h ARG 44 CO -0.25 0.08 -2.33 -1.13 -1.07 0.00 0.00 179.97 175.27 3r1r n SER 45 N -4.09 1.43 -0.32 7.04 3.41 -0.61 -4.45 113.62 116.03 3r1r n SER 45 Ca -0.03 -0.01 -0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3r1r n SER 45 Cb 0.16 -0.10 0.13 0.00 -0.26 0.00 0.00 64.21 64.14 3r1r n SER 45 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3r1r h HIS 46 N 0.01 1.02 -0.12 7.33 3.86 -0.83 -1.33 115.15 125.09 3r1r h HIS 46 Ca -0.53 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 58.75 3r1r h HIS 46 Cb 2.02 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 30.15 3r1r h HIS 46 CO 0.03 0.55 0.31 0.97 0.86 0.00 0.00 177.93 180.65 3r1r h ILE 47 N 1.03 0.15 -0.60 2.45 6.09 -1.77 0.15 117.51 125.01 3r1r h ILE 47 Ca 0.36 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.85 3r1r h ILE 47 Cb 0.10 0.72 0.00 0.00 0.47 0.00 0.00 36.82 38.10 3r1r h ILE 47 CO -0.15 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 174.93 3r1r n GLN 48 N -3.22 3.20 -2.17 2.19 6.02 -0.50 -4.98 117.38 117.92 3r1r n GLN 48 Ca 0.01 -2.67 -0.29 0.00 -0.01 0.00 0.00 57.00 54.04 3r1r n GLN 48 Cb 0.40 -1.67 0.02 0.00 1.02 0.00 0.00 30.24 30.01 3r1r n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3r1r s PHE 49 N -1.47 3.47 -0.09 1.08 0.08 0.51 -5.10 117.98 116.46 3r1r s PHE 49 Ca 0.45 0.98 -0.30 0.00 0.12 0.00 0.00 56.93 58.18 3r1r s PHE 49 Cb 0.27 -2.70 0.10 0.00 -0.57 0.00 0.00 43.02 40.12 3r1r s PHE 49 CO 0.25 -0.72 0.85 1.52 -0.10 0.00 0.00 175.22 177.01 3r1r s TYR 50 N -3.07 -0.48 -0.39 0.36 -0.85 -1.26 -5.08 117.35 106.57 3r1r s TYR 50 Ca 0.54 0.76 -0.44 0.00 -0.52 0.00 0.00 57.07 57.41 3r1r s TYR 50 Cb -0.11 0.45 -0.19 0.00 0.38 0.00 0.00 41.96 42.50 3r1r s TYR 50 CO 0.49 -0.49 1.61 -0.25 -1.52 0.00 0.00 175.55 175.39 3r1r n ASP 51 N 0.65 1.51 -0.18 -0.18 9.92 -1.26 -0.63 116.55 126.38 3r1r n ASP 51 Ca -0.14 1.15 -0.02 0.00 -0.53 0.00 0.00 54.79 55.26 3r1r n ASP 51 Cb 0.58 -0.97 -0.00 0.00 -0.64 0.00 0.00 41.12 40.09 3r1r n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3r1r n GLY 52 N 3.87 0.31 3.67 0.44 0.00 0.58 -4.97 105.19 109.09 3r1r n GLY 52 Ca 0.29 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3r1r n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3r1r s ILE 53 N -2.08 4.40 0.44 -0.61 2.07 0.20 -4.27 121.20 121.34 3r1r s ILE 53 Ca 0.00 1.69 -0.22 0.00 -1.41 0.00 0.00 60.65 60.71 3r1r s ILE 53 Cb 0.00 -4.09 -0.12 0.00 0.13 0.00 0.00 42.46 38.38 3r1r s ILE 53 CO 0.00 -0.11 0.61 0.29 -1.91 0.00 0.00 174.94 173.82 3r1r n LYS 54 N 6.18 0.68 -0.23 3.50 5.02 -1.26 -2.64 118.16 129.41 3r1r n LYS 54 Ca 0.13 0.25 -0.07 0.00 -2.02 0.00 0.00 58.31 56.60 3r1r n LYS 54 Cb 0.46 -1.61 0.07 0.00 -0.02 0.00 0.00 35.03 33.93 3r1r n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3r1r h THR 55 N 0.83 1.26 -0.43 -0.18 1.03 -0.90 -2.64 112.91 111.87 3r1r h THR 55 Ca -0.42 -0.97 0.06 0.00 -0.01 0.00 0.00 66.41 65.07 3r1r h THR 55 Cb 1.39 0.59 -0.05 0.00 -1.07 0.00 0.00 68.15 69.00 3r1r h THR 55 CO 0.52 0.37 0.13 -1.28 -0.01 0.00 0.00 175.52 175.25 3r1r h SER 56 N 1.02 0.11 -0.66 0.00 0.87 -1.89 -1.94 113.55 111.06 3r1r h SER 56 Ca 0.21 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 3r1r h SER 56 Cb 0.38 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 3r1r h SER 56 CO 0.00 0.10 0.31 0.44 -0.53 0.00 0.00 176.83 177.15 3r1r h ASP 57 N 0.29 0.39 -0.42 6.23 3.32 -1.83 -0.34 116.42 124.06 3r1r h ASP 57 Ca 0.20 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.39 3r1r h ASP 57 Cb 0.22 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 3r1r h ASP 57 CO -0.23 0.23 0.02 0.40 -1.72 0.00 0.00 179.24 177.94 3r1r h ILE 58 N 0.54 0.70 -0.05 0.35 1.08 -1.04 0.20 117.51 119.30 3r1r h ILE 58 Ca 0.33 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 64.77 3r1r h ILE 58 Cb 0.34 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3r1r h ILE 58 CO -0.27 0.02 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.42 3r1r h HIS 59 N 0.13 -0.14 -0.47 1.37 2.76 -0.68 -2.00 115.15 116.12 3r1r h HIS 59 Ca 0.21 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.43 3r1r h HIS 59 Cb 0.29 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 3r1r h HIS 59 CO -0.26 -0.09 0.21 0.93 -1.30 0.00 0.00 177.93 177.41 3r1r h GLU 60 N -0.08 0.40 0.16 5.26 4.39 -0.80 -0.68 114.58 123.23 3r1r h GLU 60 Ca 0.04 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3r1r h GLU 60 Cb 0.14 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3r1r h GLU 60 CO -0.10 0.26 -0.33 1.15 -1.16 0.00 0.00 179.01 178.83 3r1r h THR 61 N 0.41 0.30 -0.13 1.13 2.02 -0.67 0.75 112.91 116.71 3r1r h THR 61 Ca 0.21 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 3r1r h THR 61 Cb 0.17 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3r1r h THR 61 CO -0.18 0.00 -0.22 0.16 0.37 0.00 0.00 175.52 175.65 3r1r h ILE 62 N -0.59 1.22 0.25 3.11 3.07 -1.09 0.10 117.51 123.58 3r1r h ILE 62 Ca 0.02 -1.02 -0.01 0.00 1.55 0.00 0.00 64.86 65.40 3r1r h ILE 62 Cb 0.60 1.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.52 3r1r h ILE 62 CO -0.17 0.31 -0.13 0.40 -1.05 0.00 0.00 178.15 177.51 3r1r h ILE 63 N 0.21 0.73 -0.49 0.16 2.04 -0.55 -0.60 117.51 119.01 3r1r h ILE 63 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3r1r h ILE 63 Cb 0.52 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3r1r h ILE 63 CO 0.04 0.00 0.23 0.11 0.00 0.00 0.00 178.15 178.53 3r1r h LYS 64 N -0.35 0.45 -0.38 2.37 1.57 -0.09 0.57 116.57 120.71 3r1r h LYS 64 Ca -0.03 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3r1r h LYS 64 Cb 0.28 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 3r1r h LYS 64 CO 0.04 0.30 -0.43 0.00 -0.57 0.00 0.00 179.45 178.79 3r1r h ALA 65 N 1.27 -0.46 -0.32 3.86 0.00 -0.52 0.89 119.26 123.98 3r1r h ALA 65 Ca 0.22 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3r1r h ALA 65 Cb 0.14 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3r1r h ALA 65 CO -0.16 -0.88 0.19 0.00 0.00 0.00 0.00 179.25 178.40 3r1r h ALA 66 N 0.38 0.41 -0.28 0.00 0.00 -0.28 -2.58 119.26 116.89 3r1r h ALA 66 Ca 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3r1r h ALA 66 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3r1r h ALA 66 CO -0.56 -0.16 0.19 0.00 0.00 0.00 0.00 179.25 178.72 3r1r h ALA 67 N 1.14 1.86 0.00 0.00 0.00 0.27 -2.00 119.26 120.52 3r1r h ALA 67 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3r1r h ALA 67 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3r1r h ALA 67 CO -0.05 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 3r1r n ASP 68 N -4.49 0.00 -1.03 0.00 8.00 0.28 -2.89 116.55 116.42 3r1r n ASP 68 Ca 0.02 0.23 0.11 0.00 0.71 0.00 0.00 54.79 55.85 3r1r n ASP 68 Cb 0.11 -0.40 0.18 0.00 -0.02 0.00 0.00 41.12 40.99 3r1r n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3r1r n LEU 69 N -1.40 3.22 -4.73 0.64 4.77 -0.75 -4.97 117.00 113.79 3r1r n LEU 69 Ca 0.09 -1.41 -0.42 0.00 -0.03 0.00 0.00 56.01 54.24 3r1r n LEU 69 Cb 0.25 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3r1r n LEU 69 CO 0.21 0.67 1.01 -0.38 -1.33 0.00 0.00 177.39 177.57 3r1r n ILE 70 N 1.33 1.91 -3.63 -0.08 5.41 -1.14 -4.81 119.36 118.35 3r1r n ILE 70 Ca 0.17 -0.48 -0.06 0.00 1.00 0.00 0.00 62.75 63.38 3r1r n ILE 70 Cb 0.57 -1.74 -0.02 0.00 -0.71 0.00 0.00 39.64 37.74 3r1r n ILE 70 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3r1r s SER 71 N -0.18 -0.28 0.17 4.38 1.04 -1.02 -4.97 113.70 112.85 3r1r s SER 71 Ca 0.55 -0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.64 3r1r s SER 71 Cb -0.53 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.11 3r1r s SER 71 CO 0.62 -0.80 1.77 0.08 0.98 0.00 0.00 173.24 175.89 3r1r h ARG 72 N 2.00 0.80 0.00 4.02 0.11 -1.94 -2.29 114.38 117.07 3r1r h ARG 72 Ca -0.24 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 59.73 3r1r h ARG 72 Cb 1.24 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 3r1r h ARG 72 CO 0.28 0.63 -0.03 -0.44 0.10 0.00 0.00 179.97 180.52 3r1r h ASP 73 N 0.76 0.00 -2.27 0.08 3.32 -1.97 -3.36 116.42 112.98 3r1r h ASP 73 Ca 0.20 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.66 3r1r h ASP 73 Cb 0.08 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.25 3r1r h ASP 73 CO -0.03 0.03 -1.01 0.00 -1.72 0.00 0.00 179.24 176.50 3r1r n ALA 74 N -2.11 2.75 1.09 3.45 0.00 -0.91 -4.97 120.51 119.82 3r1r n ALA 74 Ca 0.01 -3.18 0.14 0.00 0.00 0.00 0.00 53.44 50.41 3r1r n ALA 74 Cb 0.37 -0.77 0.54 0.00 0.00 0.00 0.00 19.45 19.60 3r1r n ALA 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3r1r n PRO 75 N 2.47 0.12 0.06 0.00 -0.04 -0.95 -2.43 135.00 134.24 3r1r n PRO 75 Ca 0.28 -0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 3r1r n PRO 75 Cb 0.49 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.96 3r1r n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3r1r n ASP 76 N -1.41 0.43 -0.22 3.54 9.92 -1.26 -2.50 116.55 125.04 3r1r n ASP 76 Ca 0.08 0.54 0.06 0.00 -0.53 0.00 0.00 54.79 54.94 3r1r n ASP 76 Cb 0.32 -0.66 0.32 0.00 -0.64 0.00 0.00 41.12 40.47 3r1r n ASP 76 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 3r1r h TYR 77 N 0.00 0.84 -0.73 1.24 0.05 -1.87 1.00 116.97 117.50 3r1r h TYR 77 Ca 0.00 0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.94 3r1r h TYR 77 Cb 0.62 -0.28 -0.14 0.00 1.01 0.00 0.00 36.73 37.94 3r1r h TYR 77 CO 0.00 0.44 -0.24 1.96 -1.05 0.00 0.00 178.16 179.26 3r1r h GLN 78 N 0.82 -0.04 -0.05 4.88 4.20 -1.76 0.39 115.11 123.55 3r1r h GLN 78 Ca 0.34 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.87 3r1r h GLN 78 Cb 0.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3r1r h GLN 78 CO -0.12 -0.03 -0.75 1.88 -0.67 0.00 0.00 178.83 179.14 3r1r h TYR 79 N -0.05 0.42 -0.32 2.96 0.05 -1.06 0.92 116.97 119.90 3r1r h TYR 79 Ca 0.33 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 3r1r h TYR 79 Cb 0.56 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 3r1r h TYR 79 CO -0.63 0.94 0.10 1.25 -1.05 0.00 0.00 178.16 178.78 3r1r h LEU 80 N 0.20 0.47 0.16 3.88 5.85 0.32 -0.13 115.31 126.06 3r1r h LEU 80 Ca -0.03 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3r1r h LEU 80 Cb 1.32 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3r1r h LEU 80 CO 0.12 0.55 -0.07 0.00 -0.34 0.00 0.00 178.44 178.69 3r1r h ALA 81 N 0.94 -0.21 -0.45 1.25 0.00 -0.32 -2.50 119.26 117.97 3r1r h ALA 81 Ca 0.10 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3r1r h ALA 81 Cb 0.24 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3r1r h ALA 81 CO -0.00 -0.57 -0.45 0.00 0.00 0.00 0.00 179.25 178.22 3r1r h ALA 82 N 0.54 -0.47 -0.01 0.00 0.00 -1.05 0.20 119.26 118.47 3r1r h ALA 82 Ca -0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3r1r h ALA 82 Cb 0.23 0.95 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3r1r h ALA 82 CO 0.04 -0.89 -0.18 0.00 0.00 0.00 0.00 179.25 178.22 3r1r h ARG 83 N -0.32 -0.28 -0.55 0.00 3.08 -0.96 0.72 114.38 116.08 3r1r h ARG 83 Ca 0.14 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.32 3r1r h ARG 83 Cb 0.58 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.59 3r1r h ARG 83 CO -0.60 -0.18 -0.18 -0.07 -1.07 0.00 0.00 179.97 177.86 3r1r h LEU 84 N -0.29 -0.64 -0.40 3.04 3.38 -0.90 0.58 115.31 120.07 3r1r h LEU 84 Ca 0.06 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.27 3r1r h LEU 84 Cb 0.36 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 3r1r h LEU 84 CO -0.18 -0.22 0.06 0.00 0.09 0.00 0.00 178.44 178.19 3r1r h ALA 85 N 1.43 0.41 -0.32 1.53 0.00 0.48 -1.29 119.26 121.51 3r1r h ALA 85 Ca 0.26 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3r1r h ALA 85 Cb 0.45 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3r1r h ALA 85 CO -0.59 -0.34 0.12 0.82 0.00 0.00 0.00 179.25 179.26 3r1r h ILE 86 N 0.18 0.92 -0.09 0.00 1.08 0.40 -0.97 117.51 119.04 3r1r h ILE 86 Ca 0.19 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.61 3r1r h ILE 86 Cb 0.24 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 3r1r h ILE 86 CO -0.27 0.05 -0.24 0.15 -0.69 0.00 0.00 178.15 177.14 3r1r h PHE 87 N 0.26 -0.65 -0.83 1.37 3.04 0.47 0.07 116.94 120.67 3r1r h PHE 87 Ca 0.14 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.19 3r1r h PHE 87 Cb 0.10 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.85 3r1r h PHE 87 CO -0.13 -0.33 0.50 1.25 -2.02 0.00 0.00 178.31 177.58 3r1r h HIS 88 N -0.33 0.91 -0.42 0.41 2.76 -1.02 -1.05 115.15 116.41 3r1r h HIS 88 Ca 0.09 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 3r1r h HIS 88 Cb 0.46 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3r1r h HIS 88 CO -0.32 0.43 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.46 3r1r h LEU 89 N 0.88 0.84 0.18 0.26 3.38 -0.64 0.11 115.31 120.32 3r1r h LEU 89 Ca 0.38 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3r1r h LEU 89 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3r1r h LEU 89 CO -0.20 1.02 -0.30 0.03 0.09 0.00 0.00 178.44 179.08 3r1r h ARG 90 N 0.72 -0.50 -0.38 1.13 2.47 0.26 0.41 114.38 118.49 3r1r h ARG 90 Ca 0.10 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.93 3r1r h ARG 90 Cb 0.73 0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 29.07 3r1r h ARG 90 CO 0.06 -0.33 -0.33 0.87 0.56 0.00 0.00 179.97 180.79 3r1r h LYS 91 N -0.52 -0.26 -0.98 0.04 1.79 -1.28 0.62 116.57 115.99 3r1r h LYS 91 Ca -0.02 0.02 0.29 0.00 -2.18 0.00 0.00 60.65 58.76 3r1r h LYS 91 Cb 0.48 0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 31.04 3r1r h LYS 91 CO -0.10 -0.17 0.51 -0.22 -1.08 0.00 0.00 179.45 178.38 3r1r h LYS 92 N -0.27 0.33 0.05 3.15 3.64 -0.32 1.04 116.57 124.21 3r1r h LYS 92 Ca 0.17 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.20 3r1r h LYS 92 Cb 0.54 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3r1r h LYS 92 CO -0.53 0.22 -1.91 0.00 -2.27 0.00 0.00 179.45 174.97 3r1r n ALA 93 N -2.37 1.25 0.11 5.00 0.00 0.14 -4.64 120.51 120.00 3r1r n ALA 93 Ca 0.29 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.99 3r1r n ALA 93 Cb 0.89 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 3r1r n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3r1r n TYR 94 N -3.20 0.00 -1.06 0.00 4.01 0.19 -4.87 117.16 112.22 3r1r n TYR 94 Ca -0.25 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.47 3r1r n TYR 94 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.08 3r1r n TYR 94 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3r1r n GLY 95 N 1.05 0.52 3.54 2.72 0.00 0.35 -4.93 105.19 108.44 3r1r n GLY 95 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 3r1r n GLY 95 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3r1r s GLN 96 N -1.20 0.82 0.08 1.61 -2.07 -1.26 -4.92 119.66 112.72 3r1r s GLN 96 Ca 0.00 -0.32 -0.19 0.00 -1.82 0.00 0.00 55.36 53.03 3r1r s GLN 96 Cb 0.00 0.36 -0.09 0.00 -1.09 0.00 0.00 33.01 32.19 3r1r s GLN 96 CO 0.00 -0.36 1.48 0.35 -1.32 0.00 0.00 175.29 175.44 3r1r h PHE 97 N 2.00 0.49 -2.78 9.60 3.57 -1.89 -3.18 116.94 124.76 3r1r h PHE 97 Ca -0.22 -0.10 -0.56 0.00 3.53 0.00 0.00 57.97 60.62 3r1r h PHE 97 Cb 1.24 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 3r1r h PHE 97 CO 0.27 0.66 1.00 -1.21 -2.23 0.00 0.00 178.31 176.80 3r1r s GLU 98 N -4.82 4.16 0.42 1.11 0.41 -1.26 -4.82 118.70 113.91 3r1r s GLU 98 Ca -0.14 1.87 -0.26 0.00 -0.41 0.00 0.00 54.97 56.03 3r1r s GLU 98 Cb 0.07 -3.88 -0.08 0.00 -1.78 0.00 0.00 34.13 28.45 3r1r s GLU 98 CO 0.75 -0.83 1.32 -1.25 -0.49 0.00 0.00 175.26 174.76 3r1r s PRO 99 N 3.84 3.88 1.26 0.39 0.05 -1.26 -5.00 135.00 138.16 3r1r s PRO 99 Ca 0.64 2.18 -0.17 0.00 0.05 0.00 0.00 61.00 63.70 3r1r s PRO 99 Cb -0.27 -2.71 0.31 0.00 0.05 0.00 0.00 34.50 31.89 3r1r s PRO 99 CO 0.22 -0.57 1.00 -1.25 0.05 0.00 0.00 177.00 176.45 3r1r s PRO 100 N -2.32 -1.68 0.45 0.56 0.04 -1.26 -4.98 135.00 125.81 3r1r s PRO 100 Ca 0.58 0.48 -0.24 0.00 0.04 0.00 0.00 61.00 61.87 3r1r s PRO 100 Cb -0.39 -1.49 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 3r1r s PRO 100 CO 0.49 -4.13 1.22 0.00 0.04 0.00 0.00 177.00 174.62 3r1r s ALA 101 N -2.45 3.05 0.16 8.56 0.00 -1.26 -4.84 121.76 124.98 3r1r s ALA 101 Ca 0.68 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 53.52 3r1r s ALA 101 Cb -0.19 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.58 3r1r s ALA 101 CO 0.61 -0.77 1.66 1.25 0.00 0.00 0.00 175.76 178.52 3r1r h LEU 102 N 2.22 -0.48 -0.02 0.00 5.85 -1.93 0.03 115.31 120.99 3r1r h LEU 102 Ca -0.49 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 3r1r h LEU 102 Cb 1.25 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 3r1r h LEU 102 CO 0.61 -0.17 0.01 0.22 -0.34 0.00 0.00 178.44 178.77 3r1r h TYR 103 N -0.06 0.02 -0.48 1.25 3.20 -1.91 -0.14 116.97 118.85 3r1r h TYR 103 Ca 0.18 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3r1r h TYR 103 Cb 0.34 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 3r1r h TYR 103 CO -0.37 0.05 0.20 -0.44 -1.64 0.00 0.00 178.16 175.96 3r1r h ASP 104 N -0.02 0.24 0.10 -2.11 3.32 -1.85 -0.19 116.42 115.91 3r1r h ASP 104 Ca 0.01 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3r1r h ASP 104 Cb 0.04 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3r1r h ASP 104 CO -0.00 0.17 -0.26 -0.74 -1.72 0.00 0.00 179.24 176.69 3r1r h HIS 105 N 0.39 -0.70 -0.62 4.55 2.76 -0.71 -1.34 115.15 119.48 3r1r h HIS 105 Ca 0.22 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 3r1r h HIS 105 Cb 0.20 0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 3r1r h HIS 105 CO -0.14 -0.36 0.38 0.28 -1.30 0.00 0.00 177.93 176.79 3r1r h VAL 106 N -0.46 1.08 0.35 5.26 2.07 -0.59 0.21 116.25 124.16 3r1r h VAL 106 Ca 0.03 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3r1r h VAL 106 Cb 0.49 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3r1r h VAL 106 CO -0.16 0.14 -0.29 0.58 0.02 0.00 0.00 177.57 177.86 3r1r h VAL 107 N 0.75 0.39 -0.57 2.57 2.07 -0.75 0.22 116.25 120.93 3r1r h VAL 107 Ca 0.25 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.88 3r1r h VAL 107 Cb 0.02 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 3r1r h VAL 107 CO -0.10 0.00 0.02 0.50 0.02 0.00 0.00 177.57 178.01 3r1r h LYS 108 N -0.65 0.14 -0.09 1.57 3.64 -0.98 0.69 116.57 120.89 3r1r h LYS 108 Ca -0.02 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 3r1r h LYS 108 Cb 0.57 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3r1r h LYS 108 CO -0.02 0.09 -0.44 0.52 -2.27 0.00 0.00 179.45 177.32 3r1r h MET 109 N 0.14 0.22 -0.34 1.90 2.86 -0.62 -1.78 114.93 117.32 3r1r h MET 109 Ca 0.30 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 3r1r h MET 109 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3r1r h MET 109 CO -0.47 0.62 -0.07 0.28 1.06 0.00 0.00 176.91 178.33 3r1r h VAL 110 N 0.18 1.28 -0.18 -2.22 2.07 0.99 -0.52 116.25 117.85 3r1r h VAL 110 Ca 0.01 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3r1r h VAL 110 Cb 0.86 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3r1r h VAL 110 CO 0.07 0.37 0.08 -0.33 0.02 0.00 0.00 177.57 177.77 3r1r h GLU 111 N 0.43 0.24 -0.00 1.57 5.08 -0.69 -0.33 114.58 120.88 3r1r h GLU 111 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3r1r h GLU 111 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3r1r h GLU 111 CO 0.03 0.20 -0.17 -1.33 -1.00 0.00 0.00 179.01 176.74 3r1r n MET 112 N -4.47 0.52 -1.80 2.33 2.81 -0.69 -4.92 117.12 110.91 3r1r n MET 112 Ca -0.00 -0.20 -0.08 0.00 -1.81 0.00 0.00 57.70 55.61 3r1r n MET 112 Cb 0.11 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.11 3r1r n MET 112 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3r1r n GLY 113 N 1.35 0.40 0.05 3.03 0.00 -0.14 -4.91 105.19 104.97 3r1r n GLY 113 Ca 0.12 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.63 3r1r n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3r1r n LYS 114 N -2.12 0.63 -4.41 1.61 4.76 -0.30 -4.83 118.16 113.51 3r1r n LYS 114 Ca -0.08 -0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.04 3r1r n LYS 114 Cb 0.45 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 31.90 3r1r n LYS 114 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3r1r s TYR 115 N -3.45 2.41 0.38 2.13 2.02 -1.15 -4.41 117.35 115.27 3r1r s TYR 115 Ca -0.05 -0.30 -0.26 0.00 -0.37 0.00 0.00 57.07 56.09 3r1r s TYR 115 Cb 0.12 -1.07 -0.09 0.00 -0.40 0.00 0.00 41.96 40.52 3r1r s TYR 115 CO 0.86 0.66 1.17 0.34 -1.57 0.00 0.00 175.55 177.01 3r1r s ASP 116 N -3.39 6.63 0.34 2.29 -1.08 0.15 -4.46 116.67 117.14 3r1r s ASP 116 Ca 0.29 2.36 0.17 0.00 -0.52 0.00 0.00 52.55 54.85 3r1r s ASP 116 Cb -0.06 -2.62 0.49 0.00 -1.46 0.00 0.00 42.92 39.28 3r1r s ASP 116 CO 0.15 -0.60 1.64 -0.55 0.52 0.00 0.00 175.17 176.33 3r1r h ASN 117 N 2.82 0.00 -0.61 -0.34 -1.07 -1.92 -3.05 115.58 111.40 3r1r h ASN 117 Ca -0.49 0.00 0.16 0.00 0.07 0.00 0.00 56.30 56.05 3r1r h ASN 117 Cb 1.23 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.45 3r1r h ASN 117 CO 0.63 0.43 0.43 1.12 0.07 0.00 0.00 177.43 180.12 3r1r h HIS 118 N 0.00 0.11 -0.45 4.14 2.07 -1.98 -1.82 115.15 117.22 3r1r h HIS 118 Ca -0.00 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.60 3r1r h HIS 118 Cb 1.05 -0.03 -0.07 0.00 2.57 0.00 0.00 27.41 30.93 3r1r h HIS 118 CO 0.00 0.04 0.04 -0.07 -3.07 0.00 0.00 177.93 174.87 3r1r h LEU 119 N 0.09 -0.09 -1.31 6.12 3.38 -1.92 0.91 115.31 122.48 3r1r h LEU 119 Ca 0.29 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 3r1r h LEU 119 Cb 1.04 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3r1r h LEU 119 CO -0.03 -0.01 -0.27 -0.07 0.09 0.00 0.00 178.44 178.15 3r1r h LEU 120 N 0.16 0.00 0.19 1.67 3.38 -1.55 -1.29 115.31 117.87 3r1r h LEU 120 Ca 0.22 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.88 3r1r h LEU 120 Cb 0.31 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.08 3r1r h LEU 120 CO -0.33 0.27 -1.41 -0.33 0.09 0.00 0.00 178.44 176.73 3r1r h GLU 121 N 0.00 0.40 0.00 1.13 5.08 -1.08 -3.36 114.58 116.74 3r1r h GLU 121 Ca -0.00 -0.68 -0.13 0.00 -1.00 0.00 0.00 59.36 57.55 3r1r h GLU 121 Cb 0.66 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3r1r h GLU 121 CO 0.04 1.31 -0.60 -0.44 -1.00 0.00 0.00 179.01 178.32 3r1r h ASP 122 N 0.11 0.00 -4.21 1.42 5.19 0.10 -3.46 116.42 115.57 3r1r h ASP 122 Ca -0.21 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.63 3r1r h ASP 122 Cb 2.07 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 41.35 3r1r h ASP 122 CO 0.23 0.60 -0.83 -0.31 -3.12 0.00 0.00 179.24 175.81 3r1r s TYR 123 N -3.07 1.79 0.29 4.55 1.51 -0.51 -5.07 117.35 116.85 3r1r s TYR 123 Ca 0.02 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.63 3r1r s TYR 123 Cb 0.09 -1.01 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 3r1r s TYR 123 CO 0.75 0.17 0.57 0.95 -1.11 0.00 0.00 175.55 176.88 3r1r s THR 124 N -1.04 5.01 0.31 -0.71 -4.23 -1.26 -4.66 115.64 109.06 3r1r s THR 124 Ca 0.07 0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3r1r s THR 124 Cb -0.10 -3.73 0.31 0.00 1.34 0.00 0.00 72.50 70.32 3r1r s THR 124 CO 0.03 -0.33 1.79 -0.08 -0.54 0.00 0.00 174.62 175.50 3r1r h GLU 125 N 1.67 0.74 -0.47 3.99 4.81 -1.98 0.64 114.58 123.96 3r1r h GLU 125 Ca -0.48 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.63 3r1r h GLU 125 Cb 1.19 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3r1r h GLU 125 CO 0.66 0.49 -0.04 0.93 -0.73 0.00 0.00 179.01 180.32 3r1r h GLU 126 N 0.76 0.82 -0.56 1.92 3.07 -1.98 0.71 114.58 119.31 3r1r h GLU 126 Ca 0.56 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3r1r h GLU 126 Cb 0.88 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.68 3r1r h GLU 126 CO -0.35 0.85 0.35 0.93 -1.40 0.00 0.00 179.01 179.39 3r1r h GLU 127 N 0.75 0.75 -0.55 2.33 5.08 -0.23 0.99 114.58 123.70 3r1r h GLU 127 Ca 0.14 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3r1r h GLU 127 Cb 0.52 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3r1r h GLU 127 CO 0.03 0.53 0.31 0.74 -1.00 0.00 0.00 179.01 179.61 3r1r h PHE 128 N 0.75 0.75 -0.59 4.33 0.04 -0.51 0.68 116.94 122.40 3r1r h PHE 128 Ca 0.20 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.01 3r1r h PHE 128 Cb -0.04 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 37.81 3r1r h PHE 128 CO -0.03 0.54 0.31 0.87 -0.60 0.00 0.00 178.31 179.40 3r1r h LYS 129 N 0.74 0.56 -0.11 1.51 1.57 -0.18 0.17 116.57 120.83 3r1r h LYS 129 Ca 0.20 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3r1r h LYS 129 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3r1r h LYS 129 CO -0.03 0.37 -0.04 0.37 -0.57 0.00 0.00 179.45 179.55 3r1r h GLN 130 N 0.58 -0.02 -0.45 3.15 4.15 -0.07 -2.59 115.11 119.86 3r1r h GLN 130 Ca 0.26 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.73 3r1r h GLN 130 Cb 0.17 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 3r1r h GLN 130 CO -0.18 -0.01 0.20 0.52 -1.93 0.00 0.00 178.83 177.43 3r1r h MET 131 N -0.02 0.38 -0.94 1.69 2.86 -0.00 -1.63 114.93 117.27 3r1r h MET 131 Ca 0.06 -0.02 0.27 0.00 -2.06 0.00 0.00 59.70 57.94 3r1r h MET 131 Cb 0.11 -0.09 -0.14 0.00 0.06 0.00 0.00 31.60 31.54 3r1r h MET 131 CO -0.13 0.25 0.40 0.22 1.06 0.00 0.00 176.91 178.72 3r1r h ASP 132 N 0.39 0.28 -0.06 1.22 1.82 -0.60 0.65 116.42 120.12 3r1r h ASP 132 Ca 0.20 0.19 0.02 0.00 -0.39 0.00 0.00 57.03 57.04 3r1r h ASP 132 Cb 0.15 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 3r1r h ASP 132 CO -0.17 -0.11 0.06 0.71 -1.61 0.00 0.00 179.24 178.12 3r1r h THR 133 N 0.30 0.64 -0.11 2.25 1.35 -1.12 -1.89 112.91 114.33 3r1r h THR 133 Ca 0.63 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 66.26 3r1r h THR 133 Cb 1.32 0.95 0.01 0.00 -1.73 0.00 0.00 68.15 68.70 3r1r h THR 133 CO -0.61 0.00 -0.83 -0.26 -0.25 0.00 0.00 175.52 173.57 3r1r h PHE 134 N 0.00 0.97 -2.92 4.73 0.04 0.31 -3.46 116.94 116.61 3r1r h PHE 134 Ca 0.03 -0.45 -0.59 0.00 2.80 0.00 0.00 57.97 59.76 3r1r h PHE 134 Cb 0.15 -0.14 0.12 0.00 2.20 0.00 0.00 35.95 38.27 3r1r h PHE 134 CO 0.00 1.27 0.25 -0.89 -0.60 0.00 0.00 178.31 178.34 3r1r n ILE 135 N -3.90 2.15 -3.66 -0.55 5.41 -0.71 -4.99 119.36 113.12 3r1r n ILE 135 Ca -0.08 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.88 3r1r n ILE 135 Cb 0.77 -1.22 -0.13 0.00 -0.71 0.00 0.00 39.64 38.35 3r1r n ILE 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3r1r s ASP 136 N -0.55 3.60 0.62 4.38 -1.08 -1.26 -5.00 116.67 117.37 3r1r s ASP 136 Ca 0.59 -2.21 0.39 0.00 -0.52 0.00 0.00 52.55 50.81 3r1r s ASP 136 Cb -0.61 -0.82 2.07 0.00 -1.46 0.00 0.00 42.92 42.09 3r1r s ASP 136 CO 0.60 -0.32 2.26 0.45 0.52 0.00 0.00 175.17 178.67 3r1r h HIS 137 N 7.23 0.00 0.00 -5.34 3.86 -1.96 -1.24 115.15 117.69 3r1r h HIS 137 Ca -0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 3r1r h HIS 137 Cb 0.96 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 3r1r h HIS 137 CO 0.43 0.01 -0.05 -0.44 0.86 0.00 0.00 177.93 178.75 3r1r h ASP 138 N 0.00 0.00 -0.79 2.45 3.32 -2.03 -1.36 116.42 118.01 3r1r h ASP 138 Ca -0.00 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.23 3r1r h ASP 138 Cb 0.13 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 3r1r h ASP 138 CO 0.00 0.05 0.54 0.03 -1.72 0.00 0.00 179.24 178.14 3r1r h ARG 139 N 0.00 0.29 -1.13 3.56 3.08 -1.62 0.22 114.38 118.78 3r1r h ARG 139 Ca -0.00 -0.02 0.33 0.00 0.07 0.00 0.00 59.98 60.36 3r1r h ARG 139 Cb 0.19 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.07 3r1r h ARG 139 CO 0.01 0.19 0.72 -0.44 -1.07 0.00 0.00 179.97 179.38 3r1r h ASP 140 N 0.30 0.38 0.07 7.04 3.32 -1.45 0.65 116.42 126.73 3r1r h ASP 140 Ca 0.39 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3r1r h ASP 140 Cb 1.09 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3r1r h ASP 140 CO -0.11 -0.02 0.00 0.23 -1.72 0.00 0.00 179.24 177.62 3r1r n MET 141 N -4.68 0.18 0.00 3.56 2.81 0.76 -2.90 117.12 116.85 3r1r n MET 141 Ca 0.30 0.10 0.11 0.00 -1.81 0.00 0.00 57.70 56.40 3r1r n MET 141 Cb 1.07 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 32.06 3r1r n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3r1r n THR 142 N -1.14 0.00 -2.21 2.03 -2.24 0.23 -4.92 114.28 106.03 3r1r n THR 142 Ca 0.05 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 3r1r n THR 142 Cb 0.04 1.21 -0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3r1r n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3r1r s PHE 143 N -2.51 2.95 0.04 4.78 0.08 -1.14 -5.04 117.98 117.13 3r1r s PHE 143 Ca 0.16 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.73 3r1r s PHE 143 Cb 0.17 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 3r1r s PHE 143 CO 0.60 -1.09 0.23 -1.54 -0.10 0.00 0.00 175.22 173.32 3r1r s SER 144 N -2.44 6.39 0.23 1.36 1.04 -1.26 -4.66 113.70 114.36 3r1r s SER 144 Ca 0.66 0.36 -0.10 0.00 0.48 0.00 0.00 55.95 57.35 3r1r s SER 144 Cb -0.17 -2.00 0.34 0.00 0.10 0.00 0.00 66.02 64.28 3r1r s SER 144 CO 0.31 0.20 1.37 0.00 0.98 0.00 0.00 173.24 176.09 3r1r n TYR 145 N 0.57 0.21 -0.14 5.02 9.36 0.21 0.57 117.16 132.97 3r1r n TYR 145 Ca -0.07 1.07 -0.04 0.00 3.32 0.00 0.00 57.90 62.18 3r1r n TYR 145 Cb 0.52 -0.94 0.04 0.00 -0.63 0.00 0.00 39.34 38.33 3r1r n TYR 145 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3r1r h ALA 146 N 1.56 0.48 -0.08 2.98 0.00 -1.86 -0.99 119.26 121.36 3r1r h ALA 146 Ca 0.38 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.42 3r1r h ALA 146 Cb 0.60 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3r1r h ALA 146 CO -0.89 -0.31 -0.22 0.00 0.00 0.00 0.00 179.25 177.82 3r1r h ALA 147 N 1.33 -0.23 -0.59 0.00 0.00 0.01 -0.15 119.26 119.64 3r1r h ALA 147 Ca 0.21 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.24 3r1r h ALA 147 Cb 0.27 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3r1r h ALA 147 CO -0.28 -0.70 0.19 0.28 0.00 0.00 0.00 179.25 178.75 3r1r h VAL 148 N -0.31 0.75 -0.65 0.00 2.07 -0.54 0.32 116.25 117.88 3r1r h VAL 148 Ca 0.08 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.62 3r1r h VAL 148 Cb 0.43 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 3r1r h VAL 148 CO -0.26 0.07 0.01 0.11 0.02 0.00 0.00 177.57 177.51 3r1r h LYS 149 N 0.36 0.12 0.31 1.57 6.56 -0.40 0.16 116.57 125.25 3r1r h LYS 149 Ca 0.30 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.87 3r1r h LYS 149 Cb 0.38 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 3r1r h LYS 149 CO -0.32 0.08 -0.15 1.96 -2.06 0.00 0.00 179.45 178.96 3r1r h GLN 150 N 0.12 -0.40 -0.39 3.15 1.08 0.13 -0.75 115.11 118.06 3r1r h GLN 150 Ca 0.34 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.65 3r1r h GLN 150 Cb 0.57 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 28.00 3r1r h GLN 150 CO -0.56 -0.19 -0.27 -0.07 -0.95 0.00 0.00 178.83 176.80 3r1r h LEU 151 N -0.54 -0.89 -0.75 1.46 3.38 -0.08 0.23 115.31 118.13 3r1r h LEU 151 Ca -0.04 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3r1r h LEU 151 Cb 0.40 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3r1r h LEU 151 CO 0.07 -0.28 0.48 -0.08 0.09 0.00 0.00 178.44 178.72 3r1r h GLU 152 N -0.20 0.91 -0.01 1.13 4.81 -0.63 -0.54 114.58 120.05 3r1r h GLU 152 Ca 0.18 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.14 3r1r h GLU 152 Cb 0.49 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3r1r h GLU 152 CO -0.50 0.60 -0.90 0.78 -0.73 0.00 0.00 179.01 178.26 3r1r h GLY 153 N 0.94 0.43 -1.69 1.92 0.00 -0.14 -3.42 103.07 101.11 3r1r h GLY 153 Ca 0.30 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 3r1r h GLY 153 CO -0.10 0.64 -0.52 0.58 0.00 0.00 0.00 176.54 177.13 3r1r n LYS 154 N -3.75 0.00 0.07 4.80 2.85 0.72 -4.97 118.16 117.88 3r1r n LYS 154 Ca -0.06 -1.08 0.00 0.00 -1.05 0.00 0.00 58.31 56.12 3r1r n LYS 154 Cb 0.81 -0.13 0.00 0.00 -0.65 0.00 0.00 35.03 35.06 3r1r n LYS 154 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3r1r n TYR 155 N 0.14 -0.98 -1.70 5.58 4.02 -0.37 -4.59 117.16 119.25 3r1r n TYR 155 Ca -0.02 0.17 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 3r1r n TYR 155 Cb 0.79 0.30 -0.01 0.00 -0.02 0.00 0.00 39.34 40.40 3r1r n TYR 155 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3r1r n LEU 156 N -3.27 3.57 -4.69 7.72 4.77 -0.35 -4.37 117.00 120.37 3r1r n LEU 156 Ca 0.00 1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 3r1r n LEU 156 Cb 0.07 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.65 3r1r n LEU 156 CO 0.00 -0.41 1.22 -0.69 -1.33 0.00 0.00 177.39 176.18 3r1r s VAL 157 N -0.78 3.31 0.23 4.08 1.01 -1.26 -4.94 120.40 122.04 3r1r s VAL 157 Ca 0.59 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 3r1r s VAL 157 Cb -0.58 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 3r1r s VAL 157 CO 0.59 0.01 0.44 0.00 0.00 0.00 0.00 175.10 176.13 3r1r s GLN 158 N 2.35 1.45 -0.29 2.72 -2.07 -1.26 -0.78 119.66 121.77 3r1r s GLN 158 Ca 0.69 -1.21 -0.15 0.00 -1.82 0.00 0.00 55.36 52.86 3r1r s GLN 158 Cb -0.36 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 31.98 3r1r s GLN 158 CO 0.30 -0.59 0.39 1.21 -1.32 0.00 0.00 175.29 175.28 3r1r s ASN 159 N -3.00 6.25 0.22 12.60 3.84 0.14 -4.95 114.94 130.04 3r1r s ASN 159 Ca 0.21 0.15 0.08 0.00 0.21 0.00 0.00 52.86 53.51 3r1r s ASN 159 Cb 0.00 -2.22 0.17 0.00 -0.55 0.00 0.00 41.25 38.65 3r1r s ASN 159 CO 0.06 -0.25 1.50 0.03 -2.79 0.00 0.00 177.10 175.65 3r1r h ARG 160 N 8.26 0.06 0.13 0.43 2.47 -1.90 0.90 114.38 124.73 3r1r h ARG 160 Ca -0.31 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.35 3r1r h ARG 160 Cb 1.15 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3r1r h ARG 160 CO 0.67 0.77 -0.06 0.28 0.56 0.00 0.00 179.97 182.19 3r1r h VAL 161 N 0.04 0.00 -0.03 2.04 2.07 -1.98 -3.37 116.25 115.02 3r1r h VAL 161 Ca -0.01 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3r1r h VAL 161 Cb 1.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3r1r h VAL 161 CO 0.10 0.00 -0.21 0.71 0.02 0.00 0.00 177.57 178.19 3r1r h THR 162 N -0.38 1.17 0.00 2.57 1.35 -2.00 -3.46 112.91 112.15 3r1r h THR 162 Ca -0.02 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3r1r h THR 162 Cb 0.14 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3r1r h THR 162 CO 0.03 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3r1r n GLY 163 N -0.89 2.93 3.50 5.82 0.00 0.31 -5.04 105.19 111.82 3r1r n GLY 163 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.42 3r1r n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3r1r n GLU 164 N -0.34 0.07 -3.64 1.61 1.02 -1.23 -4.50 120.64 113.63 3r1r n GLU 164 Ca 0.00 0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.78 3r1r n GLU 164 Cb 0.00 -1.51 -0.11 0.00 -0.02 0.00 0.00 31.44 29.80 3r1r n GLU 164 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3r1r s ILE 165 N -0.02 4.91 -2.34 -3.67 -1.09 -1.26 0.26 121.20 117.99 3r1r s ILE 165 Ca 0.89 -0.08 0.26 0.00 -2.23 0.00 0.00 60.65 59.49 3r1r s ILE 165 Cb -1.24 -3.38 0.28 0.00 -1.58 0.00 0.00 42.46 36.54 3r1r s ILE 165 CO 0.56 0.21 1.45 -1.22 -1.23 0.00 0.00 174.94 174.71 3r1r n TYR 166 N 5.02 0.00 -3.78 3.97 4.01 0.04 -3.93 117.16 122.48 3r1r n TYR 166 Ca -0.14 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.52 3r1r n TYR 166 Cb 0.51 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 3r1r n TYR 166 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3r1r n GLU 167 N 0.21 0.47 -4.17 -0.72 0.28 -1.24 -4.98 120.64 110.49 3r1r n GLU 167 Ca 0.14 -1.60 -0.16 0.00 -0.16 0.00 0.00 57.16 55.38 3r1r n GLU 167 Cb 0.44 1.61 -0.11 0.00 1.43 0.00 0.00 31.44 34.81 3r1r n GLU 167 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3r1r s SER 168 N -2.28 1.53 0.18 -1.84 1.04 -1.26 -4.87 113.70 106.21 3r1r s SER 168 Ca 0.16 -0.73 -0.26 0.00 0.48 0.00 0.00 55.95 55.60 3r1r s SER 168 Cb -0.01 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.14 3r1r s SER 168 CO 0.11 -0.19 1.55 0.00 0.98 0.00 0.00 173.24 175.69 3r1r h ALA 169 N 3.85 -0.29 -0.87 5.32 0.00 -1.99 -0.37 119.26 124.90 3r1r h ALA 169 Ca -0.38 0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.83 3r1r h ALA 169 Cb 1.19 1.22 -0.09 0.00 0.00 0.00 0.00 17.79 20.12 3r1r h ALA 169 CO 0.48 -0.84 0.48 1.96 0.00 0.00 0.00 179.25 181.33 3r1r h GLN 170 N -0.02 0.72 -0.42 0.00 1.08 -1.93 0.93 115.11 115.46 3r1r h GLN 170 Ca 0.22 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3r1r h GLN 170 Cb 0.49 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3r1r h GLN 170 CO -0.94 0.47 0.26 0.74 -0.95 0.00 0.00 178.83 178.41 3r1r h PHE 171 N 0.74 0.56 -0.10 2.96 0.04 -1.52 -0.40 116.94 119.21 3r1r h PHE 171 Ca 0.45 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.26 3r1r h PHE 171 Cb 0.55 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 3r1r h PHE 171 CO -0.06 0.39 -0.33 1.25 -0.60 0.00 0.00 178.31 178.96 3r1r h LEU 172 N 0.56 -1.03 -0.38 1.54 6.46 -0.01 -0.54 115.31 121.91 3r1r h LEU 172 Ca 0.15 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 3r1r h LEU 172 Cb -0.00 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 3r1r h LEU 172 CO -0.03 -0.37 0.24 1.88 -0.62 0.00 0.00 178.44 179.54 3r1r h TYR 173 N -0.43 0.50 -0.43 1.25 0.05 -0.74 0.50 116.97 117.67 3r1r h TYR 173 Ca 0.09 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.88 3r1r h TYR 173 Cb 0.56 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 3r1r h TYR 173 CO -0.40 0.34 0.28 0.97 -1.05 0.00 0.00 178.16 178.30 3r1r h ILE 174 N 0.51 1.10 0.00 -2.88 6.09 -0.61 -1.11 117.51 120.60 3r1r h ILE 174 Ca 0.14 -0.20 -0.07 0.00 -1.37 0.00 0.00 64.86 63.36 3r1r h ILE 174 Cb -0.02 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 37.74 3r1r h ILE 174 CO -0.03 0.10 -0.34 -0.07 -3.07 0.00 0.00 178.15 174.75 3r1r h LEU 175 N 0.57 0.00 -0.34 2.19 3.38 -0.96 0.36 115.31 120.52 3r1r h LEU 175 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3r1r h LEU 175 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3r1r h LEU 175 CO -0.04 0.34 -0.03 0.58 0.09 0.00 0.00 178.44 179.37 3r1r h VAL 176 N 0.00 1.27 0.30 1.22 2.07 -0.38 0.55 116.25 121.28 3r1r h VAL 176 Ca -0.00 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 3r1r h VAL 176 Cb 0.90 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3r1r h VAL 176 CO 0.04 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.80 3r1r h ALA 177 N 0.83 -0.45 -0.44 1.67 0.00 -0.40 -1.13 119.26 119.35 3r1r h ALA 177 Ca 0.09 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3r1r h ALA 177 Cb 0.51 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 3r1r h ALA 177 CO 0.02 -0.76 -0.28 0.00 0.00 0.00 0.00 179.25 178.23 3r1r h ALA 178 N 0.23 -0.04 -0.27 0.00 0.00 -0.11 -0.66 119.26 118.41 3r1r h ALA 178 Ca -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3r1r h ALA 178 Cb 0.37 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3r1r h ALA 178 CO 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 179.25 178.68 3r1r h LEU 180 N 0.25 0.46 -3.49 0.00 3.38 -0.58 -2.77 115.31 112.55 3r1r h LEU 180 Ca 0.08 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3r1r h LEU 180 Cb 0.34 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 3r1r h LEU 180 CO 0.01 0.43 0.10 0.49 0.09 0.00 0.00 178.44 179.56 3r1r n PHE 181 N -4.38 1.56 0.26 1.13 3.72 -0.31 -4.68 117.46 114.77 3r1r n PHE 181 Ca 0.02 -1.48 0.15 0.00 -0.05 0.00 0.00 57.45 56.09 3r1r n PHE 181 Cb 0.15 -0.56 0.65 0.00 -0.94 0.00 0.00 39.48 38.77 3r1r n PHE 181 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3r1r h SER 182 N 1.30 0.00 -0.52 4.37 4.64 -1.03 -2.55 113.55 119.76 3r1r h SER 182 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3r1r h SER 182 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 3r1r h SER 182 CO 0.53 0.07 0.00 0.59 -0.87 0.00 0.00 176.83 177.14 3r1r n ASN 183 N -3.21 2.80 -4.79 4.97 3.02 -1.26 -4.93 115.26 111.87 3r1r n ASN 183 Ca 0.00 -2.01 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 3r1r n ASN 183 Cb 0.33 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 3r1r n ASN 183 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3r1r s TYR 184 N -1.32 3.14 0.54 3.10 1.51 -0.96 -4.99 117.35 118.37 3r1r s TYR 184 Ca 0.35 1.61 -0.21 0.00 -1.01 0.00 0.00 57.07 57.81 3r1r s TYR 184 Cb 0.18 -3.10 -0.06 0.00 -0.11 0.00 0.00 41.96 38.87 3r1r s TYR 184 CO 0.23 -0.73 1.20 -0.35 -1.11 0.00 0.00 175.55 174.79 3r1r n PRO 185 N -0.49 1.41 0.22 -1.71 -0.04 -1.26 -4.62 135.00 128.51 3r1r n PRO 185 Ca 0.07 0.52 0.15 0.00 -0.04 0.00 0.00 63.50 64.21 3r1r n PRO 185 Cb 0.51 -2.38 0.72 0.00 -0.04 0.00 0.00 33.50 32.31 3r1r n PRO 185 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3r1r h ARG 186 N 1.18 0.00 0.00 0.54 3.08 -1.98 -1.24 114.38 115.97 3r1r h ARG 186 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 3r1r h ARG 186 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3r1r h ARG 186 CO 0.55 0.00 -0.15 1.05 -1.07 0.00 0.00 179.97 180.35 3r1r h GLU 187 N 0.00 0.00 0.00 0.04 9.09 -2.04 -3.34 114.58 118.33 3r1r h GLU 187 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3r1r h GLU 187 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3r1r h GLU 187 CO 0.00 0.15 -0.21 0.25 0.05 0.00 0.00 179.01 179.24 3r1r n THR 188 N -3.38 0.00 -0.00 -1.06 -2.24 -0.82 -4.90 114.28 101.89 3r1r n THR 188 Ca -0.00 -0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3r1r n THR 188 Cb 0.35 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3r1r n THR 188 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3r1r h ARG 189 N 0.00 -0.00 -0.19 -0.78 2.43 -1.38 -1.98 114.38 112.49 3r1r h ARG 189 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3r1r h ARG 189 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3r1r h ARG 189 CO 0.00 -0.00 0.15 -0.07 -1.51 0.00 0.00 179.97 178.54 3r1r h LEU 190 N -0.00 0.00 0.14 3.80 3.38 -1.87 -0.42 115.31 120.34 3r1r h LEU 190 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3r1r h LEU 190 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3r1r h LEU 190 CO -0.01 0.00 -0.07 -0.61 0.09 0.00 0.00 178.44 177.85 3r1r h GLN 191 N 0.00 -0.18 0.03 1.13 4.15 -1.76 0.39 115.11 118.87 3r1r h GLN 191 Ca 0.09 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.54 3r1r h GLN 191 Cb 0.38 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3r1r h GLN 191 CO -0.00 -0.05 -0.13 1.88 -1.93 0.00 0.00 178.83 178.60 3r1r h TYR 192 N -0.26 -0.34 -0.31 3.99 0.05 -0.59 0.10 116.97 119.61 3r1r h TYR 192 Ca -0.02 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.84 3r1r h TYR 192 Cb 0.21 0.15 -0.08 0.00 1.01 0.00 0.00 36.73 38.02 3r1r h TYR 192 CO -0.04 -0.20 -0.27 0.28 -1.05 0.00 0.00 178.16 176.88 3r1r h VAL 193 N -0.23 0.33 -0.10 -2.88 2.07 -1.00 0.16 116.25 114.59 3r1r h VAL 193 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3r1r h VAL 193 Cb 0.28 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3r1r h VAL 193 CO -0.11 0.00 0.03 0.50 0.02 0.00 0.00 177.57 178.01 3r1r h LYS 194 N -0.24 0.08 -0.08 1.57 3.64 -0.54 -0.34 116.57 120.65 3r1r h LYS 194 Ca 0.16 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3r1r h LYS 194 Cb 0.49 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3r1r h LYS 194 CO -0.45 0.05 -0.06 0.00 -2.27 0.00 0.00 179.45 176.72 3r1r h ARG 195 N 0.08 -0.06 -0.75 1.90 3.08 0.01 -1.69 114.38 116.94 3r1r h ARG 195 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3r1r h ARG 195 Cb 0.03 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3r1r h ARG 195 CO -0.05 -0.04 0.45 0.35 -1.07 0.00 0.00 179.97 179.61 3r1r h PHE 196 N -0.06 1.00 -0.08 3.04 3.57 -0.63 -0.22 116.94 123.56 3r1r h PHE 196 Ca 0.05 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3r1r h PHE 196 Cb 0.14 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 3r1r h PHE 196 CO -0.17 0.68 -0.15 -0.92 -2.23 0.00 0.00 178.31 175.52 3r1r h TYR 197 N 1.03 -0.38 -0.53 0.41 3.20 -0.67 0.27 116.97 120.29 3r1r h TYR 197 Ca 0.27 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3r1r h TYR 197 Cb -0.03 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3r1r h TYR 197 CO -0.01 -0.22 0.28 -0.44 -1.64 0.00 0.00 178.16 176.14 3r1r h ASP 198 N -0.21 0.42 -0.07 -2.11 3.32 -1.03 0.36 116.42 117.11 3r1r h ASP 198 Ca 0.08 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3r1r h ASP 198 Cb 0.31 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3r1r h ASP 198 CO -0.20 0.29 -0.25 0.00 -1.72 0.00 0.00 179.24 177.36 3r1r h ALA 199 N 1.27 -0.28 -0.07 3.45 0.00 -0.19 -1.00 119.26 122.44 3r1r h ALA 199 Ca 0.23 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 3r1r h ALA 199 Cb 0.11 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3r1r h ALA 199 CO -0.15 -0.73 -0.65 -0.39 0.00 0.00 0.00 179.25 177.33 3r1r h VAL 200 N -0.35 1.35 0.00 0.00 -1.51 -0.72 -0.52 116.25 114.51 3r1r h VAL 200 Ca 0.08 -1.97 0.00 0.00 -1.23 0.00 0.00 66.70 63.58 3r1r h VAL 200 Cb 0.47 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3r1r h VAL 200 CO -0.27 0.60 0.00 0.77 -1.23 0.00 0.00 177.57 177.44 3r1r h SER 201 N 0.17 0.00 -0.66 4.19 4.64 -0.14 -0.25 113.55 121.50 3r1r h SER 201 Ca -0.06 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.96 3r1r h SER 201 Cb 1.31 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.23 3r1r h SER 201 CO 0.13 0.00 0.27 0.35 -0.87 0.00 0.00 176.83 176.71 3r1r n THR 202 N -3.02 2.85 -2.86 2.95 -2.24 -0.39 -4.95 114.28 106.63 3r1r n THR 202 Ca -0.01 -2.14 -0.16 0.00 -2.27 0.00 0.00 64.05 59.47 3r1r n THR 202 Cb 0.20 -0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3r1r n THR 202 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3r1r n PHE 203 N -0.87 -1.64 0.09 4.78 3.72 -0.10 -4.84 117.46 118.59 3r1r n PHE 203 Ca 0.44 0.21 -0.13 0.00 -0.05 0.00 0.00 57.45 57.92 3r1r n PHE 203 Cb 1.33 -2.70 -0.11 0.00 -0.94 0.00 0.00 39.48 37.06 3r1r n PHE 203 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3r1r h LYS 204 N -0.44 0.21 -5.10 -1.08 6.56 -1.28 -3.41 116.57 112.02 3r1r h LYS 204 Ca -0.33 -0.32 -0.58 0.00 -1.06 0.00 0.00 60.65 58.35 3r1r h LYS 204 Cb 1.23 0.12 -0.32 0.00 -0.57 0.00 0.00 32.23 32.68 3r1r h LYS 204 CO 0.40 1.13 -0.84 0.42 -2.06 0.00 0.00 179.45 178.49 3r1r s ILE 205 N -2.78 1.53 -0.02 1.86 1.01 -1.22 -1.25 121.20 120.33 3r1r s ILE 205 Ca -0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 3r1r s ILE 205 Cb 0.08 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3r1r s ILE 205 CO 0.86 0.44 0.09 -0.44 0.00 0.00 0.00 174.94 175.89 3r1r s SER 206 N 0.31 5.76 0.03 3.58 0.01 0.16 -4.52 113.70 119.03 3r1r s SER 206 Ca -0.11 0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.39 3r1r s SER 206 Cb -0.15 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 3r1r s SER 206 CO 0.05 0.29 -0.16 -0.76 0.41 0.00 0.00 173.24 173.07 3r1r s LEU 207 N -1.61 2.13 0.71 2.44 1.43 -1.26 -1.75 118.68 120.77 3r1r s LEU 207 Ca 0.22 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 3r1r s LEU 207 Cb -0.12 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.34 3r1r s LEU 207 CO 0.12 0.12 1.08 -2.65 0.23 0.00 0.00 176.35 175.25 3r1r n PRO 208 N 2.12 0.62 -0.16 1.29 -0.02 -1.26 -4.66 135.00 132.94 3r1r n PRO 208 Ca -0.17 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 3r1r n PRO 208 Cb 0.54 -2.33 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3r1r n PRO 208 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3r1r h THR 209 N -0.14 0.59 -0.22 3.45 2.02 -1.97 -0.56 112.91 116.08 3r1r h THR 209 Ca -0.48 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 66.73 3r1r h THR 209 Cb 1.33 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3r1r h THR 209 CO 0.48 0.02 -0.21 -0.65 0.37 0.00 0.00 175.52 175.53 3r1r h PRO 210 N 0.09 -0.21 0.41 6.66 0.11 -1.92 0.15 132.00 137.29 3r1r h PRO 210 Ca 0.25 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 3r1r h PRO 210 Cb 0.38 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3r1r h PRO 210 CO -0.43 -0.14 -0.27 0.82 -0.21 0.00 0.00 178.00 177.77 3r1r h ILE 211 N -0.22 0.45 -0.66 4.15 2.04 -1.40 -0.70 117.51 121.16 3r1r h ILE 211 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 3r1r h ILE 211 Cb 0.41 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3r1r h ILE 211 CO -0.35 0.00 0.44 0.24 0.00 0.00 0.00 178.15 178.48 3r1r h MET 212 N -0.66 0.64 0.00 2.37 2.86 -0.59 -0.35 114.93 119.21 3r1r h MET 212 Ca -0.04 -0.04 -0.26 0.00 -2.06 0.00 0.00 59.70 57.30 3r1r h MET 212 Cb 0.54 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3r1r h MET 212 CO 0.04 0.43 -1.40 0.66 1.06 0.00 0.00 176.91 177.69 3r1r h SER 213 N 0.66 0.01 0.00 1.22 4.64 -0.56 -3.43 113.55 116.09 3r1r h SER 213 Ca 0.29 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.32 3r1r h SER 213 Cb 0.28 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 3r1r h SER 213 CO -0.09 1.01 -2.01 0.61 -0.87 0.00 0.00 176.83 175.49 3r1r n GLY 214 N 1.47 -0.53 3.59 -0.77 0.00 -0.28 -4.82 105.19 103.86 3r1r n GLY 214 Ca -0.10 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3r1r n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3r1r s VAL 215 N -2.35 3.12 0.00 1.61 1.01 -0.17 -0.37 120.40 123.25 3r1r s VAL 215 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3r1r s VAL 215 Cb 0.05 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3r1r s VAL 215 CO 0.52 -0.12 0.00 -2.11 0.00 0.00 0.00 175.10 173.39 3r1r n ARG 216 N 8.73 0.00 -2.72 2.72 1.85 -1.26 -4.39 116.66 121.58 3r1r n ARG 216 Ca 0.29 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.91 3r1r n ARG 216 Cb 0.47 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.90 3r1r n ARG 216 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3r1r s THR 217 N -0.35 3.34 0.27 8.89 -4.23 0.50 0.34 115.64 124.40 3r1r s THR 217 Ca 0.00 -0.48 0.33 0.00 -1.18 0.00 0.00 61.69 60.36 3r1r s THR 217 Cb 0.00 -3.26 0.33 0.00 1.34 0.00 0.00 72.50 70.90 3r1r s THR 217 CO 0.00 -0.20 1.99 -0.65 -0.54 0.00 0.00 174.62 175.22 3r1r h PRO 218 N 0.13 0.00 -7.21 3.99 0.11 -1.78 -3.38 132.00 123.86 3r1r h PRO 218 Ca -0.44 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.25 3r1r h PRO 218 Cb 1.27 0.00 0.20 0.00 0.11 0.00 0.00 31.00 32.58 3r1r h PRO 218 CO 0.56 0.00 0.02 -0.08 -0.21 0.00 0.00 178.00 178.29 3r1r s THR 219 N -3.85 1.60 0.00 -1.15 -1.32 -1.26 -4.98 115.64 104.68 3r1r s THR 219 Ca -0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 3r1r s THR 219 Cb 0.09 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 3r1r s THR 219 CO 0.30 0.00 0.16 0.54 -2.21 0.00 0.00 174.62 173.41 3r1r n ARG 220 N -5.05 0.00 -3.16 7.08 5.12 -1.26 -4.92 116.66 114.46 3r1r n ARG 220 Ca 0.09 -0.16 -0.41 0.00 -1.93 0.00 0.00 57.85 55.44 3r1r n ARG 220 Cb 0.58 -0.28 -0.07 0.00 -1.16 0.00 0.00 32.46 31.54 3r1r n ARG 220 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3r1r s GLN 221 N 0.00 3.69 0.00 5.56 -0.21 -1.26 -1.47 119.66 125.96 3r1r s GLN 221 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.39 3r1r s GLN 221 Cb 0.00 -3.80 0.00 0.00 1.00 0.00 0.00 33.01 30.21 3r1r s GLN 221 CO 0.00 -0.68 0.04 1.19 -2.12 0.00 0.00 175.29 173.72 3r1r n PHE 222 N 5.92 0.00 -2.35 0.91 3.72 -1.26 -4.94 117.46 119.46 3r1r n PHE 222 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3r1r n PHE 222 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3r1r n PHE 222 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3r1r s SER 223 N -0.07 6.98 0.06 4.37 0.01 -1.26 -4.55 113.70 119.24 3r1r s SER 223 Ca 0.00 2.02 0.20 0.00 1.31 0.00 0.00 55.95 59.48 3r1r s SER 223 Cb 0.00 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.51 3r1r s SER 223 CO 0.00 -0.58 0.74 -1.20 0.41 0.00 0.00 173.24 172.61 3r1r n SER 224 N 4.63 0.58 -3.70 2.44 7.64 -1.26 -4.62 113.62 119.32 3r1r n SER 224 Ca 0.11 0.24 -0.14 0.00 1.01 0.00 0.00 58.87 60.09 3r1r n SER 224 Cb 0.45 0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 64.31 3r1r n SER 224 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3r1r s VAL 226 N -0.47 2.11 -0.26 0.00 1.01 -0.48 -1.42 120.40 120.88 3r1r s VAL 226 Ca -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.09 3r1r s VAL 226 Cb -0.03 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.49 3r1r s VAL 226 CO 0.03 -0.07 0.01 -0.76 0.00 0.00 0.00 175.10 174.31 3r1r s LEU 227 N -2.33 2.52 -0.12 3.92 1.02 0.00 -1.45 118.68 122.24 3r1r s LEU 227 Ca 0.15 -1.36 -0.03 0.00 0.02 0.00 0.00 54.13 52.91 3r1r s LEU 227 Cb -0.09 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 45.04 3r1r s LEU 227 CO 0.07 -0.31 0.00 -0.63 0.02 0.00 0.00 176.35 175.50 3r1r s ILE 228 N 1.47 4.30 -0.13 -0.59 1.01 -0.18 -2.17 121.20 124.91 3r1r s ILE 228 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 3r1r s ILE 228 Cb -0.18 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 3r1r s ILE 228 CO -0.12 0.55 0.02 -0.70 0.00 0.00 0.00 174.94 174.69 3r1r s GLU 229 N -0.36 3.43 -0.22 2.79 2.12 -1.26 -1.27 118.70 123.92 3r1r s GLU 229 Ca 0.07 -0.40 -0.06 0.00 0.36 0.00 0.00 54.97 54.94 3r1r s GLU 229 Cb -0.12 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3r1r s GLU 229 CO 0.02 0.49 0.04 0.00 -0.54 0.00 0.00 175.26 175.27 3r1r s GLY 231 N 1.23 1.65 -1.38 0.00 0.00 -1.26 -4.53 107.32 103.03 3r1r s GLY 231 Ca 0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.54 3r1r s GLY 231 CO 0.02 0.28 2.01 1.34 0.00 0.00 0.00 173.10 176.75 3r1r n ASP 232 N -3.19 4.37 -3.61 1.64 2.03 -1.26 -4.28 116.55 112.26 3r1r n ASP 232 Ca 0.07 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.36 3r1r n ASP 232 Cb 0.55 -1.66 -0.07 0.00 -0.72 0.00 0.00 41.12 39.22 3r1r n ASP 232 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3r1r s SER 233 N 3.22 -0.57 0.27 1.67 1.04 -1.26 -4.94 113.70 113.13 3r1r s SER 233 Ca 0.48 0.96 0.01 0.00 0.48 0.00 0.00 55.95 57.88 3r1r s SER 233 Cb 0.10 0.92 0.60 0.00 0.10 0.00 0.00 66.02 67.74 3r1r s SER 233 CO -0.03 -0.29 1.76 -0.07 0.98 0.00 0.00 173.24 175.59 3r1r h LEU 234 N 3.99 0.58 -0.16 2.42 3.38 -1.98 0.55 115.31 124.09 3r1r h LEU 234 Ca -0.27 0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3r1r h LEU 234 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3r1r h LEU 234 CO 0.17 0.22 0.06 0.44 0.09 0.00 0.00 178.44 179.42 3r1r h ASP 235 N 0.64 0.08 -0.54 -0.43 3.32 -1.95 0.34 116.42 117.89 3r1r h ASP 235 Ca 0.50 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.47 3r1r h ASP 235 Cb 0.74 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3r1r h ASP 235 CO -0.38 0.07 -0.04 -1.28 -1.72 0.00 0.00 179.24 175.89 3r1r h SER 236 N 0.14 0.96 -0.19 6.45 0.87 -1.15 0.25 113.55 120.88 3r1r h SER 236 Ca 0.07 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.33 3r1r h SER 236 Cb 0.03 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3r1r h SER 236 CO -0.07 1.06 0.05 0.40 -0.53 0.00 0.00 176.83 177.74 3r1r h ILE 237 N 0.85 0.93 -0.03 2.23 2.04 0.20 0.43 117.51 124.15 3r1r h ILE 237 Ca 0.15 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3r1r h ILE 237 Cb 0.59 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3r1r h ILE 237 CO 0.04 0.02 0.02 0.78 0.00 0.00 0.00 178.15 179.01 3r1r h ASN 238 N 0.13 0.03 -0.19 1.72 2.35 0.02 -0.56 115.58 119.09 3r1r h ASN 238 Ca 0.09 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3r1r h ASN 238 Cb 0.07 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 3r1r h ASN 238 CO -0.11 0.03 -0.20 0.00 -1.65 0.00 0.00 177.43 175.51 3r1r h ALA 239 N 1.00 -0.10 -0.10 -0.83 0.00 -0.10 0.13 119.26 119.26 3r1r h ALA 239 Ca 0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3r1r h ALA 239 Cb 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3r1r h ALA 239 CO -0.00 -0.64 -0.37 1.15 0.00 0.00 0.00 179.25 179.40 3r1r h THR 240 N -0.22 0.22 -0.36 0.00 2.02 0.09 0.84 112.91 115.50 3r1r h THR 240 Ca 0.12 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.37 3r1r h THR 240 Cb 0.40 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 3r1r h THR 240 CO -0.32 0.00 -0.11 -1.28 0.37 0.00 0.00 175.52 174.18 3r1r h SER 241 N -0.46 -0.41 -0.65 4.18 0.87 -0.47 -0.27 113.55 116.33 3r1r h SER 241 Ca 0.08 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3r1r h SER 241 Cb 0.59 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.75 3r1r h SER 241 CO -0.36 -0.15 0.37 0.28 -0.53 0.00 0.00 176.83 176.44 3r1r h SER 242 N -0.03 0.55 0.05 6.23 0.02 0.30 -1.26 113.55 119.41 3r1r h SER 242 Ca 0.18 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3r1r h SER 242 Cb 0.30 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3r1r h SER 242 CO -0.39 0.36 -0.18 0.00 -1.14 0.00 0.00 176.83 175.48 3r1r h ALA 243 N 1.33 -0.26 -0.52 3.77 0.00 0.47 -2.28 119.26 121.78 3r1r h ALA 243 Ca 0.29 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.29 3r1r h ALA 243 Cb 0.16 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 3r1r h ALA 243 CO -0.17 -0.69 -0.02 0.82 0.00 0.00 0.00 179.25 179.19 3r1r h ILE 244 N -0.32 0.57 -0.53 0.00 2.04 0.02 -0.90 117.51 118.39 3r1r h ILE 244 Ca 0.04 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.93 3r1r h ILE 244 Cb 0.36 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3r1r h ILE 244 CO -0.13 0.02 0.25 0.58 0.00 0.00 0.00 178.15 178.86 3r1r h VAL 245 N 0.09 0.91 -0.66 1.67 2.07 -1.00 0.15 116.25 119.47 3r1r h VAL 245 Ca 0.26 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3r1r h VAL 245 Cb 0.40 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3r1r h VAL 245 CO -0.45 0.09 0.31 0.11 0.02 0.00 0.00 177.57 177.64 3r1r h LYS 246 N 0.47 0.96 0.02 1.57 1.79 -0.65 -2.48 116.57 118.25 3r1r h LYS 246 Ca 0.25 -0.15 -0.21 0.00 -2.18 0.00 0.00 60.65 58.36 3r1r h LYS 246 Cb 0.20 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 3r1r h LYS 246 CO -0.20 0.77 -0.93 1.88 -1.08 0.00 0.00 179.45 179.89 3r1r h TYR 247 N 0.92 0.31 0.00 -1.35 0.05 -0.53 -3.11 116.97 113.25 3r1r h TYR 247 Ca 0.23 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 3r1r h TYR 247 Cb 0.13 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3r1r h TYR 247 CO 0.00 1.02 -0.30 -0.39 -1.05 0.00 0.00 178.16 177.45 3r1r h VAL 248 N 0.10 0.57 0.00 -2.88 -1.51 -0.74 -2.40 116.25 109.39 3r1r h VAL 248 Ca -0.05 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 3r1r h VAL 248 Cb 1.59 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.84 3r1r h VAL 248 CO 0.14 0.29 0.00 0.77 -1.23 0.00 0.00 177.57 177.55 3r1r h SER 249 N 0.00 0.00 -0.74 4.19 4.64 -1.37 0.16 113.55 120.43 3r1r h SER 249 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3r1r h SER 249 Cb 1.06 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.81 3r1r h SER 249 CO 0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.65 3r1r n GLN 250 N -2.54 3.14 -4.25 4.77 6.02 -0.98 -4.98 117.38 118.57 3r1r n GLN 250 Ca 0.00 -3.84 -0.33 0.00 -0.01 0.00 0.00 57.00 52.82 3r1r n GLN 250 Cb 0.17 -2.21 -0.06 0.00 1.02 0.00 0.00 30.24 29.16 3r1r n GLN 250 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3r1r n ARG 251 N -0.82 -2.12 -4.23 -1.09 1.74 0.55 -4.94 116.66 105.76 3r1r n ARG 251 Ca 0.46 0.26 -0.33 0.00 -0.77 0.00 0.00 57.85 57.47 3r1r n ARG 251 Cb 0.90 -4.47 -0.08 0.00 -1.02 0.00 0.00 32.46 27.79 3r1r n ARG 251 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3r1r s ALA 252 N -3.75 3.39 0.24 7.54 0.00 -0.94 -4.89 121.76 123.35 3r1r s ALA 252 Ca 0.37 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3r1r s ALA 252 Cb -0.21 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 3r1r s ALA 252 CO 0.96 0.65 1.24 0.20 0.00 0.00 0.00 175.76 178.81 3r1r s GLY 253 N -1.52 2.76 -0.09 0.00 0.00 0.13 -4.44 107.32 104.15 3r1r s GLY 253 Ca 0.20 1.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.98 3r1r s GLY 253 CO 0.10 1.87 -0.04 -0.42 0.00 0.00 0.00 173.10 174.62 3r1r s ILE 254 N -0.48 3.95 -0.21 0.90 -1.09 -0.13 -1.39 121.20 122.76 3r1r s ILE 254 Ca 0.51 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 3r1r s ILE 254 Cb -0.36 -2.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.93 3r1r s ILE 254 CO 0.42 0.58 -0.05 -0.83 -1.23 0.00 0.00 174.94 173.83 3r1r s GLY 255 N -0.64 1.14 -0.11 6.18 0.00 -0.53 -1.66 107.32 111.72 3r1r s GLY 255 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3r1r s GLY 255 CO 0.02 0.96 -0.11 -0.42 0.00 0.00 0.00 173.10 173.55 3r1r s ILE 256 N 1.50 3.30 -0.40 0.90 1.01 -0.26 -1.01 121.20 126.23 3r1r s ILE 256 Ca -0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 3r1r s ILE 256 Cb -0.18 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 39.98 3r1r s ILE 256 CO -0.07 0.55 0.24 0.21 0.00 0.00 0.00 174.94 175.87 3r1r s ASN 257 N -0.08 5.70 -0.23 3.58 2.47 -0.39 -0.96 114.94 125.02 3r1r s ASN 257 Ca -0.01 -1.26 0.13 0.00 0.42 0.00 0.00 52.86 52.15 3r1r s ASN 257 Cb -0.14 -2.01 0.52 0.00 -1.45 0.00 0.00 41.25 38.17 3r1r s ASN 257 CO 0.03 -0.47 1.45 0.00 -3.72 0.00 0.00 177.10 174.39 3r1r n ALA 258 N 4.97 3.56 0.24 1.71 0.00 -1.09 -0.82 120.51 129.07 3r1r n ALA 258 Ca -0.11 -2.66 0.08 0.00 0.00 0.00 0.00 53.44 50.75 3r1r n ALA 258 Cb 0.44 -0.74 0.61 0.00 0.00 0.00 0.00 19.45 19.77 3r1r n ALA 258 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3r1r h GLY 259 N 1.41 0.05 0.72 0.00 0.00 -1.83 -2.78 103.07 100.64 3r1r h GLY 259 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3r1r h GLY 259 CO 0.31 0.02 -0.25 0.54 0.00 0.00 0.00 176.54 177.16 3r1r n ARG 260 N -4.52 0.56 -1.64 4.80 1.74 -1.26 -4.77 116.66 111.56 3r1r n ARG 260 Ca -0.02 -0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.35 3r1r n ARG 260 Cb 0.09 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3r1r n ARG 260 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3r1r n ILE 261 N -0.98 0.61 -0.95 0.55 5.41 -1.05 -4.53 119.36 118.41 3r1r n ILE 261 Ca 0.11 -0.24 -0.33 0.00 1.00 0.00 0.00 62.75 63.29 3r1r n ILE 261 Cb 0.32 -2.33 0.12 0.00 -0.71 0.00 0.00 39.64 37.05 3r1r n ILE 261 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3r1r n ARG 262 N 7.84 -0.08 -1.71 0.38 1.85 -1.26 -4.83 116.66 118.84 3r1r n ARG 262 Ca 0.24 0.04 -0.31 0.00 -1.00 0.00 0.00 57.85 56.82 3r1r n ARG 262 Cb 0.40 -2.12 0.05 0.00 -1.05 0.00 0.00 32.46 29.74 3r1r n ARG 262 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3r1r s ALA 263 N -2.27 2.72 0.26 2.89 0.00 -1.26 -4.32 121.76 119.78 3r1r s ALA 263 Ca 0.65 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 3r1r s ALA 263 Cb -0.26 -3.10 -0.13 0.00 0.00 0.00 0.00 23.12 19.63 3r1r s ALA 263 CO 0.59 -1.21 1.44 -0.11 0.00 0.00 0.00 175.76 176.48 3r1r n LEU 264 N -3.09 3.44 0.00 0.00 7.94 -1.26 -2.24 117.00 121.79 3r1r n LEU 264 Ca 0.07 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3r1r n LEU 264 Cb 0.55 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.03 3r1r n LEU 264 CO 0.57 -0.34 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 3r1r n GLY 265 N 2.03 3.14 3.67 -3.96 0.00 -0.98 -4.92 105.19 104.17 3r1r n GLY 265 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3r1r n GLY 265 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3r1r n SER 266 N 0.13 2.16 -4.69 1.61 7.64 -0.95 -4.28 113.62 115.24 3r1r n SER 266 Ca 0.00 1.10 -0.39 0.00 1.01 0.00 0.00 58.87 60.60 3r1r n SER 266 Cb 0.00 -1.45 0.04 0.00 -1.01 0.00 0.00 64.21 61.80 3r1r n SER 266 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3r1r n PRO 267 N 0.15 1.38 -3.75 1.43 -0.04 -1.26 0.63 135.00 133.53 3r1r n PRO 267 Ca 0.07 0.51 -0.24 0.00 -0.04 0.00 0.00 63.50 63.81 3r1r n PRO 267 Cb 0.39 -2.39 -0.17 0.00 -0.04 0.00 0.00 33.50 31.28 3r1r n PRO 267 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3r1r s ILE 268 N -1.36 0.37 0.00 0.52 1.01 0.17 -4.64 121.20 117.27 3r1r s ILE 268 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3r1r s ILE 268 Cb -0.43 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.42 3r1r s ILE 268 CO 0.49 0.14 0.00 -1.14 0.00 0.00 0.00 174.94 174.43 3r1r n ARG 269 N 5.14 0.00 0.00 2.79 0.63 -1.26 -2.65 116.66 121.31 3r1r n ARG 269 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 3r1r n ARG 269 Cb 0.49 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.17 3r1r n ARG 269 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3r1r n GLY 270 N -2.00 0.88 0.00 5.14 0.00 -1.26 -4.73 105.19 103.21 3r1r n GLY 270 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3r1r n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3r1r n GLY 271 N 0.00 -0.91 0.16 -0.02 0.00 -1.26 -4.80 105.19 98.36 3r1r n GLY 271 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3r1r n GLY 271 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3r1r h GLU 272 N 0.00 0.00 -2.07 1.61 4.39 -1.85 -3.45 114.58 113.21 3r1r h GLU 272 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3r1r h GLU 272 Cb 0.96 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.39 3r1r h GLU 272 CO 0.00 0.51 0.07 0.00 -1.16 0.00 0.00 179.01 178.43 3r1r s ALA 273 N -3.62 -1.72 -0.06 3.43 0.00 -1.08 -5.06 121.76 113.65 3r1r s ALA 273 Ca -0.01 2.02 -0.06 0.00 0.00 0.00 0.00 51.96 53.92 3r1r s ALA 273 Cb 0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3r1r s ALA 273 CO 0.73 -0.33 0.18 -0.06 0.00 0.00 0.00 175.76 176.28 3r1r s PHE 274 N 0.60 3.58 0.73 0.00 0.40 -1.26 0.44 117.98 122.48 3r1r s PHE 274 Ca -0.02 0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 56.65 3r1r s PHE 274 Cb -0.05 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.58 3r1r s PHE 274 CO -0.03 0.68 1.08 1.58 0.70 0.00 0.00 175.22 179.24 3r1r n HIS 275 N 1.47 1.03 0.58 0.36 -0.00 0.20 -4.86 115.22 114.00 3r1r n HIS 275 Ca -0.15 0.40 0.11 0.00 0.46 0.00 0.00 57.72 58.54 3r1r n HIS 275 Cb 0.54 -2.12 -0.07 0.00 -0.12 0.00 0.00 29.99 28.22 3r1r n HIS 275 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 3r1r n THR 276 N -2.61 0.07 0.00 3.57 5.66 -1.26 -2.33 114.28 117.38 3r1r n THR 276 Ca 0.14 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3r1r n THR 276 Cb 0.49 0.42 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 3r1r n THR 276 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3r1r n GLY 277 N 1.39 1.63 0.11 1.09 0.00 -1.26 -4.82 105.19 103.32 3r1r n GLY 277 Ca 0.01 -2.19 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 3r1r n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3r1r h ILE 279 N 0.07 0.45 -0.92 0.00 2.04 -1.97 -0.03 117.51 117.16 3r1r h ILE 279 Ca -0.20 0.00 0.26 0.00 1.00 0.00 0.00 64.86 65.92 3r1r h ILE 279 Cb 2.00 0.45 -0.15 0.00 -0.74 0.00 0.00 36.82 38.38 3r1r h ILE 279 CO 0.18 0.00 0.30 -0.65 0.00 0.00 0.00 178.15 177.98 3r1r h PRO 280 N -0.28 0.21 -0.13 2.37 0.11 -1.88 0.28 132.00 132.67 3r1r h PRO 280 Ca 0.10 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.01 3r1r h PRO 280 Cb 0.43 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.50 3r1r h PRO 280 CO -0.30 0.14 -0.66 0.74 -0.21 0.00 0.00 178.00 177.71 3r1r h PHE 281 N 0.21 0.92 -0.61 0.65 0.04 -1.37 -2.61 116.94 114.17 3r1r h PHE 281 Ca 0.60 -0.41 0.07 0.00 2.80 0.00 0.00 57.97 61.04 3r1r h PHE 281 Cb 1.28 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 39.22 3r1r h PHE 281 CO -0.22 1.22 0.29 1.88 -0.60 0.00 0.00 178.31 180.88 3r1r h TYR 282 N 0.36 0.53 -0.82 -0.55 -1.99 0.12 0.38 116.97 115.00 3r1r h TYR 282 Ca -0.05 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.78 3r1r h TYR 282 Cb 1.30 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 39.83 3r1r h TYR 282 CO 0.10 0.21 0.54 0.87 -0.00 0.00 0.00 178.16 179.87 3r1r h LYS 283 N 0.53 0.87 -0.35 4.88 1.57 -0.72 0.11 116.57 123.47 3r1r h LYS 283 Ca 0.29 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.90 3r1r h LYS 283 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3r1r h LYS 283 CO -0.23 0.58 -0.25 1.25 -0.57 0.00 0.00 179.45 180.23 3r1r h HIS 284 N 0.90 0.92 -0.36 -1.35 2.76 -0.01 -1.76 115.15 116.25 3r1r h HIS 284 Ca 0.35 -0.25 -0.09 0.00 -2.20 0.00 0.00 60.37 58.19 3r1r h HIS 284 Cb 0.23 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 3r1r h HIS 284 CO -0.00 1.01 -0.14 0.74 -1.30 0.00 0.00 177.93 178.24 3r1r h PHE 285 N 0.56 0.70 -0.53 5.26 0.04 0.16 -1.68 116.94 121.46 3r1r h PHE 285 Ca 0.07 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.72 3r1r h PHE 285 Cb 0.81 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3r1r h PHE 285 CO 0.06 0.75 0.35 0.37 -0.60 0.00 0.00 178.31 179.24 3r1r h GLN 286 N 0.58 0.69 -0.26 1.51 4.15 -0.59 0.22 115.11 121.42 3r1r h GLN 286 Ca 0.10 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3r1r h GLN 286 Cb 0.57 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3r1r h GLN 286 CO 0.04 0.46 -0.20 1.79 -1.93 0.00 0.00 178.83 178.98 3r1r h THR 287 N 0.71 1.25 0.16 2.39 1.35 -1.08 -1.23 112.91 116.47 3r1r h THR 287 Ca 0.19 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3r1r h THR 287 Cb -0.08 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3r1r h THR 287 CO -0.04 0.37 -0.12 0.00 -0.25 0.00 0.00 175.52 175.48 3r1r h ALA 288 N 1.36 -0.26 -0.83 6.62 0.00 -0.56 0.27 119.26 125.85 3r1r h ALA 288 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3r1r h ALA 288 Cb 0.60 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3r1r h ALA 288 CO 0.04 -0.66 0.46 0.28 0.00 0.00 0.00 179.25 179.37 3r1r h VAL 289 N -0.29 0.85 -0.52 0.00 2.07 -0.12 -1.64 116.25 116.61 3r1r h VAL 289 Ca -0.01 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3r1r h VAL 289 Cb 0.25 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3r1r h VAL 289 CO -0.01 0.13 0.00 0.29 0.02 0.00 0.00 177.57 178.01 3r1r n LYS 290 N -4.78 2.29 0.16 1.57 4.01 -0.51 -4.54 118.16 116.36 3r1r n LYS 290 Ca 0.14 -2.00 0.19 0.00 -0.51 0.00 0.00 58.31 56.14 3r1r n LYS 290 Cb 0.32 -1.45 0.77 0.00 -0.51 0.00 0.00 35.03 34.17 3r1r n LYS 290 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3r1r h SER 291 N 3.37 0.00 -1.49 4.39 4.64 0.08 -2.27 113.55 122.27 3r1r h SER 291 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3r1r h SER 291 Cb 0.76 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.44 3r1r h SER 291 CO 0.00 0.00 -0.79 0.00 -0.87 0.00 0.00 176.83 175.17 3r1r s SER 293 N -3.48 1.63 -0.28 0.00 0.01 -0.85 -4.91 113.70 105.81 3r1r s SER 293 Ca 0.45 -0.28 -0.35 0.00 1.31 0.00 0.00 55.95 57.09 3r1r s SER 293 Cb 0.40 -0.17 -0.11 0.00 0.21 0.00 0.00 66.02 66.35 3r1r s SER 293 CO -0.16 0.15 2.08 0.00 0.41 0.00 0.00 173.24 175.73 3r1r n GLN 294 N 2.64 1.35 0.00 12.44 1.13 -1.26 -3.08 117.38 130.60 3r1r n GLN 294 Ca -0.15 0.42 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 3r1r n GLN 294 Cb 0.55 -2.51 0.00 0.00 0.11 0.00 0.00 30.24 28.39 3r1r n GLN 294 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3r1r n GLY 295 N 5.82 1.74 0.00 1.08 0.00 -1.26 -2.23 105.19 110.34 3r1r n GLY 295 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3r1r n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3r1r n GLY 296 N 0.00 0.00 0.64 -0.02 0.00 -1.18 -5.08 105.19 99.56 3r1r n GLY 296 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3r1r n GLY 296 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3r1r n VAL 297 N 0.00 0.00 -1.46 1.61 0.31 -0.95 -4.98 118.33 112.86 3r1r n VAL 297 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 3r1r n VAL 297 Cb 0.00 -0.58 -0.18 0.00 -0.91 0.00 0.00 33.84 32.16 3r1r n VAL 297 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3r1r n ARG 298 N -1.78 0.08 0.00 5.55 5.12 -1.24 -4.71 116.66 119.68 3r1r n ARG 298 Ca 0.00 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 3r1r n ARG 298 Cb 0.00 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 3r1r n ARG 298 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3r1r n GLY 299 N 5.59 -3.15 1.67 -0.13 0.00 -1.26 -4.11 105.19 103.79 3r1r n GLY 299 Ca 0.57 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 3r1r n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3r1r n GLY 300 N -0.35 -3.23 3.43 -0.02 0.00 -1.26 -4.82 105.19 98.94 3r1r n GLY 300 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3r1r n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3r1r s ALA 301 N -0.13 2.52 0.06 4.61 0.00 -1.26 -4.74 121.76 122.82 3r1r s ALA 301 Ca -0.03 -1.45 -0.18 0.00 0.00 0.00 0.00 51.96 50.30 3r1r s ALA 301 Cb 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.68 3r1r s ALA 301 CO 0.12 0.54 0.42 0.00 0.00 0.00 0.00 175.76 176.84 3r1r s ALA 302 N -1.18 -1.03 -0.10 0.00 0.00 -1.25 -0.95 121.76 117.25 3r1r s ALA 302 Ca 0.16 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 3r1r s ALA 302 Cb -0.10 0.43 0.04 0.00 0.00 0.00 0.00 23.12 23.49 3r1r s ALA 302 CO 0.08 -0.51 0.03 0.99 0.00 0.00 0.00 175.76 176.35 3r1r s THR 303 N -2.78 0.26 -0.01 0.00 2.01 -0.66 -1.80 115.64 112.65 3r1r s THR 303 Ca -0.03 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3r1r s THR 303 Cb -0.00 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 3r1r s THR 303 CO -0.05 0.11 0.32 -0.22 -0.69 0.00 0.00 174.62 174.09 3r1r s LEU 304 N 2.01 4.41 0.03 4.42 0.20 -0.30 -1.11 118.68 128.33 3r1r s LEU 304 Ca 0.04 0.73 0.08 0.00 0.69 0.00 0.00 54.13 55.67 3r1r s LEU 304 Cb -0.13 -2.57 -0.03 0.00 -0.43 0.00 0.00 46.19 43.03 3r1r s LEU 304 CO -0.06 0.30 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.71 3r1r s PHE 305 N -1.18 2.43 0.03 5.38 0.40 -0.14 0.30 117.98 125.19 3r1r s PHE 305 Ca 0.24 -0.35 -0.19 0.00 -0.60 0.00 0.00 56.93 56.04 3r1r s PHE 305 Cb -0.14 -1.45 0.04 0.00 0.51 0.00 0.00 43.02 41.97 3r1r s PHE 305 CO 0.13 0.14 0.42 1.52 0.70 0.00 0.00 175.22 178.13 3r1r s TYR 306 N -0.81 -0.29 0.58 0.36 -0.85 -0.97 -2.68 117.35 112.70 3r1r s TYR 306 Ca 0.12 0.31 -0.18 0.00 -0.52 0.00 0.00 57.07 56.80 3r1r s TYR 306 Cb -0.10 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 3r1r s TYR 306 CO 0.02 -0.55 1.15 -1.25 -1.52 0.00 0.00 175.55 173.41 3r1r s PRO 307 N -2.21 3.10 0.38 -3.49 0.04 -1.26 -1.01 135.00 130.55 3r1r s PRO 307 Ca -0.07 1.65 0.15 0.00 0.04 0.00 0.00 61.00 62.77 3r1r s PRO 307 Cb -0.01 -1.97 0.78 0.00 0.04 0.00 0.00 34.50 33.34 3r1r s PRO 307 CO -0.00 -1.06 1.84 1.98 0.04 0.00 0.00 177.00 179.79 3r1r h MET 308 N 0.86 0.00 -0.06 4.56 4.05 -1.69 -2.95 114.93 119.70 3r1r h MET 308 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3r1r h MET 308 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3r1r h MET 308 CO 0.56 0.35 0.00 -2.67 0.23 0.00 0.00 176.91 175.38 3r1r n TRP 309 N -3.99 0.06 -1.61 1.39 4.27 -1.26 -4.77 117.44 111.53 3r1r n TRP 309 Ca -0.02 -0.03 -0.42 0.00 -3.89 0.00 0.00 57.50 53.14 3r1r n TRP 309 Cb 0.40 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.36 3r1r n TRP 309 CO 0.00 0.00 0.00 1.58 -2.29 0.00 0.00 177.69 176.98 3r1r n HIS 310 N -0.09 1.24 -0.30 -2.67 -0.00 -1.12 -0.31 115.22 111.98 3r1r n HIS 310 Ca 0.18 0.59 0.06 0.00 0.46 0.00 0.00 57.72 59.02 3r1r n HIS 310 Cb 0.27 -2.24 0.27 0.00 -0.12 0.00 0.00 29.99 28.17 3r1r n HIS 310 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 3r1r h LEU 311 N 1.72 0.86 -2.18 0.27 5.85 -1.66 -0.46 115.31 119.70 3r1r h LEU 311 Ca -0.43 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3r1r h LEU 311 Cb 1.34 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3r1r h LEU 311 CO 0.58 0.52 0.00 -0.62 -0.34 0.00 0.00 178.44 178.58 3r1r n GLU 312 N -4.52 2.84 -0.25 1.25 1.02 -1.26 -4.62 120.64 115.09 3r1r n GLU 312 Ca 0.15 -1.53 0.05 0.00 -0.02 0.00 0.00 57.16 55.81 3r1r n GLU 312 Cb 0.27 -1.83 0.18 0.00 -0.02 0.00 0.00 31.44 30.04 3r1r n GLU 312 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3r1r h VAL 313 N 1.98 0.59 0.00 2.62 3.04 -1.38 -0.66 116.25 122.45 3r1r h VAL 313 Ca 0.00 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.54 3r1r h VAL 313 Cb 1.17 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 3r1r h VAL 313 CO 0.22 0.06 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.37 3r1r h GLU 314 N 0.35 0.00 0.02 4.17 5.08 -1.85 0.98 114.58 123.34 3r1r h GLU 314 Ca 0.41 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.50 3r1r h GLU 314 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3r1r h GLU 314 CO -0.45 0.15 -1.40 0.77 -1.00 0.00 0.00 179.01 177.08 3r1r h SER 315 N 0.00 0.08 -0.20 1.42 0.02 -1.66 -3.35 113.55 109.86 3r1r h SER 315 Ca -0.00 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 3r1r h SER 315 Cb 0.55 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3r1r h SER 315 CO 0.02 1.10 -0.41 -0.07 -1.14 0.00 0.00 176.83 176.33 3r1r h LEU 316 N 0.01 0.71 -2.24 5.07 3.38 -0.40 -3.29 115.31 118.55 3r1r h LEU 316 Ca -0.17 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.30 3r1r h LEU 316 Cb 1.92 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 3r1r h LEU 316 CO 0.11 1.13 0.17 -0.07 0.09 0.00 0.00 178.44 179.88 3r1r h LEU 317 N 0.32 0.00 -3.35 1.67 4.07 -0.96 -2.22 115.31 114.84 3r1r h LEU 317 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3r1r h LEU 317 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 3r1r h LEU 317 CO 0.09 0.00 0.00 1.33 -1.08 0.00 0.00 178.44 178.78 3r1r n VAL 318 N -3.85 2.44 0.28 1.22 0.24 -1.24 -4.67 118.33 112.74 3r1r n VAL 318 Ca 0.01 -1.75 0.14 0.00 -2.04 0.00 0.00 64.34 60.70 3r1r n VAL 318 Cb 0.29 -0.26 0.86 0.00 -1.47 0.00 0.00 33.84 33.26 3r1r n VAL 318 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3r1r h LEU 319 N 2.44 0.00 0.00 1.34 3.38 -1.48 0.19 115.31 121.18 3r1r h LEU 319 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3r1r h LEU 319 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 3r1r h LEU 319 CO 0.30 0.00 -0.97 0.29 0.09 0.00 0.00 178.44 178.16 3r1r n LYS 320 N -3.97 0.39 -1.71 1.13 5.02 -1.26 -2.10 118.16 115.66 3r1r n LYS 320 Ca -0.03 0.04 -0.58 0.00 -2.02 0.00 0.00 58.31 55.72 3r1r n LYS 320 Cb 0.11 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.37 3r1r n LYS 320 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3r1r n ASN 321 N -2.19 2.28 -0.06 4.39 5.15 0.05 -4.83 115.26 120.04 3r1r n ASN 321 Ca 0.01 1.09 -0.14 0.00 -0.60 0.00 0.00 54.58 54.94 3r1r n ASN 321 Cb 0.47 -1.12 -0.06 0.00 -0.53 0.00 0.00 39.78 38.54 3r1r n ASN 321 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3r1r h ASN 322 N 6.99 0.60 -0.73 1.20 -1.07 -1.90 -3.38 115.58 117.28 3r1r h ASN 322 Ca -0.46 -0.52 -0.27 0.00 0.07 0.00 0.00 56.30 55.12 3r1r h ASN 322 Cb 1.32 -0.17 -0.04 0.00 -2.07 0.00 0.00 38.32 37.36 3r1r h ASN 322 CO 0.96 1.00 0.68 -0.60 0.07 0.00 0.00 177.43 179.54 3r1r s ARG 323 N -4.15 2.44 -0.24 4.14 3.52 -1.26 -4.83 118.95 118.56 3r1r s ARG 323 Ca -0.13 -0.15 -0.37 0.00 -0.13 0.00 0.00 55.73 54.95 3r1r s ARG 323 Cb 0.07 -5.00 0.15 0.00 -1.56 0.00 0.00 34.95 28.61 3r1r s ARG 323 CO 0.80 -3.48 1.30 0.20 -0.81 0.00 0.00 175.30 173.31 3r1r s GLY 324 N 8.40 -0.23 0.26 8.12 0.00 -1.26 -5.14 107.32 117.47 3r1r s GLY 324 Ca 0.73 1.81 -0.30 0.00 0.00 0.00 0.00 44.72 46.96 3r1r s GLY 324 CO 0.01 0.61 1.56 0.54 0.00 0.00 0.00 173.10 175.83 3r1r s VAL 325 N -2.16 2.28 0.25 1.40 0.11 -1.26 -4.90 120.40 116.12 3r1r s VAL 325 Ca 0.10 0.23 -0.10 0.00 -2.93 0.00 0.00 61.98 59.29 3r1r s VAL 325 Cb -0.01 -3.15 0.33 0.00 -1.53 0.00 0.00 36.38 32.02 3r1r s VAL 325 CO -0.04 0.03 1.60 -0.08 -3.33 0.00 0.00 175.10 173.29 3r1r h GLU 326 N 5.32 0.02 0.00 1.54 4.81 -1.95 0.03 114.58 124.35 3r1r h GLU 326 Ca -0.46 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3r1r h GLU 326 Cb 1.22 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3r1r h GLU 326 CO 0.82 0.01 0.00 0.78 -0.73 0.00 0.00 179.01 179.89 3r1r h GLY 327 N 0.02 0.00 -4.02 1.92 0.00 -2.05 -2.91 103.07 96.04 3r1r h GLY 327 Ca 0.40 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.12 3r1r h GLY 327 CO -0.80 0.00 -0.19 0.70 0.00 0.00 0.00 176.54 176.25 3r1r n ASN 328 N -2.91 5.88 -3.72 0.19 5.03 -0.01 -4.94 115.26 114.78 3r1r n ASN 328 Ca -0.02 -3.76 -0.12 0.00 0.87 0.00 0.00 54.58 51.55 3r1r n ASN 328 Cb 0.13 -0.59 -0.11 0.00 -1.02 0.00 0.00 39.78 38.19 3r1r n ASN 328 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3r1r s ARG 329 N -3.69 0.38 -0.51 3.52 1.81 -1.10 -4.77 118.95 114.58 3r1r s ARG 329 Ca 0.55 0.62 0.07 0.00 -1.72 0.00 0.00 55.73 55.24 3r1r s ARG 329 Cb 0.44 0.06 0.24 0.00 -0.45 0.00 0.00 34.95 35.24 3r1r s ARG 329 CO -0.04 -0.11 0.59 0.28 -0.68 0.00 0.00 175.30 175.34 3r1r n VAL 330 N 3.64 0.60 0.29 3.52 0.31 -0.89 -4.99 118.33 120.82 3r1r n VAL 330 Ca -0.19 -4.49 0.18 0.00 -0.01 0.00 0.00 64.34 59.83 3r1r n VAL 330 Cb 0.56 -2.00 0.80 0.00 -0.91 0.00 0.00 33.84 32.28 3r1r n VAL 330 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3r1r h ARG 331 N 4.30 0.00 -0.99 5.55 3.08 -1.87 -3.33 114.38 121.11 3r1r h ARG 331 Ca 0.14 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.55 3r1r h ARG 331 Cb 0.79 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.54 3r1r h ARG 331 CO 0.62 0.01 0.80 0.72 -1.07 0.00 0.00 179.97 181.04 3r1r n HIS 332 N -3.10 3.18 -3.79 3.04 8.25 -1.26 -4.83 115.22 116.71 3r1r n HIS 332 Ca -0.00 -2.74 -0.13 0.00 -0.26 0.00 0.00 57.72 54.59 3r1r n HIS 332 Cb 0.26 -1.32 -0.10 0.00 1.12 0.00 0.00 29.99 29.94 3r1r n HIS 332 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3r1r s MET 333 N -3.70 0.44 0.35 -0.41 -1.94 -1.25 -4.79 119.30 108.00 3r1r s MET 333 Ca 0.63 0.10 -0.08 0.00 -1.71 0.00 0.00 55.69 54.62 3r1r s MET 333 Cb 0.50 0.20 -0.06 0.00 2.01 0.00 0.00 34.83 37.48 3r1r s MET 333 CO 0.02 -0.09 0.67 -0.51 -0.01 0.00 0.00 175.02 175.10 3r1r s ASP 334 N -0.51 6.49 0.11 3.03 1.01 -0.74 -4.92 116.67 121.14 3r1r s ASP 334 Ca -0.06 0.95 0.10 0.00 0.71 0.00 0.00 52.55 54.24 3r1r s ASP 334 Cb -0.04 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3r1r s ASP 334 CO 0.02 -0.30 -0.24 -0.31 0.21 0.00 0.00 175.17 174.54 3r1r s TYR 335 N -2.22 2.37 -0.30 4.23 2.02 -1.13 -1.15 117.35 121.16 3r1r s TYR 335 Ca 0.48 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 3r1r s TYR 335 Cb -0.10 -1.30 0.09 0.00 -0.40 0.00 0.00 41.96 40.24 3r1r s TYR 335 CO 0.30 0.32 0.01 0.20 -1.57 0.00 0.00 175.55 174.81 3r1r s GLY 336 N -1.94 1.63 -0.02 0.71 0.00 0.15 -0.18 107.32 107.66 3r1r s GLY 336 Ca 0.15 -2.04 -0.30 0.00 0.00 0.00 0.00 44.72 42.53 3r1r s GLY 336 CO 0.06 0.98 1.13 0.14 0.00 0.00 0.00 173.10 175.42 3r1r s VAL 337 N 1.14 4.38 -0.29 1.40 1.01 0.30 -2.28 120.40 126.06 3r1r s VAL 337 Ca 0.04 1.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.61 3r1r s VAL 337 Cb -0.19 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3r1r s VAL 337 CO -0.10 0.06 0.21 -1.10 0.00 0.00 0.00 175.10 174.17 3r1r s GLN 338 N 1.69 3.87 0.32 2.72 -0.21 -0.18 -0.11 119.66 127.76 3r1r s GLN 338 Ca 0.55 -0.35 0.09 0.00 0.02 0.00 0.00 55.36 55.67 3r1r s GLN 338 Cb -0.24 -3.69 -0.05 0.00 1.00 0.00 0.00 33.01 30.03 3r1r s GLN 338 CO 0.24 -0.23 0.01 0.42 -2.12 0.00 0.00 175.29 173.61 3r1r s ILE 339 N 1.78 2.89 0.25 1.08 1.01 -0.21 -1.70 121.20 126.30 3r1r s ILE 339 Ca 0.07 -1.95 0.01 0.00 0.00 0.00 0.00 60.65 58.79 3r1r s ILE 339 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3r1r s ILE 339 CO 0.11 -0.26 0.21 0.54 0.00 0.00 0.00 174.94 175.54 3r1r s ASN 340 N -3.71 0.70 0.21 3.58 4.22 -1.26 -1.35 114.94 117.32 3r1r s ASN 340 Ca 0.34 -1.50 -0.16 0.00 -2.14 0.00 0.00 52.86 49.40 3r1r s ASN 340 Cb -0.03 0.46 0.22 0.00 1.28 0.00 0.00 41.25 43.18 3r1r s ASN 340 CO 0.20 -0.95 1.60 0.50 -2.04 0.00 0.00 177.10 176.41 3r1r h LYS 341 N 2.42 -0.06 -0.42 3.55 3.11 -1.99 -2.34 116.57 120.84 3r1r h LYS 341 Ca -0.31 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.61 3r1r h LYS 341 Cb 1.24 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 32.42 3r1r h LYS 341 CO 0.46 -0.04 -0.02 1.25 -2.81 0.00 0.00 179.45 178.29 3r1r h LEU 342 N -0.06 -0.21 -0.19 5.20 5.85 -1.97 -1.29 115.31 122.63 3r1r h LEU 342 Ca 0.30 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.16 3r1r h LEU 342 Cb 0.53 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3r1r h LEU 342 CO -0.70 -0.07 -0.10 0.24 -0.34 0.00 0.00 178.44 177.47 3r1r h MET 343 N 0.09 -0.09 -0.82 1.25 2.86 -1.84 -1.31 114.93 115.08 3r1r h MET 343 Ca 0.21 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 3r1r h MET 343 Cb 0.30 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3r1r h MET 343 CO -0.36 -0.06 0.51 1.88 1.06 0.00 0.00 176.91 179.94 3r1r h TYR 344 N -0.09 0.94 -0.69 -0.22 0.05 -1.30 -0.86 116.97 114.81 3r1r h TYR 344 Ca 0.11 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3r1r h TYR 344 Cb 0.25 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3r1r h TYR 344 CO -0.26 0.49 0.39 1.15 -1.05 0.00 0.00 178.16 178.89 3r1r h THR 345 N 0.94 1.21 -0.46 -2.88 2.02 -0.74 -0.17 112.91 112.83 3r1r h THR 345 Ca 0.35 -0.49 0.09 0.00 0.77 0.00 0.00 66.41 67.13 3r1r h THR 345 Cb 0.13 0.29 -0.09 0.00 -1.74 0.00 0.00 68.15 66.74 3r1r h THR 345 CO -0.16 0.22 -0.14 0.03 0.37 0.00 0.00 175.52 175.85 3r1r h ARG 346 N 0.94 -0.03 0.11 6.66 2.47 -0.03 0.26 114.38 124.75 3r1r h ARG 346 Ca 0.24 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.99 3r1r h ARG 346 Cb 0.01 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 3r1r h ARG 346 CO -0.04 -0.02 -0.31 1.25 0.56 0.00 0.00 179.97 181.41 3r1r h LEU 347 N -0.03 -0.90 -0.67 3.04 5.85 -0.67 0.77 115.31 122.70 3r1r h LEU 347 Ca 0.22 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.08 3r1r h LEU 347 Cb 0.37 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3r1r h LEU 347 CO -0.49 -0.40 0.41 -0.07 -0.34 0.00 0.00 178.44 177.55 3r1r h LEU 348 N -0.53 0.65 0.00 2.25 3.38 0.56 -0.91 115.31 120.72 3r1r h LEU 348 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3r1r h LEU 348 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3r1r h LEU 348 CO -0.19 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.07 3r1r n LYS 349 N -4.71 0.83 -3.13 1.13 5.02 0.75 -4.87 118.16 113.18 3r1r n LYS 349 Ca 0.07 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 3r1r n LYS 349 Cb 0.11 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.67 3r1r n LYS 349 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3r1r n GLY 350 N 0.73 -0.42 0.50 0.72 0.00 -0.35 -4.99 105.19 101.38 3r1r n GLY 350 Ca 0.20 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 3r1r n GLY 350 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3r1r n GLU 351 N -4.04 1.01 -3.63 1.61 1.02 0.20 -4.91 120.64 111.90 3r1r n GLU 351 Ca -0.07 -0.41 -0.22 0.00 -0.02 0.00 0.00 57.16 56.45 3r1r n GLU 351 Cb 0.59 -0.02 -0.01 0.00 -0.02 0.00 0.00 31.44 31.98 3r1r n GLU 351 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3r1r s ASP 352 N -1.45 6.21 -0.09 1.62 1.11 -1.26 -1.74 116.67 121.07 3r1r s ASP 352 Ca 0.07 0.15 0.05 0.00 0.18 0.00 0.00 52.55 53.00 3r1r s ASP 352 Cb -0.01 -1.77 -0.00 0.00 1.07 0.00 0.00 42.92 42.21 3r1r s ASP 352 CO 0.05 -0.25 -0.24 -0.63 1.18 0.00 0.00 175.17 175.28 3r1r s ILE 353 N -2.16 2.11 -0.09 0.77 1.01 0.74 -4.73 121.20 118.85 3r1r s ILE 353 Ca 0.39 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 3r1r s ILE 353 Cb -0.09 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3r1r s ILE 353 CO 0.32 0.56 0.50 -0.89 0.00 0.00 0.00 174.94 175.43 3r1r s THR 354 N 0.16 5.13 -0.03 2.92 2.01 -1.26 -1.46 115.64 123.11 3r1r s THR 354 Ca -0.13 1.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.77 3r1r s THR 354 Cb -0.16 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3r1r s THR 354 CO 0.07 0.36 0.31 -0.76 -0.69 0.00 0.00 174.62 173.90 3r1r s LEU 355 N 0.39 4.42 -0.03 4.42 1.43 0.26 -4.82 118.68 124.75 3r1r s LEU 355 Ca 0.27 0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 54.08 3r1r s LEU 355 Cb -0.16 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.58 3r1r s LEU 355 CO 0.12 0.33 0.09 -0.36 0.23 0.00 0.00 176.35 176.76 3r1r s PHE 356 N -1.13 -0.06 0.20 0.29 0.08 0.58 -2.04 117.98 115.90 3r1r s PHE 356 Ca 0.23 0.16 -0.30 0.00 0.12 0.00 0.00 56.93 57.13 3r1r s PHE 356 Cb -0.15 0.01 -0.08 0.00 -0.57 0.00 0.00 43.02 42.23 3r1r s PHE 356 CO 0.11 -0.09 1.09 0.45 -0.10 0.00 0.00 175.22 176.68 3r1r s SER 357 N -0.23 7.30 0.38 1.36 0.15 -1.26 -1.83 113.70 119.57 3r1r s SER 357 Ca -0.03 2.11 0.08 0.00 0.70 0.00 0.00 55.95 58.82 3r1r s SER 357 Cb -0.02 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.51 3r1r s SER 357 CO 0.00 -0.17 1.96 -0.65 1.20 0.00 0.00 173.24 175.58 3r1r h PRO 358 N 4.77 0.63 -0.08 5.44 0.11 -1.87 -2.08 132.00 138.92 3r1r h PRO 358 Ca -0.45 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3r1r h PRO 358 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3r1r h PRO 358 CO 0.71 0.42 0.08 0.66 -0.21 0.00 0.00 178.00 179.66 3r1r h SER 359 N 0.65 0.00 -0.60 -2.05 4.64 -1.91 -2.79 113.55 111.49 3r1r h SER 359 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3r1r h SER 359 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3r1r h SER 359 CO -0.10 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.33 3r1r n ASP 360 N -3.97 3.71 -3.57 4.97 8.00 -0.78 -4.80 116.55 120.11 3r1r n ASP 360 Ca -0.01 -1.99 -0.28 0.00 0.71 0.00 0.00 54.79 53.22 3r1r n ASP 360 Cb 0.18 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 3r1r n ASP 360 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3r1r s VAL 361 N -1.12 0.99 -0.01 2.53 -7.23 -1.05 -4.88 120.40 109.64 3r1r s VAL 361 Ca 0.43 -2.75 -0.38 0.00 -1.81 0.00 0.00 61.98 57.48 3r1r s VAL 361 Cb 0.23 -1.68 -0.17 0.00 0.56 0.00 0.00 36.38 35.32 3r1r s VAL 361 CO 0.31 -1.08 1.41 -2.65 -0.31 0.00 0.00 175.10 172.79 3r1r n PRO 362 N 3.06 1.05 -0.13 4.82 -0.02 -1.26 -1.50 135.00 141.02 3r1r n PRO 362 Ca 0.20 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3r1r n PRO 362 Cb 0.41 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3r1r n PRO 362 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3r1r n GLY 363 N 2.83 2.06 0.44 -1.23 0.00 -1.26 -4.90 105.19 103.14 3r1r n GLY 363 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 3r1r n GLY 363 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3r1r h LEU 364 N 0.00 -0.93 -0.42 0.99 6.46 -1.63 -2.32 115.31 117.45 3r1r h LEU 364 Ca 0.00 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 3r1r h LEU 364 Cb 0.00 0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.08 3r1r h LEU 364 CO 0.00 -0.58 -0.49 0.22 -0.62 0.00 0.00 178.44 176.97 3r1r h TYR 365 N -1.27 -1.46 0.22 1.25 3.20 -1.91 0.15 116.97 117.15 3r1r h TYR 365 Ca -0.11 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.84 3r1r h TYR 365 Cb 0.84 0.70 -0.04 0.00 1.54 0.00 0.00 36.73 39.77 3r1r h TYR 365 CO 0.00 -0.47 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.21 3r1r h ASP 366 N -0.36 -1.16 -0.78 -2.11 3.32 -1.96 -2.61 116.42 110.77 3r1r h ASP 366 Ca 0.11 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.39 3r1r h ASP 366 Cb 0.59 0.42 -0.13 0.00 0.22 0.00 0.00 39.33 40.44 3r1r h ASP 366 CO -0.59 -0.51 -0.44 0.00 -1.72 0.00 0.00 179.24 175.98 3r1r h ALA 367 N -0.26 -0.20 -0.78 3.45 0.00 -0.66 0.06 119.26 120.87 3r1r h ALA 367 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.23 3r1r h ALA 367 Cb 0.69 1.04 -0.14 0.00 0.00 0.00 0.00 17.79 19.38 3r1r h ALA 367 CO -0.18 -0.78 -0.21 0.34 0.00 0.00 0.00 179.25 178.42 3r1r n PHE 368 N -5.40 0.24 0.03 0.00 7.35 0.40 -0.10 117.46 119.99 3r1r n PHE 368 Ca 0.04 0.95 -0.22 0.00 -0.76 0.00 0.00 57.45 57.47 3r1r n PHE 368 Cb 0.35 -0.93 -0.14 0.00 0.35 0.00 0.00 39.48 39.11 3r1r n PHE 368 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3r1r h PHE 369 N 0.00 0.54 0.08 -5.13 0.04 -1.02 -3.42 116.94 108.02 3r1r h PHE 369 Ca 0.36 -0.39 -0.34 0.00 2.80 0.00 0.00 57.97 60.40 3r1r h PHE 369 Cb 0.55 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 3r1r h PHE 369 CO -0.61 1.55 -1.89 0.00 -0.60 0.00 0.00 178.31 176.75 3r1r n ALA 370 N -2.90 1.13 -3.66 2.45 0.00 -0.47 -4.61 120.51 112.44 3r1r n ALA 370 Ca -0.23 -0.67 -0.26 0.00 0.00 0.00 0.00 53.44 52.28 3r1r n ALA 370 Cb 0.94 -0.74 -0.17 0.00 0.00 0.00 0.00 19.45 19.48 3r1r n ALA 370 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3r1r s ASP 371 N -6.66 2.50 0.14 0.00 -1.08 0.86 -4.73 116.67 107.70 3r1r s ASP 371 Ca -0.16 -0.65 -0.08 0.00 -0.52 0.00 0.00 52.55 51.14 3r1r s ASP 371 Cb 0.07 -0.38 -0.05 0.00 -1.46 0.00 0.00 42.92 41.11 3r1r s ASP 371 CO 0.79 -0.33 1.39 1.56 0.52 0.00 0.00 175.17 179.11 3r1r h GLN 372 N 8.35 0.70 0.18 4.34 1.08 -1.87 0.41 115.11 128.30 3r1r h GLN 372 Ca -0.15 -0.51 -0.01 0.00 -1.45 0.00 0.00 58.65 56.52 3r1r h GLN 372 Cb 1.14 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3r1r h GLN 372 CO 0.30 1.13 -0.09 0.93 -0.95 0.00 0.00 178.83 180.16 3r1r h GLU 373 N 0.50 -0.24 -1.00 1.46 4.39 -1.95 0.74 114.58 118.48 3r1r h GLU 373 Ca -0.02 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3r1r h GLU 373 Cb 1.27 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.93 3r1r h GLU 373 CO 0.13 -0.16 0.66 1.49 -1.16 0.00 0.00 179.01 179.98 3r1r h GLU 374 N -0.25 1.31 0.29 2.33 4.57 -1.92 0.14 114.58 121.05 3r1r h GLU 374 Ca -0.02 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3r1r h GLU 374 Cb 0.19 -0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3r1r h GLU 374 CO 0.04 0.87 -0.20 0.35 -1.18 0.00 0.00 179.01 178.88 3r1r h PHE 375 N 1.35 -0.54 -0.62 0.92 3.57 -0.45 -0.56 116.94 120.62 3r1r h PHE 375 Ca 0.37 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.96 3r1r h PHE 375 Cb -0.14 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 3r1r h PHE 375 CO -0.00 -0.31 0.25 1.49 -2.23 0.00 0.00 178.31 177.50 3r1r h GLU 376 N -0.49 0.43 0.46 1.11 4.81 -0.09 0.44 114.58 121.25 3r1r h GLU 376 Ca -0.02 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3r1r h GLU 376 Cb 0.42 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3r1r h GLU 376 CO 0.01 0.28 -0.37 -0.09 -0.73 0.00 0.00 179.01 178.12 3r1r h ARG 377 N 0.44 -0.77 -0.55 1.92 2.43 -0.69 -1.89 114.38 115.27 3r1r h ARG 377 Ca 0.31 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.63 3r1r h ARG 377 Cb 0.37 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 3r1r h ARG 377 CO -0.29 -0.51 0.09 -0.07 -1.51 0.00 0.00 179.97 177.67 3r1r h LEU 378 N -0.80 -0.04 -0.24 3.80 3.38 -0.81 -1.03 115.31 119.56 3r1r h LEU 378 Ca -0.06 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3r1r h LEU 378 Cb 0.67 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 3r1r h LEU 378 CO 0.01 -0.00 -0.16 0.22 0.09 0.00 0.00 178.44 178.60 3r1r h TYR 379 N 0.22 -0.40 -0.34 1.13 3.20 -0.02 -0.39 116.97 120.37 3r1r h TYR 379 Ca 0.28 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.14 3r1r h TYR 379 Cb 0.41 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3r1r h TYR 379 CO -0.26 -0.23 0.03 1.79 -1.64 0.00 0.00 178.16 177.85 3r1r h THR 380 N -0.15 1.25 -0.09 1.81 1.35 -0.99 -1.19 112.91 114.90 3r1r h THR 380 Ca 0.13 -0.89 0.03 0.00 -0.55 0.00 0.00 66.41 65.13 3r1r h THR 380 Cb 0.35 1.17 -0.06 0.00 -1.73 0.00 0.00 68.15 67.88 3r1r h THR 380 CO -0.33 0.30 -0.54 0.50 -0.25 0.00 0.00 175.52 175.20 3r1r h LYS 381 N 0.40 -0.58 0.00 4.72 3.64 -0.77 -0.33 116.57 123.65 3r1r h LYS 381 Ca 0.10 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3r1r h LYS 381 Cb 0.40 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3r1r h LYS 381 CO 0.01 -0.39 -0.10 1.88 -2.27 0.00 0.00 179.45 178.58 3r1r h TYR 382 N -0.60 0.00 -0.21 1.91 0.05 -1.04 -1.39 116.97 115.68 3r1r h TYR 382 Ca 0.03 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.82 3r1r h TYR 382 Cb 0.68 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 3r1r h TYR 382 CO -0.57 0.10 0.10 0.93 -1.05 0.00 0.00 178.16 177.68 3r1r h GLU 383 N 0.00 0.22 0.57 4.88 5.08 0.21 -3.13 114.58 122.41 3r1r h GLU 383 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3r1r h GLU 383 Cb 0.21 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.41 3r1r h GLU 383 CO 0.01 0.14 -0.27 0.87 -1.00 0.00 0.00 179.01 178.76 3r1r h LYS 384 N 0.22 -0.73 -5.78 2.33 6.56 -0.65 -3.43 116.57 115.09 3r1r h LYS 384 Ca 0.09 0.05 -0.63 0.00 -1.06 0.00 0.00 60.65 59.10 3r1r h LYS 384 Cb 0.02 0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 31.82 3r1r h LYS 384 CO -0.06 -0.43 1.49 -3.47 -2.06 0.00 0.00 179.45 174.92 3r1r n ASP 385 N -5.36 1.67 0.00 0.86 -0.08 -0.59 -4.82 116.55 108.24 3r1r n ASP 385 Ca -0.12 0.29 0.09 0.00 -1.51 0.00 0.00 54.79 53.54 3r1r n ASP 385 Cb 0.33 -1.20 0.41 0.00 2.34 0.00 0.00 41.12 43.01 3r1r n ASP 385 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3r1r n ASP 386 N 10.46 0.03 0.13 1.67 9.92 -1.26 -2.86 116.55 134.63 3r1r n ASP 386 Ca 0.47 0.51 -0.01 0.00 -0.53 0.00 0.00 54.79 55.22 3r1r n ASP 386 Cb 0.20 -0.51 0.14 0.00 -0.64 0.00 0.00 41.12 40.31 3r1r n ASP 386 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3r1r h SER 387 N 0.00 0.00 -3.02 -2.24 4.64 -1.94 -3.44 113.55 107.55 3r1r h SER 387 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3r1r h SER 387 Cb 0.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 3r1r h SER 387 CO 0.00 0.64 0.79 -0.63 -0.87 0.00 0.00 176.83 176.76 3r1r s ILE 388 N -3.40 4.37 0.41 0.95 -1.09 -1.14 -5.00 121.20 116.29 3r1r s ILE 388 Ca -0.00 1.67 -0.26 0.00 -2.23 0.00 0.00 60.65 59.82 3r1r s ILE 388 Cb 0.12 -4.07 -0.10 0.00 -1.58 0.00 0.00 42.46 36.82 3r1r s ILE 388 CO 0.76 -0.08 1.27 -1.14 -1.23 0.00 0.00 174.94 174.52 3r1r n ARG 389 N 5.94 1.97 -3.80 2.79 0.63 -1.26 -4.97 116.66 117.96 3r1r n ARG 389 Ca 0.12 0.70 -0.04 0.00 -0.92 0.00 0.00 57.85 57.71 3r1r n ARG 389 Cb 0.46 -2.37 -0.00 0.00 0.45 0.00 0.00 32.46 30.99 3r1r n ARG 389 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3r1r s LYS 390 N -2.14 1.35 -0.07 -0.14 -2.85 -1.26 -4.67 119.74 109.96 3r1r s LYS 390 Ca 0.60 -0.79 -0.07 0.00 -1.00 0.00 0.00 55.97 54.70 3r1r s LYS 390 Cb -0.52 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 35.70 3r1r s LYS 390 CO 0.59 -0.62 0.20 -1.14 0.10 0.00 0.00 175.35 174.48 3r1r s GLN 391 N -2.97 0.28 -0.07 1.78 0.74 -0.87 -4.95 119.66 113.61 3r1r s GLN 391 Ca 0.15 0.19 -0.04 0.00 0.05 0.00 0.00 55.36 55.71 3r1r s GLN 391 Cb -0.02 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 3r1r s GLN 391 CO 0.04 -0.04 0.10 1.03 -0.55 0.00 0.00 175.29 175.87 3r1r s ARG 392 N -0.11 3.25 -0.00 1.67 1.81 -1.26 0.90 118.95 125.21 3r1r s ARG 392 Ca -0.02 -0.30 -0.04 0.00 -1.72 0.00 0.00 55.73 53.64 3r1r s ARG 392 Cb -0.02 -3.01 -0.00 0.00 -0.45 0.00 0.00 34.95 31.47 3r1r s ARG 392 CO 0.01 0.72 0.08 0.14 -0.68 0.00 0.00 175.30 175.57 3r1r s VAL 393 N -1.08 0.07 -0.10 3.52 -7.23 -0.54 -4.95 120.40 110.09 3r1r s VAL 393 Ca 0.18 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 3r1r s VAL 393 Cb -0.12 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 3r1r s VAL 393 CO 0.08 -0.31 1.29 -0.75 -0.31 0.00 0.00 175.10 175.10 3r1r s LYS 394 N -1.01 4.27 0.27 4.82 2.20 -1.26 -0.19 119.74 128.84 3r1r s LYS 394 Ca -0.11 1.74 -0.04 0.00 -0.36 0.00 0.00 55.97 57.20 3r1r s LYS 394 Cb -0.06 -3.69 0.55 0.00 -1.51 0.00 0.00 37.83 33.11 3r1r s LYS 394 CO 0.01 -0.62 1.60 0.00 -0.36 0.00 0.00 175.35 175.98 3r1r h ALA 395 N 8.02 0.88 -0.82 3.13 0.00 -1.62 0.67 119.26 129.52 3r1r h ALA 395 Ca -0.31 0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3r1r h ALA 395 Cb 1.14 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 3r1r h ALA 395 CO 0.93 -0.47 0.49 -0.39 0.00 0.00 0.00 179.25 179.81 3r1r h VAL 396 N 0.05 0.98 0.64 0.00 -1.51 -1.86 0.17 116.25 114.72 3r1r h VAL 396 Ca 0.49 -0.30 -0.03 0.00 -1.23 0.00 0.00 66.70 65.63 3r1r h VAL 396 Cb 0.90 0.04 0.01 0.00 -2.13 0.00 0.00 31.29 30.10 3r1r h VAL 396 CO -0.82 0.16 -0.31 -0.33 -1.23 0.00 0.00 177.57 175.04 3r1r h GLU 397 N 0.86 -0.83 0.29 5.19 5.08 -0.09 0.12 114.58 125.20 3r1r h GLU 397 Ca 0.37 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3r1r h GLU 397 Cb 0.25 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3r1r h GLU 397 CO -0.20 -0.53 -0.36 1.25 -1.00 0.00 0.00 179.01 178.17 3r1r h LEU 398 N -0.93 -0.98 -0.52 1.33 5.85 -0.86 0.36 115.31 119.57 3r1r h LEU 398 Ca -0.09 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3r1r h LEU 398 Cb 0.68 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3r1r h LEU 398 CO 0.14 -0.48 0.16 -0.26 -0.34 0.00 0.00 178.44 177.66 3r1r h PHE 399 N -0.69 0.27 -0.86 1.25 0.04 -0.70 -0.84 116.94 115.41 3r1r h PHE 399 Ca -0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3r1r h PHE 399 Cb 0.65 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 3r1r h PHE 399 CO -0.24 0.06 0.47 0.77 -0.60 0.00 0.00 178.31 178.77 3r1r h SER 400 N 0.32 1.08 0.08 2.17 0.02 -0.17 -0.46 113.55 116.59 3r1r h SER 400 Ca 0.25 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3r1r h SER 400 Cb 0.31 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3r1r h SER 400 CO -0.28 0.87 -0.13 0.25 -1.14 0.00 0.00 176.83 176.41 3r1r h LEU 401 N 1.20 -0.34 -0.26 5.07 5.85 0.76 -0.08 115.31 127.51 3r1r h LEU 401 Ca 0.30 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.09 3r1r h LEU 401 Cb 0.04 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3r1r h LEU 401 CO -0.05 -0.19 0.06 -0.03 -0.34 0.00 0.00 178.44 177.89 3r1r h MET 402 N -0.26 0.16 -0.27 1.25 4.05 -0.84 -2.04 114.93 116.98 3r1r h MET 402 Ca 0.02 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 3r1r h MET 402 Cb 0.27 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3r1r h MET 402 CO -0.06 0.10 -0.12 0.52 0.23 0.00 0.00 176.91 177.58 3r1r h MET 403 N 0.16 0.45 0.53 0.39 2.86 -0.87 0.89 114.93 119.34 3r1r h MET 403 Ca 0.12 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3r1r h MET 403 Cb 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3r1r h MET 403 CO -0.15 0.57 -0.33 0.37 1.06 0.00 0.00 176.91 178.43 3r1r h GLN 404 N 0.42 -0.79 -0.27 1.72 4.15 -0.61 0.67 115.11 120.39 3r1r h GLN 404 Ca 0.08 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 3r1r h GLN 404 Cb 0.46 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3r1r h GLN 404 CO 0.03 -0.53 0.07 0.93 -1.93 0.00 0.00 178.83 177.40 3r1r h GLU 405 N -0.82 0.39 -0.41 1.69 4.39 -1.12 0.28 114.58 118.98 3r1r h GLU 405 Ca -0.06 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 3r1r h GLU 405 Cb 0.67 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3r1r h GLU 405 CO 0.06 0.36 -0.22 -0.09 -1.16 0.00 0.00 179.01 177.96 3r1r h ARG 406 N 0.39 0.87 -0.34 2.33 2.43 -0.31 -1.65 114.38 118.09 3r1r h ARG 406 Ca 0.09 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.81 3r1r h ARG 406 Cb 0.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3r1r h ARG 406 CO -0.00 1.03 -0.03 0.00 -1.51 0.00 0.00 179.97 179.46 3r1r h ALA 407 N 0.81 0.47 0.03 2.80 0.00 0.21 0.60 119.26 124.17 3r1r h ALA 407 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3r1r h ALA 407 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3r1r h ALA 407 CO 0.06 0.26 -0.01 0.66 0.00 0.00 0.00 179.25 180.22 3r1r h SER 408 N 0.43 -0.03 0.65 0.00 4.64 -0.53 -3.35 113.55 115.37 3r1r h SER 408 Ca 0.09 -0.48 -0.26 0.00 -0.47 0.00 0.00 61.79 60.67 3r1r h SER 408 Cb 0.51 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 3r1r h SER 408 CO 0.02 0.48 -1.48 0.71 -0.87 0.00 0.00 176.83 175.69 3r1r h THR 409 N -0.54 1.09 0.00 2.95 1.35 -1.35 -3.48 112.91 112.93 3r1r h THR 409 Ca -0.00 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 3r1r h THR 409 Cb 0.51 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3r1r h THR 409 CO 0.01 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 3r1r n GLY 410 N 1.49 1.94 0.49 5.82 0.00 0.21 -4.88 105.19 110.26 3r1r n GLY 410 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.97 3r1r n GLY 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3r1r n ARG 411 N -2.00 1.54 -3.64 1.61 5.12 -1.26 -2.79 116.66 115.24 3r1r n ARG 411 Ca 0.00 -3.12 -0.39 0.00 -1.93 0.00 0.00 57.85 52.41 3r1r n ARG 411 Cb 0.00 -1.60 -0.10 0.00 -1.16 0.00 0.00 32.46 29.60 3r1r n ARG 411 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3r1r s ILE 412 N -3.15 3.90 0.42 0.55 -1.09 -1.26 -2.85 121.20 117.72 3r1r s ILE 412 Ca 0.37 -1.79 -0.04 0.00 -2.23 0.00 0.00 60.65 56.96 3r1r s ILE 412 Cb 0.35 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 3r1r s ILE 412 CO -0.04 -0.69 0.70 -0.31 -1.23 0.00 0.00 174.94 173.37 3r1r s TYR 413 N 1.30 3.53 -0.05 3.97 2.02 0.74 -4.70 117.35 124.18 3r1r s TYR 413 Ca 0.06 0.67 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 3r1r s TYR 413 Cb -0.24 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 3r1r s TYR 413 CO -0.01 -0.12 -0.11 0.42 -1.57 0.00 0.00 175.55 174.15 3r1r s ILE 414 N -2.55 3.31 -0.15 2.71 1.09 -0.91 0.11 121.20 124.80 3r1r s ILE 414 Ca 0.45 -0.68 -0.00 0.00 -1.10 0.00 0.00 60.65 59.32 3r1r s ILE 414 Cb -0.10 -2.33 0.03 0.00 -1.06 0.00 0.00 42.46 39.00 3r1r s ILE 414 CO 0.41 0.56 -0.07 -1.58 -0.10 0.00 0.00 174.94 174.16 3r1r s GLN 415 N -0.86 1.60 -0.92 2.79 0.74 0.84 -1.14 119.66 122.70 3r1r s GLN 415 Ca 0.12 -0.47 -0.22 0.00 0.05 0.00 0.00 55.36 54.84 3r1r s GLN 415 Cb -0.11 -1.92 0.07 0.00 1.10 0.00 0.00 33.01 32.15 3r1r s GLN 415 CO 0.02 -0.36 1.28 -0.80 -0.55 0.00 0.00 175.29 174.88 3r1r s ASN 416 N 1.62 6.46 0.35 6.67 0.01 0.15 -1.04 114.94 129.16 3r1r s ASN 416 Ca 0.02 -1.46 0.13 0.00 -0.71 0.00 0.00 52.86 50.84 3r1r s ASN 416 Cb -0.14 -2.50 0.63 0.00 0.41 0.00 0.00 41.25 39.65 3r1r s ASN 416 CO -0.08 -1.41 1.77 -0.37 -1.51 0.00 0.00 177.10 175.50 3r1r h VAL 417 N 6.33 1.27 0.21 1.60 -1.51 -1.49 -0.61 116.25 122.06 3r1r h VAL 417 Ca 0.08 -1.51 -0.01 0.00 -1.23 0.00 0.00 66.70 64.02 3r1r h VAL 417 Cb 1.03 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 3r1r h VAL 417 CO 1.29 0.43 -0.10 -2.24 -1.23 0.00 0.00 177.57 175.71 3r1r h ASP 418 N 0.00 -0.24 -0.96 4.19 3.04 -1.81 -1.97 116.42 118.66 3r1r h ASP 418 Ca -0.00 -0.18 0.12 0.00 -3.24 0.00 0.00 57.03 53.73 3r1r h ASP 418 Cb 0.79 0.06 -0.08 0.00 -1.04 0.00 0.00 39.33 39.06 3r1r h ASP 418 CO 0.06 0.05 0.61 0.45 -2.04 0.00 0.00 179.24 178.37 3r1r h HIS 419 N -0.55 1.05 0.00 4.15 3.86 -1.85 0.50 115.15 122.31 3r1r h HIS 419 Ca -0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3r1r h HIS 419 Cb 0.41 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3r1r h HIS 419 CO 0.01 0.42 -0.04 0.00 0.86 0.00 0.00 177.93 179.18 3r1r n ASN 421 N -3.35 2.86 0.17 0.00 3.02 0.15 -4.40 115.26 113.71 3r1r n ASN 421 Ca -0.02 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.58 3r1r n ASN 421 Cb 0.17 0.79 0.15 0.00 -0.61 0.00 0.00 39.78 40.29 3r1r n ASN 421 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3r1r h THR 422 N 0.00 0.71 -2.17 3.41 1.35 -0.85 -3.34 112.91 112.02 3r1r h THR 422 Ca -0.21 -1.81 -0.57 0.00 -0.55 0.00 0.00 66.41 63.26 3r1r h THR 422 Cb 1.42 2.21 -0.41 0.00 -1.73 0.00 0.00 68.15 69.63 3r1r h THR 422 CO 0.01 0.37 -0.77 1.57 -0.25 0.00 0.00 175.52 176.46 3r1r n HIS 423 N -3.27 2.75 -4.18 4.73 -0.00 -0.99 -4.88 115.22 109.38 3r1r n HIS 423 Ca 0.02 -3.97 -0.11 0.00 -0.00 0.00 0.00 57.72 53.66 3r1r n HIS 423 Cb 0.63 -0.49 -0.10 0.00 -0.00 0.00 0.00 29.99 30.04 3r1r n HIS 423 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3r1r s SER 424 N -2.64 0.39 0.23 0.26 1.04 -1.25 -4.83 113.70 106.90 3r1r s SER 424 Ca 0.42 -1.27 0.25 0.00 0.48 0.00 0.00 55.95 55.84 3r1r s SER 424 Cb 0.23 0.30 0.90 0.00 0.10 0.00 0.00 66.02 67.54 3r1r s SER 424 CO -0.08 -0.75 1.75 -0.81 0.98 0.00 0.00 173.24 174.33 3r1r n PRO 425 N -0.18 0.22 -3.73 4.02 -0.04 -1.26 -4.72 135.00 129.31 3r1r n PRO 425 Ca -0.03 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.54 3r1r n PRO 425 Cb 0.64 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 3r1r n PRO 425 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3r1r s PHE 426 N -3.20 3.25 -0.40 0.54 0.08 -1.26 0.14 117.98 117.13 3r1r s PHE 426 Ca 0.08 -0.13 -0.21 0.00 0.12 0.00 0.00 56.93 56.78 3r1r s PHE 426 Cb 0.11 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3r1r s PHE 426 CO 0.49 0.22 0.66 0.34 -0.10 0.00 0.00 175.22 176.84 3r1r s ASP 427 N -4.07 6.39 0.29 1.36 -1.08 -0.25 -4.43 116.67 114.89 3r1r s ASP 427 Ca 0.39 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 52.40 3r1r s ASP 427 Cb -0.09 -2.33 0.69 0.00 -1.46 0.00 0.00 42.92 39.73 3r1r s ASP 427 CO 0.30 -0.71 1.76 -0.65 0.52 0.00 0.00 175.17 176.38 3r1r h PRO 428 N 8.69 0.64 -0.59 4.34 0.11 -1.84 0.74 132.00 144.09 3r1r h PRO 428 Ca -0.26 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 3r1r h PRO 428 Cb 1.10 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3r1r h PRO 428 CO 0.88 0.42 0.14 0.00 -0.21 0.00 0.00 178.00 179.22 3r1r h ALA 429 N 1.64 1.13 0.05 -0.75 0.00 -1.92 -3.22 119.26 116.19 3r1r h ALA 429 Ca 0.55 -0.22 -0.37 0.00 0.00 0.00 0.00 54.91 54.87 3r1r h ALA 429 Cb 0.89 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3r1r h ALA 429 CO -0.41 0.58 -2.10 -0.89 0.00 0.00 0.00 179.25 176.43 3r1r n ILE 430 N -4.26 1.63 -3.06 0.00 5.41 0.35 -4.85 119.36 114.58 3r1r n ILE 430 Ca 0.04 -0.51 -0.16 0.00 1.00 0.00 0.00 62.75 63.13 3r1r n ILE 430 Cb 0.24 -1.70 -0.04 0.00 -0.71 0.00 0.00 39.64 37.43 3r1r n ILE 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3r1r n ALA 431 N -3.28 0.50 -1.42 -1.39 0.00 0.23 -5.04 120.51 110.10 3r1r n ALA 431 Ca -0.39 -2.13 -0.30 0.00 0.00 0.00 0.00 53.44 50.63 3r1r n ALA 431 Cb 0.96 -1.11 0.11 0.00 0.00 0.00 0.00 19.45 19.41 3r1r n ALA 431 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3r1r s PRO 432 N 0.34 1.68 -0.31 0.00 0.04 -1.21 -4.20 135.00 131.33 3r1r s PRO 432 Ca 0.32 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 3r1r s PRO 432 Cb 0.05 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.76 3r1r s PRO 432 CO -0.13 -1.91 0.05 0.08 0.04 0.00 0.00 177.00 175.13 3r1r s VAL 433 N -3.09 3.47 -0.20 -0.36 1.01 -1.26 -4.10 120.40 115.86 3r1r s VAL 433 Ca 0.62 -1.16 0.12 0.00 0.00 0.00 0.00 61.98 61.56 3r1r s VAL 433 Cb -0.16 -2.94 0.41 0.00 0.00 0.00 0.00 36.38 33.70 3r1r s VAL 433 CO 0.55 -0.09 1.22 0.54 0.00 0.00 0.00 175.10 177.31 3r1r n ARG 434 N 4.74 1.54 0.00 2.72 1.74 -1.26 -4.73 116.66 121.41 3r1r n ARG 434 Ca -0.13 -3.25 0.00 0.00 -0.77 0.00 0.00 57.85 53.70 3r1r n ARG 434 Cb 0.45 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3r1r n ARG 434 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3r1r n GLN 435 N -1.09 -1.23 -0.01 5.56 10.64 -1.26 -4.96 117.38 125.03 3r1r n GLN 435 Ca 0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 3r1r n GLN 435 Cb 0.70 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.08 3r1r n GLN 435 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3r1r n SER 436 N 0.00 0.78 -1.66 2.61 2.88 -1.26 -4.50 113.62 112.47 3r1r n SER 436 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3r1r n SER 436 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3r1r n SER 436 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3r1r n ASN 437 N -0.01 1.04 -0.03 -3.46 6.94 -1.25 -4.71 115.26 113.78 3r1r n ASN 437 Ca 0.00 -0.83 -0.11 0.00 -0.02 0.00 0.00 54.58 53.62 3r1r n ASN 437 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 3r1r n ASN 437 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3r1r h LEU 438 N 0.00 -1.26 -2.41 -4.53 5.85 -1.87 -2.56 115.31 108.53 3r1r h LEU 438 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3r1r h LEU 438 Cb 0.00 0.53 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3r1r h LEU 438 CO 0.00 -0.40 0.00 0.00 -0.34 0.00 0.00 178.44 177.70 3r1r n LEU 440 N 0.48 -1.62 -0.01 0.00 7.99 -0.97 -4.56 117.00 118.32 3r1r n LEU 440 Ca 0.17 -0.03 0.02 0.00 -0.01 0.00 0.00 56.01 56.16 3r1r n LEU 440 Cb 0.75 -2.44 -0.05 0.00 -0.11 0.00 0.00 43.42 41.57 3r1r n LEU 440 CO 0.18 -0.04 -0.61 -1.84 -1.51 0.00 0.00 177.39 173.57 3r1r n GLU 441 N -3.20 0.92 -2.89 3.23 0.00 -1.26 -4.34 120.64 113.10 3r1r n GLU 441 Ca -0.14 -0.05 -0.39 0.00 0.00 0.00 0.00 57.16 56.59 3r1r n GLU 441 Cb 0.62 -1.16 -0.06 0.00 0.00 0.00 0.00 31.44 30.84 3r1r n GLU 441 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3r1r s ILE 442 N -2.38 4.28 -0.30 3.84 -1.09 -1.26 -1.08 121.20 123.21 3r1r s ILE 442 Ca -0.03 1.77 -0.01 0.00 -2.23 0.00 0.00 60.65 60.15 3r1r s ILE 442 Cb 0.04 -4.12 0.13 0.00 -1.58 0.00 0.00 42.46 36.92 3r1r s ILE 442 CO 0.27 0.38 0.24 0.00 -1.23 0.00 0.00 174.94 174.61 3r1r s ALA 443 N -1.32 -0.02 0.06 9.38 0.00 -1.26 -3.77 121.76 124.84 3r1r s ALA 443 Ca 0.41 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3r1r s ALA 443 Cb -0.22 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 3r1r s ALA 443 CO 0.26 -1.76 0.08 -0.51 0.00 0.00 0.00 175.76 173.84 3r1r s LEU 444 N 2.11 1.93 0.54 0.00 1.43 -1.26 -4.82 118.68 118.61 3r1r s LEU 444 Ca 0.10 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.27 3r1r s LEU 444 Cb -0.15 0.59 -0.06 0.00 0.03 0.00 0.00 46.19 46.60 3r1r s LEU 444 CO -0.29 -0.61 1.16 -2.84 0.23 0.00 0.00 176.35 173.99 3r1r s PRO 445 N -3.45 3.35 -0.02 1.29 0.02 -1.26 -4.49 135.00 130.43 3r1r s PRO 445 Ca 0.02 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 62.61 3r1r s PRO 445 Cb 0.04 -2.07 0.02 0.00 0.02 0.00 0.00 34.50 32.51 3r1r s PRO 445 CO -0.08 -0.87 0.27 0.95 -0.33 0.00 0.00 177.00 176.93 3r1r s THR 446 N -1.68 0.06 -0.02 0.99 -4.23 -1.26 -4.36 115.64 105.13 3r1r s THR 446 Ca 0.72 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 3r1r s THR 446 Cb -0.26 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.02 3r1r s THR 446 CO 0.30 -0.27 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.50 3r1r s LYS 447 N -1.24 0.76 0.54 3.99 1.02 -0.32 -4.90 119.74 119.60 3r1r s LYS 447 Ca -0.13 -0.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.41 3r1r s LYS 447 Cb -0.06 -0.74 -0.05 0.00 -0.52 0.00 0.00 37.83 36.47 3r1r s LYS 447 CO 0.03 0.08 1.30 -1.25 -0.92 0.00 0.00 175.35 174.60 3r1r s PRO 448 N 0.21 3.19 0.31 -1.68 0.04 -1.26 -0.72 135.00 135.09 3r1r s PRO 448 Ca -0.03 2.10 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 3r1r s PRO 448 Cb -0.08 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3r1r s PRO 448 CO 0.00 -1.11 0.58 -0.51 0.04 0.00 0.00 177.00 176.00 3r1r s LEU 449 N -3.55 4.03 0.00 -3.56 1.02 -1.26 -4.37 118.68 110.99 3r1r s LEU 449 Ca 0.72 0.74 0.08 0.00 0.02 0.00 0.00 54.13 55.68 3r1r s LEU 449 Cb -0.37 -3.56 0.18 0.00 0.02 0.00 0.00 46.19 42.46 3r1r s LEU 449 CO 0.43 -0.23 1.08 0.59 0.02 0.00 0.00 176.35 178.25 3r1r n ASN 450 N -1.05 2.44 -3.61 2.29 3.02 -1.26 -4.23 115.26 112.86 3r1r n ASN 450 Ca -0.01 -1.84 -0.04 0.00 -0.03 0.00 0.00 54.58 52.65 3r1r n ASN 450 Cb 0.54 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 3r1r n ASN 450 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3r1r s ASP 451 N -0.92 -0.13 0.16 6.41 2.15 -1.26 -4.59 116.67 118.48 3r1r s ASP 451 Ca 0.15 0.07 -0.16 0.00 0.43 0.00 0.00 52.55 53.03 3r1r s ASP 451 Cb 0.08 0.13 0.09 0.00 -0.30 0.00 0.00 42.92 42.92 3r1r s ASP 451 CO 0.11 -0.18 1.70 0.58 -0.17 0.00 0.00 175.17 177.21 3r1r h VAL 452 N 2.09 0.70 -0.36 1.11 2.07 -1.92 -2.33 116.25 117.62 3r1r h VAL 452 Ca -0.10 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3r1r h VAL 452 Cb 1.17 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3r1r h VAL 452 CO 0.23 0.02 0.00 0.59 0.02 0.00 0.00 177.57 178.43 3r1r n ASN 453 N -5.21 3.60 -4.68 0.57 3.02 -1.26 -4.61 115.26 106.70 3r1r n ASN 453 Ca 0.02 -2.47 -0.49 0.00 -0.03 0.00 0.00 54.58 51.61 3r1r n ASN 453 Cb 0.20 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 3r1r n ASN 453 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3r1r n ASP 454 N 0.45 3.15 -0.00 6.41 -0.08 -0.88 -4.81 116.55 120.79 3r1r n ASP 454 Ca 0.16 1.01 0.14 0.00 -1.51 0.00 0.00 54.79 54.59 3r1r n ASP 454 Cb 0.75 -1.34 0.56 0.00 2.34 0.00 0.00 41.12 43.42 3r1r n ASP 454 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3r1r n GLU 455 N 5.67 0.02 -0.08 -0.67 -0.58 -1.26 -3.13 120.64 120.61 3r1r n GLU 455 Ca 0.22 -0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 3r1r n GLU 455 Cb 0.27 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.81 3r1r n GLU 455 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3r1r n ASN 456 N -1.48 3.07 -4.91 1.62 4.13 -1.26 -4.85 115.26 111.58 3r1r n ASN 456 Ca 0.07 -1.96 -0.28 0.00 1.68 0.00 0.00 54.58 54.09 3r1r n ASN 456 Cb 0.34 -0.10 0.04 0.00 -1.54 0.00 0.00 39.78 38.51 3r1r n ASN 456 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3r1r s GLY 457 N -1.78 1.62 -0.06 7.41 0.00 -1.19 -4.87 107.32 108.45 3r1r s GLY 457 Ca 0.33 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 3r1r s GLY 457 CO 0.31 -0.26 0.12 1.85 0.00 0.00 0.00 173.10 175.11 3r1r s GLU 458 N -5.16 0.01 -0.14 2.90 2.12 0.11 -4.46 118.70 114.08 3r1r s GLU 458 Ca 0.56 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 3r1r s GLU 458 Cb -0.11 -0.29 -0.02 0.00 0.26 0.00 0.00 34.13 33.97 3r1r s GLU 458 CO 0.47 -0.25 -0.10 0.42 -0.54 0.00 0.00 175.26 175.26 3r1r s ILE 459 N 1.79 3.29 0.34 -3.70 1.01 -0.90 -1.17 121.20 121.86 3r1r s ILE 459 Ca -0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 3r1r s ILE 459 Cb -0.12 -2.40 -0.08 0.00 0.01 0.00 0.00 42.46 39.86 3r1r s ILE 459 CO -0.05 0.51 0.75 0.00 0.00 0.00 0.00 174.94 176.15 3r1r s ALA 460 N 0.41 3.32 0.33 9.38 0.00 -0.92 -4.38 121.76 129.90 3r1r s ALA 460 Ca -0.08 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.91 3r1r s ALA 460 Cb -0.15 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 3r1r s ALA 460 CO 0.04 0.25 0.04 -0.51 0.00 0.00 0.00 175.76 175.58 3r1r s LEU 461 N -3.20 2.30 -0.30 0.00 1.43 -1.26 -0.82 118.68 116.83 3r1r s LEU 461 Ca 0.54 -1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.25 3r1r s LEU 461 Cb -0.10 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.69 3r1r s LEU 461 CO 0.21 -0.56 0.02 0.00 0.23 0.00 0.00 176.35 176.25 3r1r s THR 463 N 1.32 3.94 0.42 0.00 2.01 -1.26 -4.30 115.64 117.77 3r1r s THR 463 Ca -0.03 -2.37 0.07 0.00 0.31 0.00 0.00 61.69 59.67 3r1r s THR 463 Cb -0.19 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3r1r s THR 463 CO -0.00 -0.82 0.27 -0.76 -0.69 0.00 0.00 174.62 172.62 3r1r s LEU 464 N 0.64 3.23 0.02 4.42 1.43 -1.26 -0.58 118.68 126.58 3r1r s LEU 464 Ca 0.12 -0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 52.01 3r1r s LEU 464 Cb -0.21 -1.70 0.09 0.00 0.03 0.00 0.00 46.19 44.40 3r1r s LEU 464 CO -0.03 -0.60 1.23 -0.55 0.23 0.00 0.00 176.35 176.63 3r1r s SER 465 N -4.01 -0.00 -0.18 2.29 0.15 -1.14 -4.48 113.70 106.33 3r1r s SER 465 Ca 0.44 -0.29 -0.28 0.00 0.70 0.00 0.00 55.95 56.52 3r1r s SER 465 Cb 0.01 0.22 0.10 0.00 -1.71 0.00 0.00 66.02 64.64 3r1r s SER 465 CO 0.25 -0.44 0.86 0.00 1.20 0.00 0.00 173.24 175.12 3r1r s ALA 466 N -2.11 -1.87 0.09 5.45 0.00 -0.72 -1.55 121.76 121.06 3r1r s ALA 466 Ca 0.26 1.66 -0.22 0.00 0.00 0.00 0.00 51.96 53.66 3r1r s ALA 466 Cb -0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.28 3r1r s ALA 466 CO 0.00 -0.31 0.66 -0.06 0.00 0.00 0.00 175.76 176.05 3r1r s PHE 467 N -0.53 3.81 -0.56 0.00 0.08 0.13 0.41 117.98 121.31 3r1r s PHE 467 Ca -0.03 1.40 -0.22 0.00 0.12 0.00 0.00 56.93 58.21 3r1r s PHE 467 Cb -0.02 -2.64 0.06 0.00 -0.57 0.00 0.00 43.02 39.84 3r1r s PHE 467 CO 0.02 0.49 0.83 1.21 -0.10 0.00 0.00 175.22 177.67 3r1r s ASN 468 N -0.84 6.25 0.09 1.36 3.84 -0.38 -1.62 114.94 123.63 3r1r s ASN 468 Ca 0.33 -0.75 0.15 0.00 0.21 0.00 0.00 52.86 52.80 3r1r s ASN 468 Cb -0.21 -2.38 0.66 0.00 -0.55 0.00 0.00 41.25 38.78 3r1r s ASN 468 CO 0.22 -1.16 1.48 0.18 -2.79 0.00 0.00 177.10 175.02 3r1r n LEU 469 N 7.02 0.21 0.07 3.21 4.77 -1.08 -1.31 117.00 129.89 3r1r n LEU 469 Ca -0.03 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 3r1r n LEU 469 Cb 0.46 -0.54 0.24 0.00 -2.33 0.00 0.00 43.42 41.25 3r1r n LEU 469 CO 0.60 -0.42 0.50 0.61 -1.33 0.00 0.00 177.39 177.36 3r1r n GLY 470 N -0.31 -1.48 0.60 -0.72 0.00 -1.26 -4.16 105.19 97.87 3r1r n GLY 470 Ca 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3r1r n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3r1r n ALA 471 N -1.79 2.47 -2.88 4.61 0.00 -0.43 -4.97 120.51 117.53 3r1r n ALA 471 Ca 0.04 -0.64 -0.26 0.00 0.00 0.00 0.00 53.44 52.58 3r1r n ALA 471 Cb 0.43 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 3r1r n ALA 471 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3r1r s ILE 472 N -1.22 4.92 -0.21 0.00 -4.36 -1.23 -4.89 121.20 114.21 3r1r s ILE 472 Ca 0.18 -0.88 0.05 0.00 -0.26 0.00 0.00 60.65 59.74 3r1r s ILE 472 Cb 0.12 -3.53 -0.21 0.00 1.25 0.00 0.00 42.46 40.10 3r1r s ILE 472 CO 0.19 -0.10 0.01 0.59 0.24 0.00 0.00 174.94 175.86 3r1r n ASN 473 N -0.46 1.46 -4.26 4.36 3.02 -1.26 -4.99 115.26 113.13 3r1r n ASN 473 Ca -0.08 -0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.32 3r1r n ASN 473 Cb 0.54 -0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.48 3r1r n ASN 473 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3r1r s ASN 474 N -6.34 1.22 0.24 6.41 6.03 -1.26 -5.04 114.94 116.21 3r1r s ASN 474 Ca -0.25 -1.23 0.24 0.00 -1.03 0.00 0.00 52.86 50.59 3r1r s ASN 474 Cb 0.08 0.13 0.95 0.00 -3.03 0.00 0.00 41.25 39.37 3r1r s ASN 474 CO 0.70 -0.61 1.72 0.18 -2.03 0.00 0.00 177.10 177.06 3r1r n LEU 475 N -0.31 0.68 0.00 3.54 4.77 -1.26 -2.52 117.00 121.90 3r1r n LEU 475 Ca -0.05 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 3r1r n LEU 475 Cb 0.64 -0.53 0.60 0.00 -2.33 0.00 0.00 43.42 41.80 3r1r n LEU 475 CO 0.35 -0.48 0.92 0.47 -1.33 0.00 0.00 177.39 177.32 3r1r n ASP 476 N -2.23 0.00 0.21 -1.43 8.00 -1.26 -1.64 116.55 118.20 3r1r n ASP 476 Ca 0.03 0.26 0.14 0.00 0.71 0.00 0.00 54.79 55.93 3r1r n ASP 476 Cb 0.27 -0.41 0.48 0.00 -0.02 0.00 0.00 41.12 41.43 3r1r n ASP 476 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3r1r h GLU 477 N 0.00 0.00 0.00 -1.24 5.08 -1.92 -2.96 114.58 113.54 3r1r h GLU 477 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3r1r h GLU 477 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3r1r h GLU 477 CO 0.00 0.00 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.87 3r1r h LEU 478 N 0.00 0.00 -0.17 1.33 3.38 -1.52 -2.38 115.31 115.95 3r1r h LEU 478 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3r1r h LEU 478 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3r1r h LEU 478 CO 0.00 0.07 0.10 -0.08 0.09 0.00 0.00 178.44 178.62 3r1r h GLU 479 N 0.00 0.23 -0.02 1.13 4.81 -1.71 1.06 114.58 120.08 3r1r h GLU 479 Ca -0.00 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 3r1r h GLU 479 Cb 0.54 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.89 3r1r h GLU 479 CO 0.01 0.21 -0.96 1.05 -0.73 0.00 0.00 179.01 178.59 3r1r h GLU 480 N 0.19 0.69 -0.83 1.92 9.09 -1.74 -2.45 114.58 121.45 3r1r h GLU 480 Ca 0.06 -0.71 0.03 0.00 0.05 0.00 0.00 59.36 58.79 3r1r h GLU 480 Cb 0.04 0.20 -0.05 0.00 -1.65 0.00 0.00 28.75 27.28 3r1r h GLU 480 CO -0.01 1.30 0.53 -0.07 0.05 0.00 0.00 179.01 180.81 3r1r h LEU 481 N 0.37 0.88 -0.40 3.06 3.38 -1.25 -0.53 115.31 120.82 3r1r h LEU 481 Ca -0.11 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3r1r h LEU 481 Cb 1.62 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 3r1r h LEU 481 CO 0.19 0.61 -0.10 0.00 0.09 0.00 0.00 178.44 179.22 3r1r h ALA 482 N 1.35 0.55 -0.20 1.53 0.00 0.12 0.17 119.26 122.79 3r1r h ALA 482 Ca 0.33 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3r1r h ALA 482 Cb 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 3r1r h ALA 482 CO -0.12 0.43 -0.49 0.82 0.00 0.00 0.00 179.25 179.90 3r1r h ILE 483 N 0.59 0.06 -0.25 0.00 2.04 -0.89 0.90 117.51 119.97 3r1r h ILE 483 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 3r1r h ILE 483 Cb 0.63 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3r1r h ILE 483 CO 0.04 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 178.27 3r1r h LEU 484 N -0.50 0.24 -0.14 1.44 -0.00 -0.94 -0.01 115.31 115.41 3r1r h LEU 484 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3r1r h LEU 484 Cb 0.65 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 3r1r h LEU 484 CO -0.46 0.18 0.08 0.00 -0.00 0.00 0.00 178.44 178.24 3r1r h ALA 485 N 1.11 0.18 -0.35 1.53 0.00 -0.56 -1.65 119.26 119.51 3r1r h ALA 485 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3r1r h ALA 485 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3r1r h ALA 485 CO -0.04 -0.28 0.14 0.28 0.00 0.00 0.00 179.25 179.35 3r1r h VAL 486 N 0.13 1.19 -0.58 0.00 2.07 -0.78 -2.80 116.25 115.48 3r1r h VAL 486 Ca 0.05 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3r1r h VAL 486 Cb 0.08 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3r1r h VAL 486 CO -0.01 0.20 0.18 0.03 0.02 0.00 0.00 177.57 177.99 3r1r h ARG 487 N 0.43 0.87 -0.24 1.57 3.08 -0.94 -1.75 114.38 117.39 3r1r h ARG 487 Ca 0.12 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3r1r h ARG 487 Cb 0.18 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3r1r h ARG 487 CO -0.01 0.75 -0.39 0.00 -1.07 0.00 0.00 179.97 179.25 3r1r h ALA 488 N 1.35 0.37 -0.28 0.04 0.00 -1.21 -2.45 119.26 117.07 3r1r h ALA 488 Ca 0.19 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3r1r h ALA 488 Cb 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3r1r h ALA 488 CO -0.01 0.46 -0.28 -0.07 0.00 0.00 0.00 179.25 179.35 3r1r h LEU 489 N 0.40 0.73 -0.89 0.00 3.38 -1.41 -0.81 115.31 116.70 3r1r h LEU 489 Ca 0.02 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.62 3r1r h LEU 489 Cb 0.98 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 3r1r h LEU 489 CO 0.09 1.05 0.54 -0.78 0.09 0.00 0.00 178.44 179.43 3r1r h ASP 490 N 0.42 0.78 -0.31 -0.43 3.58 -1.38 0.21 116.42 119.30 3r1r h ASP 490 Ca 0.05 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3r1r h ASP 490 Cb 0.84 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 3r1r h ASP 490 CO 0.07 0.44 0.13 0.00 -2.88 0.00 0.00 179.24 177.01 3r1r h ALA 491 N 1.48 0.40 -0.43 -0.78 0.00 -1.20 -2.88 119.26 115.86 3r1r h ALA 491 Ca 0.43 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3r1r h ALA 491 Cb 0.38 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 3r1r h ALA 491 CO -0.25 -0.01 -0.15 1.25 0.00 0.00 0.00 179.25 180.09 3r1r h LEU 492 N 0.36 -0.54 -0.89 0.00 5.85 0.78 0.14 115.31 121.02 3r1r h LEU 492 Ca 0.11 0.14 0.24 0.00 0.84 0.00 0.00 57.88 59.21 3r1r h LEU 492 Cb 0.16 0.32 -0.15 0.00 0.37 0.00 0.00 40.66 41.36 3r1r h LEU 492 CO -0.01 -0.19 0.19 -0.07 -0.34 0.00 0.00 178.44 178.02 3r1r h LEU 493 N -0.06 -0.09 -0.08 2.25 3.38 -0.57 0.62 115.31 120.76 3r1r h LEU 493 Ca 0.21 0.21 -0.14 0.00 0.09 0.00 0.00 57.88 58.25 3r1r h LEU 493 Cb 0.38 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3r1r h LEU 493 CO -0.47 -0.20 -0.66 0.44 0.09 0.00 0.00 178.44 177.64 3r1r h ASP 494 N 0.16 0.00 -0.12 -0.43 3.32 -1.04 -3.35 116.42 114.97 3r1r h ASP 494 Ca 0.55 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.60 3r1r h ASP 494 Cb 1.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3r1r h ASP 494 CO -0.70 0.66 0.05 0.22 -1.72 0.00 0.00 179.24 177.75 3r1r h TYR 495 N 0.00 0.18 -4.35 4.55 3.20 0.27 -3.46 116.97 117.36 3r1r h TYR 495 Ca -0.01 -0.01 -0.48 0.00 3.14 0.00 0.00 58.73 61.37 3r1r h TYR 495 Cb 1.48 -0.05 0.09 0.00 1.54 0.00 0.00 36.73 39.78 3r1r h TYR 495 CO 0.00 0.27 0.36 1.14 -1.64 0.00 0.00 178.16 178.30 3r1r s GLN 496 N -5.54 2.38 0.11 1.82 -2.07 -0.39 -5.02 119.66 110.96 3r1r s GLN 496 Ca -0.14 0.16 -0.01 0.00 -1.82 0.00 0.00 55.36 53.55 3r1r s GLN 496 Cb 0.06 -2.04 -0.04 0.00 -1.09 0.00 0.00 33.01 29.90 3r1r s GLN 496 CO 0.69 -1.27 0.28 -0.51 -1.32 0.00 0.00 175.29 173.16 3r1r s ASP 497 N -4.47 6.40 -0.25 12.60 1.01 -0.54 -5.00 116.67 126.41 3r1r s ASP 497 Ca 0.60 0.36 0.01 0.00 0.71 0.00 0.00 52.55 54.22 3r1r s ASP 497 Cb -0.11 -1.99 0.04 0.00 1.01 0.00 0.00 42.92 41.87 3r1r s ASP 497 CO 0.49 0.10 -0.10 -0.31 0.21 0.00 0.00 175.17 175.56 3r1r s TYR 498 N -1.62 3.12 0.32 4.23 2.02 -1.26 -4.84 117.35 119.32 3r1r s TYR 498 Ca 0.37 -1.91 0.18 0.00 -0.37 0.00 0.00 57.07 55.33 3r1r s TYR 498 Cb -0.12 -1.99 0.86 0.00 -0.40 0.00 0.00 41.96 40.30 3r1r s TYR 498 CO 0.27 -0.81 1.85 -1.00 -1.57 0.00 0.00 175.55 174.29 3r1r h PRO 499 N 7.91 0.00 -4.68 -1.71 0.13 -1.99 -3.42 132.00 128.23 3r1r h PRO 499 Ca -0.28 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.29 3r1r h PRO 499 Cb 1.08 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.87 3r1r h PRO 499 CO 0.54 0.32 -0.83 0.42 -0.23 0.00 0.00 178.00 178.22 3r1r s ILE 500 N -4.02 1.37 0.18 -3.56 1.01 -1.26 -5.05 121.20 109.87 3r1r s ILE 500 Ca -0.02 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 3r1r s ILE 500 Cb 0.13 -1.25 0.12 0.00 0.01 0.00 0.00 42.46 41.48 3r1r s ILE 500 CO 0.68 0.41 1.34 -2.65 0.00 0.00 0.00 174.94 174.72 3r1r n PRO 501 N 4.02 -0.26 -0.29 2.79 -0.02 -1.26 0.08 135.00 140.05 3r1r n PRO 501 Ca -0.20 1.32 0.18 0.00 -2.02 0.00 0.00 63.50 62.78 3r1r n PRO 501 Cb 0.52 -1.95 0.45 0.00 -0.02 0.00 0.00 33.50 32.49 3r1r n PRO 501 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3r1r h ALA 502 N 0.95 2.04 -0.18 3.55 0.00 -1.78 0.74 119.26 124.58 3r1r h ALA 502 Ca 0.25 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3r1r h ALA 502 Cb 0.46 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3r1r h ALA 502 CO -0.84 -0.38 -0.22 0.00 0.00 0.00 0.00 179.25 177.81 3r1r h ALA 503 N 1.62 0.27 0.01 0.00 0.00 -0.56 -2.32 119.26 118.29 3r1r h ALA 503 Ca 0.52 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3r1r h ALA 503 Cb 1.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3r1r h ALA 503 CO -0.26 0.23 -0.14 -0.22 0.00 0.00 0.00 179.25 178.86 3r1r h LYS 504 N 0.13 -0.24 -0.98 0.00 3.64 -0.86 -2.07 116.57 116.19 3r1r h LYS 504 Ca 0.02 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 3r1r h LYS 504 Cb 0.78 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.51 3r1r h LYS 504 CO 0.05 -0.16 -0.44 0.00 -2.27 0.00 0.00 179.45 176.64 3r1r h ARG 505 N -0.25 -0.01 -0.26 1.90 2.47 -0.85 0.94 114.38 118.33 3r1r h ARG 505 Ca 0.04 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.61 3r1r h ARG 505 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 3r1r h ARG 505 CO -0.13 -0.01 -0.45 0.78 0.56 0.00 0.00 179.97 180.72 3r1r h GLY 506 N -0.01 0.73 0.99 0.04 0.00 -1.35 0.16 103.07 103.63 3r1r h GLY 506 Ca 0.30 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3r1r h GLY 506 CO -0.96 0.70 -0.27 0.00 0.00 0.00 0.00 176.54 176.00 3r1r h ALA 507 N 0.96 -0.75 -0.35 3.60 0.00 -0.20 -1.34 119.26 121.18 3r1r h ALA 507 Ca 0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3r1r h ALA 507 Cb 0.99 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3r1r h ALA 507 CO 0.09 -0.92 -0.42 0.52 0.00 0.00 0.00 179.25 178.52 3r1r h MET 508 N -0.75 0.87 0.23 0.00 2.86 -1.01 0.54 114.93 117.67 3r1r h MET 508 Ca -0.07 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 3r1r h MET 508 Cb 0.58 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 3r1r h MET 508 CO 0.11 1.11 -0.49 0.78 1.06 0.00 0.00 176.91 179.49 3r1r h GLY 509 N 0.82 -1.19 0.00 8.32 0.00 -0.56 -3.35 103.07 107.10 3r1r h GLY 509 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3r1r h GLY 509 CO 0.10 -0.31 -0.65 0.54 0.00 0.00 0.00 176.54 176.21 3r1r n ARG 510 N -5.30 2.90 -4.24 4.80 1.74 -0.52 -0.71 116.66 115.33 3r1r n ARG 510 Ca -0.09 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.66 3r1r n ARG 510 Cb 0.40 -1.07 -0.07 0.00 -1.02 0.00 0.00 32.46 30.71 3r1r n ARG 510 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3r1r n ARG 511 N -1.34 -1.84 -2.60 5.56 1.74 0.19 -1.40 116.66 116.96 3r1r n ARG 511 Ca 0.02 0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.90 3r1r n ARG 511 Cb 0.19 -4.21 -0.03 0.00 -1.02 0.00 0.00 32.46 27.39 3r1r n ARG 511 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3r1r s THR 512 N -3.96 4.56 0.33 0.55 -4.23 -1.26 -4.02 115.64 107.60 3r1r s THR 512 Ca 0.23 1.84 0.09 0.00 -1.18 0.00 0.00 61.69 62.66 3r1r s THR 512 Cb -0.13 -4.18 -0.05 0.00 1.34 0.00 0.00 72.50 69.48 3r1r s THR 512 CO 0.96 0.12 0.01 -0.76 -0.54 0.00 0.00 174.62 174.41 3r1r s LEU 513 N 1.21 3.00 -0.35 4.79 1.43 -0.26 -4.44 118.68 124.06 3r1r s LEU 513 Ca 0.54 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3r1r s LEU 513 Cb -0.24 -1.41 0.14 0.00 0.03 0.00 0.00 46.19 44.71 3r1r s LEU 513 CO 0.27 -0.19 0.24 -0.83 0.23 0.00 0.00 176.35 176.07 3r1r s GLY 514 N -3.71 0.56 -0.16 -3.19 0.00 0.26 -3.10 107.32 97.98 3r1r s GLY 514 Ca 0.34 -1.51 -0.05 0.00 0.00 0.00 0.00 44.72 43.50 3r1r s GLY 514 CO 0.19 2.27 0.02 -0.42 0.00 0.00 0.00 173.10 175.16 3r1r s ILE 515 N 1.32 4.42 0.00 0.90 1.01 0.12 -2.88 121.20 126.09 3r1r s ILE 515 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3r1r s ILE 515 Cb -0.20 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3r1r s ILE 515 CO -0.05 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3r1r n GLY 516 N 3.35 5.87 3.62 6.18 0.00 -0.60 -1.30 105.19 122.32 3r1r n GLY 516 Ca -0.17 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 3r1r n GLY 516 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3r1r s VAL 517 N -0.48 2.67 0.11 1.61 -7.23 -1.26 0.17 120.40 115.99 3r1r s VAL 517 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3r1r s VAL 517 Cb 0.00 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 3r1r s VAL 517 CO 0.00 -0.22 -0.05 0.27 -0.31 0.00 0.00 175.10 174.79 3r1r s ILE 518 N -2.51 0.70 -0.20 -0.62 -4.36 -0.64 -4.25 121.20 109.31 3r1r s ILE 518 Ca 0.34 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 3r1r s ILE 518 Cb -0.01 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.94 3r1r s ILE 518 CO 0.19 -0.80 0.00 -3.20 0.24 0.00 0.00 174.94 171.37 3r1r n ASN 519 N -0.08 -3.37 0.05 4.36 2.85 0.82 -2.62 115.26 117.27 3r1r n ASN 519 Ca -0.11 0.05 -0.11 0.00 -0.11 0.00 0.00 54.58 54.30 3r1r n ASN 519 Cb 0.61 -1.04 -0.04 0.00 1.24 0.00 0.00 39.78 40.55 3r1r n ASN 519 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3r1r h PHE 520 N 0.00 -0.70 -0.55 1.20 3.57 -1.66 -1.75 116.94 117.04 3r1r h PHE 520 Ca -0.04 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 3r1r h PHE 520 Cb 0.17 0.31 -0.11 0.00 2.79 0.00 0.00 35.95 39.12 3r1r h PHE 520 CO 0.08 -0.35 -0.26 0.00 -2.23 0.00 0.00 178.31 175.55 3r1r h ALA 521 N 0.45 0.10 -0.59 2.41 0.00 -1.79 -0.24 119.26 119.60 3r1r h ALA 521 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3r1r h ALA 521 Cb 0.48 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3r1r h ALA 521 CO -0.25 -0.59 0.38 -0.92 0.00 0.00 0.00 179.25 177.87 3r1r h TYR 522 N -0.12 0.76 -0.03 0.00 3.20 -1.86 -0.36 116.97 118.55 3r1r h TYR 522 Ca 0.24 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3r1r h TYR 522 Cb 0.51 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3r1r h TYR 522 CO -0.56 0.50 -0.13 -0.92 -1.64 0.00 0.00 178.16 175.40 3r1r h TYR 523 N 0.80 -0.34 -0.87 -3.82 3.20 -0.20 0.21 116.97 115.95 3r1r h TYR 523 Ca 0.22 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3r1r h TYR 523 Cb -0.06 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 3r1r h TYR 523 CO -0.03 -0.20 0.55 -0.07 -1.64 0.00 0.00 178.16 176.77 3r1r h LEU 524 N -0.21 0.90 -0.18 2.82 3.38 -0.76 -0.73 115.31 120.53 3r1r h LEU 524 Ca 0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3r1r h LEU 524 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3r1r h LEU 524 CO -0.16 0.60 0.09 0.00 0.09 0.00 0.00 178.44 179.07 3r1r h ALA 525 N 1.38 0.21 -1.00 1.53 0.00 -0.22 -0.28 119.26 120.88 3r1r h ALA 525 Ca 0.36 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.52 3r1r h ALA 525 Cb 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 3r1r h ALA 525 CO -0.14 -0.33 0.66 0.87 0.00 0.00 0.00 179.25 180.31 3r1r h LYS 526 N 0.20 0.36 -0.65 0.00 1.57 0.83 0.35 116.57 119.23 3r1r h LYS 526 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3r1r h LYS 526 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3r1r h LYS 526 CO -0.04 0.24 0.00 0.72 -0.57 0.00 0.00 179.45 179.80 3r1r n HIS 527 N -4.55 1.46 -3.73 -1.35 8.25 -0.39 -4.97 115.22 109.95 3r1r n HIS 527 Ca 0.23 -0.61 -0.25 0.00 -0.26 0.00 0.00 57.72 56.83 3r1r n HIS 527 Cb 0.84 -0.23 0.05 0.00 1.12 0.00 0.00 29.99 31.77 3r1r n HIS 527 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3r1r n GLY 528 N 1.14 -0.46 3.80 -1.41 0.00 0.12 -5.01 105.19 103.38 3r1r n GLY 528 Ca 0.26 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 3r1r n GLY 528 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3r1r s LYS 529 N -6.29 2.33 0.39 1.61 -0.14 -0.33 -5.02 119.74 112.30 3r1r s LYS 529 Ca 0.46 -1.76 0.04 0.00 -1.36 0.00 0.00 55.97 53.34 3r1r s LYS 529 Cb -0.22 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 3r1r s LYS 529 CO 0.79 -0.20 0.13 1.03 -0.76 0.00 0.00 175.35 176.33 3r1r s ARG 530 N -4.02 1.86 -0.15 1.68 0.52 -1.26 -4.38 118.95 113.20 3r1r s ARG 530 Ca 0.42 -2.12 -0.10 0.00 -0.52 0.00 0.00 55.73 53.41 3r1r s ARG 530 Cb 0.01 -0.58 -0.24 0.00 0.52 0.00 0.00 34.95 34.66 3r1r s ARG 530 CO 0.24 -0.44 0.29 0.66 0.02 0.00 0.00 175.30 176.06 3r1r n TYR 531 N -0.85 1.13 0.21 -0.53 4.02 -1.26 -3.61 117.16 116.27 3r1r n TYR 531 Ca -0.05 0.29 0.09 0.00 -0.01 0.00 0.00 57.90 58.23 3r1r n TYR 531 Cb 0.65 -1.14 0.34 0.00 -0.02 0.00 0.00 39.34 39.17 3r1r n TYR 531 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3r1r h SER 532 N -0.21 0.00 -0.01 7.72 4.64 -1.92 -3.25 113.55 120.52 3r1r h SER 532 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3r1r h SER 532 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3r1r h SER 532 CO -0.00 0.23 -0.22 -0.90 -0.87 0.00 0.00 176.83 175.07 3r1r n ASP 533 N -3.28 2.38 0.00 4.97 5.68 -1.26 -3.91 116.55 121.13 3r1r n ASP 533 Ca 0.01 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3r1r n ASP 533 Cb 0.50 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 3r1r n ASP 533 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3r1r n GLY 534 N 1.37 0.82 0.30 6.12 0.00 -1.26 -4.92 105.19 107.62 3r1r n GLY 534 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 3r1r n GLY 534 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3r1r h SER 535 N 0.00 0.00 0.03 1.61 4.64 -1.87 -2.17 113.55 115.79 3r1r h SER 535 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3r1r h SER 535 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3r1r h SER 535 CO 0.00 0.01 -0.28 0.00 -0.87 0.00 0.00 176.83 175.69 3r1r n ALA 536 N -2.30 3.11 -0.03 5.18 0.00 -1.24 -4.69 120.51 120.55 3r1r n ALA 536 Ca -0.03 -0.59 -0.05 0.00 0.00 0.00 0.00 53.44 52.76 3r1r n ALA 536 Cb 0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 3r1r n ALA 536 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3r1r h ASN 537 N 2.77 -0.67 -0.88 0.00 4.21 -1.73 0.39 115.58 119.67 3r1r h ASN 537 Ca 0.00 0.08 0.02 0.00 1.21 0.00 0.00 56.30 57.61 3r1r h ASN 537 Cb 0.75 0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 38.17 3r1r h ASN 537 CO 0.00 -0.17 0.58 0.78 -1.29 0.00 0.00 177.43 177.33 3r1r h ASN 538 N -0.19 1.00 -0.39 5.81 2.35 -1.83 0.12 115.58 122.45 3r1r h ASN 538 Ca 0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3r1r h ASN 538 Cb 0.24 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3r1r h ASN 538 CO -0.19 0.71 0.21 0.25 -1.65 0.00 0.00 177.43 176.76 3r1r h LEU 539 N 1.17 0.49 -0.18 1.61 5.85 -1.79 0.36 115.31 122.82 3r1r h LEU 539 Ca 0.33 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3r1r h LEU 539 Cb -0.10 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3r1r h LEU 539 CO -0.08 0.45 -0.10 0.74 -0.34 0.00 0.00 178.44 179.11 3r1r h THR 540 N 0.50 0.69 -0.68 1.05 2.02 0.65 0.24 112.91 117.37 3r1r h THR 540 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 3r1r h THR 540 Cb 0.07 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 3r1r h THR 540 CO -0.02 0.00 0.39 -0.74 0.37 0.00 0.00 175.52 175.52 3r1r h HIS 541 N -0.09 0.73 0.21 3.16 -0.00 -0.01 0.03 115.15 119.18 3r1r h HIS 541 Ca 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3r1r h HIS 541 Cb 0.24 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.42 3r1r h HIS 541 CO -0.25 0.36 -0.13 -0.22 -0.00 0.00 0.00 177.93 177.69 3r1r h LYS 542 N 0.73 -0.32 -0.54 5.26 3.64 0.17 -2.32 116.57 123.19 3r1r h LYS 542 Ca 0.30 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3r1r h LYS 542 Cb 0.15 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3r1r h LYS 542 CO -0.17 -0.21 0.22 1.15 -2.27 0.00 0.00 179.45 178.17 3r1r h THR 543 N -0.33 1.22 0.00 1.00 2.02 0.10 -2.27 112.91 114.65 3r1r h THR 543 Ca -0.02 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 3r1r h THR 543 Cb 0.28 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3r1r h THR 543 CO 0.02 0.26 -0.68 -0.26 0.37 0.00 0.00 175.52 175.22 3r1r h PHE 544 N 0.73 0.00 0.02 3.16 0.04 -1.08 -2.05 116.94 117.76 3r1r h PHE 544 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3r1r h PHE 544 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3r1r h PHE 544 CO 0.01 0.68 -0.01 1.49 -0.60 0.00 0.00 178.31 179.88 3r1r h GLU 545 N 0.00 -0.02 -0.04 1.51 4.81 -1.25 0.01 114.58 119.59 3r1r h GLU 545 Ca -0.01 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3r1r h GLU 545 Cb 1.25 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.58 3r1r h GLU 545 CO 0.09 0.06 -0.41 0.00 -0.73 0.00 0.00 179.01 178.02 3r1r h ALA 546 N 0.89 -0.62 -0.33 2.92 0.00 -1.26 0.62 119.26 121.47 3r1r h ALA 546 Ca -0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3r1r h ALA 546 Cb 0.09 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3r1r h ALA 546 CO 0.00 -0.93 -0.36 0.82 0.00 0.00 0.00 179.25 178.78 3r1r h ILE 547 N -0.54 0.20 -0.49 0.00 2.04 -1.00 -0.88 117.51 116.84 3r1r h ILE 547 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3r1r h ILE 547 Cb 0.64 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3r1r h ILE 547 CO -0.34 0.00 0.19 -0.61 0.00 0.00 0.00 178.15 177.39 3r1r h GLN 548 N -0.32 0.74 0.38 2.37 5.75 -0.62 -1.94 115.11 121.47 3r1r h GLN 548 Ca 0.14 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3r1r h GLN 548 Cb 0.56 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 3r1r h GLN 548 CO -0.50 0.66 -0.43 -0.92 -2.65 0.00 0.00 178.83 174.99 3r1r h TYR 549 N 0.65 -1.18 -0.39 3.99 3.20 -0.28 -0.64 116.97 122.32 3r1r h TYR 549 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3r1r h TYR 549 Cb 0.21 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3r1r h TYR 549 CO 0.01 -0.58 0.18 1.88 -1.64 0.00 0.00 178.16 178.01 3r1r h TYR 550 N -0.84 0.52 -0.24 -3.82 0.05 -1.19 0.59 116.97 112.05 3r1r h TYR 550 Ca -0.03 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 3r1r h TYR 550 Cb 0.76 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3r1r h TYR 550 CO -0.25 0.40 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.18 3r1r h LEU 551 N 0.54 0.41 -0.64 3.88 3.38 -1.12 0.00 115.31 121.76 3r1r h LEU 551 Ca 0.14 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3r1r h LEU 551 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3r1r h LEU 551 CO -0.02 0.62 0.39 -0.07 0.09 0.00 0.00 178.44 179.46 3r1r h LEU 552 N 0.19 0.76 0.44 1.67 3.38 -0.74 -0.06 115.31 120.95 3r1r h LEU 552 Ca 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3r1r h LEU 552 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3r1r h LEU 552 CO 0.01 0.59 -0.39 0.50 0.09 0.00 0.00 178.44 179.25 3r1r h LYS 553 N 0.87 -0.78 -0.83 1.13 3.64 -0.75 0.28 116.57 120.13 3r1r h LYS 553 Ca 0.23 0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.87 3r1r h LYS 553 Cb -0.04 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 31.83 3r1r h LYS 553 CO -0.04 -0.52 0.19 0.00 -2.27 0.00 0.00 179.45 176.80 3r1r h ALA 554 N -1.17 1.12 -0.01 5.00 0.00 -0.66 0.52 119.26 124.07 3r1r h ALA 554 Ca -0.06 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3r1r h ALA 554 Cb 0.69 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3r1r h ALA 554 CO -0.02 -0.42 0.00 1.03 0.00 0.00 0.00 179.25 179.85 3r1r h SER 555 N 0.21 0.01 -0.41 0.00 0.87 -0.69 -0.62 113.55 112.91 3r1r h SER 555 Ca 0.50 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.95 3r1r h SER 555 Cb 0.95 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 3r1r h SER 555 CO -0.62 0.17 0.15 -1.13 -0.53 0.00 0.00 176.83 174.86 3r1r h ASN 556 N -0.14 0.16 -0.74 6.23 -0.00 0.28 0.88 115.58 122.24 3r1r h ASN 556 Ca 0.00 0.05 0.11 0.00 -0.00 0.00 0.00 56.30 56.46 3r1r h ASN 556 Cb 0.16 0.03 -0.08 0.00 -0.00 0.00 0.00 38.32 38.43 3r1r h ASN 556 CO -0.00 0.12 0.36 -0.33 -0.00 0.00 0.00 177.43 177.58 3r1r h GLU 557 N 0.31 0.56 -0.17 6.67 4.39 -0.06 -0.67 114.58 125.60 3r1r h GLU 557 Ca 0.19 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3r1r h GLU 557 Cb 0.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3r1r h GLU 557 CO -0.20 0.37 -0.21 1.25 -1.16 0.00 0.00 179.01 179.07 3r1r h LEU 558 N 0.58 0.29 -0.39 1.33 5.85 0.68 -2.60 115.31 121.04 3r1r h LEU 558 Ca 0.38 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 3r1r h LEU 558 Cb 0.45 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3r1r h LEU 558 CO -0.30 0.51 -0.06 0.00 -0.34 0.00 0.00 178.44 178.24 3r1r h ALA 559 N 1.52 0.53 0.09 1.25 0.00 0.60 0.32 119.26 123.57 3r1r h ALA 559 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3r1r h ALA 559 Cb 0.52 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3r1r h ALA 559 CO 0.04 0.37 -0.46 0.87 0.00 0.00 0.00 179.25 180.07 3r1r h LYS 560 N 0.55 -0.65 0.52 0.00 1.57 -1.23 2.11 116.57 119.44 3r1r h LYS 560 Ca 0.10 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3r1r h LYS 560 Cb 0.57 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3r1r h LYS 560 CO 0.03 -0.43 -0.48 1.49 -0.57 0.00 0.00 179.45 179.49 3r1r h GLU 561 N -0.67 -0.95 -0.03 3.15 4.81 -1.23 -3.37 114.58 116.29 3r1r h GLU 561 Ca 0.02 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3r1r h GLU 561 Cb 0.70 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3r1r h GLU 561 CO -0.28 -0.64 0.00 1.04 -0.73 0.00 0.00 179.01 178.41 3r1r n GLN 562 N -5.56 0.24 0.00 1.92 6.02 0.11 -5.11 117.38 115.01 3r1r n GLN 562 Ca -0.12 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.96 3r1r n GLN 562 Cb 0.45 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.65 3r1r n GLN 562 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3r1r n GLY 563 N 0.09 0.53 3.70 1.08 0.00 0.71 -4.98 105.19 106.33 3r1r n GLY 563 Ca 0.02 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 3r1r n GLY 563 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3r1r s ALA 564 N -1.46 1.53 0.51 4.61 0.00 -1.26 -4.59 121.76 121.10 3r1r s ALA 564 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 3r1r s ALA 564 Cb 0.00 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 3r1r s ALA 564 CO 0.00 -2.44 1.26 0.00 0.00 0.00 0.00 175.76 174.58 3r1r h PRO 566 N 1.69 -0.06 -0.92 0.00 0.11 -1.72 0.14 132.00 131.23 3r1r h PRO 566 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3r1r h PRO 566 Cb 1.28 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 3r1r h PRO 566 CO 0.58 -0.04 0.08 0.91 -0.21 0.00 0.00 178.00 179.32 3r1r n TRP 567 N -5.39 0.76 -0.28 0.65 8.01 0.11 -4.48 117.44 116.82 3r1r n TRP 567 Ca 0.06 -0.49 0.18 0.00 -1.31 0.00 0.00 57.50 55.94 3r1r n TRP 567 Cb 0.35 -0.32 0.47 0.00 -2.01 0.00 0.00 31.31 29.80 3r1r n TRP 567 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 3r1r h PHE 568 N 0.88 0.66 0.00 -5.99 3.57 -0.94 -0.82 116.94 114.31 3r1r h PHE 568 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3r1r h PHE 568 Cb 1.20 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3r1r h PHE 568 CO 0.40 0.16 0.00 0.27 -2.23 0.00 0.00 178.31 176.91 3r1r n ASN 569 N -4.57 0.12 -0.47 0.41 0.23 -1.26 -1.47 115.26 108.25 3r1r n ASN 569 Ca 0.21 0.55 0.13 0.00 -0.53 0.00 0.00 54.58 54.94 3r1r n ASN 569 Cb 0.70 -0.57 0.31 0.00 -2.08 0.00 0.00 39.78 38.14 3r1r n ASN 569 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3r1r n GLU 570 N -1.66 1.39 -2.81 -3.83 1.02 -0.31 -4.89 120.64 109.55 3r1r n GLU 570 Ca 0.00 -0.95 -0.32 0.00 -0.02 0.00 0.00 57.16 55.87 3r1r n GLU 570 Cb 0.02 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 3r1r n GLU 570 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3r1r s THR 571 N -2.27 4.58 -0.10 2.62 -4.23 -0.54 -1.09 115.64 114.62 3r1r s THR 571 Ca 0.28 1.10 0.30 0.00 -1.18 0.00 0.00 61.69 62.19 3r1r s THR 571 Cb 0.20 -3.66 0.37 0.00 1.34 0.00 0.00 72.50 70.75 3r1r s THR 571 CO 0.44 -0.41 1.87 0.71 -0.54 0.00 0.00 174.62 176.68 3r1r h THR 572 N 1.52 0.00 -0.58 3.99 1.35 0.10 -2.52 112.91 116.78 3r1r h THR 572 Ca -0.48 -0.61 0.01 0.00 -0.55 0.00 0.00 66.41 64.78 3r1r h THR 572 Cb 1.18 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.16 3r1r h THR 572 CO 0.63 0.00 0.38 1.88 -0.25 0.00 0.00 175.52 178.16 3r1r h TYR 573 N 0.00 0.72 -0.14 4.73 0.05 -1.67 -0.74 116.97 119.92 3r1r h TYR 573 Ca 0.00 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3r1r h TYR 573 Cb 0.63 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 3r1r h TYR 573 CO 0.00 0.46 0.11 0.00 -1.05 0.00 0.00 178.16 177.67 3r1r h ALA 574 N 1.21 2.05 -0.35 3.88 0.00 -1.65 -1.06 119.26 123.34 3r1r h ALA 574 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3r1r h ALA 574 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3r1r h ALA 574 CO -0.05 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.66 3r1r n LYS 575 N -4.37 2.56 -1.20 0.00 5.02 -0.69 -4.83 118.16 114.65 3r1r n LYS 575 Ca 0.00 -1.57 -0.06 0.00 -2.02 0.00 0.00 58.31 54.65 3r1r n LYS 575 Cb 0.23 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 3r1r n LYS 575 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3r1r n GLY 576 N 0.71 0.86 3.85 0.72 0.00 -0.40 -5.03 105.19 105.91 3r1r n GLY 576 Ca 0.14 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3r1r n GLY 576 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3r1r s ILE 577 N -2.24 5.19 0.16 -0.61 1.01 -0.37 -5.02 121.20 119.32 3r1r s ILE 577 Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 60.65 61.33 3r1r s ILE 577 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3r1r s ILE 577 CO 0.00 0.58 -0.15 -0.76 0.00 0.00 0.00 174.94 174.61 3r1r s LEU 578 N -1.11 2.47 0.27 2.97 1.43 -1.26 -3.89 118.68 119.56 3r1r s LEU 578 Ca 0.21 -0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 3r1r s LEU 578 Cb -0.15 -0.63 0.58 0.00 0.03 0.00 0.00 46.19 46.02 3r1r s LEU 578 CO 0.11 -0.15 1.66 -0.65 0.23 0.00 0.00 176.35 177.55 3r1r h PRO 579 N 3.08 0.22 0.00 1.29 0.11 -1.94 0.69 132.00 135.45 3r1r h PRO 579 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3r1r h PRO 579 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3r1r h PRO 579 CO 0.56 0.15 0.00 0.44 -0.21 0.00 0.00 178.00 178.93 3r1r n ILE 580 N -5.21 1.46 -0.07 4.15 -5.35 -1.26 -1.97 119.36 111.11 3r1r n ILE 580 Ca 0.18 0.37 -0.08 0.00 -0.27 0.00 0.00 62.75 62.95 3r1r n ILE 580 Cb 0.57 -1.26 -0.15 0.00 -1.74 0.00 0.00 39.64 37.06 3r1r n ILE 580 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3r1r n ASP 581 N -1.46 0.27 -0.48 7.28 8.00 0.24 -4.62 116.55 125.77 3r1r n ASP 581 Ca 0.02 0.13 0.05 0.00 0.71 0.00 0.00 54.79 55.70 3r1r n ASP 581 Cb 0.07 0.75 0.13 0.00 -0.02 0.00 0.00 41.12 42.05 3r1r n ASP 581 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3r1r n THR 582 N -2.80 1.31 -0.82 -3.53 -2.24 -0.83 -5.02 114.28 100.35 3r1r n THR 582 Ca -0.26 -1.26 -0.28 0.00 -2.27 0.00 0.00 64.05 59.98 3r1r n THR 582 Cb 1.07 0.30 0.22 0.00 -2.10 0.00 0.00 70.33 69.83 3r1r n THR 582 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3r1r s TYR 583 N -1.48 1.67 -0.29 4.78 -0.85 -1.08 -4.47 117.35 115.61 3r1r s TYR 583 Ca 0.22 1.07 -0.29 0.00 -0.52 0.00 0.00 57.07 57.55 3r1r s TYR 583 Cb 0.14 -3.17 -0.00 0.00 0.38 0.00 0.00 41.96 39.31 3r1r s TYR 583 CO 0.10 -3.49 1.36 0.21 -1.52 0.00 0.00 175.55 172.20 3r1r s LYS 584 N -4.69 3.87 0.38 -3.49 2.47 -1.26 -4.92 119.74 112.10 3r1r s LYS 584 Ca 0.67 1.29 0.18 0.00 -1.56 0.00 0.00 55.97 56.55 3r1r s LYS 584 Cb -0.22 -3.91 1.10 0.00 -1.46 0.00 0.00 37.83 33.34 3r1r s LYS 584 CO 0.62 -1.18 1.73 1.57 0.16 0.00 0.00 175.35 178.25 3r1r h LYS 585 N 9.62 0.37 -1.09 4.03 -0.00 -1.92 -1.41 116.57 126.17 3r1r h LYS 585 Ca -0.27 -0.02 0.31 0.00 -0.00 0.00 0.00 60.65 60.66 3r1r h LYS 585 Cb 1.11 -0.08 -0.05 0.00 -0.00 0.00 0.00 32.23 33.20 3r1r h LYS 585 CO 1.03 0.24 0.77 -0.44 -0.00 0.00 0.00 179.45 181.06 3r1r h ASP 586 N 0.38 0.09 -1.11 7.07 5.19 -1.92 0.25 116.42 126.37 3r1r h ASP 586 Ca 0.65 0.02 0.31 0.00 -0.62 0.00 0.00 57.03 57.38 3r1r h ASP 586 Cb 1.62 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 41.05 3r1r h ASP 586 CO -0.38 0.02 0.74 -0.07 -3.12 0.00 0.00 179.24 176.42 3r1r h LEU 587 N 0.08 0.29 -1.12 1.55 3.38 -1.56 -0.37 115.31 117.57 3r1r h LEU 587 Ca 0.54 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.69 3r1r h LEU 587 Cb 1.99 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.69 3r1r h LEU 587 CO -0.06 0.03 0.61 0.44 0.09 0.00 0.00 178.44 179.55 3r1r h ASP 588 N 0.24 0.84 0.30 -0.43 3.32 -0.72 -1.85 116.42 118.12 3r1r h ASP 588 Ca 0.61 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.69 3r1r h ASP 588 Cb 1.83 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.25 3r1r h ASP 588 CO -0.22 0.46 0.00 0.35 -1.72 0.00 0.00 179.24 178.11 3r1r n THR 589 N -4.58 0.12 -0.02 0.35 -2.24 -0.15 -3.59 114.28 104.18 3r1r n THR 589 Ca 0.17 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3r1r n THR 589 Cb 0.36 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3r1r n THR 589 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3r1r n ILE 590 N -1.18 0.00 -3.67 2.28 -5.35 -0.71 -5.04 119.36 105.69 3r1r n ILE 590 Ca 0.15 -0.49 -0.14 0.00 -0.27 0.00 0.00 62.75 62.00 3r1r n ILE 590 Cb 0.16 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 39.00 3r1r n ILE 590 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3r1r s ALA 591 N -0.06 -1.47 -0.13 -1.28 0.00 -1.16 -4.80 121.76 112.85 3r1r s ALA 591 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 51.96 53.62 3r1r s ALA 591 Cb 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3r1r s ALA 591 CO 0.00 -0.28 0.30 0.27 0.00 0.00 0.00 175.76 176.05 3r1r n ASN 592 N 2.67 0.59 -4.62 0.00 2.04 -1.26 -4.65 115.26 110.04 3r1r n ASN 592 Ca -0.14 -0.79 -0.53 0.00 -0.44 0.00 0.00 54.58 52.67 3r1r n ASN 592 Cb 0.56 0.51 -0.06 0.00 -2.53 0.00 0.00 39.78 38.26 3r1r n ASN 592 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 3r1r n GLU 593 N -0.48 1.15 -2.94 -3.83 4.07 -1.26 -4.93 120.64 112.42 3r1r n GLU 593 Ca 0.01 0.42 -0.36 0.00 -0.06 0.00 0.00 57.16 57.16 3r1r n GLU 593 Cb 0.03 -2.07 -0.06 0.00 -0.06 0.00 0.00 31.44 29.28 3r1r n GLU 593 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3r1r s PRO 594 N 1.13 4.41 0.15 5.31 0.04 -1.26 -4.94 135.00 139.83 3r1r s PRO 594 Ca 0.87 1.09 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 3r1r s PRO 594 Cb -0.98 -2.82 -0.11 0.00 0.04 0.00 0.00 34.50 30.64 3r1r s PRO 594 CO 0.51 0.32 1.75 -0.51 0.04 0.00 0.00 177.00 179.11 3r1r s LEU 595 N -2.06 4.38 0.00 -3.56 1.43 -1.26 -4.88 118.68 112.73 3r1r s LEU 595 Ca 0.47 2.75 0.25 0.00 -1.03 0.00 0.00 54.13 56.57 3r1r s LEU 595 Cb -0.17 -3.58 0.47 0.00 0.03 0.00 0.00 46.19 42.93 3r1r s LEU 595 CO 0.22 -0.96 1.39 1.41 0.23 0.00 0.00 176.35 178.63 3r1r n HIS 596 N 4.95 0.00 -4.12 0.29 8.25 -1.26 -4.96 115.22 118.37 3r1r n HIS 596 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.40 3r1r n HIS 596 Cb 0.37 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 3r1r n HIS 596 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3r1r s TYR 597 N -3.00 2.97 -1.01 4.41 2.02 -1.26 -5.03 117.35 116.45 3r1r s TYR 597 Ca 0.11 -0.17 -0.21 0.00 -0.37 0.00 0.00 57.07 56.42 3r1r s TYR 597 Cb 0.17 -1.41 0.08 0.00 -0.40 0.00 0.00 41.96 40.40 3r1r s TYR 597 CO 0.71 0.49 1.37 0.34 -1.57 0.00 0.00 175.55 176.89 3r1r s ASP 598 N -3.82 6.57 0.11 2.29 -1.08 -1.26 -4.80 116.67 114.68 3r1r s ASP 598 Ca 0.34 -1.73 -0.11 0.00 -0.52 0.00 0.00 52.55 50.53 3r1r s ASP 598 Cb -0.07 -2.51 -0.13 0.00 -1.46 0.00 0.00 42.92 38.74 3r1r s ASP 598 CO 0.24 -1.34 1.32 -0.50 0.52 0.00 0.00 175.17 175.41 3r1r h TRP 599 N 9.31 1.02 -0.48 -5.34 4.06 -1.97 -3.04 115.95 119.51 3r1r h TRP 599 Ca 0.20 -0.45 -0.08 0.00 2.06 0.00 0.00 58.89 60.62 3r1r h TRP 599 Cb 1.00 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.99 3r1r h TRP 599 CO 1.25 1.28 -0.02 0.93 -3.56 0.00 0.00 178.44 178.32 3r1r h GLU 600 N 0.51 0.81 0.18 0.49 4.39 -1.99 0.53 114.58 119.50 3r1r h GLU 600 Ca -0.05 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3r1r h GLU 600 Cb 1.41 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 3r1r h GLU 600 CO 0.16 0.82 -0.18 0.00 -1.16 0.00 0.00 179.01 178.66 3r1r h ALA 601 N 1.23 -0.36 -0.61 3.43 0.00 -1.96 -2.64 119.26 118.35 3r1r h ALA 601 Ca 0.14 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3r1r h ALA 601 Cb 0.48 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3r1r h ALA 601 CO 0.02 -0.72 0.31 1.25 0.00 0.00 0.00 179.25 180.11 3r1r h LEU 602 N -0.39 0.44 -0.47 0.00 5.85 -1.33 -2.16 115.31 117.26 3r1r h LEU 602 Ca 0.00 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.84 3r1r h LEU 602 Cb 0.37 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 3r1r h LEU 602 CO -0.04 0.28 -0.38 -0.09 -0.34 0.00 0.00 178.44 177.87 3r1r h ARG 603 N 0.58 -0.25 0.22 1.25 2.43 0.41 0.12 114.38 119.14 3r1r h ARG 603 Ca 0.28 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3r1r h ARG 603 Cb 0.21 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3r1r h ARG 603 CO -0.20 -0.17 -0.23 0.93 -1.51 0.00 0.00 179.97 178.80 3r1r h GLU 604 N -0.26 -0.46 -0.99 0.20 4.39 -1.24 0.59 114.58 116.80 3r1r h GLU 604 Ca 0.17 0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.07 3r1r h GLU 604 Cb 0.56 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.22 3r1r h GLU 604 CO -0.60 -0.31 0.62 1.03 -1.16 0.00 0.00 179.01 178.58 3r1r h SER 605 N -0.48 0.79 0.36 1.42 0.87 -0.72 0.45 113.55 116.23 3r1r h SER 605 Ca -0.00 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3r1r h SER 605 Cb 0.45 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3r1r h SER 605 CO -0.05 0.33 -0.17 0.40 -0.53 0.00 0.00 176.83 176.80 3r1r h ILE 606 N 0.80 0.63 -0.53 2.23 2.04 -0.57 -0.37 117.51 121.73 3r1r h ILE 606 Ca 0.54 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 66.05 3r1r h ILE 606 Cb 0.80 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 37.63 3r1r h ILE 606 CO -0.33 0.09 -0.23 0.11 0.00 0.00 0.00 178.15 177.79 3r1r h LYS 607 N -0.75 -0.10 0.65 2.37 1.57 0.15 1.13 116.57 121.59 3r1r h LYS 607 Ca -0.05 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3r1r h LYS 607 Cb 0.51 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.85 3r1r h LYS 607 CO 0.08 -0.06 -0.31 1.15 -0.57 0.00 0.00 179.45 179.73 3r1r h THR 608 N -0.10 0.13 -0.02 -0.16 2.02 -0.27 -3.36 112.91 111.16 3r1r h THR 608 Ca 0.24 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3r1r h THR 608 Cb 0.48 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3r1r h THR 608 CO -0.60 0.02 -0.31 1.41 0.37 0.00 0.00 175.52 176.41 3r1r n HIS 609 N -5.38 0.00 -4.54 3.16 8.25 -0.15 -5.09 115.22 111.48 3r1r n HIS 609 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3r1r n HIS 609 Cb 0.36 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3r1r n HIS 609 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3r1r n GLY 610 N 1.37 -1.36 3.30 -1.41 0.00 0.39 -4.44 105.19 103.05 3r1r n GLY 610 Ca 0.11 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 3r1r n GLY 610 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3r1r s LEU 611 N 0.00 2.19 0.03 0.99 1.43 -1.26 -4.45 118.68 117.61 3r1r s LEU 611 Ca 0.00 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.32 3r1r s LEU 611 Cb 0.00 -1.11 -0.16 0.00 0.03 0.00 0.00 46.19 44.95 3r1r s LEU 611 CO 0.00 0.19 1.30 -0.09 0.23 0.00 0.00 176.35 177.98 3r1r h ARG 612 N 4.71 0.36 -5.94 1.70 9.65 -1.82 -2.26 114.38 120.78 3r1r h ARG 612 Ca -0.45 -0.21 -0.67 0.00 -1.10 0.00 0.00 59.98 57.54 3r1r h ARG 612 Cb 1.15 0.02 -0.19 0.00 -1.39 0.00 0.00 29.97 29.57 3r1r h ARG 612 CO 0.43 0.79 -0.68 -0.80 2.80 0.00 0.00 179.97 182.52 3r1r s ASN 613 N -6.21 4.77 0.38 -3.80 -0.87 -1.26 -2.86 114.94 105.09 3r1r s ASN 613 Ca -0.14 -0.02 0.20 0.00 -1.57 0.00 0.00 52.86 51.33 3r1r s ASN 613 Cb 0.05 -1.35 0.44 0.00 -0.02 0.00 0.00 41.25 40.37 3r1r s ASN 613 CO 0.76 0.33 1.62 0.28 -2.57 0.00 0.00 177.10 177.52 3r1r h SER 614 N 5.53 0.00 -4.60 -1.22 0.02 -1.37 -3.45 113.55 108.46 3r1r h SER 614 Ca -0.45 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.24 3r1r h SER 614 Cb 1.18 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.49 3r1r h SER 614 CO 0.55 0.29 -0.73 0.42 -1.14 0.00 0.00 176.83 176.21 3r1r s THR 615 N -3.26 0.41 0.00 -2.27 -4.23 -1.26 -4.85 115.64 100.18 3r1r s THR 615 Ca 0.03 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3r1r s THR 615 Cb 0.08 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.45 3r1r s THR 615 CO 0.69 -0.30 0.00 0.18 -0.54 0.00 0.00 174.62 174.65 3r1r n LEU 616 N 1.83 0.00 -4.45 4.79 4.77 -1.18 -1.10 117.00 121.66 3r1r n LEU 616 Ca -0.21 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.48 3r1r n LEU 616 Cb 0.56 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.52 3r1r n LEU 616 CO 0.22 0.00 -0.51 -0.94 -1.33 0.00 0.00 177.39 174.82 3r1r s SER 617 N -1.82 3.71 -0.29 -1.43 1.04 -1.26 0.11 113.70 113.76 3r1r s SER 617 Ca 0.00 -0.57 -0.14 0.00 0.48 0.00 0.00 55.95 55.72 3r1r s SER 617 Cb 0.00 -0.48 0.12 0.00 0.10 0.00 0.00 66.02 65.76 3r1r s SER 617 CO 0.00 0.20 0.79 0.00 0.98 0.00 0.00 173.24 175.21 3r1r s ALA 618 N -1.05 -2.15 -0.71 5.32 0.00 -0.42 -1.80 121.76 120.94 3r1r s ALA 618 Ca 0.16 2.29 -0.19 0.00 0.00 0.00 0.00 51.96 54.23 3r1r s ALA 618 Cb -0.10 -1.69 0.12 0.00 0.00 0.00 0.00 23.12 21.45 3r1r s ALA 618 CO 0.08 -0.62 0.84 -0.51 0.00 0.00 0.00 175.76 175.55 3r1r s LEU 619 N 2.05 5.41 0.30 0.00 1.43 -0.75 -2.69 118.68 124.44 3r1r s LEU 619 Ca -0.07 -1.71 0.05 0.00 -1.03 0.00 0.00 54.13 51.36 3r1r s LEU 619 Cb -0.07 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3r1r s LEU 619 CO -0.18 -1.06 0.44 0.00 0.23 0.00 0.00 176.35 175.78 3r1r s MET 620 N 2.46 3.28 1.10 1.70 0.23 -1.26 -1.35 119.30 125.46 3r1r s MET 620 Ca 0.18 -0.83 -0.16 0.00 -1.03 0.00 0.00 55.69 53.85 3r1r s MET 620 Cb -0.17 -2.83 0.24 0.00 -1.53 0.00 0.00 34.83 30.54 3r1r s MET 620 CO 0.01 0.21 1.13 -1.25 -2.03 0.00 0.00 175.02 173.09 3r1r s PRO 621 N -4.12 -0.39 -0.30 3.16 0.04 -1.26 -4.67 135.00 127.45 3r1r s PRO 621 Ca 0.40 0.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.40 3r1r s PRO 621 Cb -0.09 -1.68 0.18 0.00 0.04 0.00 0.00 34.50 32.95 3r1r s PRO 621 CO 0.31 -3.19 1.04 -1.54 0.04 0.00 0.00 177.00 173.66 3r1r s SER 622 N -3.90 -0.46 -0.09 6.66 1.04 -1.26 -4.85 113.70 110.85 3r1r s SER 622 Ca 0.69 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 57.25 3r1r s SER 622 Cb -0.12 1.33 -0.01 0.00 0.10 0.00 0.00 66.02 67.32 3r1r s SER 622 CO 0.56 -0.08 -0.08 -0.08 0.98 0.00 0.00 173.24 174.54 3r1r h GLU 623 N 7.66 0.00 0.33 4.02 4.57 -1.98 -3.35 114.58 125.83 3r1r h GLU 623 Ca -0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3r1r h GLU 623 Cb 1.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3r1r h GLU 623 CO -0.10 0.00 -0.24 1.15 -1.18 0.00 0.00 179.01 178.65 3r1r h THR 624 N -0.70 0.00 -0.70 0.32 2.02 -1.99 -0.77 112.91 111.09 3r1r h THR 624 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 3r1r h THR 624 Cb 0.22 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.50 3r1r h THR 624 CO 0.00 0.00 -0.11 0.28 0.37 0.00 0.00 175.52 176.06 3r1r h SER 625 N -0.54 -0.53 -0.69 4.18 0.02 -1.89 0.36 113.55 114.46 3r1r h SER 625 Ca -0.04 0.20 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3r1r h SER 625 Cb 0.45 0.39 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 3r1r h SER 625 CO 0.02 -0.21 0.40 0.28 -1.14 0.00 0.00 176.83 176.18 3r1r h SER 626 N 0.04 0.60 -0.75 3.07 0.02 -1.67 -2.39 113.55 112.48 3r1r h SER 626 Ca 0.36 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.38 3r1r h SER 626 Cb 0.58 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 3r1r h SER 626 CO -0.69 0.39 0.45 1.56 -1.14 0.00 0.00 176.83 177.41 3r1r h GLN 627 N 0.74 0.82 -0.46 3.45 4.20 0.12 0.33 115.11 124.31 3r1r h GLN 627 Ca 0.30 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.89 3r1r h GLN 627 Cb 0.16 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3r1r h GLN 627 CO -0.17 0.54 -0.01 0.82 -0.67 0.00 0.00 178.83 179.34 3r1r h ILE 628 N 0.85 1.24 -0.27 2.54 2.04 -0.78 -2.32 117.51 120.81 3r1r h ILE 628 Ca 0.32 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3r1r h ILE 628 Cb 0.12 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3r1r h ILE 628 CO -0.15 0.35 0.00 -1.20 0.00 0.00 0.00 178.15 177.15 3r1r n SER 629 N -4.21 1.95 -3.65 1.72 7.64 -1.05 -4.67 113.62 111.35 3r1r n SER 629 Ca 0.02 -1.84 -0.22 0.00 1.01 0.00 0.00 58.87 57.85 3r1r n SER 629 Cb 0.30 -0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 3r1r n SER 629 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3r1r n ASN 630 N 0.53 -5.48 -4.05 6.43 4.05 -0.61 -4.98 115.26 111.15 3r1r n ASN 630 Ca 0.15 -0.81 -0.13 0.00 0.45 0.00 0.00 54.58 54.24 3r1r n ASN 630 Cb 0.35 -2.65 -0.12 0.00 1.23 0.00 0.00 39.78 38.59 3r1r n ASN 630 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3r1r s ALA 631 N -3.10 0.54 0.65 5.20 0.00 0.01 -4.64 121.76 120.43 3r1r s ALA 631 Ca 0.10 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 3r1r s ALA 631 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3r1r s ALA 631 CO 0.87 -0.01 1.24 0.95 0.00 0.00 0.00 175.76 178.81 3r1r s THR 632 N -1.28 2.29 0.06 0.00 -4.23 -1.26 -4.48 115.64 106.74 3r1r s THR 632 Ca -0.09 0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.29 3r1r s THR 632 Cb -0.09 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 3r1r s THR 632 CO 0.00 -0.05 1.05 0.20 -0.54 0.00 0.00 174.62 175.28 3r1r s ASN 633 N -1.62 7.31 0.00 3.99 0.02 -1.26 -0.13 114.94 123.25 3r1r s ASN 633 Ca 0.79 1.83 0.00 0.00 -1.02 0.00 0.00 52.86 54.46 3r1r s ASN 633 Cb -0.33 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.36 3r1r s ASN 633 CO 0.39 -0.27 0.00 0.61 0.02 0.00 0.00 177.10 177.85 3r1r n GLY 634 N 2.73 1.80 0.74 0.66 0.00 -1.26 -1.17 105.19 108.69 3r1r n GLY 634 Ca 0.06 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.42 3r1r n GLY 634 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3r1r n ILE 635 N 0.00 0.23 -2.83 -0.61 -5.35 -1.26 -2.13 119.36 107.41 3r1r n ILE 635 Ca 0.00 -0.62 -0.36 0.00 -0.27 0.00 0.00 62.75 61.50 3r1r n ILE 635 Cb 0.00 1.15 -0.07 0.00 -1.74 0.00 0.00 39.64 38.98 3r1r n ILE 635 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3r1r s GLU 636 N -1.30 4.46 0.45 6.28 0.41 -0.31 -4.52 118.70 124.16 3r1r s GLU 636 Ca 0.23 1.22 -0.23 0.00 -0.41 0.00 0.00 54.97 55.78 3r1r s GLU 636 Cb 0.15 -2.66 -0.08 0.00 -1.78 0.00 0.00 34.13 29.76 3r1r s GLU 636 CO 0.22 0.22 1.14 -1.25 -0.49 0.00 0.00 175.26 175.10 3r1r s PRO 637 N -2.32 3.83 0.39 0.39 0.04 -1.26 -4.38 135.00 131.69 3r1r s PRO 637 Ca 0.52 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 63.02 3r1r s PRO 637 Cb -0.16 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 3r1r s PRO 637 CO 0.21 -0.48 1.26 -1.25 0.04 0.00 0.00 177.00 176.78 3r1r s PRO 638 N -2.68 4.04 0.16 0.56 0.04 -1.26 -4.47 135.00 131.39 3r1r s PRO 638 Ca 0.63 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.60 3r1r s PRO 638 Cb -0.27 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.55 3r1r s PRO 638 CO 0.33 -0.40 1.74 -0.09 0.04 0.00 0.00 177.00 178.62 3r1r h ARG 639 N 2.76 0.78 -3.45 4.56 2.43 -1.94 0.18 114.38 119.70 3r1r h ARG 639 Ca -0.49 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 58.43 3r1r h ARG 639 Cb 1.24 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 3r1r h ARG 639 CO 0.63 0.66 0.09 0.20 -1.51 0.00 0.00 179.97 180.04 3r1r s GLY 640 N -3.00 0.83 0.22 2.80 0.00 -1.26 -4.29 107.32 102.62 3r1r s GLY 640 Ca -0.13 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.60 3r1r s GLY 640 CO 0.77 -0.59 1.49 -0.97 0.00 0.00 0.00 173.10 173.81 3r1r h TYR 641 N 2.04 0.07 -3.29 1.90 0.05 -1.94 -3.43 116.97 112.36 3r1r h TYR 641 Ca -0.31 -0.04 -0.67 0.00 0.05 0.00 0.00 58.73 57.77 3r1r h TYR 641 Cb 1.25 -0.01 -0.33 0.00 1.01 0.00 0.00 36.73 38.64 3r1r h TYR 641 CO 1.46 0.78 -0.87 0.08 -1.05 0.00 0.00 178.16 178.56 3r1r s VAL 642 N -3.34 1.99 -0.18 -2.88 1.01 -1.26 -0.68 120.40 115.05 3r1r s VAL 642 Ca -0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3r1r s VAL 642 Cb 0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3r1r s VAL 642 CO 0.79 0.54 0.04 -0.55 0.00 0.00 0.00 175.10 175.92 3r1r s SER 643 N 0.55 5.40 -0.14 3.32 0.15 -0.17 -4.91 113.70 117.90 3r1r s SER 643 Ca -0.14 0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.44 3r1r s SER 643 Cb -0.17 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 3r1r s SER 643 CO 0.04 0.15 0.12 -0.63 1.20 0.00 0.00 173.24 174.13 3r1r s ILE 644 N 0.49 5.37 0.01 6.45 1.09 -1.26 -1.54 121.20 131.82 3r1r s ILE 644 Ca 0.02 0.16 0.03 0.00 -1.10 0.00 0.00 60.65 59.76 3r1r s ILE 644 Cb -0.13 -3.37 -0.01 0.00 -1.06 0.00 0.00 42.46 37.89 3r1r s ILE 644 CO 0.01 0.56 -0.09 -0.75 -0.10 0.00 0.00 174.94 174.58 3r1r s LYS 645 N -0.59 0.67 0.28 2.79 2.47 0.27 -4.96 119.74 120.66 3r1r s LYS 645 Ca 0.12 -0.44 -0.04 0.00 -1.56 0.00 0.00 55.97 54.06 3r1r s LYS 645 Cb -0.12 -0.62 -0.05 0.00 -1.46 0.00 0.00 37.83 35.58 3r1r s LYS 645 CO 0.02 0.16 0.53 0.00 0.16 0.00 0.00 175.35 176.23 3r1r s ALA 646 N -0.48 3.65 0.20 3.13 0.00 -1.26 0.12 121.76 127.12 3r1r s ALA 646 Ca 0.01 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.14 3r1r s ALA 646 Cb -0.05 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.87 3r1r s ALA 646 CO 0.00 0.25 0.67 0.45 0.00 0.00 0.00 175.76 177.14 3r1r s SER 647 N -3.20 -0.43 0.26 0.00 0.15 -0.90 -4.85 113.70 104.74 3r1r s SER 647 Ca 0.43 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.85 3r1r s SER 647 Cb -0.11 0.64 0.36 0.00 -1.71 0.00 0.00 66.02 65.20 3r1r s SER 647 CO 0.30 -1.10 1.68 0.07 1.20 0.00 0.00 173.24 175.39 3r1r h LYS 648 N 2.00 0.47 -0.47 5.44 2.10 -2.03 -2.64 116.57 121.43 3r1r h LYS 648 Ca -0.27 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3r1r h LYS 648 Cb 1.28 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3r1r h LYS 648 CO 0.31 0.74 0.00 -0.25 -2.00 0.00 0.00 179.45 178.25 3r1r n ASP 649 N -4.08 0.60 0.00 7.07 8.00 -1.26 -5.00 116.55 121.88 3r1r n ASP 649 Ca -0.01 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3r1r n ASP 649 Cb 0.45 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3r1r n ASP 649 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3r1r n GLY 650 N 0.30 -0.37 3.70 0.44 0.00 -1.00 -4.97 105.19 103.30 3r1r n GLY 650 Ca 0.01 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 3r1r n GLY 650 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3r1r s ILE 651 N -0.34 4.93 -0.30 -0.61 1.01 -1.26 -2.11 121.20 122.52 3r1r s ILE 651 Ca 0.00 1.75 -0.11 0.00 0.00 0.00 0.00 60.65 62.29 3r1r s ILE 651 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3r1r s ILE 651 CO 0.00 0.15 0.20 -0.76 0.00 0.00 0.00 174.94 174.53 3r1r s LEU 652 N 1.26 4.15 -0.05 2.97 1.43 0.33 -4.88 118.68 123.89 3r1r s LEU 652 Ca 0.44 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 3r1r s LEU 652 Cb -0.19 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 3r1r s LEU 652 CO 0.20 -0.10 -0.17 -0.13 0.23 0.00 0.00 176.35 176.38 3r1r s ARG 653 N 1.75 2.51 -0.07 1.70 0.52 -1.26 0.93 118.95 125.03 3r1r s ARG 653 Ca 0.07 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 3r1r s ARG 653 Cb -0.16 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.00 3r1r s ARG 653 CO 0.11 0.57 -0.01 -1.14 0.02 0.00 0.00 175.30 174.85 3r1r s GLN 654 N -0.60 0.65 0.08 3.54 0.74 -0.59 -4.61 119.66 118.88 3r1r s GLN 654 Ca 0.09 0.07 -0.21 0.00 0.05 0.00 0.00 55.36 55.35 3r1r s GLN 654 Cb -0.11 -0.95 -0.07 0.00 1.10 0.00 0.00 33.01 32.99 3r1r s GLN 654 CO 0.01 -0.26 0.62 0.08 -0.55 0.00 0.00 175.29 175.19 3r1r s VAL 655 N 1.77 4.69 0.48 1.34 1.01 -1.26 -1.00 120.40 127.43 3r1r s VAL 655 Ca 0.02 1.34 -0.23 0.00 0.00 0.00 0.00 61.98 63.11 3r1r s VAL 655 Cb -0.13 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 3r1r s VAL 655 CO -0.04 0.52 1.15 1.33 0.00 0.00 0.00 175.10 178.06 3r1r n VAL 656 N 1.88 3.00 -1.60 2.92 0.24 0.14 -4.83 118.33 120.08 3r1r n VAL 656 Ca -0.09 -0.50 -0.48 0.00 -2.04 0.00 0.00 64.34 61.24 3r1r n VAL 656 Cb 0.50 -1.39 -0.04 0.00 -1.47 0.00 0.00 33.84 31.45 3r1r n VAL 656 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3r1r n PRO 657 N -0.35 1.41 -3.92 7.34 -0.02 -1.26 -2.57 135.00 135.64 3r1r n PRO 657 Ca 0.09 0.50 -0.26 0.00 -2.02 0.00 0.00 63.50 61.82 3r1r n PRO 657 Cb 0.42 -2.06 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3r1r n PRO 657 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3r1r n ASP 658 N 2.10 -1.53 -0.29 2.55 2.03 -1.26 -4.85 116.55 115.29 3r1r n ASP 658 Ca 0.14 -0.93 -0.05 0.00 0.52 0.00 0.00 54.79 54.48 3r1r n ASP 658 Cb 0.26 -3.40 0.07 0.00 -0.72 0.00 0.00 41.12 37.34 3r1r n ASP 658 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3r1r h TYR 659 N -1.84 1.11 -0.78 -0.67 3.20 -1.85 0.15 116.97 116.28 3r1r h TYR 659 Ca -0.61 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.29 3r1r h TYR 659 Cb 1.37 -0.35 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 3r1r h TYR 659 CO 0.51 0.78 -0.46 -1.91 -1.64 0.00 0.00 178.16 175.44 3r1r n GLU 660 N -4.40 -0.34 0.05 1.82 2.13 -1.26 -1.33 120.64 117.31 3r1r n GLU 660 Ca 0.08 1.36 0.11 0.00 0.66 0.00 0.00 57.16 59.37 3r1r n GLU 660 Cb 0.10 -2.01 0.05 0.00 0.27 0.00 0.00 31.44 29.86 3r1r n GLU 660 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3r1r n HIS 661 N -4.79 0.49 -0.00 4.31 8.25 -1.01 -4.49 115.22 117.98 3r1r n HIS 661 Ca 0.02 0.14 0.02 0.00 -0.26 0.00 0.00 57.72 57.64 3r1r n HIS 661 Cb 0.20 -0.62 0.04 0.00 1.12 0.00 0.00 29.99 30.74 3r1r n HIS 661 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3r1r n LEU 662 N -2.18 2.06 -0.19 2.41 4.77 0.50 -4.79 117.00 119.58 3r1r n LEU 662 Ca 0.01 -1.75 -0.06 0.00 -0.03 0.00 0.00 56.01 54.19 3r1r n LEU 662 Cb 0.47 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3r1r n LEU 662 CO 0.39 0.50 0.62 1.12 -1.33 0.00 0.00 177.39 178.70 3r1r h HIS 663 N 0.69 -0.98 0.00 -1.77 2.07 -1.39 0.37 115.15 114.14 3r1r h HIS 663 Ca 0.00 0.07 -0.04 0.00 -2.85 0.00 0.00 60.37 57.55 3r1r h HIS 663 Cb 0.47 0.51 -0.01 0.00 2.57 0.00 0.00 27.41 30.96 3r1r h HIS 663 CO 0.06 -0.39 -0.17 -0.44 -3.07 0.00 0.00 177.93 173.91 3r1r h ASP 664 N -0.19 0.00 -0.37 3.10 3.32 -1.87 -3.08 116.42 117.33 3r1r h ASP 664 Ca 0.21 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3r1r h ASP 664 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3r1r h ASP 664 CO -0.66 0.17 -0.16 0.00 -1.72 0.00 0.00 179.24 176.88 3r1r h ALA 665 N 1.83 0.51 -2.19 3.45 0.00 -0.63 -3.44 119.26 118.78 3r1r h ALA 665 Ca -0.00 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 54.03 3r1r h ALA 665 Cb 0.54 -0.13 0.21 0.00 0.00 0.00 0.00 17.79 18.42 3r1r h ALA 665 CO 0.02 0.43 -0.49 0.66 0.00 0.00 0.00 179.25 179.87 3r1r n TYR 666 N -4.31 -1.22 -3.78 0.00 4.01 -0.63 -4.75 117.16 106.48 3r1r n TYR 666 Ca -0.02 0.25 -0.29 0.00 -0.16 0.00 0.00 57.90 57.68 3r1r n TYR 666 Cb 0.40 -1.81 -0.16 0.00 -0.31 0.00 0.00 39.34 37.46 3r1r n TYR 666 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3r1r s GLU 667 N -3.68 0.89 0.55 -0.72 2.12 -1.26 -5.04 118.70 111.56 3r1r s GLU 667 Ca 0.58 -0.83 -0.17 0.00 0.36 0.00 0.00 54.97 54.91 3r1r s GLU 667 Cb -0.22 -2.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.94 3r1r s GLU 667 CO 0.66 -0.78 1.05 -0.51 -0.54 0.00 0.00 175.26 175.14 3r1r s LEU 668 N 1.65 3.62 0.17 2.70 1.43 -1.26 -4.59 118.68 122.41 3r1r s LEU 668 Ca 0.03 1.85 -0.20 0.00 -1.03 0.00 0.00 54.13 54.78 3r1r s LEU 668 Cb -0.18 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.59 3r1r s LEU 668 CO -0.15 -1.02 1.33 -0.11 0.23 0.00 0.00 176.35 176.63 3r1r n LEU 669 N -1.64 -0.72 -0.04 1.79 7.94 0.62 0.24 117.00 125.20 3r1r n LEU 669 Ca 0.09 1.51 0.05 0.00 -1.11 0.00 0.00 56.01 56.56 3r1r n LEU 669 Cb 0.53 -0.28 0.30 0.00 0.53 0.00 0.00 43.42 44.50 3r1r n LEU 669 CO 0.44 -1.30 0.69 0.79 -1.11 0.00 0.00 177.39 176.91 3r1r n TRP 670 N -5.18 0.02 0.35 1.96 5.03 -1.26 -3.09 117.44 115.27 3r1r n TRP 670 Ca 0.06 -0.01 0.12 0.00 3.03 0.00 0.00 57.50 60.69 3r1r n TRP 670 Cb 0.29 0.00 0.05 0.00 -1.03 0.00 0.00 31.31 30.62 3r1r n TRP 670 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 3r1r n GLU 671 N -0.59 0.43 -2.25 -0.99 1.02 0.14 -4.82 120.64 113.58 3r1r n GLU 671 Ca 0.08 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 3r1r n GLU 671 Cb 0.05 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 3r1r n GLU 671 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3r1r s MET 672 N -3.27 4.34 0.53 3.49 -1.94 -1.18 -4.89 119.30 116.39 3r1r s MET 672 Ca 0.02 1.96 0.29 0.00 -1.71 0.00 0.00 55.69 56.26 3r1r s MET 672 Cb 0.12 -3.34 1.51 0.00 2.01 0.00 0.00 34.83 35.13 3r1r s MET 672 CO 0.78 -0.41 2.08 -1.35 -0.01 0.00 0.00 175.02 176.10 3r1r h PRO 673 N 7.00 0.00 0.00 2.03 0.11 -1.91 -3.47 132.00 135.76 3r1r h PRO 673 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3r1r h PRO 673 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3r1r h PRO 673 CO 0.86 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 3r1r n GLY 674 N -0.62 1.75 0.00 -0.55 0.00 -1.26 -5.06 105.19 99.45 3r1r n GLY 674 Ca -0.02 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.34 3r1r n GLY 674 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3r1r n ASN 675 N -0.21 0.84 0.17 1.61 3.02 -1.26 -4.65 115.26 114.78 3r1r n ASN 675 Ca 0.00 -0.78 -0.17 0.00 -0.03 0.00 0.00 54.58 53.61 3r1r n ASN 675 Cb 0.00 0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 40.01 3r1r n ASN 675 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3r1r h ASP 676 N 0.00 -1.50 -0.71 6.41 3.32 -1.97 0.19 116.42 122.16 3r1r h ASP 676 Ca 0.00 0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.29 3r1r h ASP 676 Cb 0.55 0.54 -0.12 0.00 0.22 0.00 0.00 39.33 40.52 3r1r h ASP 676 CO 0.00 -0.59 -0.47 1.23 -1.72 0.00 0.00 179.24 177.70 3r1r h GLY 677 N -0.82 -0.49 0.95 2.75 0.00 -1.76 0.31 103.07 104.00 3r1r h GLY 677 Ca -0.02 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 3r1r h GLY 677 CO -0.22 -0.12 0.17 -1.82 0.00 0.00 0.00 176.54 174.55 3r1r h TYR 678 N -0.16 0.63 -0.53 5.60 5.03 -1.51 -1.72 116.97 124.31 3r1r h TYR 678 Ca 0.20 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 3r1r h TYR 678 Cb 0.54 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 3r1r h TYR 678 CO -0.80 0.55 0.21 -0.07 -1.32 0.00 0.00 178.16 176.73 3r1r h LEU 679 N 0.53 0.70 0.15 2.82 3.38 0.60 0.91 115.31 124.40 3r1r h LEU 679 Ca 0.14 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3r1r h LEU 679 Cb 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3r1r h LEU 679 CO -0.01 0.63 -0.35 1.56 0.09 0.00 0.00 178.44 180.36 3r1r h GLN 680 N 0.76 -0.58 -0.58 1.13 4.20 0.01 0.52 115.11 120.57 3r1r h GLN 680 Ca 0.18 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.99 3r1r h GLN 680 Cb 0.15 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3r1r h GLN 680 CO -0.02 -0.38 0.39 -0.07 -0.67 0.00 0.00 178.83 178.08 3r1r h LEU 681 N -0.60 0.51 -0.33 1.46 3.38 -0.18 0.12 115.31 119.67 3r1r h LEU 681 Ca 0.02 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3r1r h LEU 681 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3r1r h LEU 681 CO -0.18 0.34 -0.16 0.58 0.09 0.00 0.00 178.44 179.10 3r1r h VAL 682 N 0.58 1.29 -0.40 1.22 2.07 -0.05 -1.53 116.25 119.44 3r1r h VAL 682 Ca 0.25 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3r1r h VAL 682 Cb 0.24 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3r1r h VAL 682 CO -0.07 0.41 0.14 1.23 0.02 0.00 0.00 177.57 179.30 3r1r h GLY 683 N 0.46 0.52 0.99 2.17 0.00 0.95 0.15 103.07 108.30 3r1r h GLY 683 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3r1r h GLY 683 CO 0.05 0.03 0.08 -2.22 0.00 0.00 0.00 176.54 174.48 3r1r h ILE 684 N 0.30 1.04 -1.00 2.60 2.04 -0.76 -2.28 117.51 119.45 3r1r h ILE 684 Ca 0.18 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3r1r h ILE 684 Cb 0.17 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 3r1r h ILE 684 CO -0.19 0.04 0.65 0.24 0.00 0.00 0.00 178.15 178.89 3r1r h MET 685 N 0.16 1.17 0.00 2.37 2.86 -0.70 -0.80 114.93 119.99 3r1r h MET 685 Ca 0.05 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3r1r h MET 685 Cb -0.01 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.39 3r1r h MET 685 CO -0.01 0.77 -0.07 0.37 1.06 0.00 0.00 176.91 179.03 3r1r h GLN 686 N 1.20 0.00 -0.44 1.72 5.75 -0.16 -2.33 115.11 120.85 3r1r h GLN 686 Ca 0.42 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 59.01 3r1r h GLN 686 Cb 0.11 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.57 3r1r h GLN 686 CO -0.16 0.07 -0.15 -0.22 -2.65 0.00 0.00 178.83 175.72 3r1r h LYS 687 N 0.00 -0.05 0.00 1.69 3.64 -0.78 -2.73 116.57 118.34 3r1r h LYS 687 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3r1r h LYS 687 Cb 0.25 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3r1r h LYS 687 CO 0.01 -0.03 -0.80 1.19 -2.27 0.00 0.00 179.45 177.54 3r1r n PHE 688 N -5.36 0.19 -2.81 1.91 3.72 -0.99 -4.43 117.46 109.68 3r1r n PHE 688 Ca 0.03 0.05 -0.41 0.00 -0.05 0.00 0.00 57.45 57.08 3r1r n PHE 688 Cb 0.27 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.41 3r1r n PHE 688 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3r1r s ILE 689 N -3.11 4.64 0.10 4.37 -1.09 -0.91 -4.76 121.20 120.43 3r1r s ILE 689 Ca 0.07 1.92 -0.18 0.00 -2.23 0.00 0.00 60.65 60.23 3r1r s ILE 689 Cb 0.15 -4.25 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 3r1r s ILE 689 CO 0.77 0.31 1.55 0.44 -1.23 0.00 0.00 174.94 176.77 3r1r h ASP 690 N 5.81 0.49 0.00 3.58 3.32 -1.88 -3.44 116.42 124.30 3r1r h ASP 690 Ca -0.43 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.33 3r1r h ASP 690 Cb 1.21 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3r1r h ASP 690 CO 0.72 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.90 3r1r n GLN 691 N -4.60 0.00 -3.72 3.56 6.02 -0.75 -4.37 117.38 113.53 3r1r n GLN 691 Ca -0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.80 3r1r n GLN 691 Cb 0.24 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.44 3r1r n GLN 691 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3r1r n SER 692 N 0.00 0.05 -4.20 1.08 2.88 -0.24 -4.86 113.62 108.32 3r1r n SER 692 Ca 0.00 -2.64 -0.22 0.00 -1.33 0.00 0.00 58.87 54.69 3r1r n SER 692 Cb 0.00 1.09 -0.13 0.00 -0.75 0.00 0.00 64.21 64.42 3r1r n SER 692 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3r1r s ILE 693 N -2.91 1.36 -1.37 2.46 1.01 -1.26 -1.81 121.20 118.68 3r1r s ILE 693 Ca 0.25 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 3r1r s ILE 693 Cb 0.01 -1.23 0.09 0.00 0.01 0.00 0.00 42.46 41.35 3r1r s ILE 693 CO 0.18 0.00 2.03 -1.20 0.00 0.00 0.00 174.94 175.94 3r1r n SER 694 N 1.62 4.45 -4.77 3.58 7.64 -0.45 -4.60 113.62 121.08 3r1r n SER 694 Ca -0.19 -2.95 -0.38 0.00 1.01 0.00 0.00 58.87 56.37 3r1r n SER 694 Cb 0.54 -1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 3r1r n SER 694 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3r1r s ALA 695 N 2.26 3.13 0.20 -0.43 0.00 -1.26 -4.81 121.76 120.84 3r1r s ALA 695 Ca 0.45 0.83 0.08 0.00 0.00 0.00 0.00 51.96 53.32 3r1r s ALA 695 Cb 0.11 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3r1r s ALA 695 CO -0.04 -0.36 -0.03 -0.80 0.00 0.00 0.00 175.76 174.54 3r1r s ASN 696 N -1.33 4.55 -0.08 0.00 0.02 -1.26 -0.14 114.94 116.69 3r1r s ASN 696 Ca 0.57 -0.52 0.04 0.00 -1.02 0.00 0.00 52.86 51.93 3r1r s ASN 696 Cb -0.27 -0.88 -0.00 0.00 0.02 0.00 0.00 41.25 40.12 3r1r s ASN 696 CO 0.33 0.07 -0.23 0.42 0.02 0.00 0.00 177.10 177.71 3r1r s THR 697 N -1.88 1.94 -0.01 1.60 -4.23 -0.51 -4.96 115.64 107.59 3r1r s THR 697 Ca 0.28 -0.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.90 3r1r s THR 697 Cb -0.08 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3r1r s THR 697 CO 0.18 0.54 -0.26 0.20 -0.54 0.00 0.00 174.62 174.74 3r1r s ASN 698 N 0.24 3.02 -0.02 3.99 0.01 -1.26 -0.68 114.94 120.23 3r1r s ASN 698 Ca -0.14 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 3r1r s ASN 698 Cb -0.16 -0.33 0.02 0.00 0.41 0.00 0.00 41.25 41.19 3r1r s ASN 698 CO 0.07 0.31 0.01 -0.31 -1.51 0.00 0.00 177.10 175.66 3r1r s TYR 699 N -0.62 0.21 -0.29 2.20 2.02 0.94 -4.71 117.35 117.08 3r1r s TYR 699 Ca 0.10 0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.78 3r1r s TYR 699 Cb -0.10 -0.31 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 3r1r s TYR 699 CO -0.01 -0.10 0.05 0.34 -1.57 0.00 0.00 175.55 174.27 3r1r s ASP 700 N 0.85 4.96 0.35 2.29 -1.08 -1.26 -0.59 116.67 122.19 3r1r s ASP 700 Ca -0.08 -0.83 0.07 0.00 -0.52 0.00 0.00 52.55 51.18 3r1r s ASP 700 Cb -0.11 -1.82 0.75 0.00 -1.46 0.00 0.00 42.92 40.27 3r1r s ASP 700 CO -0.02 -0.20 1.91 -0.65 0.52 0.00 0.00 175.17 176.74 3r1r h PRO 701 N 8.17 0.74 -0.73 4.34 0.11 -1.85 -0.52 132.00 142.26 3r1r h PRO 701 Ca -0.30 -0.04 0.21 0.00 0.11 0.00 0.00 66.00 65.98 3r1r h PRO 701 Cb 1.11 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 3r1r h PRO 701 CO 0.59 0.49 0.69 0.77 -0.21 0.00 0.00 178.00 180.33 3r1r h SER 702 N 0.76 0.00 -0.07 -2.05 0.02 -1.93 -0.41 113.55 109.87 3r1r h SER 702 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3r1r h SER 702 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3r1r h SER 702 CO -0.15 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.08 3r1r n ARG 703 N -3.76 1.38 -4.42 3.45 1.74 -0.20 -4.89 116.66 109.96 3r1r n ARG 703 Ca 0.15 -0.57 -0.24 0.00 -0.77 0.00 0.00 57.85 56.41 3r1r n ARG 703 Cb 0.95 -1.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.87 3r1r n ARG 703 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3r1r s PHE 704 N -1.92 1.77 0.12 -1.55 0.08 -0.16 -5.08 117.98 111.25 3r1r s PHE 704 Ca 0.34 -0.40 -0.35 0.00 0.12 0.00 0.00 56.93 56.63 3r1r s PHE 704 Cb 0.17 -1.01 -0.15 0.00 -0.57 0.00 0.00 43.02 41.46 3r1r s PHE 704 CO 0.27 0.16 1.45 -0.35 -0.10 0.00 0.00 175.22 176.64 3r1r n PRO 705 N 1.39 1.60 -1.85 0.24 -0.04 -1.26 -0.54 135.00 134.54 3r1r n PRO 705 Ca -0.19 0.58 -0.20 0.00 -0.04 0.00 0.00 63.50 63.65 3r1r n PRO 705 Cb 0.53 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 3r1r n PRO 705 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3r1r n SER 706 N 2.92 -5.52 -2.93 3.54 7.64 -1.26 -2.53 113.62 115.48 3r1r n SER 706 Ca 0.18 0.32 -0.17 0.00 1.01 0.00 0.00 58.87 60.22 3r1r n SER 706 Cb 0.23 -4.71 -0.01 0.00 -1.01 0.00 0.00 64.21 58.72 3r1r n SER 706 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3r1r n GLY 707 N -0.68 -0.49 3.00 0.23 0.00 0.30 -4.96 105.19 102.59 3r1r n GLY 707 Ca -0.21 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3r1r n GLY 707 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3r1r s LYS 708 N -5.53 2.07 0.05 1.61 -2.85 -1.05 -4.75 119.74 109.29 3r1r s LYS 708 Ca 0.21 -0.88 -0.30 0.00 -1.00 0.00 0.00 55.97 54.00 3r1r s LYS 708 Cb -0.11 -2.46 -0.09 0.00 -2.06 0.00 0.00 37.83 33.11 3r1r s LYS 708 CO 0.25 -0.43 1.90 0.08 0.10 0.00 0.00 175.35 177.25 3r1r s VAL 709 N 1.37 2.94 0.32 1.79 1.01 -1.26 -4.74 120.40 121.83 3r1r s VAL 709 Ca -0.02 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 3r1r s VAL 709 Cb -0.16 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 3r1r s VAL 709 CO -0.08 -0.01 1.30 -2.16 0.00 0.00 0.00 175.10 174.15 3r1r s PRO 710 N 3.93 4.37 0.31 2.72 0.04 -1.26 -4.93 135.00 140.19 3r1r s PRO 710 Ca 0.85 2.18 0.02 0.00 0.04 0.00 0.00 61.00 64.09 3r1r s PRO 710 Cb -0.43 -3.09 0.50 0.00 0.04 0.00 0.00 34.50 31.53 3r1r s PRO 710 CO 0.39 -0.18 1.84 1.98 0.04 0.00 0.00 177.00 181.08 3r1r h MET 711 N 3.62 0.65 -0.42 4.56 4.05 -1.99 -1.38 114.93 124.02 3r1r h MET 711 Ca -0.48 -0.14 0.08 0.00 -0.28 0.00 0.00 59.70 58.87 3r1r h MET 711 Cb 1.22 -0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.86 3r1r h MET 711 CO 0.67 0.64 -0.01 0.37 0.23 0.00 0.00 176.91 178.81 3r1r h GLN 712 N 0.62 0.09 -0.52 0.39 5.75 -1.99 0.26 115.11 119.72 3r1r h GLN 712 Ca 0.13 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3r1r h GLN 712 Cb 0.34 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3r1r h GLN 712 CO 0.01 0.06 0.31 0.37 -2.65 0.00 0.00 178.83 176.93 3r1r h GLN 713 N 0.09 0.59 -0.61 1.69 5.75 -1.66 0.15 115.11 121.11 3r1r h GLN 713 Ca 0.21 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3r1r h GLN 713 Cb 0.30 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3r1r h GLN 713 CO -0.36 0.39 0.38 -0.07 -2.65 0.00 0.00 178.83 176.52 3r1r h LEU 714 N 0.61 0.72 -0.51 -2.39 3.38 -0.30 -1.37 115.31 115.45 3r1r h LEU 714 Ca 0.21 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 3r1r h LEU 714 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3r1r h LEU 714 CO -0.10 0.56 -0.50 -0.07 0.09 0.00 0.00 178.44 178.43 3r1r h LEU 715 N 0.82 0.70 -0.14 1.67 3.38 -0.06 -2.18 115.31 119.51 3r1r h LEU 715 Ca 0.22 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3r1r h LEU 715 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3r1r h LEU 715 CO -0.04 1.08 -0.05 0.50 0.09 0.00 0.00 178.44 180.02 3r1r h LYS 716 N 0.51 -0.03 -0.54 1.13 1.63 -0.42 0.64 116.57 119.49 3r1r h LYS 716 Ca 0.02 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 3r1r h LYS 716 Cb 1.04 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 3r1r h LYS 716 CO 0.10 -0.02 0.14 -0.44 -3.45 0.00 0.00 179.45 175.78 3r1r h ASP 717 N -0.03 0.76 -0.53 4.20 3.32 -1.19 0.41 116.42 123.36 3r1r h ASP 717 Ca 0.07 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3r1r h ASP 717 Cb 0.13 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3r1r h ASP 717 CO -0.16 0.74 0.30 0.25 -1.72 0.00 0.00 179.24 178.66 3r1r h LEU 718 N 0.79 0.66 -0.43 1.55 5.85 -0.70 -1.69 115.31 121.34 3r1r h LEU 718 Ca 0.18 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3r1r h LEU 718 Cb 0.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3r1r h LEU 718 CO -0.00 0.55 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.45 3r1r h LEU 719 N 0.72 0.86 -0.13 2.25 3.38 -0.28 -2.40 115.31 119.71 3r1r h LEU 719 Ca 0.19 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3r1r h LEU 719 Cb 0.03 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3r1r h LEU 719 CO -0.03 1.03 -0.34 0.74 0.09 0.00 0.00 178.44 179.94 3r1r h THR 720 N 0.67 0.26 -0.50 0.22 2.02 -0.76 0.22 112.91 115.04 3r1r h THR 720 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 3r1r h THR 720 Cb 0.67 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 3r1r h THR 720 CO 0.05 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.05 3r1r h ALA 721 N 0.37 0.57 -0.51 6.16 0.00 -1.19 0.61 119.26 125.27 3r1r h ALA 721 Ca 0.09 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3r1r h ALA 721 Cb 0.56 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3r1r h ALA 721 CO -0.36 -0.30 0.32 -0.92 0.00 0.00 0.00 179.25 177.99 3r1r h TYR 722 N 0.25 0.60 -0.85 0.00 3.20 -0.78 -0.11 116.97 119.28 3r1r h TYR 722 Ca 0.25 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.28 3r1r h TYR 722 Cb 0.33 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3r1r h TYR 722 CO -0.22 0.36 0.56 -0.22 -1.64 0.00 0.00 178.16 177.00 3r1r h LYS 723 N 0.65 0.58 -0.66 1.82 3.64 0.17 -0.65 116.57 122.11 3r1r h LYS 723 Ca 0.20 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3r1r h LYS 723 Cb -0.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3r1r h LYS 723 CO -0.07 0.38 0.06 1.19 -2.27 0.00 0.00 179.45 178.74 3r1r n PHE 724 N -4.53 1.95 -1.22 1.91 3.72 -0.78 -4.61 117.46 113.90 3r1r n PHE 724 Ca 0.17 -0.75 -0.08 0.00 -0.05 0.00 0.00 57.45 56.74 3r1r n PHE 724 Cb 0.50 -0.51 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 3r1r n PHE 724 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3r1r n GLY 725 N 0.41 0.97 3.69 1.37 0.00 -0.25 -4.50 105.19 106.88 3r1r n GLY 725 Ca 0.27 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3r1r n GLY 725 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3r1r s VAL 726 N -2.28 2.62 -0.05 1.61 1.01 -0.09 -4.89 120.40 118.34 3r1r s VAL 726 Ca 0.00 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 3r1r s VAL 726 Cb 0.00 -3.03 -0.17 0.00 0.00 0.00 0.00 36.38 33.18 3r1r s VAL 726 CO 0.00 -0.00 0.95 0.11 0.00 0.00 0.00 175.10 176.16 3r1r h LYS 727 N 8.95 -0.19 -5.27 2.72 1.57 -1.89 -3.43 116.57 119.03 3r1r h LYS 727 Ca -0.47 0.01 -0.41 0.00 -1.87 0.00 0.00 60.65 57.92 3r1r h LYS 727 Cb 1.22 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 3r1r h LYS 727 CO 0.95 0.26 -0.69 0.95 -0.57 0.00 0.00 179.45 180.34 3r1r s THR 728 N -3.59 1.34 -0.07 -0.16 -4.23 -1.26 0.33 115.64 107.99 3r1r s THR 728 Ca -0.13 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 3r1r s THR 728 Cb 0.01 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.68 3r1r s THR 728 CO 0.51 -0.47 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.30 3r1r s LEU 729 N -3.30 1.21 0.00 4.79 1.43 -0.30 -4.35 118.68 118.15 3r1r s LEU 729 Ca 0.25 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3r1r s LEU 729 Cb 0.03 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.61 3r1r s LEU 729 CO 0.07 -0.08 0.00 0.00 0.23 0.00 0.00 176.35 176.57 3r1r n TYR 730 N 4.47 0.00 -1.16 0.29 9.36 0.80 -2.13 117.16 128.79 3r1r n TYR 730 Ca -0.17 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.67 3r1r n TYR 730 Cb 0.51 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.25 3r1r n TYR 730 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3r1r n TYR 731 N 0.00 -3.16 -3.98 2.98 4.01 -1.26 -4.70 117.16 111.06 3r1r n TYR 731 Ca 0.00 0.26 -0.34 0.00 -0.16 0.00 0.00 57.90 57.67 3r1r n TYR 731 Cb 0.00 -1.66 -0.14 0.00 -0.31 0.00 0.00 39.34 37.23 3r1r n TYR 731 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3r1r s GLN 732 N -1.80 2.55 -0.18 -0.72 0.74 -1.12 -1.42 119.66 117.71 3r1r s GLN 732 Ca 0.53 -1.17 -0.19 0.00 0.05 0.00 0.00 55.36 54.59 3r1r s GLN 732 Cb -0.35 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 3r1r s GLN 732 CO 0.70 -0.51 0.52 -0.80 -0.55 0.00 0.00 175.29 174.65 3r1r s ASN 733 N 1.24 6.60 -0.23 6.67 0.01 0.15 -4.61 114.94 124.76 3r1r s ASN 733 Ca -0.04 0.72 -0.07 0.00 -0.71 0.00 0.00 52.86 52.76 3r1r s ASN 733 Cb -0.18 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 3r1r s ASN 733 CO -0.04 -0.15 0.05 -0.89 -1.51 0.00 0.00 177.10 174.56 3r1r s THR 734 N 1.44 4.23 0.63 1.60 2.01 -1.26 -0.04 115.64 124.25 3r1r s THR 734 Ca 0.25 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 3r1r s THR 734 Cb -0.15 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 3r1r s THR 734 CO 0.10 0.38 1.16 -0.60 -0.69 0.00 0.00 174.62 174.96 3r1r s ARG 735 N 1.33 2.82 -0.31 4.92 3.52 0.24 -4.97 118.95 126.50 3r1r s ARG 735 Ca 0.05 1.63 0.06 0.00 -0.13 0.00 0.00 55.73 57.33 3r1r s ARG 735 Cb -0.15 -1.93 0.19 0.00 -1.56 0.00 0.00 34.95 31.50 3r1r s ARG 735 CO 0.03 -1.28 0.58 -0.51 -0.81 0.00 0.00 175.30 173.30 3r1r s ASP 736 N -2.04 -1.40 0.00 -2.12 1.11 -1.26 -4.53 116.67 106.42 3r1r s ASP 736 Ca 0.72 -0.05 0.17 0.00 0.18 0.00 0.00 52.55 53.57 3r1r s ASP 736 Cb -0.26 1.92 0.14 0.00 1.07 0.00 0.00 42.92 45.79 3r1r s ASP 736 CO 0.37 -0.28 1.04 0.61 1.18 0.00 0.00 175.17 178.09