#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3r h ASP 2 N 0.00 0.24 0.22 0.00 5.19 -1.94 0.33 116.42 120.46 3m3r h ASP 2 Ca 0.00 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3m3r h ASP 2 Cb 0.00 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.63 3m3r h ASP 2 CO 0.00 0.05 -0.06 0.77 -3.12 0.00 0.00 179.24 176.88 3m3r h SER 3 N 0.40 0.00 0.87 6.45 4.64 -1.90 -0.42 113.55 123.59 3m3r h SER 3 Ca 0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3m3r h SER 3 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3m3r h SER 3 CO -0.46 0.06 -0.00 0.44 -0.87 0.00 0.00 176.83 175.99 3m3r h ASP 4 N 0.00 0.00 0.00 4.97 3.45 -0.65 -2.84 116.42 121.35 3m3r h ASP 4 Ca -0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3m3r h ASP 4 Cb 0.18 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.90 3m3r h ASP 4 CO 0.01 0.00 -0.50 2.30 -1.57 0.00 0.00 179.24 179.48 3m3r n ILE 5 N -3.09 1.83 -2.78 0.35 -5.35 -0.28 -4.98 119.36 105.06 3m3r n ILE 5 Ca 0.00 -2.75 -0.22 0.00 -0.27 0.00 0.00 62.75 59.52 3m3r n ILE 5 Cb 0.27 -0.07 0.02 0.00 -1.74 0.00 0.00 39.64 38.12 3m3r n ILE 5 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3m3r n ASN 6 N -0.94 -5.98 -4.36 7.28 4.13 -1.07 -5.01 115.26 109.30 3m3r n ASN 6 Ca 0.16 -0.18 -0.32 0.00 1.68 0.00 0.00 54.58 55.92 3m3r n ASN 6 Cb 0.74 -4.89 -0.15 0.00 -1.54 0.00 0.00 39.78 33.94 3m3r n ASN 6 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3m3r s ILE 7 N -3.12 2.71 -0.01 2.41 1.01 -0.51 -4.99 121.20 118.70 3m3r s ILE 7 Ca 0.18 -0.82 -0.37 0.00 0.00 0.00 0.00 60.65 59.65 3m3r s ILE 7 Cb -0.08 -2.07 -0.15 0.00 0.01 0.00 0.00 42.46 40.16 3m3r s ILE 7 CO 0.23 0.56 1.56 0.29 0.00 0.00 0.00 174.94 177.57 3m3r n LYS 8 N 3.00 1.49 -1.56 2.79 5.02 -1.26 -3.18 118.16 124.46 3m3r n LYS 8 Ca -0.18 0.54 -0.51 0.00 -2.02 0.00 0.00 58.31 56.14 3m3r n LYS 8 Cb 0.52 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.24 3m3r n LYS 8 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3m3r n THR 9 N 3.55 0.55 0.00 -0.18 -1.04 -1.26 -1.39 114.28 114.51 3m3r n THR 9 Ca 0.21 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3m3r n THR 9 Cb 0.21 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 3m3r n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m3r n GLY 10 N 2.07 2.89 0.46 3.41 0.00 -1.26 -4.88 105.19 107.88 3m3r n GLY 10 Ca 0.17 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.47 3m3r n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3m3r h THR 11 N 0.00 0.48 -0.02 2.61 2.02 -1.58 -0.54 112.91 115.88 3m3r h THR 11 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3m3r h THR 11 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3m3r h THR 11 CO 0.00 0.04 -0.14 0.41 0.37 0.00 0.00 175.52 176.20 3m3r n THR 12 N -4.43 0.00 -2.49 3.16 -1.04 -1.26 -4.98 114.28 103.24 3m3r n THR 12 Ca 0.25 -0.30 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 3m3r n THR 12 Cb 1.03 0.90 -0.04 0.00 -1.82 0.00 0.00 70.33 70.41 3m3r n THR 12 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3m3r s ASP 13 N -2.19 6.48 0.24 8.00 1.01 -0.21 -5.05 116.67 124.95 3m3r s ASP 13 Ca 0.29 1.75 -0.10 0.00 0.71 0.00 0.00 52.55 55.20 3m3r s ASP 13 Cb 0.20 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 3m3r s ASP 13 CO 0.41 -0.68 0.56 -0.63 0.21 0.00 0.00 175.17 175.04 3m3r s ILE 14 N -2.29 4.92 0.00 0.77 1.01 -1.26 -4.62 121.20 119.74 3m3r s ILE 14 Ca 0.63 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.75 3m3r s ILE 14 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3m3r s ILE 14 CO 0.24 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.69 3m3r n GLY 15 N -0.23 1.30 3.67 6.18 0.00 -1.26 -5.10 105.19 109.75 3m3r n GLY 15 Ca 0.01 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3m3r n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m3r n SER 16 N 0.03 2.06 -3.84 1.61 3.41 -1.26 -2.63 113.62 113.00 3m3r n SER 16 Ca 0.00 1.07 -0.27 0.00 -0.26 0.00 0.00 58.87 59.42 3m3r n SER 16 Cb 0.00 -1.45 0.03 0.00 -0.26 0.00 0.00 64.21 62.53 3m3r n SER 16 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3m3r n ASN 17 N 0.26 -3.30 -3.87 4.04 4.05 -1.26 -4.98 115.26 110.21 3m3r n ASN 17 Ca 0.08 -0.80 -0.16 0.00 0.45 0.00 0.00 54.58 54.15 3m3r n ASN 17 Cb 0.40 -3.91 -0.15 0.00 1.23 0.00 0.00 39.78 37.34 3m3r n ASN 17 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3m3r s THR 18 N -3.46 0.22 -0.40 -0.44 2.01 -1.08 -4.95 115.64 107.53 3m3r s THR 18 Ca 0.40 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.13 3m3r s THR 18 Cb -0.20 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.08 3m3r s THR 18 CO 0.83 0.11 0.89 -0.89 -0.69 0.00 0.00 174.62 174.87 3m3r s THR 19 N 0.53 4.58 -0.04 -0.82 2.01 -1.26 -5.02 115.64 115.62 3m3r s THR 19 Ca -0.05 0.95 -0.18 0.00 0.31 0.00 0.00 61.69 62.71 3m3r s THR 19 Cb -0.08 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 3m3r s THR 19 CO -0.01 -0.62 0.51 -0.69 -0.69 0.00 0.00 174.62 173.12 3m3r s VAL 20 N 3.49 5.02 -0.20 3.82 1.01 -1.26 -4.73 120.40 127.54 3m3r s VAL 20 Ca 0.36 1.06 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 3m3r s VAL 20 Cb -0.12 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3m3r s VAL 20 CO 0.21 0.43 0.05 -0.54 0.00 0.00 0.00 175.10 175.25 3m3r s LYS 21 N -0.17 3.80 0.37 2.72 -0.14 -1.04 -4.95 119.74 120.33 3m3r s LYS 21 Ca 0.28 -0.43 0.08 0.00 -1.36 0.00 0.00 55.97 54.54 3m3r s LYS 21 Cb -0.17 -3.20 -0.07 0.00 -1.68 0.00 0.00 37.83 32.71 3m3r s LYS 21 CO 0.14 0.10 -0.05 0.95 -0.76 0.00 0.00 175.35 175.73 3m3r s THR 22 N 0.83 2.10 0.11 2.17 -4.23 -1.26 -0.30 115.64 115.06 3m3r s THR 22 Ca 0.03 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.17 3m3r s THR 22 Cb -0.14 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 71.01 3m3r s THR 22 CO 0.02 -0.13 0.72 -0.83 -0.54 0.00 0.00 174.62 173.86 3m3r s GLY 23 N -3.64 -0.53 -0.05 3.99 0.00 -0.87 -4.99 107.32 101.24 3m3r s GLY 23 Ca 0.33 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.70 3m3r s GLY 23 CO 0.17 0.21 -0.06 -0.35 0.00 0.00 0.00 173.10 173.07 3m3r s ASP 24 N -2.67 1.04 -0.12 1.64 2.15 -1.26 -1.12 116.67 116.34 3m3r s ASP 24 Ca 0.03 -0.15 -0.00 0.00 0.43 0.00 0.00 52.55 52.86 3m3r s ASP 24 Cb -0.01 -0.50 0.02 0.00 -0.30 0.00 0.00 42.92 42.13 3m3r s ASP 24 CO -0.10 -0.04 -0.09 -0.76 -0.17 0.00 0.00 175.17 174.01 3m3r s LEU 25 N 0.85 1.28 -0.06 -1.34 2.01 -0.60 -5.00 118.68 115.81 3m3r s LEU 25 Ca -0.12 -0.33 0.00 0.00 0.01 0.00 0.00 54.13 53.69 3m3r s LEU 25 Cb -0.15 -0.89 -0.03 0.00 0.01 0.00 0.00 46.19 45.13 3m3r s LEU 25 CO 0.01 -0.10 -0.04 -0.69 1.01 0.00 0.00 176.35 176.53 3m3r s VAL 26 N 1.62 3.91 -0.10 -1.59 1.01 -1.26 -1.10 120.40 122.89 3m3r s VAL 26 Ca 0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3m3r s VAL 26 Cb -0.13 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.68 3m3r s VAL 26 CO -0.08 0.57 0.20 -0.89 0.00 0.00 0.00 175.10 174.91 3m3r s THR 27 N -0.86 -0.30 -0.27 3.92 2.01 0.73 -5.01 115.64 115.85 3m3r s THR 27 Ca 0.13 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 3m3r s THR 27 Cb -0.11 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 3m3r s THR 27 CO 0.03 0.13 0.17 -0.47 -0.69 0.00 0.00 174.62 173.78 3m3r s TYR 28 N 2.25 3.20 -0.58 4.92 6.04 -1.26 -1.16 117.35 130.76 3m3r s TYR 28 Ca 0.01 0.03 -0.12 0.00 0.04 0.00 0.00 57.07 57.03 3m3r s TYR 28 Cb -0.12 -2.34 0.15 0.00 -1.04 0.00 0.00 41.96 38.60 3m3r s TYR 28 CO -0.07 -0.17 0.49 0.34 -1.54 0.00 0.00 175.55 174.60 3m3r s ASP 29 N 1.67 6.06 0.10 4.32 3.68 -0.27 -4.96 116.67 127.27 3m3r s ASP 29 Ca 0.07 -2.08 -0.19 0.00 2.13 0.00 0.00 52.55 52.48 3m3r s ASP 29 Cb -0.16 -2.11 -0.07 0.00 -1.45 0.00 0.00 42.92 39.13 3m3r s ASP 29 CO 0.09 -0.71 1.65 0.50 0.13 0.00 0.00 175.17 176.83 3m3r h LYS 30 N 8.40 0.37 -0.41 4.34 3.64 -1.96 0.11 116.57 131.06 3m3r h LYS 30 Ca -0.17 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3m3r h LYS 30 Cb 1.07 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3m3r h LYS 30 CO 0.90 0.40 0.27 1.49 -2.27 0.00 0.00 179.45 180.24 3m3r h GLU 31 N 0.25 0.42 -0.13 1.90 4.81 -1.98 -0.78 114.58 119.07 3m3r h GLU 31 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3m3r h GLU 31 Cb 0.17 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3m3r h GLU 31 CO -0.01 0.28 0.00 0.09 -0.73 0.00 0.00 179.01 178.64 3m3r n ASN 32 N -4.48 2.75 -3.71 1.04 3.02 -1.12 -4.99 115.26 107.78 3m3r n ASN 32 Ca 0.04 -1.89 -0.29 0.00 -0.03 0.00 0.00 54.58 52.41 3m3r n ASN 32 Cb 0.16 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3m3r n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m3r n GLY 33 N 1.34 -0.82 2.80 7.41 0.00 0.26 -4.79 105.19 111.39 3m3r n GLY 33 Ca 0.16 0.39 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 3m3r n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m3r s MET 34 N -6.00 0.83 -0.51 1.61 -1.94 -0.41 -2.09 119.30 110.80 3m3r s MET 34 Ca 0.36 0.01 -0.19 0.00 -1.71 0.00 0.00 55.69 54.17 3m3r s MET 34 Cb -0.13 -1.13 0.06 0.00 2.01 0.00 0.00 34.83 35.64 3m3r s MET 34 CO 0.86 -0.30 0.61 -1.58 -0.01 0.00 0.00 175.02 174.59 3m3r s HIS 35 N 1.91 3.07 -0.24 -0.03 2.46 -0.87 -1.12 115.29 120.46 3m3r s HIS 35 Ca 0.05 -0.59 -0.07 0.00 0.47 0.00 0.00 55.06 54.92 3m3r s HIS 35 Cb -0.12 -3.52 -0.03 0.00 -0.13 0.00 0.00 32.58 28.78 3m3r s HIS 35 CO -0.06 -1.02 0.06 0.15 -2.47 0.00 0.00 174.74 171.40 3m3r s LYS 36 N 2.53 3.63 -0.06 2.88 1.02 -0.31 -0.22 119.74 129.21 3m3r s LYS 36 Ca 0.14 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.66 3m3r s LYS 36 Cb -0.20 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3m3r s LYS 36 CO 0.11 -0.18 -0.13 0.21 -0.92 0.00 0.00 175.35 174.44 3m3r s LYS 37 N 1.58 1.74 -0.19 1.68 2.36 -1.24 -0.20 119.74 125.46 3m3r s LYS 37 Ca 0.06 -0.43 -0.05 0.00 -2.55 0.00 0.00 55.97 53.00 3m3r s LYS 37 Cb -0.15 -1.43 -0.02 0.00 -1.05 0.00 0.00 37.83 35.17 3m3r s LYS 37 CO 0.03 0.04 -0.01 0.08 1.55 0.00 0.00 175.35 177.04 3m3r s VAL 38 N 0.63 3.93 -0.23 4.02 1.01 -0.26 -0.64 120.40 128.85 3m3r s VAL 38 Ca -0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3m3r s VAL 38 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3m3r s VAL 38 CO 0.04 0.44 -0.06 0.12 0.00 0.00 0.00 175.10 175.64 3m3r s PHE 39 N 0.86 3.00 0.30 5.22 5.36 0.49 -1.56 117.98 131.65 3m3r s PHE 39 Ca 0.00 -1.32 0.10 0.00 -0.96 0.00 0.00 56.93 54.75 3m3r s PHE 39 Cb -0.14 -2.07 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 3m3r s PHE 39 CO 0.02 -0.67 -0.05 1.52 -1.46 0.00 0.00 175.22 174.58 3m3r s TYR 40 N 1.38 2.52 -0.19 10.12 1.13 -0.27 0.11 117.35 132.15 3m3r s TYR 40 Ca 0.03 -0.35 -0.05 0.00 -1.41 0.00 0.00 57.07 55.29 3m3r s TYR 40 Cb -0.15 -1.27 0.09 0.00 -1.10 0.00 0.00 41.96 39.53 3m3r s TYR 40 CO -0.05 0.58 0.36 -1.12 -2.51 0.00 0.00 175.55 172.81 3m3r s SER 41 N -3.65 0.11 -0.25 -0.18 0.01 -0.27 -2.05 113.70 107.42 3m3r s SER 41 Ca 0.32 0.64 -0.19 0.00 1.31 0.00 0.00 55.95 58.04 3m3r s SER 41 Cb -0.03 1.07 -0.03 0.00 0.21 0.00 0.00 66.02 67.25 3m3r s SER 41 CO 0.18 -0.25 0.54 -0.36 0.41 0.00 0.00 173.24 173.76 3m3r s PHE 42 N 2.53 3.29 -0.27 2.43 0.40 0.59 -0.77 117.98 126.19 3m3r s PHE 42 Ca 0.03 0.70 0.02 0.00 -0.60 0.00 0.00 56.93 57.08 3m3r s PHE 42 Cb -0.13 -2.74 0.06 0.00 0.51 0.00 0.00 43.02 40.72 3m3r s PHE 42 CO -0.12 -0.26 -0.09 0.42 0.70 0.00 0.00 175.22 175.87 3m3r s ILE 43 N 2.23 2.31 -0.87 0.64 1.01 0.04 -2.50 121.20 124.06 3m3r s ILE 43 Ca 0.23 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 59.26 3m3r s ILE 43 Cb -0.16 -2.37 0.27 0.00 0.01 0.00 0.00 42.46 40.22 3m3r s ILE 43 CO 0.09 -0.06 1.08 -0.67 0.00 0.00 0.00 174.94 175.38 3m3r n ASP 44 N 4.46 5.02 -4.59 3.58 4.64 -1.26 -0.95 116.55 127.45 3m3r n ASP 44 Ca -0.13 -3.40 -0.42 0.00 -1.38 0.00 0.00 54.79 49.46 3m3r n ASP 44 Cb 0.42 -0.98 -0.02 0.00 -1.04 0.00 0.00 41.12 39.50 3m3r n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3m3r s ASP 45 N -1.91 6.29 0.38 1.67 3.68 -1.26 -4.90 116.67 120.62 3m3r s ASP 45 Ca 0.35 0.52 0.24 0.00 2.13 0.00 0.00 52.55 55.78 3m3r s ASP 45 Cb 0.08 -2.54 1.29 0.00 -1.45 0.00 0.00 42.92 40.29 3m3r s ASP 45 CO 0.03 -1.53 1.71 0.11 0.13 0.00 0.00 175.17 175.62 3m3r h LYS 46 N 10.65 0.00 -0.10 4.34 1.79 -1.93 0.14 116.57 131.45 3m3r h LYS 46 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3m3r h LYS 46 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 3m3r h LYS 46 CO 1.13 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 179.59 3m3r n ASN 47 N -2.35 2.08 -4.69 0.86 3.02 -1.26 -4.82 115.26 108.10 3m3r n ASN 47 Ca -0.02 -1.72 -0.35 0.00 -0.03 0.00 0.00 54.58 52.47 3m3r n ASN 47 Cb 0.09 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.11 3m3r n ASN 47 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3m3r s HIS 48 N -1.88 3.18 -1.74 3.10 2.46 0.47 -5.01 115.29 115.88 3m3r s HIS 48 Ca 0.35 0.20 0.09 0.00 0.47 0.00 0.00 55.06 56.17 3m3r s HIS 48 Cb 0.20 -1.80 0.49 0.00 -0.13 0.00 0.00 32.58 31.34 3m3r s HIS 48 CO 0.31 0.47 1.06 0.27 -2.47 0.00 0.00 174.74 174.38 3m3r n ASN 49 N 2.17 0.00 -3.82 9.88 6.94 -1.26 -4.78 115.26 124.40 3m3r n ASN 49 Ca -0.19 -0.08 -0.10 0.00 -0.02 0.00 0.00 54.58 54.20 3m3r n ASN 49 Cb 0.54 -0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 37.78 3m3r n ASN 49 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3m3r s LYS 50 N -2.26 1.26 0.36 -3.83 1.02 -1.26 -4.71 119.74 110.32 3m3r s LYS 50 Ca 0.11 -0.97 -0.19 0.00 0.02 0.00 0.00 55.97 54.94 3m3r s LYS 50 Cb 0.06 0.46 -0.10 0.00 -0.52 0.00 0.00 37.83 37.73 3m3r s LYS 50 CO 0.12 -0.51 0.85 0.15 -0.92 0.00 0.00 175.35 175.04 3m3r s LYS 51 N -3.90 4.17 0.10 1.68 1.02 -0.12 -4.63 119.74 118.06 3m3r s LYS 51 Ca 0.11 0.94 0.09 0.00 0.02 0.00 0.00 55.97 57.13 3m3r s LYS 51 Cb 0.01 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 3m3r s LYS 51 CO -0.03 0.11 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.78 3m3r s LEU 52 N -2.90 2.28 -0.05 3.17 1.43 -0.12 -1.42 118.68 121.06 3m3r s LEU 52 Ca 0.56 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3m3r s LEU 52 Cb -0.11 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.18 3m3r s LEU 52 CO 0.16 0.10 -0.04 -0.22 0.23 0.00 0.00 176.35 176.58 3m3r s LEU 53 N -1.80 1.14 -0.24 1.79 2.96 -0.20 -0.78 118.68 121.55 3m3r s LEU 53 Ca 0.08 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3m3r s LEU 53 Cb -0.10 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 3m3r s LEU 53 CO 0.04 -0.09 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.29 3m3r s VAL 54 N 1.21 3.62 -0.23 1.68 1.01 0.05 -0.50 120.40 127.25 3m3r s VAL 54 Ca -0.06 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3m3r s VAL 54 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3m3r s VAL 54 CO -0.02 0.33 0.05 -0.63 0.00 0.00 0.00 175.10 174.84 3m3r s ILE 55 N 1.50 4.32 -0.26 2.22 1.01 0.13 -1.11 121.20 129.01 3m3r s ILE 55 Ca 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 3m3r s ILE 55 Cb -0.15 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3m3r s ILE 55 CO -0.01 0.38 0.02 -0.13 0.00 0.00 0.00 174.94 175.20 3m3r s ARG 56 N 1.24 3.18 -0.46 2.79 0.52 0.12 -0.80 118.95 125.54 3m3r s ARG 56 Ca 0.04 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.29 3m3r s ARG 56 Cb -0.15 -3.21 0.04 0.00 0.52 0.00 0.00 34.95 32.16 3m3r s ARG 56 CO 0.03 -0.35 0.54 0.95 0.02 0.00 0.00 175.30 176.49 3m3r s THR 57 N 1.48 4.98 0.00 0.02 -4.23 -0.19 -0.38 115.64 117.32 3m3r s THR 57 Ca 0.03 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3m3r s THR 57 Cb -0.16 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.51 3m3r s THR 57 CO -0.00 -0.61 0.00 0.29 -0.54 0.00 0.00 174.62 173.76 3m3r n LYS 58 N 5.89 2.52 0.00 3.99 5.02 0.18 -2.53 118.16 133.23 3m3r n LYS 58 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3m3r n LYS 58 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 3m3r n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m3r n GLY 59 N 5.00 -1.02 3.57 0.72 0.00 -1.26 -3.72 105.19 108.49 3m3r n GLY 59 Ca 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3m3r n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3m3r s THR 60 N 0.00 -0.00 -0.21 2.61 -1.32 0.69 -3.01 115.64 114.40 3m3r s THR 60 Ca 0.00 0.01 -0.21 0.00 -1.21 0.00 0.00 61.69 60.28 3m3r s THR 60 Cb 0.00 -0.92 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3m3r s THR 60 CO 0.00 0.00 0.63 -0.63 -2.21 0.00 0.00 174.62 172.42 3m3r s ILE 61 N 1.14 5.01 0.55 5.08 1.01 0.36 -2.05 121.20 132.29 3m3r s ILE 61 Ca -0.06 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 61.56 3m3r s ILE 61 Cb -0.05 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3m3r s ILE 61 CO -0.11 0.09 1.31 0.00 0.00 0.00 0.00 174.94 176.22 3m3r s ALA 62 N 2.07 2.75 -0.04 9.38 0.00 -0.89 -1.29 121.76 133.74 3m3r s ALA 62 Ca 0.28 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 53.24 3m3r s ALA 62 Cb -0.16 -3.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.27 3m3r s ALA 62 CO 0.10 -1.28 0.98 0.78 0.00 0.00 0.00 175.76 176.34 3m3r h GLY 63 N 1.35 -0.22 -0.97 0.00 0.00 -0.23 -3.44 103.07 99.55 3m3r h GLY 63 Ca -0.51 0.08 -0.21 0.00 0.00 0.00 0.00 47.33 46.70 3m3r h GLY 63 CO 0.57 -0.08 -0.23 -1.06 0.00 0.00 0.00 176.54 175.74 3m3r n GLN 64 N -4.94 -0.77 -1.62 4.80 6.02 -0.75 -4.30 117.38 115.82 3m3r n GLN 64 Ca -0.08 0.68 -0.43 0.00 -0.01 0.00 0.00 57.00 57.16 3m3r n GLN 64 Cb 0.27 -4.68 -0.03 0.00 1.02 0.00 0.00 30.24 26.81 3m3r n GLN 64 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3m3r n TYR 65 N -3.35 2.15 -3.63 1.08 4.19 -0.87 -4.74 117.16 111.99 3m3r n TYR 65 Ca -0.11 -0.20 -0.16 0.00 3.31 0.00 0.00 57.90 60.74 3m3r n TYR 65 Cb 0.46 -2.75 -0.07 0.00 0.49 0.00 0.00 39.34 37.47 3m3r n TYR 65 CO 0.00 0.00 0.00 -0.98 0.91 0.00 0.00 176.86 176.79 3m3r s ARG 66 N 5.68 0.88 -0.75 2.98 1.70 -0.24 -4.91 118.95 124.30 3m3r s ARG 66 Ca 0.97 0.01 -0.25 0.00 -0.47 0.00 0.00 55.73 56.00 3m3r s ARG 66 Cb -0.39 0.41 0.05 0.00 -0.57 0.00 0.00 34.95 34.45 3m3r s ARG 66 CO 0.38 -0.27 1.19 0.08 -1.08 0.00 0.00 175.30 175.60 3m3r s VAL 67 N -1.36 3.97 -0.10 4.99 1.01 -1.26 0.13 120.40 127.79 3m3r s VAL 67 Ca -0.12 -0.03 0.21 0.00 0.00 0.00 0.00 61.98 62.05 3m3r s VAL 67 Cb -0.02 -4.85 -0.24 0.00 0.00 0.00 0.00 36.38 31.26 3m3r s VAL 67 CO 0.06 -1.72 0.59 0.00 0.00 0.00 0.00 175.10 174.03 3m3r n TYR 68 N 8.68 0.28 -4.84 5.22 4.11 -0.83 -4.92 117.16 124.86 3m3r n TYR 68 Ca 0.04 0.08 -0.33 0.00 -0.00 0.00 0.00 57.90 57.70 3m3r n TYR 68 Cb 0.48 -0.69 -0.14 0.00 -0.00 0.00 0.00 39.34 38.99 3m3r n TYR 68 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3m3r s SER 69 N -4.88 3.92 -0.25 9.48 0.15 -0.95 -4.97 113.70 116.19 3m3r s SER 69 Ca -0.06 -0.33 -0.03 0.00 0.70 0.00 0.00 55.95 56.22 3m3r s SER 69 Cb 0.12 -1.47 0.10 0.00 -1.71 0.00 0.00 66.02 63.06 3m3r s SER 69 CO 0.87 0.19 0.19 -0.70 1.20 0.00 0.00 173.24 174.99 3m3r s GLU 70 N 0.19 0.20 -0.73 5.44 2.12 -1.26 0.17 118.70 124.83 3m3r s GLU 70 Ca -0.08 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.11 3m3r s GLU 70 Cb -0.15 -1.15 0.34 0.00 0.26 0.00 0.00 34.13 33.43 3m3r s GLU 70 CO 0.05 -0.87 1.28 0.39 -0.54 0.00 0.00 175.26 175.57 3m3r n GLU 71 N 5.29 3.97 0.00 4.30 1.02 -0.44 -4.98 120.64 129.79 3m3r n GLU 71 Ca -0.05 -4.75 0.00 0.00 -0.02 0.00 0.00 57.16 52.34 3m3r n GLU 71 Cb 0.46 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 3m3r n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3r n GLY 72 N -0.21 -3.43 0.15 0.62 0.00 -1.25 -4.10 105.19 96.97 3m3r n GLY 72 Ca 0.37 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3m3r n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3r h ALA 73 N 0.00 1.00 -0.02 4.61 0.00 -1.98 -3.26 119.26 119.61 3m3r h ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m3r h ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3m3r h ALA 73 CO 0.00 0.00 -0.12 0.09 0.00 0.00 0.00 179.25 179.22 3m3r n ASN 74 N -2.59 2.55 -3.89 0.00 5.03 -1.26 -0.92 115.26 114.18 3m3r n ASN 74 Ca 0.05 -1.78 -0.14 0.00 0.87 0.00 0.00 54.58 53.58 3m3r n ASN 74 Cb 0.44 0.13 -0.14 0.00 -1.02 0.00 0.00 39.78 39.19 3m3r n ASN 74 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3m3r s LYS 75 N -1.92 0.16 -0.17 3.52 1.02 -1.23 -1.38 119.74 119.73 3m3r s LYS 75 Ca 0.23 -0.04 -0.28 0.00 0.02 0.00 0.00 55.97 55.89 3m3r s LYS 75 Cb 0.17 -0.19 0.10 0.00 -0.52 0.00 0.00 37.83 37.39 3m3r s LYS 75 CO 0.34 0.01 0.84 0.45 -0.92 0.00 0.00 175.35 176.07 3m3r s SER 76 N 0.12 -0.56 0.05 2.83 0.15 -0.78 -1.33 113.70 114.17 3m3r s SER 76 Ca -0.01 0.83 0.08 0.00 0.70 0.00 0.00 55.95 57.55 3m3r s SER 76 Cb -0.03 0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 65.01 3m3r s SER 76 CO -0.00 -0.37 -0.22 -0.83 1.20 0.00 0.00 173.24 173.02 3m3r s GLY 77 N -0.53 1.20 -0.12 9.45 0.00 0.13 -0.70 107.32 116.74 3m3r s GLY 77 Ca -0.03 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.59 3m3r s GLY 77 CO 0.03 -1.04 -0.21 -2.27 0.00 0.00 0.00 173.10 169.60 3m3r s LEU 78 N -1.21 2.04 -0.12 0.66 2.96 0.02 -1.96 118.68 121.07 3m3r s LEU 78 Ca 0.09 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 3m3r s LEU 78 Cb -0.09 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 3m3r s LEU 78 CO 0.02 0.09 0.39 0.00 -1.32 0.00 0.00 176.35 175.53 3m3r s ALA 79 N 0.70 3.56 0.02 5.97 0.00 0.12 -0.41 121.76 131.72 3m3r s ALA 79 Ca -0.11 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 3m3r s ALA 79 Cb -0.16 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3m3r s ALA 79 CO 0.01 0.11 0.10 1.67 0.00 0.00 0.00 175.76 177.65 3m3r s TRP 80 N 0.31 0.13 -0.46 0.00 1.48 -0.82 -1.08 118.94 118.51 3m3r s TRP 80 Ca 0.21 -0.34 -0.29 0.00 -1.06 0.00 0.00 56.10 54.63 3m3r s TRP 80 Cb -0.14 -0.10 0.02 0.00 -1.16 0.00 0.00 33.47 32.09 3m3r s TRP 80 CO 0.08 -0.31 1.24 -1.25 -4.06 0.00 0.00 176.95 172.65 3m3r s PRO 81 N -1.91 3.66 0.00 3.25 0.04 -1.26 0.32 135.00 139.10 3m3r s PRO 81 Ca -0.11 0.69 0.25 0.00 0.04 0.00 0.00 61.00 61.86 3m3r s PRO 81 Cb -0.05 -3.95 0.42 0.00 0.04 0.00 0.00 34.50 30.95 3m3r s PRO 81 CO -0.01 -1.46 1.35 -1.13 0.04 0.00 0.00 177.00 175.79 3m3r n SER 82 N 8.21 0.81 -3.62 6.66 3.41 -0.25 -4.73 113.62 124.10 3m3r n SER 82 Ca 0.14 -0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 58.03 3m3r n SER 82 Cb 0.49 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.73 3m3r n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m3r s ALA 83 N -2.84 -1.92 0.03 7.33 0.00 -1.05 -0.66 121.76 122.65 3m3r s ALA 83 Ca 0.14 1.84 0.09 0.00 0.00 0.00 0.00 51.96 54.03 3m3r s ALA 83 Cb 0.18 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 3m3r s ALA 83 CO 0.68 -0.27 -0.26 -0.06 0.00 0.00 0.00 175.76 175.84 3m3r s PHE 84 N 0.01 2.34 -0.01 0.00 0.40 -0.35 -0.95 117.98 119.42 3m3r s PHE 84 Ca 0.01 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.85 3m3r s PHE 84 Cb -0.04 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 42.08 3m3r s PHE 84 CO -0.03 0.11 0.18 0.15 0.70 0.00 0.00 175.22 176.33 3m3r s LYS 85 N -1.15 0.50 -0.02 0.44 1.02 0.92 -0.28 119.74 121.17 3m3r s LYS 85 Ca 0.12 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.82 3m3r s LYS 85 Cb -0.10 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.45 3m3r s LYS 85 CO 0.02 -0.12 0.02 0.08 -0.92 0.00 0.00 175.35 174.43 3m3r s VAL 86 N -1.23 -0.03 -0.01 3.17 1.01 -0.70 0.52 120.40 123.13 3m3r s VAL 86 Ca -0.13 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3m3r s VAL 86 Cb -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.23 3m3r s VAL 86 CO 0.02 0.08 0.05 -1.10 0.00 0.00 0.00 175.10 174.15 3m3r s GLN 87 N 0.91 0.16 0.02 2.72 -0.21 -0.33 -0.64 119.66 122.29 3m3r s GLN 87 Ca -0.08 -0.10 0.08 0.00 0.02 0.00 0.00 55.36 55.28 3m3r s GLN 87 Cb -0.11 0.07 -0.02 0.00 1.00 0.00 0.00 33.01 33.94 3m3r s GLN 87 CO -0.02 -0.03 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.36 3m3r s LEU 88 N -0.41 2.11 -0.09 2.90 1.02 0.09 -0.78 118.68 123.53 3m3r s LEU 88 Ca -0.05 -0.51 -0.04 0.00 0.02 0.00 0.00 54.13 53.55 3m3r s LEU 88 Cb -0.03 -1.23 0.05 0.00 0.02 0.00 0.00 46.19 45.00 3m3r s LEU 88 CO 0.00 0.26 0.18 -1.58 0.02 0.00 0.00 176.35 175.24 3m3r s GLN 89 N -0.94 0.11 -0.16 1.70 0.74 -0.04 -2.21 119.66 118.85 3m3r s GLN 89 Ca 0.10 0.50 -0.14 0.00 0.05 0.00 0.00 55.36 55.88 3m3r s GLN 89 Cb -0.10 -0.18 -0.05 0.00 1.10 0.00 0.00 33.01 33.79 3m3r s GLN 89 CO 0.01 -0.22 0.28 -0.51 -0.55 0.00 0.00 175.29 174.30 3m3r s LEU 90 N 1.65 4.24 1.06 3.68 1.43 0.25 -1.41 118.68 129.58 3m3r s LEU 90 Ca -0.05 0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 3m3r s LEU 90 Cb -0.12 -2.35 0.21 0.00 0.03 0.00 0.00 46.19 43.96 3m3r s LEU 90 CO -0.07 0.10 0.97 -2.65 0.23 0.00 0.00 176.35 174.94 3m3r n PRO 91 N 3.58 -1.52 0.22 1.29 -0.02 -1.26 -4.83 135.00 132.46 3m3r n PRO 91 Ca -0.12 -0.40 0.15 0.00 -2.02 0.00 0.00 63.50 61.11 3m3r n PRO 91 Cb 0.52 -2.21 0.66 0.00 -0.02 0.00 0.00 33.50 32.46 3m3r n PRO 91 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3m3r h ASP 92 N -2.29 0.00 -0.88 2.55 5.19 -1.97 -3.04 116.42 115.98 3m3r h ASP 92 Ca -0.53 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.30 3m3r h ASP 92 Cb 1.31 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.57 3m3r h ASP 92 CO 0.44 0.00 0.75 -0.46 -3.12 0.00 0.00 179.24 176.86 3m3r n ASN 93 N -2.71 7.37 -4.27 6.45 6.94 -1.26 -4.91 115.26 122.86 3m3r n ASN 93 Ca 0.01 -3.59 -0.32 0.00 -0.02 0.00 0.00 54.58 50.66 3m3r n ASN 93 Cb 0.23 -1.01 -0.16 0.00 -2.36 0.00 0.00 39.78 36.48 3m3r n ASN 93 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3m3r s GLU 94 N -3.27 2.59 0.23 -3.83 0.41 -1.15 -4.99 118.70 108.68 3m3r s GLU 94 Ca 0.55 -0.90 0.23 0.00 -0.41 0.00 0.00 54.97 54.45 3m3r s GLU 94 Cb 0.43 -2.18 0.27 0.00 -1.78 0.00 0.00 34.13 30.87 3m3r s GLU 94 CO -0.02 0.37 1.33 -0.24 -0.49 0.00 0.00 175.26 176.21 3m3r h VAL 95 N 5.09 0.00 -4.09 2.63 3.04 -1.91 -3.46 116.25 117.55 3m3r h VAL 95 Ca -0.31 -0.79 -0.51 0.00 -1.01 0.00 0.00 66.70 64.09 3m3r h VAL 95 Cb 1.18 1.47 0.08 0.00 -2.01 0.00 0.00 31.29 32.01 3m3r h VAL 95 CO 0.47 0.00 0.44 0.00 -1.01 0.00 0.00 177.57 177.47 3m3r s ALA 96 N -3.24 2.67 0.07 3.17 0.00 -1.26 -4.81 121.76 118.36 3m3r s ALA 96 Ca 0.04 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3m3r s ALA 96 Cb 0.10 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3m3r s ALA 96 CO 0.72 -0.84 -0.08 -0.65 0.00 0.00 0.00 175.76 174.91 3m3r s GLN 97 N -3.31 0.72 -0.04 0.00 -0.21 -0.77 -4.93 119.66 111.12 3m3r s GLN 97 Ca 0.73 -1.05 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 3m3r s GLN 97 Cb -0.25 -0.34 -0.03 0.00 1.00 0.00 0.00 33.01 33.40 3m3r s GLN 97 CO 0.28 0.04 0.91 0.42 -2.12 0.00 0.00 175.29 174.82 3m3r s ILE 98 N -2.38 4.90 -0.06 1.08 1.01 -0.54 -0.97 121.20 124.24 3m3r s ILE 98 Ca 0.01 1.90 0.02 0.00 0.00 0.00 0.00 60.65 62.58 3m3r s ILE 98 Cb -0.03 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3m3r s ILE 98 CO -0.01 0.16 -0.03 -0.24 0.00 0.00 0.00 174.94 174.81 3m3r n SER 99 N 4.07 3.64 -3.85 3.58 2.88 -0.12 -4.64 113.62 119.17 3m3r n SER 99 Ca 0.05 -0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 3m3r n SER 99 Cb 0.51 0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 64.11 3m3r n SER 99 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3m3r s ASP 100 N -4.21 -0.21 0.04 -3.46 3.68 -1.17 -5.01 116.67 106.32 3m3r s ASP 100 Ca -0.06 -0.65 -0.27 0.00 2.13 0.00 0.00 52.55 53.70 3m3r s ASP 100 Cb 0.02 0.62 0.08 0.00 -1.45 0.00 0.00 42.92 42.19 3m3r s ASP 100 CO 0.16 -1.16 0.71 -0.72 0.13 0.00 0.00 175.17 174.30 3m3r s TYR 101 N -3.93 -0.52 -0.20 -5.34 1.13 -1.26 -1.07 117.35 106.15 3m3r s TYR 101 Ca 0.14 0.57 -0.22 0.00 -1.41 0.00 0.00 57.07 56.15 3m3r s TYR 101 Cb -0.02 0.50 0.06 0.00 -1.10 0.00 0.00 41.96 41.40 3m3r s TYR 101 CO 0.03 -0.68 0.60 -0.47 -2.51 0.00 0.00 175.55 172.53 3m3r s TYR 102 N -2.65 -0.65 0.99 -3.49 6.14 -0.09 -4.66 117.35 112.95 3m3r s TYR 102 Ca -0.02 1.52 -0.14 0.00 0.64 0.00 0.00 57.07 59.07 3m3r s TYR 102 Cb -0.01 0.24 0.18 0.00 0.42 0.00 0.00 41.96 42.80 3m3r s TYR 102 CO -0.04 -0.35 1.15 -1.25 0.64 0.00 0.00 175.55 175.70 3m3r s PRO 103 N 0.10 0.50 0.25 4.97 0.04 -1.26 0.16 135.00 139.76 3m3r s PRO 103 Ca -0.02 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.18 3m3r s PRO 103 Cb -0.04 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 3m3r s PRO 103 CO 0.02 -2.60 0.05 0.54 0.04 0.00 0.00 177.00 175.04 3m3r n ARG 104 N -4.02 0.98 -2.86 4.56 1.74 -1.26 -4.74 116.66 111.06 3m3r n ARG 104 Ca 0.09 -1.97 -0.41 0.00 -0.77 0.00 0.00 57.85 54.79 3m3r n ARG 104 Cb 0.59 0.84 -0.05 0.00 -1.02 0.00 0.00 32.46 32.83 3m3r n ARG 104 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3m3r s ASN 105 N -2.45 7.32 0.12 0.55 0.01 -1.26 -4.70 114.94 114.52 3m3r s ASN 105 Ca 0.07 1.58 0.04 0.00 -0.71 0.00 0.00 52.86 53.84 3m3r s ASN 105 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 3m3r s ASN 105 CO 0.05 -0.06 0.10 -0.94 -1.51 0.00 0.00 177.10 174.74 3m3r s SER 106 N 0.17 5.52 -0.41 -1.22 1.04 -1.26 -5.06 113.70 112.47 3m3r s SER 106 Ca 0.43 -0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.51 3m3r s SER 106 Cb -0.21 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.47 3m3r s SER 106 CO 0.26 0.13 1.08 -0.63 0.98 0.00 0.00 173.24 175.05 3m3r s ILE 107 N -1.55 4.37 0.73 -1.02 1.01 -1.26 -5.02 121.20 118.47 3m3r s ILE 107 Ca 0.30 1.36 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 3m3r s ILE 107 Cb -0.11 -4.50 0.03 0.00 0.01 0.00 0.00 42.46 37.89 3m3r s ILE 107 CO 0.23 -0.76 1.08 -1.81 0.00 0.00 0.00 174.94 173.67 3m3r s ASP 108 N 2.11 4.92 0.31 3.58 1.01 -1.26 -5.07 116.67 122.27 3m3r s ASP 108 Ca 0.45 1.75 0.03 0.00 0.71 0.00 0.00 52.55 55.48 3m3r s ASP 108 Cb -0.10 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3m3r s ASP 108 CO 0.24 -1.76 0.13 0.42 0.21 0.00 0.00 175.17 174.41 3m3r s THR 109 N -2.93 0.54 0.09 -1.27 -4.23 -1.26 -5.17 115.64 101.40 3m3r s THR 109 Ca 0.60 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 3m3r s THR 109 Cb -0.16 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.12 3m3r s THR 109 CO 0.54 0.00 0.22 -1.59 -0.54 0.00 0.00 174.62 173.25 3m3r s LYS 110 N -3.87 0.85 -0.05 3.99 -2.85 -1.26 -4.69 119.74 111.86 3m3r s LYS 110 Ca 0.35 -0.89 0.02 0.00 -1.00 0.00 0.00 55.97 54.44 3m3r s LYS 110 Cb 0.06 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 3m3r s LYS 110 CO 0.16 -0.28 -0.08 -1.21 0.10 0.00 0.00 175.35 174.04 3m3r s GLU 111 N -3.71 2.66 -0.03 1.78 2.02 0.25 -4.97 118.70 116.70 3m3r s GLU 111 Ca 0.04 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.45 3m3r s GLU 111 Cb 0.04 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3m3r s GLU 111 CO -0.10 0.65 -0.12 -0.47 0.02 0.00 0.00 175.26 175.24 3m3r s TYR 112 N -0.82 1.22 -0.10 1.61 6.14 -1.26 -0.16 117.35 123.97 3m3r s TYR 112 Ca 0.13 -0.32 0.04 0.00 0.64 0.00 0.00 57.07 57.55 3m3r s TYR 112 Cb -0.11 -0.84 -0.00 0.00 0.42 0.00 0.00 41.96 41.43 3m3r s TYR 112 CO 0.02 -0.12 -0.23 -0.06 0.64 0.00 0.00 175.55 175.80 3m3r s PHE 113 N 0.14 2.58 -0.19 4.97 0.40 0.14 -4.96 117.98 121.06 3m3r s PHE 113 Ca -0.03 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.28 3m3r s PHE 113 Cb -0.10 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.73 3m3r s PHE 113 CO 0.01 -0.40 -0.18 -1.12 0.70 0.00 0.00 175.22 174.23 3m3r s SER 114 N 0.35 3.29 -0.09 1.36 0.01 -1.26 -0.83 113.70 116.53 3m3r s SER 114 Ca -0.18 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.48 3m3r s SER 114 Cb -0.18 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.55 3m3r s SER 114 CO 0.09 -0.00 -0.15 -0.89 0.41 0.00 0.00 173.24 172.70 3m3r s THR 115 N 1.31 1.37 -0.17 1.44 2.01 0.15 -5.00 115.64 116.75 3m3r s THR 115 Ca 0.05 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.46 3m3r s THR 115 Cb -0.13 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.16 3m3r s THR 115 CO -0.12 0.41 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.86 3m3r s LEU 116 N 0.78 2.01 -0.02 4.42 2.96 -1.26 -0.18 118.68 127.39 3m3r s LEU 116 Ca -0.12 -0.67 0.03 0.00 -0.22 0.00 0.00 54.13 53.16 3m3r s LEU 116 Cb -0.16 -1.28 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 3m3r s LEU 116 CO 0.02 -0.07 -0.11 0.42 -1.32 0.00 0.00 176.35 175.29 3m3r s THR 117 N 1.40 0.90 0.06 3.68 -4.23 0.04 -4.98 115.64 112.51 3m3r s THR 117 Ca 0.03 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 59.97 3m3r s THR 117 Cb -0.14 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 72.94 3m3r s THR 117 CO -0.10 0.27 0.25 -0.72 -0.54 0.00 0.00 174.62 173.78 3m3r s TYR 118 N -0.04 -0.00 0.17 3.99 1.13 -1.26 0.85 117.35 122.20 3m3r s TYR 118 Ca 0.00 -0.26 -0.12 0.00 -1.41 0.00 0.00 57.07 55.29 3m3r s TYR 118 Cb -0.07 0.04 0.04 0.00 -1.10 0.00 0.00 41.96 40.87 3m3r s TYR 118 CO 0.00 -0.52 0.58 0.41 -2.51 0.00 0.00 175.55 173.51 3m3r n GLY 119 N 0.34 1.09 3.28 5.49 0.00 -0.47 -5.01 105.19 109.91 3m3r n GLY 119 Ca -0.17 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 3m3r n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m3r s PHE 120 N -4.10 1.41 -0.29 1.61 0.08 -1.26 -2.05 117.98 113.38 3m3r s PHE 120 Ca 0.12 -1.22 -0.14 0.00 0.12 0.00 0.00 56.93 55.82 3m3r s PHE 120 Cb -0.02 -0.79 0.12 0.00 -0.57 0.00 0.00 43.02 41.75 3m3r s PHE 120 CO 0.05 -0.40 0.76 0.54 -0.10 0.00 0.00 175.22 176.07 3m3r s ASN 121 N -3.26 -0.90 1.00 1.36 4.22 -0.92 -4.97 114.94 111.47 3m3r s ASN 121 Ca 0.37 1.34 -0.06 0.00 -2.14 0.00 0.00 52.86 52.37 3m3r s ASN 121 Cb 0.07 1.69 0.08 0.00 1.28 0.00 0.00 41.25 44.38 3m3r s ASN 121 CO 0.12 -0.20 0.50 0.61 -2.04 0.00 0.00 177.10 176.09 3m3r n GLY 122 N 4.67 -1.27 0.00 0.45 0.00 -1.26 -2.20 105.19 105.58 3m3r n GLY 122 Ca -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3m3r n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m3r n ASN 123 N -3.32 0.00 -3.80 1.61 5.15 -0.65 -4.80 115.26 109.45 3m3r n ASN 123 Ca 0.06 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.92 3m3r n ASN 123 Cb 0.22 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.37 3m3r n ASN 123 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m3r s VAL 124 N -0.58 0.04 0.00 3.44 1.01 -1.26 -0.80 120.40 122.26 3m3r s VAL 124 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3m3r s VAL 124 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3m3r s VAL 124 CO 0.00 -0.20 0.00 0.41 0.00 0.00 0.00 175.10 175.31 3m3r n THR 125 N 1.91 0.00 0.00 3.92 -1.04 0.35 -4.82 114.28 114.60 3m3r n THR 125 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3m3r n THR 125 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 3m3r n THR 125 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m3r n GLY 126 N 1.85 3.24 3.78 3.41 0.00 -1.25 -2.42 105.19 113.80 3m3r n GLY 126 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3m3r n GLY 126 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3m3r s ASP 127 N 0.00 4.79 0.00 1.61 1.47 -1.16 -4.99 116.67 118.40 3m3r s ASP 127 Ca 0.00 -0.80 -0.00 0.00 1.18 0.00 0.00 52.55 52.93 3m3r s ASP 127 Cb 0.00 -0.67 -0.00 0.00 -0.34 0.00 0.00 42.92 41.91 3m3r s ASP 127 CO 0.00 -0.44 0.69 -0.90 0.68 0.00 0.00 175.17 175.19 3m3r n ASP 128 N -1.29 1.84 0.13 2.11 3.85 -1.26 -3.17 116.55 118.76 3m3r n ASP 128 Ca -0.01 -1.49 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 3m3r n ASP 128 Cb 0.62 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 3m3r n ASP 128 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3m3r n THR 129 N 1.83 0.20 0.00 2.12 -2.24 -1.26 -5.08 114.28 109.85 3m3r n THR 129 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3m3r n THR 129 Cb 0.17 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 3m3r n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m3r n GLY 130 N 1.82 0.00 3.77 3.38 0.00 -1.19 -5.15 105.19 107.82 3m3r n GLY 130 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3m3r n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m3r s LYS 131 N 0.00 4.39 -0.14 1.61 2.20 -1.26 -4.94 119.74 121.60 3m3r s LYS 131 Ca 0.00 1.78 0.01 0.00 -0.36 0.00 0.00 55.97 57.41 3m3r s LYS 131 Cb 0.00 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3m3r s LYS 131 CO 0.00 -0.01 -0.18 0.42 -0.36 0.00 0.00 175.35 175.22 3m3r s ILE 132 N -1.32 2.44 0.22 5.43 -1.09 -1.26 -2.96 121.20 122.66 3m3r s ILE 132 Ca 0.50 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 3m3r s ILE 132 Cb -0.30 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 3m3r s ILE 132 CO 0.39 0.53 0.45 -0.83 -1.23 0.00 0.00 174.94 174.25 3m3r s GLY 133 N 0.74 1.97 -0.29 6.18 0.00 -1.02 -4.80 107.32 110.11 3m3r s GLY 133 Ca -0.07 -0.62 -0.14 0.00 0.00 0.00 0.00 44.72 43.88 3m3r s GLY 133 CO 0.01 -0.54 0.75 -0.32 0.00 0.00 0.00 173.10 172.99 3m3r s GLY 134 N -2.90 -0.54 0.07 0.20 0.00 -1.26 0.13 107.32 103.02 3m3r s GLY 134 Ca 0.42 2.56 0.04 0.00 0.00 0.00 0.00 44.72 47.75 3m3r s GLY 134 CO 0.27 2.73 -0.13 -2.27 0.00 0.00 0.00 173.10 173.71 3m3r s LEU 135 N 2.09 2.28 -0.13 0.66 2.96 0.02 -4.93 118.68 121.63 3m3r s LEU 135 Ca -0.08 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.18 3m3r s LEU 135 Cb -0.07 -0.43 0.06 0.00 0.50 0.00 0.00 46.19 46.24 3m3r s LEU 135 CO -0.19 -0.11 0.18 -0.63 -1.32 0.00 0.00 176.35 174.28 3m3r s ILE 136 N -1.35 -0.28 0.28 6.68 1.01 -1.26 -1.64 121.20 124.64 3m3r s ILE 136 Ca -0.03 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.85 3m3r s ILE 136 Cb -0.10 -0.43 -0.06 0.00 0.01 0.00 0.00 42.46 41.89 3m3r s ILE 136 CO 0.02 0.02 0.00 -0.83 0.00 0.00 0.00 174.94 174.15 3m3r s GLY 137 N 2.30 1.81 0.18 6.18 0.00 -0.93 -5.01 107.32 111.86 3m3r s GLY 137 Ca 0.04 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.85 3m3r s GLY 137 CO -0.08 -1.76 0.07 0.00 0.00 0.00 0.00 173.10 171.33 3m3r s ALA 138 N -3.27 1.22 -0.29 3.20 0.00 -1.26 -2.15 121.76 119.21 3m3r s ALA 138 Ca 0.32 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.43 3m3r s ALA 138 Cb 0.06 0.98 0.14 0.00 0.00 0.00 0.00 23.12 24.30 3m3r s ALA 138 CO 0.12 -0.47 1.07 0.54 0.00 0.00 0.00 175.76 177.01 3m3r s ASN 139 N -3.16 -0.41 0.19 0.00 2.20 -0.87 -4.97 114.94 107.92 3m3r s ASN 139 Ca 0.31 0.72 0.11 0.00 -0.94 0.00 0.00 52.86 53.06 3m3r s ASN 139 Cb 0.07 0.93 -0.04 0.00 -2.00 0.00 0.00 41.25 40.21 3m3r s ASN 139 CO 0.07 -0.12 -0.21 -0.69 -2.94 0.00 0.00 177.10 173.21 3m3r s VAL 140 N 0.69 2.51 -0.13 3.54 1.01 -1.26 -1.36 120.40 125.39 3m3r s VAL 140 Ca -0.02 -1.97 -0.11 0.00 0.00 0.00 0.00 61.98 59.89 3m3r s VAL 140 Cb -0.04 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.16 3m3r s VAL 140 CO -0.11 -0.12 0.35 -0.55 0.00 0.00 0.00 175.10 174.67 3m3r s SER 141 N -2.71 -0.38 -0.06 3.32 0.15 0.25 -4.95 113.70 109.32 3m3r s SER 141 Ca 0.22 0.71 0.01 0.00 0.70 0.00 0.00 55.95 57.59 3m3r s SER 141 Cb -0.08 0.68 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 3m3r s SER 141 CO 0.11 -0.14 -0.08 -0.63 1.20 0.00 0.00 173.24 173.70 3m3r s ILE 142 N 0.54 0.82 -0.01 6.45 1.01 -1.26 -0.78 121.20 127.97 3m3r s ILE 142 Ca -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 3m3r s ILE 142 Cb -0.04 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 3m3r s ILE 142 CO -0.03 0.29 0.08 -0.83 0.00 0.00 0.00 174.94 174.46 3m3r s GLY 143 N 0.97 0.05 -0.02 6.18 0.00 0.74 -5.00 107.32 110.25 3m3r s GLY 143 Ca -0.10 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.55 3m3r s GLY 143 CO 0.00 -0.19 -0.10 -2.38 0.00 0.00 0.00 173.10 170.43 3m3r s HIS 144 N -0.90 0.98 -0.08 1.90 -3.43 -1.26 0.31 115.29 112.81 3m3r s HIS 144 Ca -0.10 -0.22 0.03 0.00 -0.80 0.00 0.00 55.06 53.97 3m3r s HIS 144 Cb -0.06 -0.67 0.01 0.00 -1.43 0.00 0.00 32.58 30.43 3m3r s HIS 144 CO 0.00 -0.06 -0.17 0.99 -2.00 0.00 0.00 174.74 173.50 3m3r s THR 145 N -0.01 1.51 -0.18 -5.38 2.01 -0.01 -4.95 115.64 108.62 3m3r s THR 145 Ca 0.00 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3m3r s THR 145 Cb -0.07 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 3m3r s THR 145 CO 0.00 0.44 0.00 -0.22 -0.69 0.00 0.00 174.62 174.15 3m3r s LEU 146 N 0.53 3.40 -0.09 4.42 2.96 -1.26 0.26 118.68 128.90 3m3r s LEU 146 Ca -0.16 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3m3r s LEU 146 Cb -0.17 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.70 3m3r s LEU 146 CO 0.06 0.13 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.39 3m3r s LYS 147 N 0.63 1.41 0.11 1.98 2.20 0.78 -4.98 119.74 121.86 3m3r s LYS 147 Ca -0.00 -0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.25 3m3r s LYS 147 Cb -0.14 -1.39 0.01 0.00 -1.51 0.00 0.00 37.83 34.80 3m3r s LYS 147 CO 0.02 -0.16 0.27 1.52 -0.36 0.00 0.00 175.35 176.64 3m3r s TYR 148 N 1.34 0.07 0.02 4.03 1.13 -1.26 0.84 117.35 123.52 3m3r s TYR 148 Ca -0.03 -0.46 -0.11 0.00 -1.41 0.00 0.00 57.07 55.06 3m3r s TYR 148 Cb -0.14 0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.72 3m3r s TYR 148 CO -0.04 -0.63 0.36 0.08 -2.51 0.00 0.00 175.55 172.82 3m3r s VAL 149 N -3.86 5.13 -0.23 -3.49 1.01 -1.26 -5.06 120.40 112.65 3m3r s VAL 149 Ca 0.06 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 3m3r s VAL 149 Cb 0.04 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.85 3m3r s VAL 149 CO -0.10 0.43 0.03 -1.10 0.00 0.00 0.00 175.10 174.37 3m3r s GLN 150 N -1.51 0.91 0.53 2.72 -0.21 -1.26 -5.07 119.66 115.78 3m3r s GLN 150 Ca 0.27 -0.71 -0.18 0.00 0.02 0.00 0.00 55.36 54.77 3m3r s GLN 150 Cb -0.15 -2.21 -0.06 0.00 1.00 0.00 0.00 33.01 31.59 3m3r s GLN 150 CO 0.15 -0.71 1.03 -1.25 -2.12 0.00 0.00 175.29 172.39 3m3r s PRO 151 N 1.69 3.64 0.26 2.91 0.04 -1.26 -4.93 135.00 137.34 3m3r s PRO 151 Ca 0.00 1.22 -0.04 0.00 0.04 0.00 0.00 61.00 62.22 3m3r s PRO 151 Cb -0.18 -2.08 0.35 0.00 0.04 0.00 0.00 34.50 32.64 3m3r s PRO 151 CO -0.11 -0.55 1.88 -0.44 0.04 0.00 0.00 177.00 177.83 3m3r h ASP 152 N 1.00 1.01 -3.92 6.66 3.45 -1.97 -3.39 116.42 119.26 3m3r h ASP 152 Ca -0.48 0.00 -0.45 0.00 0.43 0.00 0.00 57.03 56.53 3m3r h ASP 152 Cb 1.21 -0.21 -0.18 0.00 -0.56 0.00 0.00 39.33 39.58 3m3r h ASP 152 CO 0.59 0.66 -0.77 -0.36 -1.57 0.00 0.00 179.24 177.79 3m3r s PHE 153 N -6.06 1.53 -0.07 4.55 0.40 -1.26 0.09 117.98 117.15 3m3r s PHE 153 Ca -0.13 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.70 3m3r s PHE 153 Cb 0.19 -0.79 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 3m3r s PHE 153 CO 0.81 0.20 -0.10 0.15 0.70 0.00 0.00 175.22 176.97 3m3r s LYS 154 N -2.66 2.75 -0.33 0.44 1.02 -0.18 -4.86 119.74 115.92 3m3r s LYS 154 Ca 0.11 -0.62 -0.12 0.00 0.02 0.00 0.00 55.97 55.36 3m3r s LYS 154 Cb -0.05 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 3m3r s LYS 154 CO 0.04 0.59 0.21 0.99 -0.92 0.00 0.00 175.35 176.26 3m3r s THR 155 N -0.62 5.07 -0.05 2.17 2.01 -1.26 -1.55 115.64 121.41 3m3r s THR 155 Ca 0.09 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.86 3m3r s THR 155 Cb -0.11 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3m3r s THR 155 CO 0.01 0.01 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.10 3m3r s ILE 156 N 1.69 1.83 -0.27 1.82 1.01 -0.45 -4.87 121.20 121.96 3m3r s ILE 156 Ca 0.06 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 3m3r s ILE 156 Cb -0.17 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 3m3r s ILE 156 CO 0.09 0.52 0.53 -0.22 0.00 0.00 0.00 174.94 175.86 3m3r s LEU 157 N -0.17 4.08 0.20 2.97 2.96 -1.26 -1.62 118.68 125.84 3m3r s LEU 157 Ca -0.02 0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 54.10 3m3r s LEU 157 Cb -0.12 -2.68 -0.08 0.00 0.50 0.00 0.00 46.19 43.81 3m3r s LEU 157 CO 0.02 -0.32 0.87 -1.61 -1.32 0.00 0.00 176.35 173.99 3m3r s GLU 158 N 2.35 4.72 -0.44 1.98 2.02 0.28 -4.79 118.70 124.82 3m3r s GLU 158 Ca 0.22 1.34 -0.31 0.00 0.02 0.00 0.00 54.97 56.23 3m3r s GLU 158 Cb -0.16 -3.28 -0.14 0.00 0.10 0.00 0.00 34.13 30.65 3m3r s GLU 158 CO 0.10 0.52 1.66 0.43 0.02 0.00 0.00 175.26 177.98 3m3r n SER 159 N 1.64 0.49 -4.95 -0.19 7.64 -1.26 -4.23 113.62 112.75 3m3r n SER 159 Ca -0.03 0.44 -0.23 0.00 1.01 0.00 0.00 58.87 60.05 3m3r n SER 159 Cb 0.48 -0.67 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 3m3r n SER 159 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3m3r s PRO 160 N 4.85 3.02 0.06 1.43 0.04 -1.26 -4.86 135.00 138.27 3m3r s PRO 160 Ca 0.91 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3m3r s PRO 160 Cb -1.08 -2.53 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 3m3r s PRO 160 CO 0.47 -0.34 0.01 0.25 0.04 0.00 0.00 177.00 177.43 3m3r n THR 161 N -2.14 0.00 1.49 1.26 -2.24 0.90 -4.99 114.28 108.56 3m3r n THR 161 Ca 0.02 -0.32 0.08 0.00 -2.27 0.00 0.00 64.05 61.57 3m3r n THR 161 Cb 0.58 0.10 0.35 0.00 -2.10 0.00 0.00 70.33 69.25 3m3r n THR 161 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3m3r n ASP 162 N -1.65 1.02 0.00 3.42 5.75 -1.26 -3.71 116.55 120.12 3m3r n ASP 162 Ca -0.01 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 3m3r n ASP 162 Cb 0.08 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3m3r n ASP 162 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m3r n LYS 163 N -0.07 2.55 -3.84 0.11 4.76 -1.26 -1.47 118.16 118.94 3m3r n LYS 163 Ca 0.13 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.45 3m3r n LYS 163 Cb 0.21 -0.73 -0.11 0.00 -1.84 0.00 0.00 35.03 32.55 3m3r n LYS 163 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3m3r s LYS 164 N -1.18 0.36 -0.00 1.97 -2.85 -1.24 -0.58 119.74 116.21 3m3r s LYS 164 Ca 0.00 -0.10 -0.14 0.00 -1.00 0.00 0.00 55.97 54.73 3m3r s LYS 164 Cb 0.00 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.95 3m3r s LYS 164 CO 0.00 -0.07 0.30 0.54 0.10 0.00 0.00 175.35 176.22 3m3r s VAL 165 N -0.70 0.06 0.14 1.79 0.11 -0.94 -0.07 120.40 120.80 3m3r s VAL 165 Ca -0.08 -0.52 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 3m3r s VAL 165 Cb -0.05 -0.65 0.07 0.00 -1.53 0.00 0.00 36.38 34.22 3m3r s VAL 165 CO 0.01 -0.29 0.76 -0.83 -3.33 0.00 0.00 175.10 171.42 3m3r s GLY 166 N -1.44 -0.41 0.07 6.54 0.00 -1.26 -0.73 107.32 110.09 3m3r s GLY 166 Ca -0.12 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.04 3m3r s GLY 166 CO 0.03 0.13 -0.12 -0.98 0.00 0.00 0.00 173.10 172.16 3m3r s TRP 167 N -3.54 1.02 -0.03 1.90 0.51 0.19 -0.56 118.94 118.43 3m3r s TRP 167 Ca 0.06 -0.50 0.01 0.00 -2.12 0.00 0.00 56.10 53.54 3m3r s TRP 167 Cb -0.02 -0.58 0.02 0.00 -0.81 0.00 0.00 33.47 32.08 3m3r s TRP 167 CO -0.05 0.01 -0.01 -1.59 -0.51 0.00 0.00 176.95 174.79 3m3r s LYS 168 N -1.84 0.42 -0.42 4.98 -2.85 -0.64 -1.73 119.74 117.66 3m3r s LYS 168 Ca -0.03 0.02 -0.06 0.00 -1.00 0.00 0.00 55.97 54.89 3m3r s LYS 168 Cb -0.09 -0.54 0.10 0.00 -2.06 0.00 0.00 37.83 35.24 3m3r s LYS 168 CO 0.01 -0.10 0.23 0.08 0.10 0.00 0.00 175.35 175.68 3m3r s VAL 169 N 0.88 3.72 0.00 1.79 1.01 0.61 -1.34 120.40 127.08 3m3r s VAL 169 Ca -0.10 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.08 3m3r s VAL 169 Cb -0.13 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3m3r s VAL 169 CO -0.01 -0.61 0.21 0.27 0.00 0.00 0.00 175.10 174.95 3m3r s ILE 170 N 1.27 5.40 0.22 2.22 -5.25 -0.59 -1.21 121.20 123.26 3m3r s ILE 170 Ca 0.05 -0.10 -0.31 0.00 -0.99 0.00 0.00 60.65 59.30 3m3r s ILE 170 Cb -0.23 -3.55 -0.10 0.00 2.95 0.00 0.00 42.46 41.52 3m3r s ILE 170 CO -0.02 0.32 1.54 0.12 -1.79 0.00 0.00 174.94 175.11 3m3r s PHE 171 N -1.34 2.98 0.00 1.37 2.19 0.16 -1.01 117.98 122.34 3m3r s PHE 171 Ca 0.28 0.77 0.00 0.00 0.33 0.00 0.00 56.93 58.31 3m3r s PHE 171 Cb -0.13 -3.93 0.00 0.00 -1.31 0.00 0.00 43.02 37.65 3m3r s PHE 171 CO 0.19 -3.25 0.00 -1.71 1.83 0.00 0.00 175.22 172.28 3m3r n ASN 172 N 3.09 0.00 -3.64 6.13 5.15 0.11 -4.85 115.26 121.25 3m3r n ASN 172 Ca 0.11 0.01 -0.07 0.00 -0.60 0.00 0.00 54.58 54.02 3m3r n ASN 172 Cb 0.39 -0.27 -0.02 0.00 -0.53 0.00 0.00 39.78 39.35 3m3r n ASN 172 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3m3r s ASN 173 N -2.59 -0.31 0.03 1.20 2.20 -1.18 -4.64 114.94 109.64 3m3r s ASN 173 Ca 0.00 -0.25 -0.14 0.00 -0.94 0.00 0.00 52.86 51.53 3m3r s ASN 173 Cb 0.00 0.51 0.02 0.00 -2.00 0.00 0.00 41.25 39.78 3m3r s ASN 173 CO 0.00 -0.89 0.30 -0.32 -2.94 0.00 0.00 177.10 173.24 3m3r s MET 174 N -3.40 0.76 -0.12 3.55 1.75 0.14 -4.37 119.30 117.59 3m3r s MET 174 Ca 0.08 -0.42 -0.24 0.00 -1.25 0.00 0.00 55.69 53.87 3m3r s MET 174 Cb -0.02 0.33 -0.03 0.00 2.84 0.00 0.00 34.83 37.95 3m3r s MET 174 CO -0.03 -0.23 0.73 0.08 -0.65 0.00 0.00 175.02 174.92 3m3r s VAL 175 N -2.16 4.99 -0.39 10.11 1.01 -1.26 0.66 120.40 133.35 3m3r s VAL 175 Ca -0.08 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 3m3r s VAL 175 Cb -0.02 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.38 3m3r s VAL 175 CO -0.01 0.15 0.20 0.21 0.00 0.00 0.00 175.10 175.65 3m3r s ASN 176 N 0.99 5.43 -0.95 3.32 3.84 -0.63 -4.74 114.94 122.21 3m3r s ASN 176 Ca 0.36 -1.52 -0.11 0.00 0.21 0.00 0.00 52.86 51.80 3m3r s ASN 176 Cb -0.17 -1.91 0.01 0.00 -0.55 0.00 0.00 41.25 38.63 3m3r s ASN 176 CO 0.15 -0.48 0.67 0.00 -2.79 0.00 0.00 177.10 174.66 3m3r n GLN 177 N 4.81 -1.20 -1.63 0.43 6.02 -1.26 -1.42 117.38 123.13 3m3r n GLN 177 Ca -0.09 0.68 -0.18 0.00 -0.01 0.00 0.00 57.00 57.40 3m3r n GLN 177 Cb 0.43 -3.22 -0.07 0.00 1.02 0.00 0.00 30.24 28.40 3m3r n GLN 177 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3m3r n ASN 178 N -2.42 -4.84 -4.43 1.08 5.03 -1.26 -4.95 115.26 103.47 3m3r n ASN 178 Ca -0.19 0.41 -0.21 0.00 0.87 0.00 0.00 54.58 55.46 3m3r n ASN 178 Cb 0.62 -4.30 -0.11 0.00 -1.02 0.00 0.00 39.78 34.97 3m3r n ASN 178 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3m3r s TRP 179 N -2.58 1.91 0.00 3.10 0.51 -0.51 -5.06 118.94 116.31 3m3r s TRP 179 Ca 0.00 -0.94 0.00 0.00 -2.12 0.00 0.00 56.10 53.04 3m3r s TRP 179 Cb 0.00 -1.21 0.00 0.00 -0.81 0.00 0.00 33.47 31.45 3m3r s TRP 179 CO 0.00 0.02 0.00 0.41 -0.51 0.00 0.00 176.95 176.87 3m3r n GLY 180 N -0.64 0.80 3.75 0.98 0.00 -1.26 -1.60 105.19 107.21 3m3r n GLY 180 Ca -0.03 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 3m3r n GLY 180 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m3r s PRO 181 N 0.00 1.20 0.25 1.61 0.04 -1.26 -5.04 135.00 131.80 3m3r s PRO 181 Ca 0.00 0.53 0.10 0.00 0.04 0.00 0.00 61.00 61.67 3m3r s PRO 181 Cb 0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 3m3r s PRO 181 CO 0.00 -2.21 -0.04 0.71 0.04 0.00 0.00 177.00 175.50 3m3r s TYR 182 N -3.10 2.63 0.25 0.56 1.51 0.21 -4.80 117.35 114.61 3m3r s TYR 182 Ca 0.63 -0.23 0.05 0.00 -1.01 0.00 0.00 57.07 56.51 3m3r s TYR 182 Cb -0.16 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 3m3r s TYR 182 CO 0.55 0.62 0.19 -0.40 -1.11 0.00 0.00 175.55 175.40 3m3r n ASP 183 N -0.70 -0.29 0.00 2.29 3.85 -1.26 0.23 116.55 120.67 3m3r n ASP 183 Ca -0.07 -2.61 0.02 0.00 -0.71 0.00 0.00 54.79 51.42 3m3r n ASP 183 Cb 0.58 1.16 0.12 0.00 -1.35 0.00 0.00 41.12 41.64 3m3r n ASP 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3m3r n ARG 184 N -0.49 0.11 0.00 0.11 1.74 -1.26 -2.06 116.66 114.81 3m3r n ARG 184 Ca 0.04 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3m3r n ARG 184 Cb 0.44 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3m3r n ARG 184 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3m3r n ASP 185 N -1.08 0.82 -4.65 0.55 8.00 -1.26 -4.84 116.55 114.09 3m3r n ASP 185 Ca 0.03 -1.05 -0.53 0.00 0.71 0.00 0.00 54.79 53.95 3m3r n ASP 185 Cb 0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 3m3r n ASP 185 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3m3r n SER 186 N -0.02 2.18 -3.73 -2.24 7.64 -0.88 -4.94 113.62 111.64 3m3r n SER 186 Ca 0.00 1.09 -0.19 0.00 1.01 0.00 0.00 58.87 60.78 3m3r n SER 186 Cb 0.07 -1.20 -0.17 0.00 -1.01 0.00 0.00 64.21 61.90 3m3r n SER 186 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3m3r s TRP 187 N 2.01 0.18 -0.08 1.43 -0.11 -1.26 -3.60 118.94 117.51 3m3r s TRP 187 Ca 0.90 0.14 0.05 0.00 1.22 0.00 0.00 56.10 58.41 3m3r s TRP 187 Cb -0.96 -0.46 -0.01 0.00 -1.50 0.00 0.00 33.47 30.54 3m3r s TRP 187 CO 0.54 -0.18 -0.23 1.21 -4.62 0.00 0.00 176.95 173.67 3m3r s ASN 188 N 1.74 3.22 0.45 5.86 3.84 0.34 -4.95 114.94 125.45 3m3r s ASN 188 Ca -0.00 -0.49 0.17 0.00 0.21 0.00 0.00 52.86 52.75 3m3r s ASN 188 Cb -0.12 -1.07 1.12 0.00 -0.55 0.00 0.00 41.25 40.62 3m3r s ASN 188 CO -0.03 0.22 1.97 1.55 -2.79 0.00 0.00 177.10 178.02 3m3r h PRO 189 N 6.26 0.30 0.04 0.43 0.13 -2.00 0.87 132.00 138.03 3m3r h PRO 189 Ca -0.28 -0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.58 3m3r h PRO 189 Cb 1.20 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3m3r h PRO 189 CO 0.48 0.20 -1.35 0.28 -0.23 0.00 0.00 178.00 177.38 3m3r h VAL 190 N 0.31 0.92 -0.10 1.56 2.07 -1.97 -3.41 116.25 115.64 3m3r h VAL 190 Ca 0.29 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3m3r h VAL 190 Cb 0.73 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3m3r h VAL 190 CO -0.07 0.48 0.00 -1.22 0.02 0.00 0.00 177.57 176.78 3m3r n TYR 191 N -4.21 0.10 -1.05 1.57 4.02 -1.20 -4.73 117.16 111.67 3m3r n TYR 191 Ca -0.30 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 3m3r n TYR 191 Cb 0.76 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 3m3r n TYR 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m3r n GLY 192 N 0.96 2.87 3.54 2.72 0.00 0.30 -0.95 105.19 114.63 3m3r n GLY 192 Ca 0.11 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3m3r n GLY 192 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3m3r s ASN 193 N -4.00 6.35 0.00 1.61 3.84 0.20 -0.51 114.94 122.43 3m3r s ASN 193 Ca 0.00 -0.11 0.16 0.00 0.21 0.00 0.00 52.86 53.11 3m3r s ASN 193 Cb 0.00 -2.30 0.53 0.00 -0.55 0.00 0.00 41.25 38.92 3m3r s ASN 193 CO 0.00 -0.63 1.40 0.00 -2.79 0.00 0.00 177.10 175.08 3m3r n GLN 194 N 6.03 1.77 -0.12 0.43 6.02 -1.26 -3.76 117.38 126.49 3m3r n GLN 194 Ca -0.03 -1.17 -0.03 0.00 -0.01 0.00 0.00 57.00 55.76 3m3r n GLN 194 Cb 0.48 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 3m3r n GLN 194 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m3r n LEU 195 N 0.42 -0.31 -0.64 1.08 0.00 -1.26 -1.54 117.00 114.75 3m3r n LEU 195 Ca 0.14 0.69 0.08 0.00 0.00 0.00 0.00 56.01 56.92 3m3r n LEU 195 Cb 0.31 -0.15 0.21 0.00 0.00 0.00 0.00 43.42 43.79 3m3r n LEU 195 CO 0.10 -0.51 0.66 0.49 0.00 0.00 0.00 177.39 178.14 3m3r n PHE 196 N -3.79 0.65 -2.39 1.96 3.72 -1.26 -4.78 117.46 111.56 3m3r n PHE 196 Ca 0.01 -0.87 -0.42 0.00 -0.05 0.00 0.00 57.45 56.11 3m3r n PHE 196 Cb 0.08 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 3m3r n PHE 196 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3m3r s MET 197 N -2.65 4.31 -0.07 -1.08 1.75 -0.59 0.01 119.30 120.99 3m3r s MET 197 Ca 0.37 1.74 -0.25 0.00 -1.25 0.00 0.00 55.69 56.30 3m3r s MET 197 Cb 0.30 -3.60 -0.25 0.00 2.84 0.00 0.00 34.83 34.12 3m3r s MET 197 CO 0.08 -0.52 0.96 -0.22 -0.65 0.00 0.00 175.02 174.67 3m3r h LYS 198 N 7.70 0.15 -5.44 4.11 3.64 -0.70 -3.43 116.57 122.59 3m3r h LYS 198 Ca -0.34 -0.18 -0.42 0.00 -1.27 0.00 0.00 60.65 58.44 3m3r h LYS 198 Cb 1.16 0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 32.85 3m3r h LYS 198 CO 0.90 0.96 -0.76 0.95 -2.27 0.00 0.00 179.45 179.23 3m3r s THR 199 N -2.88 1.33 -0.02 1.00 -4.23 -1.26 -4.99 115.64 104.60 3m3r s THR 199 Ca -0.16 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3m3r s THR 199 Cb 0.00 -1.52 -0.25 0.00 1.34 0.00 0.00 72.50 72.07 3m3r s THR 199 CO 0.74 -0.40 0.75 0.03 -0.54 0.00 0.00 174.62 175.20 3m3r h ARG 200 N 3.56 0.15 0.00 3.99 3.08 -1.93 -3.42 114.38 119.82 3m3r h ARG 200 Ca -0.40 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3m3r h ARG 200 Cb 1.20 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3m3r h ARG 200 CO 0.50 0.93 -0.31 0.27 -1.07 0.00 0.00 179.97 180.28 3m3r n ASN 201 N -3.32 0.00 -4.72 7.04 0.23 -1.26 0.46 115.26 113.69 3m3r n ASN 201 Ca -0.18 -1.62 -0.35 0.00 -0.53 0.00 0.00 54.58 51.90 3m3r n ASN 201 Cb 1.04 -0.12 0.10 0.00 -2.08 0.00 0.00 39.78 38.71 3m3r n ASN 201 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3m3r s GLY 202 N -0.62 2.50 -0.82 4.83 0.00 -1.26 -4.90 107.32 107.04 3m3r s GLY 202 Ca 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.66 3m3r s GLY 202 CO 0.00 1.44 0.72 -1.35 0.00 0.00 0.00 173.10 173.91 3m3r s SER 203 N -1.80 6.23 0.30 1.64 1.04 -1.26 -4.95 113.70 114.89 3m3r s SER 203 Ca 0.77 -3.07 -0.02 0.00 0.48 0.00 0.00 55.95 54.11 3m3r s SER 203 Cb -0.33 -2.04 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 3m3r s SER 203 CO 0.45 -0.39 0.36 0.00 0.98 0.00 0.00 173.24 174.64 3m3r s MET 204 N -0.41 1.67 0.58 4.02 0.23 -1.26 -5.13 119.30 119.00 3m3r s MET 204 Ca 0.21 -1.70 -0.19 0.00 -1.03 0.00 0.00 55.69 52.98 3m3r s MET 204 Cb -0.13 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 3m3r s MET 204 CO -0.08 -0.66 1.18 0.15 -2.03 0.00 0.00 175.02 173.59 3m3r s LYS 205 N -3.52 3.10 0.18 3.16 1.02 -1.26 -4.91 119.74 117.50 3m3r s LYS 205 Ca 0.33 1.76 -0.15 0.00 0.02 0.00 0.00 55.97 57.93 3m3r s LYS 205 Cb 0.02 -1.95 0.14 0.00 -0.52 0.00 0.00 37.83 35.52 3m3r s LYS 205 CO 0.18 -1.09 1.70 0.00 -0.92 0.00 0.00 175.35 175.22 3m3r h ALA 206 N 0.99 0.43 0.00 5.17 0.00 -1.29 -0.12 119.26 124.44 3m3r h ALA 206 Ca -0.50 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3m3r h ALA 206 Cb 1.29 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3m3r h ALA 206 CO 0.56 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3m3r n ALA 207 N -2.56 1.33 -0.17 0.00 0.00 -1.26 -0.85 120.51 117.00 3m3r n ALA 207 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.52 3m3r n ALA 207 Cb 0.23 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 18.78 3m3r n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m3r n ASP 208 N -1.20 2.71 -0.84 0.00 10.43 -0.06 -4.58 116.55 123.01 3m3r n ASP 208 Ca 0.00 -2.05 0.08 0.00 2.57 0.00 0.00 54.79 55.40 3m3r n ASP 208 Cb 0.00 -0.18 0.25 0.00 1.84 0.00 0.00 41.12 43.03 3m3r n ASP 208 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3m3r n ASN 209 N 0.18 3.75 -4.87 -2.24 5.15 -0.03 -4.91 115.26 112.29 3m3r n ASN 209 Ca 0.09 -2.96 -0.33 0.00 -0.60 0.00 0.00 54.58 50.78 3m3r n ASN 209 Cb 0.40 -0.52 -0.05 0.00 -0.53 0.00 0.00 39.78 39.08 3m3r n ASN 209 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3m3r s PHE 210 N -2.72 3.51 0.40 1.20 0.08 -1.26 -0.03 117.98 119.15 3m3r s PHE 210 Ca 0.40 0.78 -0.27 0.00 0.12 0.00 0.00 56.93 57.96 3m3r s PHE 210 Cb 0.32 -2.17 -0.10 0.00 -0.57 0.00 0.00 43.02 40.50 3m3r s PHE 210 CO 0.09 0.41 1.45 -1.17 -0.10 0.00 0.00 175.22 175.91 3m3r s LEU 211 N -2.37 4.26 0.15 -0.37 2.96 0.10 -4.58 118.68 118.83 3m3r s LEU 211 Ca 0.40 2.98 -0.31 0.00 -0.22 0.00 0.00 54.13 56.98 3m3r s LEU 211 Cb -0.13 -3.75 -0.10 0.00 0.50 0.00 0.00 46.19 42.71 3m3r s LEU 211 CO 0.21 -0.95 1.59 -0.62 -1.32 0.00 0.00 176.35 175.26 3m3r s ASP 212 N -0.29 6.58 0.51 3.68 3.68 -1.26 -4.88 116.67 124.69 3m3r s ASP 212 Ca 0.55 2.61 0.21 0.00 2.13 0.00 0.00 52.55 58.05 3m3r s ASP 212 Cb -0.45 -2.59 1.31 0.00 -1.45 0.00 0.00 42.92 39.74 3m3r s ASP 212 CO 0.60 -0.84 2.03 1.55 0.13 0.00 0.00 175.17 178.64 3m3r h PRO 213 N 7.07 0.06 0.00 4.34 0.13 -1.93 0.14 132.00 141.81 3m3r h PRO 213 Ca -0.43 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3m3r h PRO 213 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3m3r h PRO 213 CO 0.92 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 3m3r n ASN 214 N -4.43 0.04 -0.77 1.44 3.02 -1.26 -1.68 115.26 111.62 3m3r n ASN 214 Ca 0.07 0.51 0.07 0.00 -0.03 0.00 0.00 54.58 55.20 3m3r n ASN 214 Cb 0.44 -0.52 0.17 0.00 -0.61 0.00 0.00 39.78 39.26 3m3r n ASN 214 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3m3r n LYS 215 N -1.55 2.49 -4.53 3.52 5.02 0.49 -4.98 118.16 118.62 3m3r n LYS 215 Ca 0.02 -2.04 -0.25 0.00 -2.02 0.00 0.00 58.31 54.02 3m3r n LYS 215 Cb 0.12 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3m3r n LYS 215 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m3r s ALA 216 N -1.03 2.85 0.08 7.82 0.00 -0.67 -4.79 121.76 126.01 3m3r s ALA 216 Ca 0.27 -1.66 -0.36 0.00 0.00 0.00 0.00 51.96 50.21 3m3r s ALA 216 Cb 0.15 0.53 -0.16 0.00 0.00 0.00 0.00 23.12 23.64 3m3r s ALA 216 CO 0.20 -0.25 1.42 0.45 0.00 0.00 0.00 175.76 177.57 3m3r n SER 217 N -0.96 1.99 0.30 0.00 2.88 -1.26 -4.84 113.62 111.73 3m3r n SER 217 Ca -0.06 1.11 0.16 0.00 -1.33 0.00 0.00 58.87 58.75 3m3r n SER 217 Cb 0.66 -1.24 0.92 0.00 -0.75 0.00 0.00 64.21 63.81 3m3r n SER 217 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3m3r h SER 218 N 5.05 0.00 -0.40 -3.46 4.64 -1.95 -1.55 113.55 115.88 3m3r h SER 218 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3m3r h SER 218 Cb 1.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3m3r h SER 218 CO 0.81 0.03 0.12 -0.07 -0.87 0.00 0.00 176.83 176.86 3m3r h LEU 219 N 0.00 0.65 -1.39 5.97 4.07 -1.88 -1.37 115.31 121.35 3m3r h LEU 219 Ca -0.00 -0.10 0.10 0.00 0.08 0.00 0.00 57.88 57.96 3m3r h LEU 219 Cb 0.11 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 3m3r h LEU 219 CO 0.00 0.64 0.50 -0.07 -1.08 0.00 0.00 178.44 178.43 3m3r h LEU 220 N 0.68 0.62 0.00 1.67 3.38 -1.61 -2.98 115.31 117.07 3m3r h LEU 220 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3m3r h LEU 220 Cb 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3m3r h LEU 220 CO -0.00 0.37 0.00 -1.54 0.09 0.00 0.00 178.44 177.35 3m3r n SER 221 N -4.50 0.00 -0.04 -0.43 3.41 -1.00 -2.04 113.62 109.02 3m3r n SER 221 Ca 0.13 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.89 3m3r n SER 221 Cb 0.33 -0.04 0.59 0.00 -0.26 0.00 0.00 64.21 64.82 3m3r n SER 221 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3m3r h SER 222 N 0.00 0.20 -5.00 4.04 0.02 -1.47 0.45 113.55 111.79 3m3r h SER 222 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3m3r h SER 222 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3m3r h SER 222 CO 0.00 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 3m3r n GLY 223 N -1.57 2.38 3.58 -3.77 0.00 -1.01 -3.77 105.19 101.02 3m3r n GLY 223 Ca 0.10 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3m3r n GLY 223 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m3r s PHE 224 N -2.06 2.96 -0.39 1.61 5.36 -0.41 -4.31 117.98 120.73 3m3r s PHE 224 Ca 0.00 -0.00 -0.05 0.00 -0.96 0.00 0.00 56.93 55.91 3m3r s PHE 224 Cb 0.00 -1.74 0.09 0.00 -0.34 0.00 0.00 43.02 41.03 3m3r s PHE 224 CO 0.00 0.30 0.19 -1.12 -1.46 0.00 0.00 175.22 173.13 3m3r s SER 225 N -0.70 5.36 0.60 6.13 0.01 -1.26 -0.49 113.70 123.34 3m3r s SER 225 Ca 0.11 -1.66 -0.19 0.00 1.31 0.00 0.00 55.95 55.52 3m3r s SER 225 Cb -0.11 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 3m3r s SER 225 CO 0.02 -0.49 1.22 -2.84 0.41 0.00 0.00 173.24 171.56 3m3r s PRO 226 N 1.29 2.94 -0.43 12.44 0.02 -1.16 -4.93 135.00 145.17 3m3r s PRO 226 Ca 0.03 1.87 0.08 0.00 0.02 0.00 0.00 61.00 63.00 3m3r s PRO 226 Cb -0.22 -1.94 0.28 0.00 0.02 0.00 0.00 34.50 32.64 3m3r s PRO 226 CO -0.01 -1.24 0.77 -3.47 -0.33 0.00 0.00 177.00 172.72 3m3r n ASP 227 N -1.59 -1.08 -4.66 2.53 2.03 -1.19 -3.90 116.55 108.69 3m3r n ASP 227 Ca 0.14 -3.11 -0.34 0.00 0.52 0.00 0.00 54.79 52.00 3m3r n ASP 227 Cb 0.49 0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 41.35 3m3r n ASP 227 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3m3r s PHE 228 N -0.58 3.09 -0.07 -0.67 2.99 -1.05 -4.67 117.98 117.02 3m3r s PHE 228 Ca 0.33 0.13 0.03 0.00 0.00 0.00 0.00 56.93 57.42 3m3r s PHE 228 Cb 0.24 -1.75 -0.02 0.00 0.00 0.00 0.00 43.02 41.49 3m3r s PHE 228 CO -0.14 0.43 -0.15 0.00 -0.00 0.00 0.00 175.22 175.37 3m3r s ALA 229 N -0.89 2.62 -0.06 5.36 0.00 0.12 -1.02 121.76 127.89 3m3r s ALA 229 Ca 0.14 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3m3r s ALA 229 Cb -0.11 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3m3r s ALA 229 CO 0.03 0.46 -0.12 0.99 0.00 0.00 0.00 175.76 177.12 3m3r s THR 230 N -0.38 1.09 -0.11 0.00 2.01 0.02 -0.91 115.64 117.36 3m3r s THR 230 Ca 0.04 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3m3r s THR 230 Cb -0.12 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3m3r s THR 230 CO 0.02 0.34 -0.12 0.54 -0.69 0.00 0.00 174.62 174.71 3m3r s VAL 231 N 0.60 3.18 -0.09 3.82 0.11 -0.24 0.21 120.40 127.99 3m3r s VAL 231 Ca -0.13 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 3m3r s VAL 231 Cb -0.15 -2.32 -0.00 0.00 -1.53 0.00 0.00 36.38 32.38 3m3r s VAL 231 CO 0.03 0.54 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.47 3m3r s ILE 232 N 0.09 2.05 0.04 7.04 1.01 0.35 -0.95 121.20 130.83 3m3r s ILE 232 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3m3r s ILE 232 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3m3r s ILE 232 CO 0.04 0.56 0.14 0.42 0.00 0.00 0.00 174.94 176.10 3m3r s THR 233 N 0.28 5.03 -0.04 2.92 -4.23 -0.15 -1.04 115.64 118.42 3m3r s THR 233 Ca -0.17 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 3m3r s THR 233 Cb -0.17 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.31 3m3r s THR 233 CO 0.08 0.22 0.07 -0.32 -0.54 0.00 0.00 174.62 174.14 3m3r s MET 234 N -2.18 0.02 0.17 3.99 0.00 -0.51 -1.85 119.30 118.94 3m3r s MET 234 Ca 0.29 0.24 -0.30 0.00 0.00 0.00 0.00 55.69 55.92 3m3r s MET 234 Cb -0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 34.83 34.44 3m3r s MET 234 CO 0.21 -0.14 1.23 0.34 0.00 0.00 0.00 175.02 176.66 3m3r s ASP 235 N 0.96 7.03 0.07 1.11 -1.08 -1.26 -0.94 116.67 122.55 3m3r s ASP 235 Ca -0.08 2.25 0.17 0.00 -0.52 0.00 0.00 52.55 54.37 3m3r s ASP 235 Cb -0.11 -2.60 0.71 0.00 -1.46 0.00 0.00 42.92 39.46 3m3r s ASP 235 CO -0.04 -0.44 1.53 0.54 0.52 0.00 0.00 175.17 177.28 3m3r n ARG 236 N 2.81 0.05 0.00 4.34 1.74 -1.26 -2.89 116.66 121.45 3m3r n ARG 236 Ca 0.06 0.30 0.08 0.00 -0.77 0.00 0.00 57.85 57.52 3m3r n ARG 236 Cb 0.44 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 30.20 3m3r n ARG 236 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3m3r n LYS 237 N -1.70 1.69 -1.56 5.56 5.02 -1.26 -5.00 118.16 120.90 3m3r n LYS 237 Ca 0.03 -0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 3m3r n LYS 237 Cb 0.18 -1.26 0.01 0.00 -0.02 0.00 0.00 35.03 33.94 3m3r n LYS 237 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m3r n ALA 238 N -1.28 -0.43 0.04 7.82 0.00 -1.14 -4.89 120.51 120.64 3m3r n ALA 238 Ca 0.03 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 3m3r n ALA 238 Cb 0.26 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 3m3r n ALA 238 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3m3r h SER 239 N 1.36 -0.43 -3.71 0.00 0.87 -1.94 -3.40 113.55 106.29 3m3r h SER 239 Ca -0.42 0.07 -0.64 0.00 -1.23 0.00 0.00 61.79 59.57 3m3r h SER 239 Cb 1.36 0.19 -0.18 0.00 -0.44 0.00 0.00 62.40 63.33 3m3r h SER 239 CO 0.56 -0.20 -0.55 -1.59 -0.53 0.00 0.00 176.83 174.52 3m3r s LYS 240 N -6.14 3.89 -0.36 2.24 -2.85 -1.26 -4.97 119.74 110.28 3m3r s LYS 240 Ca -0.14 -0.36 0.03 0.00 -1.00 0.00 0.00 55.97 54.50 3m3r s LYS 240 Cb 0.09 -3.50 0.53 0.00 -2.06 0.00 0.00 37.83 32.90 3m3r s LYS 240 CO 0.67 -0.10 1.74 1.04 0.10 0.00 0.00 175.35 178.80 3m3r n GLN 241 N 4.73 2.01 -4.88 1.78 1.13 -1.26 -4.86 117.38 116.03 3m3r n GLN 241 Ca -0.15 -2.41 -0.27 0.00 -1.94 0.00 0.00 57.00 52.23 3m3r n GLN 241 Cb 0.52 -1.94 -0.16 0.00 0.11 0.00 0.00 30.24 28.76 3m3r n GLN 241 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3m3r s GLN 242 N -2.64 1.85 -0.01 -1.09 -0.21 -1.26 -1.21 119.66 115.08 3m3r s GLN 242 Ca 0.46 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 55.22 3m3r s GLN 242 Cb 0.38 -1.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.79 3m3r s GLN 242 CO 0.09 0.26 -0.06 0.99 -2.12 0.00 0.00 175.29 174.45 3m3r s THR 243 N 0.01 0.50 0.02 -0.19 2.01 0.45 -4.97 115.64 113.47 3m3r s THR 243 Ca -0.03 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3m3r s THR 243 Cb -0.12 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3m3r s THR 243 CO 0.02 0.16 0.12 0.20 -0.69 0.00 0.00 174.62 174.42 3m3r s ASN 244 N 0.02 5.85 -0.11 3.53 0.01 -1.26 0.63 114.94 123.61 3m3r s ASN 244 Ca 0.00 0.16 -0.08 0.00 -0.71 0.00 0.00 52.86 52.23 3m3r s ASN 244 Cb -0.04 -1.70 0.04 0.00 0.41 0.00 0.00 41.25 39.95 3m3r s ASN 244 CO -0.00 0.23 0.27 -0.51 -1.51 0.00 0.00 177.10 175.58 3m3r s ILE 245 N -1.31 -0.02 -0.13 0.60 2.07 -0.53 -4.14 121.20 117.76 3m3r s ILE 245 Ca 0.27 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.52 3m3r s ILE 245 Cb -0.12 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 3m3r s ILE 245 CO 0.19 0.02 0.04 -1.81 -1.91 0.00 0.00 174.94 171.48 3m3r s ASP 246 N 0.64 5.56 -0.08 4.50 1.11 -0.50 0.00 116.67 127.90 3m3r s ASP 246 Ca -0.04 0.17 0.04 0.00 0.18 0.00 0.00 52.55 52.91 3m3r s ASP 246 Cb -0.05 -1.76 -0.01 0.00 1.07 0.00 0.00 42.92 42.16 3m3r s ASP 246 CO -0.04 0.31 -0.22 -0.69 1.18 0.00 0.00 175.17 175.71 3m3r s VAL 247 N -0.46 2.34 -0.09 -1.27 1.01 0.29 -0.86 120.40 121.36 3m3r s VAL 247 Ca 0.09 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3m3r s VAL 247 Cb -0.12 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3m3r s VAL 247 CO 0.02 0.56 -0.14 -0.63 0.00 0.00 0.00 175.10 174.92 3m3r s ILE 248 N -0.07 1.31 -0.12 2.22 1.09 0.04 -0.87 121.20 124.80 3m3r s ILE 248 Ca -0.05 -0.56 -0.04 0.00 -1.10 0.00 0.00 60.65 58.90 3m3r s ILE 248 Cb -0.14 -1.20 -0.03 0.00 -1.06 0.00 0.00 42.46 40.02 3m3r s ILE 248 CO 0.04 0.40 0.01 -0.31 -0.10 0.00 0.00 174.94 174.98 3m3r s TYR 249 N 0.83 3.16 0.02 3.97 4.12 0.17 -1.19 117.35 128.43 3m3r s TYR 249 Ca -0.11 0.07 -0.00 0.00 0.02 0.00 0.00 57.07 57.05 3m3r s TYR 249 Cb -0.15 -1.89 -0.02 0.00 -1.52 0.00 0.00 41.96 38.38 3m3r s TYR 249 CO 0.02 0.30 -0.02 -2.00 0.02 0.00 0.00 175.55 173.86 3m3r s GLU 250 N -0.35 0.25 -0.14 -0.62 2.12 0.19 -0.95 118.70 119.20 3m3r s GLU 250 Ca 0.07 -0.49 -0.02 0.00 0.36 0.00 0.00 54.97 54.90 3m3r s GLU 250 Cb -0.12 0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.40 3m3r s GLU 250 CO 0.02 -0.04 -0.01 0.50 -0.54 0.00 0.00 175.26 175.19 3m3r s ARG 251 N -1.17 0.90 -0.19 4.30 3.52 -0.38 -0.06 118.95 125.87 3m3r s ARG 251 Ca -0.13 -0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.09 3m3r s ARG 251 Cb -0.08 -1.64 -0.04 0.00 -1.56 0.00 0.00 34.95 31.63 3m3r s ARG 251 CO -0.01 -0.44 0.30 0.08 -0.81 0.00 0.00 175.30 174.42 3m3r s VAL 252 N 1.83 5.29 -0.01 7.11 1.01 -0.13 -0.17 120.40 135.33 3m3r s VAL 252 Ca 0.02 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3m3r s VAL 252 Cb -0.15 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3m3r s VAL 252 CO -0.07 0.34 -0.19 -0.13 0.00 0.00 0.00 175.10 175.05 3m3r s ARG 253 N 0.83 2.23 0.32 2.72 0.52 -0.53 -1.10 118.95 123.95 3m3r s ARG 253 Ca 0.15 -0.87 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 3m3r s ARG 253 Cb -0.14 -2.21 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 3m3r s ARG 253 CO 0.05 0.58 0.37 -0.51 0.02 0.00 0.00 175.30 175.80 3m3r s ASP 254 N -0.95 5.74 -0.25 0.23 1.11 0.15 -1.42 116.67 121.26 3m3r s ASP 254 Ca 0.12 -0.27 -0.03 0.00 0.18 0.00 0.00 52.55 52.56 3m3r s ASP 254 Cb -0.10 -1.24 0.02 0.00 1.07 0.00 0.00 42.92 42.67 3m3r s ASP 254 CO 0.02 -0.32 -0.04 -0.62 1.18 0.00 0.00 175.17 175.39 3m3r s ASP 255 N -4.06 4.43 -0.47 0.27 2.15 0.00 -1.94 116.67 117.06 3m3r s ASP 255 Ca 0.41 -0.81 -0.10 0.00 0.43 0.00 0.00 52.55 52.47 3m3r s ASP 255 Cb -0.08 -1.70 0.11 0.00 -0.30 0.00 0.00 42.92 40.95 3m3r s ASP 255 CO 0.29 -0.13 0.36 -0.47 -0.17 0.00 0.00 175.17 175.05 3m3r s TYR 256 N 1.36 3.39 0.03 -5.34 6.14 0.46 -0.19 117.35 123.19 3m3r s TYR 256 Ca 0.01 -1.72 -0.10 0.00 0.64 0.00 0.00 57.07 55.89 3m3r s TYR 256 Cb -0.17 -3.47 -0.05 0.00 0.42 0.00 0.00 41.96 38.69 3m3r s TYR 256 CO -0.03 -0.98 0.35 -0.65 0.64 0.00 0.00 175.55 174.89 3m3r s GLN 257 N 1.41 3.74 -0.04 4.97 -1.52 -0.11 -0.80 119.66 127.30 3m3r s GLN 257 Ca 0.05 0.16 0.03 0.00 -1.95 0.00 0.00 55.36 53.65 3m3r s GLN 257 Cb -0.26 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.44 3m3r s GLN 257 CO 0.00 0.63 -0.14 -0.51 -0.25 0.00 0.00 175.29 175.02 3m3r s LEU 258 N -1.60 1.82 -0.04 2.90 1.43 0.12 -1.52 118.68 121.79 3m3r s LEU 258 Ca 0.28 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3m3r s LEU 258 Cb -0.14 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.25 3m3r s LEU 258 CO 0.15 0.10 0.11 -1.38 0.23 0.00 0.00 176.35 175.57 3m3r s HIS 259 N 0.23 -0.12 -0.09 0.29 -3.43 -0.81 -1.87 115.29 109.49 3m3r s HIS 259 Ca -0.06 0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.20 3m3r s HIS 259 Cb -0.12 0.03 -0.02 0.00 -1.43 0.00 0.00 32.58 31.04 3m3r s HIS 259 CO 0.02 -0.06 1.08 -0.46 -2.00 0.00 0.00 174.74 173.32 3m3r s TRP 260 N 0.12 3.39 -0.96 0.38 -0.11 -0.48 -2.14 118.94 119.13 3m3r s TRP 260 Ca -0.01 1.45 -0.02 0.00 1.22 0.00 0.00 56.10 58.75 3m3r s TRP 260 Cb -0.01 -3.28 0.29 0.00 -1.50 0.00 0.00 33.47 28.97 3m3r s TRP 260 CO -0.00 -0.65 1.27 0.25 -4.62 0.00 0.00 176.95 173.20 3m3r n THR 261 N 4.59 4.51 0.00 5.86 -2.24 0.18 -4.89 114.28 122.30 3m3r n THR 261 Ca 0.10 -5.73 0.00 0.00 -2.27 0.00 0.00 64.05 56.15 3m3r n THR 261 Cb 0.48 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 3m3r n THR 261 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3m3r n SER 262 N 1.25 0.00 0.00 3.42 2.88 -1.26 -3.46 113.62 116.45 3m3r n SER 262 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3m3r n SER 262 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3m3r n SER 262 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3m3r n THR 263 N 0.00 0.00 -3.92 2.46 -2.24 -1.26 -5.13 114.28 104.19 3m3r n THR 263 Ca 0.00 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 3m3r n THR 263 Cb 0.00 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 3m3r n THR 263 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3m3r s ASN 264 N -0.48 -0.01 0.20 3.42 4.22 -1.22 -4.84 114.94 116.23 3m3r s ASN 264 Ca 0.00 -0.94 -0.10 0.00 -2.14 0.00 0.00 52.86 49.69 3m3r s ASN 264 Cb 0.00 0.71 -0.07 0.00 1.28 0.00 0.00 41.25 43.17 3m3r s ASN 264 CO 0.00 -1.36 0.52 0.26 -2.04 0.00 0.00 177.10 174.47 3m3r s TRP 265 N -3.47 3.46 -0.03 1.54 0.52 0.17 0.52 118.94 121.66 3m3r s TRP 265 Ca 0.18 0.85 -0.03 0.00 0.02 0.00 0.00 56.10 57.11 3m3r s TRP 265 Cb -0.04 -2.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.06 3m3r s TRP 265 CO 0.10 0.33 0.09 0.21 0.02 0.00 0.00 176.95 177.69 3m3r s LYS 266 N -2.64 0.13 0.16 4.98 2.20 -0.91 -4.47 119.74 119.19 3m3r s LYS 266 Ca 0.45 0.07 0.10 0.00 -0.36 0.00 0.00 55.97 56.23 3m3r s LYS 266 Cb -0.12 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 3m3r s LYS 266 CO 0.21 -0.02 -0.23 0.20 -0.36 0.00 0.00 175.35 175.15 3m3r s GLY 267 N -0.08 1.56 0.00 5.54 0.00 -0.12 -1.92 107.32 112.29 3m3r s GLY 267 Ca -0.01 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 3m3r s GLY 267 CO 0.00 -1.55 0.01 -0.51 0.00 0.00 0.00 173.10 171.06 3m3r s THR 268 N -1.58 0.06 -0.11 0.90 -4.23 -0.58 0.59 115.64 110.70 3m3r s THR 268 Ca 0.17 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 3m3r s THR 268 Cb -0.08 -0.19 0.01 0.00 1.34 0.00 0.00 72.50 73.58 3m3r s THR 268 CO 0.08 -0.27 -0.20 0.21 -0.54 0.00 0.00 174.62 173.90 3m3r s ASN 269 N -0.83 2.77 -0.25 3.99 2.47 -1.26 -0.94 114.94 120.90 3m3r s ASN 269 Ca -0.09 -0.51 -0.09 0.00 0.42 0.00 0.00 52.86 52.59 3m3r s ASN 269 Cb -0.06 -1.27 -0.04 0.00 -1.45 0.00 0.00 41.25 38.44 3m3r s ASN 269 CO -0.00 0.08 0.13 -0.89 -3.72 0.00 0.00 177.10 172.70 3m3r s THR 270 N 0.72 4.96 0.27 -5.21 2.01 0.73 -4.94 115.64 114.17 3m3r s THR 270 Ca -0.11 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 3m3r s THR 270 Cb -0.16 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 3m3r s THR 270 CO 0.02 0.33 0.96 -0.54 -0.69 0.00 0.00 174.62 174.69 3m3r s LYS 271 N 1.37 4.76 -1.55 4.92 1.02 -1.26 -0.82 119.74 128.19 3m3r s LYS 271 Ca 0.06 1.49 -0.09 0.00 0.02 0.00 0.00 55.97 57.46 3m3r s LYS 271 Cb -0.15 -3.15 0.07 0.00 -0.52 0.00 0.00 37.83 34.08 3m3r s LYS 271 CO 0.06 0.42 0.59 -0.25 -0.92 0.00 0.00 175.35 175.25 3m3r n ASP 272 N 1.23 -1.80 -0.24 2.83 10.43 -1.25 -4.86 116.55 122.89 3m3r n ASP 272 Ca -0.01 -1.01 -0.08 0.00 2.57 0.00 0.00 54.79 56.27 3m3r n ASP 272 Cb 0.47 -2.90 0.04 0.00 1.84 0.00 0.00 41.12 40.57 3m3r n ASP 272 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 3m3r h LYS 273 N -1.70 1.07 -5.68 -1.24 3.64 -1.41 -3.45 116.57 107.80 3m3r h LYS 273 Ca -0.61 -0.25 -0.50 0.00 -1.27 0.00 0.00 60.65 58.02 3m3r h LYS 273 Cb 1.38 -0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 3m3r h LYS 273 CO 0.70 0.95 -0.72 -1.58 -2.27 0.00 0.00 179.45 176.53 3m3r s TRP 274 N -5.33 1.90 -0.26 1.91 0.51 -0.94 -5.02 118.94 111.72 3m3r s TRP 274 Ca -0.12 -0.56 -0.02 0.00 -2.12 0.00 0.00 56.10 53.29 3m3r s TRP 274 Cb 0.14 -0.93 0.13 0.00 -0.81 0.00 0.00 33.47 32.00 3m3r s TRP 274 CO 0.84 0.41 0.33 0.99 -0.51 0.00 0.00 176.95 179.01 3m3r s THR 275 N -2.88 -0.49 -0.50 2.01 2.01 -1.26 -1.45 115.64 113.08 3m3r s THR 275 Ca 0.26 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 3m3r s THR 275 Cb -0.00 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.68 3m3r s THR 275 CO 0.10 -0.27 0.78 -1.81 -0.69 0.00 0.00 174.62 172.73 3m3r s ASP 276 N 2.44 6.32 -0.25 3.53 1.01 0.76 -4.93 116.67 125.55 3m3r s ASP 276 Ca 0.10 -0.47 -0.06 0.00 0.71 0.00 0.00 52.55 52.83 3m3r s ASP 276 Cb -0.15 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3m3r s ASP 276 CO -0.22 -1.01 0.03 -0.60 0.21 0.00 0.00 175.17 173.58 3m3r s ARG 277 N 3.28 3.41 -0.25 8.23 3.52 -1.26 -1.25 118.95 134.63 3m3r s ARG 277 Ca 0.25 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 3m3r s ARG 277 Cb -0.15 -3.22 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3m3r s ARG 277 CO 0.18 -0.25 -0.09 0.45 -0.81 0.00 0.00 175.30 174.78 3m3r s SER 278 N 1.53 4.28 0.12 -2.12 0.15 -0.13 -5.01 113.70 112.53 3m3r s SER 278 Ca 0.05 -1.07 0.09 0.00 0.70 0.00 0.00 55.95 55.73 3m3r s SER 278 Cb -0.15 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 3m3r s SER 278 CO 0.01 -0.15 -0.18 -0.55 1.20 0.00 0.00 173.24 173.57 3m3r s SER 279 N 1.24 3.88 -0.12 5.45 0.15 -1.26 -0.66 113.70 122.37 3m3r s SER 279 Ca -0.03 -0.58 -0.12 0.00 0.70 0.00 0.00 55.95 55.93 3m3r s SER 279 Cb -0.18 -0.54 0.03 0.00 -1.71 0.00 0.00 66.02 63.63 3m3r s SER 279 CO -0.05 0.17 0.34 -0.70 1.20 0.00 0.00 173.24 174.19 3m3r s GLU 280 N -2.20 0.40 -0.17 5.44 2.12 -0.05 -4.97 118.70 119.26 3m3r s GLU 280 Ca 0.18 0.45 -0.09 0.00 0.36 0.00 0.00 54.97 55.87 3m3r s GLU 280 Cb -0.10 0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 3m3r s GLU 280 CO 0.10 -0.05 0.13 0.50 -0.54 0.00 0.00 175.26 175.40 3m3r s ARG 281 N 0.13 3.91 0.09 4.30 3.52 -1.26 -0.55 118.95 129.09 3m3r s ARG 281 Ca -0.00 -0.19 0.09 0.00 -0.13 0.00 0.00 55.73 55.49 3m3r s ARG 281 Cb -0.02 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3m3r s ARG 281 CO 0.01 0.47 -0.21 0.71 -0.81 0.00 0.00 175.30 175.47 3m3r s TYR 282 N -0.14 2.47 -0.13 5.12 2.02 0.10 -4.65 117.35 122.13 3m3r s TYR 282 Ca 0.10 -0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3m3r s TYR 282 Cb -0.11 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 3m3r s TYR 282 CO 0.00 0.31 -0.02 0.15 -1.57 0.00 0.00 175.55 174.42 3m3r s LYS 283 N -1.81 3.46 -0.21 -0.62 1.02 0.91 -1.45 119.74 121.04 3m3r s LYS 283 Ca 0.15 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.66 3m3r s LYS 283 Cb -0.10 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 3m3r s LYS 283 CO 0.07 0.40 -0.09 0.42 -0.92 0.00 0.00 175.35 175.23 3m3r s ILE 284 N -0.06 2.94 -0.41 2.17 1.01 0.20 -1.35 121.20 125.70 3m3r s ILE 284 Ca 0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 3m3r s ILE 284 Cb -0.13 -2.34 0.10 0.00 0.01 0.00 0.00 42.46 40.09 3m3r s ILE 284 CO 0.02 0.41 0.22 -0.62 0.00 0.00 0.00 174.94 174.97 3m3r s ASP 285 N 1.40 5.39 0.52 3.58 3.68 -0.19 -0.41 116.67 130.63 3m3r s ASP 285 Ca 0.05 -1.78 0.34 0.00 2.13 0.00 0.00 52.55 53.29 3m3r s ASP 285 Cb -0.14 -1.89 1.53 0.00 -1.45 0.00 0.00 42.92 40.97 3m3r s ASP 285 CO -0.06 -0.53 2.01 -0.50 0.13 0.00 0.00 175.17 176.22 3m3r h TRP 286 N 8.20 0.00 0.15 -5.34 4.06 -1.44 0.34 115.95 121.93 3m3r h TRP 286 Ca -0.18 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.47 3m3r h TRP 286 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3m3r h TRP 286 CO 0.59 0.00 -1.51 0.93 -3.56 0.00 0.00 178.44 174.89 3m3r h GLU 287 N 0.00 0.32 0.00 0.49 5.08 -1.94 -3.32 114.58 115.21 3m3r h GLU 287 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3m3r h GLU 287 Cb 0.36 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3m3r h GLU 287 CO 0.00 1.26 -0.37 0.87 -1.00 0.00 0.00 179.01 179.77 3m3r h LYS 288 N -0.13 0.00 -5.63 2.33 1.57 -1.91 -3.47 116.57 109.32 3m3r h LYS 288 Ca -0.31 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.16 3m3r h LYS 288 Cb 1.90 0.00 0.17 0.00 0.08 0.00 0.00 32.23 34.38 3m3r h LYS 288 CO 0.12 0.00 -0.82 0.39 -0.57 0.00 0.00 179.45 178.57 3m3r n GLU 289 N -2.44 -4.46 -4.12 3.15 1.02 0.12 -5.02 120.64 108.89 3m3r n GLU 289 Ca 0.04 0.82 -0.16 0.00 -0.02 0.00 0.00 57.16 57.84 3m3r n GLU 289 Cb 0.47 -5.72 -0.12 0.00 -0.02 0.00 0.00 31.44 26.06 3m3r n GLU 289 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3m3r s GLU 290 N -5.05 0.69 -0.04 3.49 2.02 -0.92 -4.89 118.70 113.99 3m3r s GLU 290 Ca 0.21 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.34 3m3r s GLU 290 Cb -0.03 -0.57 0.01 0.00 0.10 0.00 0.00 34.13 33.64 3m3r s GLU 290 CO 0.75 0.12 -0.10 1.41 0.02 0.00 0.00 175.26 177.45 3m3r s MET 291 N -1.74 1.26 0.13 1.61 1.75 -1.26 -1.03 119.30 120.02 3m3r s MET 291 Ca -0.05 -0.35 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 3m3r s MET 291 Cb -0.10 -1.12 -0.03 0.00 2.84 0.00 0.00 34.83 36.42 3m3r s MET 291 CO 0.01 0.08 0.11 0.95 -0.65 0.00 0.00 175.02 175.52 3m3r s THR 292 N 0.41 0.11 0.00 10.11 -4.23 -0.46 -4.98 115.64 116.60 3m3r s THR 292 Ca -0.08 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3m3r s THR 292 Cb -0.12 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.82 3m3r s THR 292 CO 0.02 -0.50 0.07 -0.46 -0.54 0.00 0.00 174.62 173.20