#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 0.33 0.07 0.00 5.19 -1.92 0.75 116.42 120.83 3m3r h ASP 2 Ca 0.00 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3m3r h ASP 2 Cb 0.00 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 3m3r h ASP 2 CO 0.00 0.11 -0.06 0.77 -3.12 0.00 0.00 179.24 176.94 3m3r h SER 3 N 0.47 0.00 0.89 6.45 4.64 -1.89 0.17 113.55 124.28 3m3r h SER 3 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3m3r h SER 3 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3m3r h SER 3 CO -0.42 0.06 0.00 0.44 -0.87 0.00 0.00 176.83 176.04 3m3r h ASP 4 N 0.00 0.00 -0.05 4.97 5.19 -1.18 -2.81 116.42 122.54 3m3r h ASP 4 Ca -0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3m3r h ASP 4 Cb 0.11 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 3m3r h ASP 4 CO 0.01 0.00 -0.52 2.30 -3.12 0.00 0.00 179.24 177.91 3m3r n ILE 5 N -2.84 2.23 -2.32 0.35 -5.35 -0.14 -4.98 119.36 106.31 3m3r n ILE 5 Ca 0.01 -3.32 -0.18 0.00 -0.27 0.00 0.00 62.75 58.99 3m3r n ILE 5 Cb 0.27 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 37.85 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 -1.09 -5.31 -4.43 7.28 4.13 -1.00 -4.99 115.26 109.84 3m3r n ASN 6 Ca 0.21 0.08 -0.33 0.00 1.68 0.00 0.00 54.58 56.22 3m3r n ASN 6 Cb 0.71 -4.47 -0.14 0.00 -1.54 0.00 0.00 39.78 34.35 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 -2.89 3.10 0.08 2.41 1.01 -0.14 -4.99 121.20 119.79 3m3r s ILE 7 Ca 0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 60.65 59.60 3m3r s ILE 7 Cb 0.00 -2.26 -0.17 0.00 0.01 0.00 0.00 42.46 40.05 3m3r s ILE 7 CO 0.00 0.56 1.36 1.17 0.00 0.00 0.00 174.94 178.03 3m3r n LYS 8 N 2.87 1.19 -1.63 2.79 4.81 -1.26 -3.23 118.16 123.69 3m3r n LYS 8 Ca -0.18 0.43 -0.52 0.00 -0.87 0.00 0.00 58.31 57.17 3m3r n LYS 8 Cb 0.52 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.44 3m3r n LYS 8 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3m3r n THR 9 N 2.59 0.09 0.00 3.15 -1.04 -1.26 -1.30 114.28 116.51 3m3r n THR 9 Ca 0.18 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 3m3r n THR 9 Cb 0.19 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 3.09 2.34 0.38 3.41 0.00 -1.26 -4.92 105.19 108.22 3m3r n GLY 10 Ca 0.20 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.42 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 0.53 -0.60 2.61 2.02 -1.54 -0.94 112.91 114.99 3m3r h THR 11 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3m3r h THR 11 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3m3r h THR 11 CO 0.00 0.09 0.00 0.35 0.37 0.00 0.00 175.52 176.33 3m3r n THR 12 N -4.73 0.85 -2.05 3.16 -2.24 -1.26 -4.96 114.28 103.04 3m3r n THR 12 Ca 0.26 -0.82 -0.30 0.00 -2.27 0.00 0.00 64.05 60.92 3m3r n THR 12 Cb 0.83 0.38 0.01 0.00 -2.10 0.00 0.00 70.33 69.44 3m3r n THR 12 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3m3r s ASP 13 N -0.99 6.20 0.11 3.42 1.01 -0.36 -5.07 116.67 120.99 3m3r s ASP 13 Ca 0.40 1.29 0.03 0.00 0.71 0.00 0.00 52.55 54.98 3m3r s ASP 13 Cb 0.21 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3m3r s ASP 13 CO 0.27 -0.82 0.15 -0.63 0.21 0.00 0.00 175.17 174.35 3m3r s ILE 14 N -3.08 4.81 0.00 0.77 1.01 -1.26 -4.71 121.20 118.74 3m3r s ILE 14 Ca 0.53 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3m3r s ILE 14 Cb -0.11 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3m3r s ILE 14 CO 0.52 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3m3r n GLY 15 N 0.02 1.80 3.76 6.18 0.00 -1.26 -5.09 105.19 110.61 3m3r n GLY 15 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3m3r n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m3r s SER 16 N -1.78 5.96 -1.37 1.61 1.04 -1.26 -3.15 113.70 114.75 3m3r s SER 16 Ca 0.00 2.54 -0.04 0.00 0.48 0.00 0.00 55.95 58.92 3m3r s SER 16 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.52 3m3r s SER 16 CO 0.00 -1.08 0.81 -3.20 0.98 0.00 0.00 173.24 170.75 3m3r n ASN 17 N -0.45 -2.47 -3.83 7.02 4.05 -1.26 -4.95 115.26 113.37 3m3r n ASN 17 Ca 0.07 -0.79 -0.15 0.00 0.45 0.00 0.00 54.58 54.16 3m3r n ASN 17 Cb 0.46 -4.08 -0.15 0.00 1.23 0.00 0.00 39.78 37.23 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 -3.54 0.06 -0.39 -0.44 2.01 -1.19 -4.93 115.64 107.23 3m3r s THR 18 Ca 0.22 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.03 3m3r s THR 18 Cb -0.11 -0.13 0.02 0.00 0.01 0.00 0.00 72.50 72.29 3m3r s THR 18 CO 0.81 0.08 0.94 -0.89 -0.69 0.00 0.00 174.62 174.86 3m3r s THR 19 N 0.60 4.55 -0.07 -0.82 2.01 -1.26 -5.01 115.64 115.63 3m3r s THR 19 Ca -0.05 1.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.90 3m3r s THR 19 Cb -0.08 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 3m3r s THR 19 CO -0.01 -0.60 0.47 -0.69 -0.69 0.00 0.00 174.62 173.10 3m3r s VAL 20 N 3.56 5.11 -0.20 3.82 1.01 -1.26 -4.72 120.40 127.72 3m3r s VAL 20 Ca 0.38 0.95 -0.07 0.00 0.00 0.00 0.00 61.98 63.24 3m3r s VAL 20 Cb -0.11 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3m3r s VAL 20 CO 0.20 0.40 0.06 -0.54 0.00 0.00 0.00 175.10 175.23 3m3r s LYS 21 N 0.10 3.87 0.28 2.72 -0.14 -1.03 -4.94 119.74 120.59 3m3r s LYS 21 Ca 0.26 -0.39 0.06 0.00 -1.36 0.00 0.00 55.97 54.53 3m3r s LYS 21 Cb -0.16 -3.24 -0.06 0.00 -1.68 0.00 0.00 37.83 32.69 3m3r s LYS 21 CO 0.12 0.13 -0.04 0.95 -0.76 0.00 0.00 175.35 175.75 3m3r s THR 22 N 0.76 1.51 0.08 2.17 -4.23 -1.26 0.14 115.64 114.81 3m3r s THR 22 Ca 0.03 -2.10 -0.26 0.00 -1.18 0.00 0.00 61.69 58.19 3m3r s THR 22 Cb -0.13 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.33 3m3r s THR 22 CO 0.02 -0.28 0.74 -0.83 -0.54 0.00 0.00 174.62 173.73 3m3r s GLY 23 N -3.43 -0.54 -0.03 3.99 0.00 -0.54 -4.99 107.32 101.79 3m3r s GLY 23 Ca 0.30 0.74 0.07 0.00 0.00 0.00 0.00 44.72 45.83 3m3r s GLY 23 CO 0.12 0.25 -0.24 0.99 0.00 0.00 0.00 173.10 174.22 3m3r s ASP 24 N -2.62 2.80 -0.05 1.64 1.11 -1.26 -1.23 116.67 117.07 3m3r s ASP 24 Ca 0.03 -0.44 -0.02 0.00 0.18 0.00 0.00 52.55 52.30 3m3r s ASP 24 Cb -0.01 -0.44 0.03 0.00 1.07 0.00 0.00 42.92 43.57 3m3r s ASP 24 CO -0.11 0.27 0.04 -0.76 1.18 0.00 0.00 175.17 175.79 3m3r s LEU 25 N -0.44 0.40 -0.07 1.23 1.02 -0.49 -5.00 118.68 115.34 3m3r s LEU 25 Ca 0.06 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.28 3m3r s LEU 25 Cb -0.10 -0.24 -0.01 0.00 0.02 0.00 0.00 46.19 45.86 3m3r s LEU 25 CO 0.00 -0.22 -0.23 -0.69 0.02 0.00 0.00 176.35 175.24 3m3r s VAL 26 N 1.97 2.25 -0.05 -1.59 1.01 -1.26 -0.61 120.40 122.13 3m3r s VAL 26 Ca 0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 3m3r s VAL 26 Cb -0.12 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3m3r s VAL 26 CO -0.04 0.57 -0.00 -0.89 0.00 0.00 0.00 175.10 174.74 3m3r s THR 27 N -0.16 0.30 -0.24 3.92 2.01 0.12 -5.01 115.64 116.58 3m3r s THR 27 Ca -0.03 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.99 3m3r s THR 27 Cb -0.14 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 3m3r s THR 27 CO 0.04 0.21 0.05 -0.47 -0.69 0.00 0.00 174.62 173.76 3m3r s TYR 28 N 1.47 3.07 -0.58 4.92 6.14 -1.26 -0.37 117.35 130.74 3m3r s TYR 28 Ca -0.03 -0.46 -0.18 0.00 0.64 0.00 0.00 57.07 57.04 3m3r s TYR 28 Cb -0.13 -2.20 0.11 0.00 0.42 0.00 0.00 41.96 40.16 3m3r s TYR 28 CO -0.03 -0.34 0.66 0.34 0.64 0.00 0.00 175.55 176.82 3m3r s ASP 29 N 1.48 6.18 0.09 4.32 3.68 -0.02 -4.95 116.67 127.45 3m3r s ASP 29 Ca 0.06 -1.49 -0.24 0.00 2.13 0.00 0.00 52.55 53.00 3m3r s ASP 29 Cb -0.15 -2.28 -0.16 0.00 -1.45 0.00 0.00 42.92 38.88 3m3r s ASP 29 CO 0.03 -1.06 1.72 0.11 0.13 0.00 0.00 175.17 176.10 3m3r h LYS 30 N 9.12 -0.12 -0.30 4.34 1.57 -1.97 0.25 116.57 129.47 3m3r h LYS 30 Ca -0.30 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 3m3r h LYS 30 Cb 1.09 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 3m3r h LYS 30 CO 1.08 -0.08 -0.07 1.49 -0.57 0.00 0.00 179.45 181.31 3m3r h GLU 31 N -0.13 0.49 -0.02 3.15 4.81 -1.99 -2.65 114.58 118.24 3m3r h GLU 31 Ca -0.01 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3m3r h GLU 31 Cb 0.10 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3m3r h GLU 31 CO 0.02 0.57 -0.11 0.09 -0.73 0.00 0.00 179.01 178.85 3m3r n ASN 32 N -4.24 2.08 -3.61 1.04 3.02 -1.18 -5.00 115.26 107.37 3m3r n ASN 32 Ca 0.01 -1.61 -0.26 0.00 -0.03 0.00 0.00 54.58 52.69 3m3r n ASN 32 Cb 0.28 0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.58 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 1.30 -1.08 2.71 7.41 0.00 0.80 -4.80 105.19 111.53 3m3r n GLY 33 Ca 0.15 0.48 -0.20 0.00 0.00 0.00 0.00 46.02 46.44 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 -5.43 0.12 -0.47 1.61 -1.94 -0.66 -2.33 119.30 110.19 3m3r s MET 34 Ca 0.34 0.29 -0.21 0.00 -1.71 0.00 0.00 55.69 54.41 3m3r s MET 34 Cb -0.12 -0.62 0.04 0.00 2.01 0.00 0.00 34.83 36.13 3m3r s MET 34 CO 0.85 -0.31 0.67 -1.58 -0.01 0.00 0.00 175.02 174.64 3m3r s HIS 35 N 2.03 3.03 -0.26 -0.03 2.46 -0.18 -0.84 115.29 121.49 3m3r s HIS 35 Ca 0.04 -0.21 -0.07 0.00 0.47 0.00 0.00 55.06 55.29 3m3r s HIS 35 Cb -0.12 -3.48 -0.01 0.00 -0.13 0.00 0.00 32.58 28.83 3m3r s HIS 35 CO -0.04 -0.97 0.07 0.15 -2.47 0.00 0.00 174.74 171.48 3m3r s LYS 36 N 2.88 3.44 -0.07 2.88 1.02 0.50 -0.54 119.74 129.85 3m3r s LYS 36 Ca 0.21 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.61 3m3r s LYS 36 Cb -0.16 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 3m3r s LYS 36 CO 0.17 -0.28 -0.18 0.21 -0.92 0.00 0.00 175.35 174.34 3m3r s LYS 37 N 1.57 2.26 -0.17 1.68 2.36 -1.25 0.12 119.74 126.30 3m3r s LYS 37 Ca 0.05 -0.65 -0.01 0.00 -2.55 0.00 0.00 55.97 52.81 3m3r s LYS 37 Cb -0.16 -1.80 -0.00 0.00 -1.05 0.00 0.00 37.83 34.82 3m3r s LYS 37 CO 0.03 0.15 -0.12 0.08 1.55 0.00 0.00 175.35 177.04 3m3r s VAL 38 N 0.37 2.92 -0.26 4.02 1.01 0.22 -0.48 120.40 128.20 3m3r s VAL 38 Ca -0.13 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3m3r s VAL 38 Cb -0.16 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3m3r s VAL 38 CO 0.05 0.49 -0.03 0.12 0.00 0.00 0.00 175.10 175.73 3m3r s PHE 39 N 0.97 3.09 0.27 5.22 5.36 0.01 -1.39 117.98 131.52 3m3r s PHE 39 Ca -0.02 -1.46 0.10 0.00 -0.96 0.00 0.00 56.93 54.60 3m3r s PHE 39 Cb -0.15 -2.10 -0.05 0.00 -0.34 0.00 0.00 43.02 40.39 3m3r s PHE 39 CO -0.01 -0.70 -0.07 1.52 -1.46 0.00 0.00 175.22 174.49 3m3r s TYR 40 N 1.35 2.55 -0.14 10.12 1.13 -0.36 -0.40 117.35 131.60 3m3r s TYR 40 Ca 0.00 -0.26 -0.05 0.00 -1.41 0.00 0.00 57.07 55.35 3m3r s TYR 40 Cb -0.17 -1.13 0.07 0.00 -1.10 0.00 0.00 41.96 39.63 3m3r s TYR 40 CO -0.03 0.65 0.30 -1.12 -2.51 0.00 0.00 175.55 172.84 3m3r s SER 41 N -3.62 0.10 -0.17 -0.18 0.01 -0.16 -1.47 113.70 108.21 3m3r s SER 41 Ca 0.31 0.68 -0.15 0.00 1.31 0.00 0.00 55.95 58.09 3m3r s SER 41 Cb -0.06 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 3m3r s SER 41 CO 0.18 -0.22 0.37 -0.36 0.41 0.00 0.00 173.24 173.62 3m3r s PHE 42 N 2.22 3.43 -0.32 2.43 0.40 0.12 -0.48 117.98 125.78 3m3r s PHE 42 Ca -0.02 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 3m3r s PHE 42 Cb -0.12 -2.46 0.10 0.00 0.51 0.00 0.00 43.02 41.05 3m3r s PHE 42 CO -0.10 0.11 0.06 0.42 0.70 0.00 0.00 175.22 176.41 3m3r s ILE 43 N 0.89 1.66 -0.98 0.64 1.01 0.50 -2.48 121.20 122.44 3m3r s ILE 43 Ca 0.19 -1.88 -0.02 0.00 0.00 0.00 0.00 60.65 58.94 3m3r s ILE 43 Cb -0.14 -2.21 0.29 0.00 0.01 0.00 0.00 42.46 40.41 3m3r s ILE 43 CO 0.07 -0.59 1.28 -0.67 0.00 0.00 0.00 174.94 175.03 3m3r n ASP 44 N 4.52 5.73 -4.60 3.58 4.64 -1.26 -1.58 116.55 127.58 3m3r n ASP 44 Ca 0.00 -3.40 -0.43 0.00 -1.38 0.00 0.00 54.79 49.59 3m3r n ASP 44 Cb 0.42 -1.14 -0.02 0.00 -1.04 0.00 0.00 41.12 39.34 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 -1.74 6.48 0.18 1.67 3.68 -1.26 -4.92 116.67 120.75 3m3r s ASP 45 Ca 0.33 0.75 0.14 0.00 2.13 0.00 0.00 52.55 55.89 3m3r s ASP 45 Cb 0.06 -2.54 0.70 0.00 -1.45 0.00 0.00 42.92 39.69 3m3r s ASP 45 CO 0.06 -1.33 1.42 0.29 0.13 0.00 0.00 175.17 175.75 3m3r n LYS 46 N 7.90 0.09 -0.22 4.34 4.76 -1.26 -0.94 118.16 132.83 3m3r n LYS 46 Ca 0.15 0.54 0.10 0.00 -2.87 0.00 0.00 58.31 56.23 3m3r n LYS 46 Cb 0.48 -1.75 0.27 0.00 -1.84 0.00 0.00 35.03 32.18 3m3r n LYS 46 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3m3r n ASN 47 N -1.93 2.96 -4.55 4.39 3.02 -1.26 -4.84 115.26 113.04 3m3r n ASN 47 Ca -0.00 -1.94 -0.34 0.00 -0.03 0.00 0.00 54.58 52.27 3m3r n ASN 47 Cb 0.05 -0.29 -0.12 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.43 2.92 -2.00 3.10 2.46 -0.12 -5.01 115.29 115.21 3m3r s HIS 48 Ca 0.38 -0.06 0.10 0.00 0.47 0.00 0.00 55.06 55.94 3m3r s HIS 48 Cb 0.21 -1.73 0.57 0.00 -0.13 0.00 0.00 32.58 31.49 3m3r s HIS 48 CO 0.28 0.26 0.99 0.27 -2.47 0.00 0.00 174.74 174.07 3m3r n ASN 49 N 2.42 0.00 -3.52 9.88 6.94 -1.26 -4.77 115.26 124.95 3m3r n ASN 49 Ca -0.18 -0.41 -0.15 0.00 -0.02 0.00 0.00 54.58 53.83 3m3r n ASN 49 Cb 0.53 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.90 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 -2.00 1.10 0.46 -3.83 1.02 -1.26 -4.75 119.74 110.49 3m3r s LYS 50 Ca 0.14 -0.11 -0.22 0.00 0.02 0.00 0.00 55.97 55.80 3m3r s LYS 50 Cb 0.07 0.51 -0.08 0.00 -0.52 0.00 0.00 37.83 37.81 3m3r s LYS 50 CO 0.11 -0.40 1.10 0.15 -0.92 0.00 0.00 175.35 175.38 3m3r s LYS 51 N -2.31 3.83 0.03 1.68 1.02 -0.17 -4.71 119.74 119.11 3m3r s LYS 51 Ca -0.06 1.58 0.07 0.00 0.02 0.00 0.00 55.97 57.58 3m3r s LYS 51 Cb -0.01 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 3m3r s LYS 51 CO -0.00 -0.45 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.28 3m3r s LEU 52 N -3.13 2.13 -0.08 3.17 1.43 -0.61 -1.23 118.68 120.36 3m3r s LEU 52 Ca 0.64 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3m3r s LEU 52 Cb -0.23 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.09 3m3r s LEU 52 CO 0.28 0.16 -0.08 -0.22 0.23 0.00 0.00 176.35 176.72 3m3r s LEU 53 N -0.97 1.35 -0.25 1.79 2.96 -0.40 -0.37 118.68 122.79 3m3r s LEU 53 Ca 0.07 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3m3r s LEU 53 Cb -0.08 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 3m3r s LEU 53 CO 0.01 -0.05 0.04 -0.69 -1.32 0.00 0.00 176.35 174.34 3m3r s VAL 54 N 1.18 4.06 -0.30 1.68 1.01 0.37 -0.91 120.40 127.49 3m3r s VAL 54 Ca -0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3m3r s VAL 54 Cb -0.14 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3m3r s VAL 54 CO -0.02 0.33 0.05 -0.63 0.00 0.00 0.00 175.10 174.83 3m3r s ILE 55 N 1.57 3.59 -0.26 2.22 1.01 0.27 -0.98 121.20 128.62 3m3r s ILE 55 Ca 0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 3m3r s ILE 55 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3m3r s ILE 55 CO 0.02 0.01 0.13 -0.13 0.00 0.00 0.00 174.94 174.97 3m3r s ARG 56 N 1.41 3.84 -0.37 2.79 0.52 0.46 -0.80 118.95 126.80 3m3r s ARG 56 Ca -0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.68 3m3r s ARG 56 Cb -0.18 -3.50 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 3m3r s ARG 56 CO 0.01 -0.15 0.34 0.95 0.02 0.00 0.00 175.30 176.46 3m3r s THR 57 N 1.61 5.19 0.00 0.02 -4.23 -0.13 -0.81 115.64 117.29 3m3r s THR 57 Ca 0.07 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3m3r s THR 57 Cb -0.15 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.82 3m3r s THR 57 CO 0.07 -0.18 0.00 0.29 -0.54 0.00 0.00 174.62 174.26 3m3r n LYS 58 N 5.33 1.61 0.00 3.99 5.02 0.37 -2.87 118.16 131.61 3m3r n LYS 58 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3m3r n LYS 58 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 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 4.78 -1.10 3.41 0.72 0.00 -1.26 -3.86 105.19 107.88 3m3r n GLY 59 Ca 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 3m3r n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m3r s THR 60 N 0.00 -0.06 -0.36 2.61 2.01 0.30 -3.69 115.64 116.45 3m3r s THR 60 Ca 0.00 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 3m3r s THR 60 Cb 0.00 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 3m3r s THR 60 CO 0.00 0.03 0.26 -0.63 -0.69 0.00 0.00 174.62 173.59 3m3r s ILE 61 N 1.56 5.27 0.45 1.82 1.01 0.78 -1.01 121.20 131.08 3m3r s ILE 61 Ca -0.09 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 3m3r s ILE 61 Cb -0.07 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 3m3r s ILE 61 CO -0.15 -0.09 1.12 0.00 0.00 0.00 0.00 174.94 175.82 3m3r n ALA 62 N 5.13 0.68 0.15 9.38 0.00 -0.99 -1.57 120.51 133.29 3m3r n ALA 62 Ca -0.12 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 3m3r n ALA 62 Cb 0.49 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 3m3r n ALA 62 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3m3r h GLY 63 N 1.62 -0.44 -4.35 0.00 0.00 -0.28 -3.45 103.07 96.17 3m3r h GLY 63 Ca -0.46 0.16 -0.27 0.00 0.00 0.00 0.00 47.33 46.76 3m3r h GLY 63 CO 0.57 -0.16 -0.47 -1.06 0.00 0.00 0.00 176.54 175.42 3m3r n GLN 64 N -5.11 -5.47 -2.49 4.80 6.02 -0.87 -4.25 117.38 110.01 3m3r n GLN 64 Ca -0.09 0.57 -0.42 0.00 -0.01 0.00 0.00 57.00 57.05 3m3r n GLN 64 Cb 0.27 -4.84 -0.02 0.00 1.02 0.00 0.00 30.24 26.67 3m3r n GLN 64 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3m3r s TYR 65 N -3.22 2.52 -0.14 1.08 6.14 -0.93 -4.58 117.35 118.21 3m3r s TYR 65 Ca 0.38 0.54 -0.24 0.00 0.64 0.00 0.00 57.07 58.40 3m3r s TYR 65 Cb -0.17 -4.43 0.06 0.00 0.42 0.00 0.00 41.96 37.84 3m3r s TYR 65 CO 0.50 -1.70 0.59 -0.98 0.64 0.00 0.00 175.55 174.61 3m3r s ARG 66 N 5.00 0.82 -0.22 4.97 1.70 -0.34 -4.89 118.95 126.00 3m3r s ARG 66 Ca 0.50 0.51 -0.29 0.00 -0.47 0.00 0.00 55.73 55.98 3m3r s ARG 66 Cb -0.09 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 3m3r s ARG 66 CO 0.28 -0.18 1.29 0.54 -1.08 0.00 0.00 175.30 176.15 3m3r s VAL 67 N -0.41 4.20 -0.06 4.99 0.11 -1.26 -0.77 120.40 127.20 3m3r s VAL 67 Ca -0.06 1.42 0.13 0.00 -2.93 0.00 0.00 61.98 60.54 3m3r s VAL 67 Cb -0.03 -4.04 -0.19 0.00 -1.53 0.00 0.00 36.38 30.59 3m3r s VAL 67 CO 0.04 -0.26 0.21 0.00 -3.33 0.00 0.00 175.10 171.76 3m3r n TYR 68 N 7.06 0.00 -4.46 1.54 4.11 -0.47 -4.95 117.16 119.99 3m3r n TYR 68 Ca 0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.81 3m3r n TYR 68 Cb 0.45 -0.42 -0.16 0.00 -0.00 0.00 0.00 39.34 39.21 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 -3.92 1.50 -0.06 9.48 0.15 -1.12 -4.98 113.70 114.75 3m3r s SER 69 Ca -0.05 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 3m3r s SER 69 Cb 0.07 -0.69 0.03 0.00 -1.71 0.00 0.00 66.02 63.71 3m3r s SER 69 CO 0.55 0.01 0.03 -0.70 1.20 0.00 0.00 173.24 174.33 3m3r s GLU 70 N 0.71 0.25 -0.34 5.44 2.12 -1.26 0.21 118.70 125.82 3m3r s GLU 70 Ca -0.13 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.46 3m3r s GLU 70 Cb -0.15 -0.74 0.09 0.00 0.26 0.00 0.00 34.13 33.59 3m3r s GLU 70 CO 0.03 -0.32 0.07 -1.21 -0.54 0.00 0.00 175.26 173.28 3m3r s GLU 71 N 2.07 1.80 3.08 4.30 2.02 0.69 -4.98 118.70 127.69 3m3r s GLU 71 Ca 0.05 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.30 3m3r s GLU 71 Cb -0.12 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.84 3m3r s GLU 71 CO -0.04 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.75 3m3r n GLY 72 N 4.40 0.75 0.00 -1.39 0.00 -1.26 -3.63 105.19 104.06 3m3r n GLY 72 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3m3r n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3r n ALA 73 N 5.89 0.00 -1.54 4.61 0.00 -1.26 -4.80 120.51 123.42 3m3r n ALA 73 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3m3r n ALA 73 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 3m3r n ALA 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m3r n ASN 74 N 0.00 1.72 -3.60 0.00 5.03 -1.26 -0.66 115.26 116.49 3m3r n ASN 74 Ca 0.00 -3.25 -0.10 0.00 0.87 0.00 0.00 54.58 52.09 3m3r n ASN 74 Cb 0.15 -0.44 -0.10 0.00 -1.02 0.00 0.00 39.78 38.37 3m3r n ASN 74 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3m3r s LYS 75 N -2.50 0.27 -0.00 3.52 2.20 -1.24 -1.32 119.74 120.68 3m3r s LYS 75 Ca 0.32 0.84 -0.17 0.00 -0.36 0.00 0.00 55.97 56.60 3m3r s LYS 75 Cb 0.31 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 3m3r s LYS 75 CO -0.04 -0.34 0.37 0.45 -0.36 0.00 0.00 175.35 175.43 3m3r s SER 76 N 2.54 -0.26 -0.01 1.43 0.15 -0.58 -0.22 113.70 116.76 3m3r s SER 76 Ca 0.02 0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.87 3m3r s SER 76 Cb -0.13 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 3m3r s SER 76 CO -0.12 -0.52 -0.22 -0.83 1.20 0.00 0.00 173.24 172.75 3m3r s GLY 77 N -1.48 1.09 -0.12 9.45 0.00 0.57 -0.33 107.32 116.49 3m3r s GLY 77 Ca -0.11 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.67 3m3r s GLY 77 CO 0.03 -0.82 -0.22 -2.27 0.00 0.00 0.00 173.10 169.82 3m3r s LEU 78 N -0.63 2.06 -0.20 0.66 2.96 0.25 -1.37 118.68 122.41 3m3r s LEU 78 Ca 0.08 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 3m3r s LEU 78 Cb -0.09 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3m3r s LEU 78 CO -0.00 0.10 0.38 0.00 -1.32 0.00 0.00 176.35 175.51 3m3r s ALA 79 N 0.65 3.56 0.07 5.97 0.00 0.05 -0.64 121.76 131.42 3m3r s ALA 79 Ca -0.12 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3m3r s ALA 79 Cb -0.16 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 3m3r s ALA 79 CO 0.02 -0.27 -0.07 1.67 0.00 0.00 0.00 175.76 177.12 3m3r s TRP 80 N 1.23 0.78 -0.55 0.00 1.48 -0.94 -1.20 118.94 119.74 3m3r s TRP 80 Ca 0.18 -0.73 -0.28 0.00 -1.06 0.00 0.00 56.10 54.21 3m3r s TRP 80 Cb -0.15 -0.46 0.03 0.00 -1.16 0.00 0.00 33.47 31.73 3m3r s TRP 80 CO 0.08 -0.13 1.18 -1.25 -4.06 0.00 0.00 176.95 172.77 3m3r s PRO 81 N -2.83 3.56 0.27 3.25 0.04 -1.26 0.58 135.00 138.61 3m3r s PRO 81 Ca 0.02 0.32 0.22 0.00 0.04 0.00 0.00 61.00 61.60 3m3r s PRO 81 Cb -0.02 -3.99 0.09 0.00 0.04 0.00 0.00 34.50 30.63 3m3r s PRO 81 CO -0.03 -1.61 1.21 0.66 0.04 0.00 0.00 177.00 177.28 3m3r h SER 82 N 9.46 0.00 -4.65 6.66 4.64 -0.14 -3.44 113.55 126.09 3m3r h SER 82 Ca -0.24 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 3m3r h SER 82 Cb 1.06 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.94 3m3r h SER 82 CO 1.17 0.07 -0.00 0.00 -0.87 0.00 0.00 176.83 177.20 3m3r s ALA 83 N -3.27 -1.41 -0.06 5.18 0.00 -0.93 0.13 121.76 121.40 3m3r s ALA 83 Ca 0.02 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.21 3m3r s ALA 83 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3m3r s ALA 83 CO 0.75 -0.31 -0.23 -0.06 0.00 0.00 0.00 175.76 175.91 3m3r s PHE 84 N -0.73 2.28 0.04 0.00 0.08 -0.05 -0.91 117.98 118.68 3m3r s PHE 84 Ca -0.08 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.28 3m3r s PHE 84 Cb -0.03 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 3m3r s PHE 84 CO 0.06 -0.23 -0.07 0.15 -0.10 0.00 0.00 175.22 175.03 3m3r s LYS 85 N -0.05 0.51 -0.02 0.44 1.02 -0.71 -0.54 119.74 120.39 3m3r s LYS 85 Ca -0.05 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.17 3m3r s LYS 85 Cb -0.14 -0.22 0.03 0.00 -0.52 0.00 0.00 37.83 36.97 3m3r s LYS 85 CO 0.04 0.03 0.02 0.08 -0.92 0.00 0.00 175.35 174.60 3m3r s VAL 86 N -1.50 0.02 0.02 3.17 1.01 -0.96 -0.19 120.40 121.97 3m3r s VAL 86 Ca -0.10 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3m3r s VAL 86 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 3m3r s VAL 86 CO -0.00 0.10 -0.03 -1.10 0.00 0.00 0.00 175.10 174.07 3m3r s GLN 87 N 0.97 0.29 -0.04 2.72 -0.21 -0.36 -1.03 119.66 122.00 3m3r s GLN 87 Ca -0.09 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 54.77 3m3r s GLN 87 Cb -0.12 0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.99 3m3r s GLN 87 CO -0.02 -0.05 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.47 3m3r s LEU 88 N -1.34 1.80 -0.03 2.90 1.02 -0.66 -0.20 118.68 122.17 3m3r s LEU 88 Ca -0.15 -0.26 -0.00 0.00 0.02 0.00 0.00 54.13 53.74 3m3r s LEU 88 Cb -0.09 -0.73 0.03 0.00 0.02 0.00 0.00 46.19 45.41 3m3r s LEU 88 CO -0.01 0.09 0.03 -1.58 0.02 0.00 0.00 176.35 174.90 3m3r s GLN 89 N 0.23 0.04 -0.18 1.70 0.74 0.02 -2.48 119.66 119.73 3m3r s GLN 89 Ca -0.05 0.19 -0.10 0.00 0.05 0.00 0.00 55.36 55.44 3m3r s GLN 89 Cb -0.11 -0.34 -0.05 0.00 1.10 0.00 0.00 33.01 33.61 3m3r s GLN 89 CO 0.01 -0.19 0.17 -0.51 -0.55 0.00 0.00 175.29 174.23 3m3r s LEU 90 N 1.22 4.25 0.80 3.68 1.43 0.01 -1.36 118.68 128.71 3m3r s LEU 90 Ca -0.07 0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 3m3r s LEU 90 Cb -0.13 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 44.00 3m3r s LEU 90 CO -0.03 0.20 1.07 -2.65 0.23 0.00 0.00 176.35 175.18 3m3r n PRO 91 N 3.26 0.23 0.28 1.29 -0.02 -1.26 -4.83 135.00 133.95 3m3r n PRO 91 Ca -0.16 0.15 0.14 0.00 -2.02 0.00 0.00 63.50 61.61 3m3r n PRO 91 Cb 0.52 -2.33 0.84 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.78 0.00 -0.55 2.55 5.19 -1.97 -2.22 116.42 118.63 3m3r h ASP 92 Ca -0.46 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.66 3m3r h ASP 92 Cb 1.31 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.65 3m3r h ASP 92 CO 0.45 0.06 0.36 -0.46 -3.12 0.00 0.00 179.24 176.53 3m3r n ASN 93 N -3.70 3.43 -4.78 6.45 2.04 -1.26 -4.88 115.26 112.55 3m3r n ASN 93 Ca -0.02 -2.89 -0.33 0.00 -0.44 0.00 0.00 54.58 50.89 3m3r n ASN 93 Cb 0.16 -0.69 -0.07 0.00 -2.53 0.00 0.00 39.78 36.65 3m3r n ASN 93 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 3m3r s GLU 94 N -1.85 3.05 0.05 -3.83 0.41 -0.84 -5.01 118.70 110.68 3m3r s GLU 94 Ca 0.32 -0.49 0.22 0.00 -0.41 0.00 0.00 54.97 54.61 3m3r s GLU 94 Cb 0.27 -2.85 -0.17 0.00 -1.78 0.00 0.00 34.13 29.60 3m3r s GLU 94 CO 0.06 0.65 0.76 1.55 -0.49 0.00 0.00 175.26 177.79 3m3r n VAL 95 N 1.20 0.19 -2.21 2.63 3.14 -1.26 -4.94 118.33 117.08 3m3r n VAL 95 Ca -0.13 -0.42 -0.34 0.00 -2.96 0.00 0.00 64.34 60.48 3m3r n VAL 95 Cb 0.53 0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 3m3r n VAL 95 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3m3r s ALA 96 N -3.38 2.70 0.16 1.55 0.00 -1.26 -4.83 121.76 116.70 3m3r s ALA 96 Ca -0.03 0.66 0.05 0.00 0.00 0.00 0.00 51.96 52.65 3m3r s ALA 96 Cb 0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3m3r s ALA 96 CO 0.86 -0.75 -0.11 -0.65 0.00 0.00 0.00 175.76 175.10 3m3r s GLN 97 N -3.52 1.11 -0.13 0.00 -0.21 -0.67 -4.93 119.66 111.30 3m3r s GLN 97 Ca 0.69 -1.46 -0.21 0.00 0.02 0.00 0.00 55.36 54.40 3m3r s GLN 97 Cb -0.20 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.03 3m3r s GLN 97 CO 0.29 0.11 0.63 0.42 -2.12 0.00 0.00 175.29 174.61 3m3r s ILE 98 N -3.15 5.07 -0.11 1.08 1.01 -0.68 -0.80 121.20 123.62 3m3r s ILE 98 Ca 0.17 1.24 0.03 0.00 0.00 0.00 0.00 60.65 62.09 3m3r s ILE 98 Cb 0.01 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 3m3r s ILE 98 CO 0.02 0.22 -0.07 -0.24 0.00 0.00 0.00 174.94 174.87 3m3r n SER 99 N 4.22 3.04 -3.71 3.58 2.88 -0.07 -4.66 113.62 118.90 3m3r n SER 99 Ca -0.03 -0.04 -0.10 0.00 -1.33 0.00 0.00 58.87 57.37 3m3r n SER 99 Cb 0.51 0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 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 -4.83 0.16 -0.08 -3.46 3.68 -1.20 -5.00 116.67 105.95 3m3r s ASP 100 Ca -0.12 -1.08 -0.30 0.00 2.13 0.00 0.00 52.55 53.17 3m3r s ASP 100 Cb 0.04 0.63 0.11 0.00 -1.45 0.00 0.00 42.92 42.25 3m3r s ASP 100 CO 0.29 -1.23 0.95 -0.72 0.13 0.00 0.00 175.17 174.58 3m3r s TYR 101 N -3.62 -0.34 -0.24 -5.34 1.13 -1.26 -0.75 117.35 106.92 3m3r s TYR 101 Ca 0.24 0.37 -0.26 0.00 -1.41 0.00 0.00 57.07 56.01 3m3r s TYR 101 Cb -0.01 0.50 0.07 0.00 -1.10 0.00 0.00 41.96 41.42 3m3r s TYR 101 CO 0.12 -0.45 0.72 -0.47 -2.51 0.00 0.00 175.55 172.96 3m3r s TYR 102 N -2.30 -0.77 0.97 -3.49 6.14 -0.28 -4.67 117.35 112.94 3m3r s TYR 102 Ca 0.03 1.83 -0.14 0.00 0.64 0.00 0.00 57.07 59.42 3m3r s TYR 102 Cb -0.01 0.29 0.18 0.00 0.42 0.00 0.00 41.96 42.84 3m3r s TYR 102 CO -0.04 -0.41 1.18 -1.25 0.64 0.00 0.00 175.55 175.67 3m3r s PRO 103 N 0.19 0.64 0.20 4.97 0.04 -1.26 -0.55 135.00 139.23 3m3r s PRO 103 Ca -0.01 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.07 3m3r s PRO 103 Cb -0.04 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 3m3r s PRO 103 CO 0.02 -2.49 0.03 0.54 0.04 0.00 0.00 177.00 175.14 3m3r n ARG 104 N -3.92 1.16 -2.84 4.56 1.74 -1.26 -4.73 116.66 111.37 3m3r n ARG 104 Ca 0.10 -1.58 -0.40 0.00 -0.77 0.00 0.00 57.85 55.19 3m3r n ARG 104 Cb 0.59 0.61 -0.05 0.00 -1.02 0.00 0.00 32.46 32.60 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 -2.18 7.41 0.06 0.55 0.01 -1.26 -4.72 114.94 114.81 3m3r s ASN 105 Ca 0.04 1.68 0.02 0.00 -0.71 0.00 0.00 52.86 53.89 3m3r s ASN 105 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 3m3r s ASN 105 CO 0.03 0.01 0.11 -0.44 -1.51 0.00 0.00 177.10 175.30 3m3r s SER 106 N -0.26 5.72 -0.25 -1.22 0.01 -1.26 -5.06 113.70 111.37 3m3r s SER 106 Ca 0.42 0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.46 3m3r s SER 106 Cb -0.23 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.42 3m3r s SER 106 CO 0.27 0.19 1.05 -0.63 0.41 0.00 0.00 173.24 174.53 3m3r s ILE 107 N -1.39 4.64 0.67 1.44 1.01 -1.26 -5.01 121.20 121.30 3m3r s ILE 107 Ca 0.30 1.95 -0.15 0.00 0.00 0.00 0.00 60.65 62.75 3m3r s ILE 107 Cb -0.12 -4.34 0.01 0.00 0.01 0.00 0.00 42.46 38.02 3m3r s ILE 107 CO 0.22 -0.26 1.11 -1.81 0.00 0.00 0.00 174.94 174.20 3m3r s ASP 108 N 1.32 5.02 0.25 3.58 1.11 -1.26 -5.07 116.67 121.62 3m3r s ASP 108 Ca 0.44 2.00 0.01 0.00 0.18 0.00 0.00 52.55 55.19 3m3r s ASP 108 Cb -0.14 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.25 3m3r s ASP 108 CO 0.08 -1.69 0.09 0.42 1.18 0.00 0.00 175.17 175.25 3m3r s THR 109 N -2.37 0.54 0.08 -1.27 -4.23 -1.26 -5.17 115.64 101.97 3m3r s THR 109 Ca 0.67 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 3m3r s THR 109 Cb -0.21 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.07 3m3r s THR 109 CO 0.43 -0.05 0.32 -1.59 -0.54 0.00 0.00 174.62 173.19 3m3r s LYS 110 N -4.03 0.92 -0.07 3.99 -2.85 -1.26 -4.71 119.74 111.73 3m3r s LYS 110 Ca 0.37 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 3m3r s LYS 110 Cb 0.08 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 3m3r s LYS 110 CO 0.13 -0.32 -0.05 -1.21 0.10 0.00 0.00 175.35 173.99 3m3r s GLU 111 N -3.32 2.81 -0.05 1.78 2.02 0.14 -4.97 118.70 117.09 3m3r s GLU 111 Ca 0.00 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.52 3m3r s GLU 111 Cb 0.02 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 3m3r s GLU 111 CO -0.08 0.67 -0.17 -0.47 0.02 0.00 0.00 175.26 175.23 3m3r s TYR 112 N -0.82 1.74 -0.09 1.61 6.14 -1.26 -0.74 117.35 123.93 3m3r s TYR 112 Ca 0.13 -0.53 0.04 0.00 0.64 0.00 0.00 57.07 57.35 3m3r s TYR 112 Cb -0.11 -1.18 -0.01 0.00 0.42 0.00 0.00 41.96 41.08 3m3r s TYR 112 CO 0.02 -0.19 -0.21 -0.06 0.64 0.00 0.00 175.55 175.74 3m3r s PHE 113 N 0.11 2.58 -0.15 4.97 0.40 0.14 -4.96 117.98 121.07 3m3r s PHE 113 Ca -0.06 -0.78 -0.00 0.00 -0.60 0.00 0.00 56.93 55.49 3m3r s PHE 113 Cb -0.12 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.75 3m3r s PHE 113 CO 0.03 -0.26 -0.09 -1.12 0.70 0.00 0.00 175.22 174.48 3m3r s SER 114 N 0.08 2.73 -0.09 1.36 0.01 -1.26 -0.76 113.70 115.78 3m3r s SER 114 Ca -0.10 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.61 3m3r s SER 114 Cb -0.15 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.08 3m3r s SER 114 CO 0.06 -0.13 -0.13 -0.89 0.41 0.00 0.00 173.24 172.55 3m3r s THR 115 N 1.58 1.30 -0.05 1.44 2.01 0.17 -4.97 115.64 117.12 3m3r s THR 115 Ca 0.02 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.55 3m3r s THR 115 Cb -0.14 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3m3r s THR 115 CO -0.09 0.40 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.78 3m3r s LEU 116 N 0.89 2.06 -0.10 4.42 1.98 -1.26 0.55 118.68 127.22 3m3r s LEU 116 Ca -0.10 -0.50 -0.05 0.00 -2.89 0.00 0.00 54.13 50.60 3m3r s LEU 116 Cb -0.15 -1.34 0.05 0.00 0.66 0.00 0.00 46.19 45.40 3m3r s LEU 116 CO 0.01 0.25 0.23 -0.89 -1.89 0.00 0.00 176.35 174.06 3m3r s THR 117 N -0.22 -0.06 0.36 3.68 2.01 -0.85 -5.02 115.64 115.54 3m3r s THR 117 Ca -0.01 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.22 3m3r s THR 117 Cb -0.13 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 3m3r s THR 117 CO 0.03 0.07 0.37 -0.31 -0.69 0.00 0.00 174.62 174.08 3m3r s TYR 118 N 1.33 2.87 -0.28 4.92 1.51 -1.26 -2.12 117.35 124.32 3m3r s TYR 118 Ca -0.09 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.31 3m3r s TYR 118 Cb -0.11 -1.98 0.18 0.00 -0.11 0.00 0.00 41.96 39.95 3m3r s TYR 118 CO -0.08 0.02 1.36 0.20 -1.11 0.00 0.00 175.55 175.94 3m3r s GLY 119 N -4.09 0.02 0.05 0.71 0.00 -0.85 -4.96 107.32 98.20 3m3r s GLY 119 Ca 0.45 2.61 -0.02 0.00 0.00 0.00 0.00 44.72 47.76 3m3r s GLY 119 CO 0.28 0.99 -0.01 -0.11 0.00 0.00 0.00 173.10 174.26 3m3r s PHE 120 N -1.27 0.44 -0.18 1.90 -0.71 -1.26 -1.30 117.98 115.60 3m3r s PHE 120 Ca 0.09 -0.93 -0.14 0.00 -1.04 0.00 0.00 56.93 54.92 3m3r s PHE 120 Cb -0.01 -0.32 0.05 0.00 -1.21 0.00 0.00 43.02 41.53 3m3r s PHE 120 CO -0.07 -0.37 0.47 0.54 -1.34 0.00 0.00 175.22 174.46 3m3r s ASN 121 N -2.68 -0.55 0.02 1.98 4.22 -0.88 -5.00 114.94 112.04 3m3r s ASN 121 Ca 0.03 0.98 -0.03 0.00 -2.14 0.00 0.00 52.86 51.71 3m3r s ASN 121 Cb 0.05 0.93 -0.04 0.00 1.28 0.00 0.00 41.25 43.47 3m3r s ASN 121 CO -0.09 -0.18 0.21 -0.83 -2.04 0.00 0.00 177.10 174.17 3m3r s GLY 122 N 0.81 2.19 -0.05 0.45 0.00 -1.26 -2.58 107.32 106.88 3m3r s GLY 122 Ca -0.05 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 3m3r s GLY 122 CO -0.06 -0.64 0.17 0.21 0.00 0.00 0.00 173.10 172.77 3m3r s ASN 123 N -2.05 -0.15 -0.22 1.64 2.47 0.04 -4.96 114.94 111.70 3m3r s ASN 123 Ca 0.30 0.26 -0.04 0.00 0.42 0.00 0.00 52.86 53.79 3m3r s ASN 123 Cb -0.13 0.33 0.08 0.00 -1.45 0.00 0.00 41.25 40.08 3m3r s ASN 123 CO 0.21 -0.11 0.10 -0.69 -3.72 0.00 0.00 177.10 172.89 3m3r s VAL 124 N -0.15 -0.03 0.16 -5.21 1.01 -1.26 0.22 120.40 115.13 3m3r s VAL 124 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3m3r s VAL 124 Cb -0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3m3r s VAL 124 CO 0.00 -0.47 0.35 -0.89 0.00 0.00 0.00 175.10 174.09 3m3r s THR 125 N 2.10 5.24 -0.15 3.92 2.01 0.35 -4.90 115.64 124.20 3m3r s THR 125 Ca 0.05 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 3m3r s THR 125 Cb -0.16 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.76 3m3r s THR 125 CO -0.21 -0.08 0.88 -0.83 -0.69 0.00 0.00 174.62 173.70 3m3r s GLY 126 N -2.94 -0.37 0.51 4.40 0.00 -1.26 0.55 107.32 108.21 3m3r s GLY 126 Ca 0.38 1.91 0.03 0.00 0.00 0.00 0.00 44.72 47.04 3m3r s GLY 126 CO 0.28 1.19 0.11 0.51 0.00 0.00 0.00 173.10 175.19 3m3r s ASP 127 N -0.81 4.26 0.55 1.64 1.47 -0.89 -4.99 116.67 117.91 3m3r s ASP 127 Ca -0.04 -1.50 0.34 0.00 1.18 0.00 0.00 52.55 52.53 3m3r s ASP 127 Cb -0.01 0.37 1.40 0.00 -0.34 0.00 0.00 42.92 44.34 3m3r s ASP 127 CO 0.03 -0.87 2.00 -2.24 0.68 0.00 0.00 175.17 174.77 3m3r h ASP 128 N 1.24 0.00 -0.35 2.11 -0.00 -2.03 -2.95 116.42 114.44 3m3r h ASP 128 Ca -0.42 0.00 -0.19 0.00 -0.00 0.00 0.00 57.03 56.42 3m3r h ASP 128 Cb 1.30 0.00 -0.11 0.00 -0.00 0.00 0.00 39.33 40.53 3m3r h ASP 128 CO 0.70 0.02 0.24 0.35 -0.00 0.00 0.00 179.24 180.55 3m3r n THR 129 N -3.12 1.93 -0.89 1.15 -2.24 -1.26 -4.86 114.28 104.99 3m3r n THR 129 Ca 0.00 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3m3r n THR 129 Cb 0.30 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.07 0.12 3.69 3.38 0.00 -1.11 -4.97 105.19 106.37 3m3r n GLY 130 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.40 4.41 -0.06 1.61 2.20 -1.26 -4.91 119.74 120.33 3m3r s LYS 131 Ca 0.00 1.54 0.01 0.00 -0.36 0.00 0.00 55.97 57.16 3m3r s LYS 131 Cb 0.00 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 3m3r s LYS 131 CO 0.00 -0.34 -0.07 0.42 -0.36 0.00 0.00 175.35 175.00 3m3r s ILE 132 N 1.94 3.68 0.14 5.43 -1.09 -1.26 -2.09 121.20 127.95 3m3r s ILE 132 Ca 0.53 -0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 58.31 3m3r s ILE 132 Cb -0.22 -2.51 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 3m3r s ILE 132 CO 0.21 0.58 0.33 -0.83 -1.23 0.00 0.00 174.94 174.00 3m3r s GLY 133 N -0.87 0.10 0.27 6.18 0.00 0.19 -4.97 107.32 108.22 3m3r s GLY 133 Ca 0.13 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.38 3m3r s GLY 133 CO 0.02 -0.60 0.22 -0.32 0.00 0.00 0.00 173.10 172.41 3m3r s GLY 134 N -2.88 1.95 -0.29 0.20 0.00 -1.26 -0.50 107.32 104.53 3m3r s GLY 134 Ca 0.09 -1.91 -0.14 0.00 0.00 0.00 0.00 44.72 42.76 3m3r s GLY 134 CO -0.06 -1.44 0.76 -2.27 0.00 0.00 0.00 173.10 170.09 3m3r s LEU 135 N -3.28 -0.90 -0.30 0.66 2.96 0.13 -4.87 118.68 113.09 3m3r s LEU 135 Ca 0.40 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 55.66 3m3r s LEU 135 Cb 0.04 2.16 0.08 0.00 0.50 0.00 0.00 46.19 48.98 3m3r s LEU 135 CO 0.21 -0.20 0.00 -0.63 -1.32 0.00 0.00 176.35 174.41 3m3r s ILE 136 N 2.12 1.89 0.33 6.68 1.01 -1.26 -0.78 121.20 131.20 3m3r s ILE 136 Ca -0.08 -1.83 0.09 0.00 0.00 0.00 0.00 60.65 58.83 3m3r s ILE 136 Cb -0.07 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 3m3r s ILE 136 CO -0.19 -0.39 0.06 -0.83 0.00 0.00 0.00 174.94 173.60 3m3r s GLY 137 N 1.15 1.98 0.07 6.18 0.00 -1.07 -5.00 107.32 110.64 3m3r s GLY 137 Ca 0.03 -1.88 -0.00 0.00 0.00 0.00 0.00 44.72 42.87 3m3r s GLY 137 CO -0.10 -1.83 -0.04 0.00 0.00 0.00 0.00 173.10 171.14 3m3r s ALA 138 N -2.46 0.67 0.05 3.20 0.00 -1.26 -2.08 121.76 119.88 3m3r s ALA 138 Ca 0.36 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 3m3r s ALA 138 Cb -0.02 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.41 3m3r s ALA 138 CO 0.21 -0.33 0.45 0.54 0.00 0.00 0.00 175.76 176.63 3m3r s ASN 139 N -2.96 -0.34 -0.21 0.00 2.20 -0.42 -4.99 114.94 108.22 3m3r s ASN 139 Ca 0.09 0.05 -0.14 0.00 -0.94 0.00 0.00 52.86 51.92 3m3r s ASN 139 Cb 0.07 0.45 0.06 0.00 -2.00 0.00 0.00 41.25 39.84 3m3r s ASN 139 CO -0.08 -0.70 0.54 -0.69 -2.94 0.00 0.00 177.10 173.23 3m3r s VAL 140 N -2.54 -0.01 0.06 3.54 1.01 -1.26 -2.00 120.40 119.20 3m3r s VAL 140 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3m3r s VAL 140 Cb -0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3m3r s VAL 140 CO -0.03 0.01 -0.04 -0.94 0.00 0.00 0.00 175.10 174.10 3m3r s SER 141 N 1.11 0.68 -0.06 3.32 1.04 -0.90 -5.01 113.70 113.87 3m3r s SER 141 Ca -0.07 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.45 3m3r s SER 141 Cb -0.06 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.23 3m3r s SER 141 CO -0.10 -0.51 -0.08 -0.63 0.98 0.00 0.00 173.24 172.89 3m3r s ILE 142 N -3.45 0.85 0.02 -1.02 1.01 -1.26 -2.00 121.20 115.35 3m3r s ILE 142 Ca 0.05 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.45 3m3r s ILE 142 Cb 0.04 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 3m3r s ILE 142 CO -0.07 0.29 -0.15 -0.83 0.00 0.00 0.00 174.94 174.18 3m3r s GLY 143 N 0.82 0.81 -0.08 6.18 0.00 0.19 -4.97 107.32 110.27 3m3r s GLY 143 Ca -0.12 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.81 3m3r s GLY 143 CO 0.02 -0.73 -0.08 0.30 0.00 0.00 0.00 173.10 172.60 3m3r s HIS 144 N -0.67 1.28 -0.13 1.90 3.76 -1.26 0.46 115.29 120.63 3m3r s HIS 144 Ca 0.04 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.44 3m3r s HIS 144 Cb -0.07 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.59 3m3r s HIS 144 CO 0.01 -0.35 -0.19 0.99 -0.85 0.00 0.00 174.74 174.34 3m3r s THR 145 N 1.20 1.86 -0.23 1.30 2.01 0.06 -4.95 115.64 116.88 3m3r s THR 145 Ca -0.05 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 3m3r s THR 145 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 3m3r s THR 145 CO -0.02 0.51 0.09 -0.22 -0.69 0.00 0.00 174.62 174.29 3m3r s LEU 146 N 0.90 3.65 -0.05 4.42 2.96 -1.26 0.28 118.68 129.58 3m3r s LEU 146 Ca -0.06 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3m3r s LEU 146 Cb -0.15 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 3m3r s LEU 146 CO -0.02 0.03 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.11 3m3r s LYS 147 N 1.25 1.88 -0.03 1.98 2.20 0.08 -4.99 119.74 122.11 3m3r s LYS 147 Ca 0.05 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 3m3r s LYS 147 Cb -0.14 -1.61 0.08 0.00 -1.51 0.00 0.00 37.83 34.65 3m3r s LYS 147 CO 0.04 0.23 0.75 1.52 -0.36 0.00 0.00 175.35 177.53 3m3r s TYR 148 N 0.09 -0.55 0.18 4.03 1.13 -1.26 0.23 117.35 121.19 3m3r s TYR 148 Ca -0.05 0.80 -0.21 0.00 -1.41 0.00 0.00 57.07 56.20 3m3r s TYR 148 Cb -0.12 0.46 -0.08 0.00 -1.10 0.00 0.00 41.96 41.12 3m3r s TYR 148 CO 0.03 -0.59 0.70 0.08 -2.51 0.00 0.00 175.55 173.26 3m3r s VAL 149 N -1.80 4.57 -0.24 -3.49 1.01 -1.26 -5.07 120.40 114.12 3m3r s VAL 149 Ca -0.06 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 3m3r s VAL 149 Cb -0.00 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.52 3m3r s VAL 149 CO 0.02 0.34 0.00 -1.10 0.00 0.00 0.00 175.10 174.37 3m3r s GLN 150 N -1.63 1.20 0.45 2.72 -0.21 -1.26 -5.07 119.66 115.86 3m3r s GLN 150 Ca 0.39 -0.92 -0.21 0.00 0.02 0.00 0.00 55.36 54.63 3m3r s GLN 150 Cb -0.19 -2.40 -0.09 0.00 1.00 0.00 0.00 33.01 31.33 3m3r s GLN 150 CO 0.22 -0.70 1.02 -1.25 -2.12 0.00 0.00 175.29 172.45 3m3r s PRO 151 N 1.52 4.00 0.30 2.91 0.04 -1.26 -4.93 135.00 137.57 3m3r s PRO 151 Ca -0.01 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 3m3r s PRO 151 Cb -0.18 -2.23 0.44 0.00 0.04 0.00 0.00 34.50 32.57 3m3r s PRO 151 CO -0.10 -0.26 1.93 -0.44 0.04 0.00 0.00 177.00 178.17 3m3r h ASP 152 N 1.89 0.90 -4.30 6.66 3.45 -1.96 -3.38 116.42 119.67 3m3r h ASP 152 Ca -0.49 -0.06 -0.51 0.00 0.43 0.00 0.00 57.03 56.41 3m3r h ASP 152 Cb 1.21 -0.23 -0.23 0.00 -0.56 0.00 0.00 39.33 39.52 3m3r h ASP 152 CO 0.60 0.70 -0.81 -0.36 -1.57 0.00 0.00 179.24 177.80 3m3r s PHE 153 N -5.73 1.55 -0.09 4.55 0.08 -1.26 0.12 117.98 117.20 3m3r s PHE 153 Ca -0.11 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.54 3m3r s PHE 153 Cb 0.17 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 3m3r s PHE 153 CO 0.79 0.11 -0.07 0.15 -0.10 0.00 0.00 175.22 176.11 3m3r s LYS 154 N -1.56 2.95 -0.32 0.44 1.02 -0.22 -4.88 119.74 117.16 3m3r s LYS 154 Ca 0.04 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.36 3m3r s LYS 154 Cb -0.09 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3m3r s LYS 154 CO 0.03 0.56 0.21 0.99 -0.92 0.00 0.00 175.35 176.22 3m3r s THR 155 N -0.53 5.13 -0.06 2.17 2.01 -1.26 -1.16 115.64 121.93 3m3r s THR 155 Ca 0.08 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.95 3m3r s THR 155 Cb -0.12 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 3m3r s THR 155 CO 0.02 0.06 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.17 3m3r s ILE 156 N 1.71 1.83 -0.22 1.82 1.01 0.54 -4.90 121.20 122.99 3m3r s ILE 156 Ca 0.06 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.57 3m3r s ILE 156 Cb -0.17 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 3m3r s ILE 156 CO 0.10 0.51 0.70 -0.22 0.00 0.00 0.00 174.94 176.03 3m3r s LEU 157 N 0.05 4.12 0.36 2.97 2.96 -1.26 -0.63 118.68 127.25 3m3r s LEU 157 Ca -0.08 0.90 -0.21 0.00 -0.22 0.00 0.00 54.13 54.52 3m3r s LEU 157 Cb -0.14 -3.00 -0.10 0.00 0.50 0.00 0.00 46.19 43.45 3m3r s LEU 157 CO 0.04 -0.37 0.88 -1.61 -1.32 0.00 0.00 176.35 173.98 3m3r s GLU 158 N 2.29 4.29 -0.39 1.98 2.02 0.44 -4.81 118.70 124.50 3m3r s GLU 158 Ca 0.31 1.06 -0.41 0.00 0.02 0.00 0.00 54.97 55.95 3m3r s GLU 158 Cb -0.16 -2.47 -0.16 0.00 0.10 0.00 0.00 34.13 31.44 3m3r s GLU 158 CO 0.10 0.14 1.95 0.43 0.02 0.00 0.00 175.26 177.89 3m3r n SER 159 N -0.11 1.68 -4.83 -0.19 7.64 -1.26 -4.37 113.62 112.18 3m3r n SER 159 Ca 0.04 0.81 -0.23 0.00 1.01 0.00 0.00 58.87 60.50 3m3r n SER 159 Cb 0.52 -1.06 0.07 0.00 -1.01 0.00 0.00 64.21 62.73 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 4.87 2.09 0.00 1.43 0.04 -1.26 -4.84 135.00 137.33 3m3r s PRO 160 Ca 1.09 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.28 3m3r s PRO 160 Cb -1.20 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3m3r s PRO 160 CO 0.64 -1.13 0.00 0.25 0.04 0.00 0.00 177.00 176.80 3m3r n THR 161 N -2.66 0.00 1.26 1.26 -2.24 0.03 -4.99 114.28 106.94 3m3r n THR 161 Ca 0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3m3r n THR 161 Cb 0.60 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.31 1.42 0.00 3.42 5.75 -1.26 -3.92 116.55 119.65 3m3r n ASP 162 Ca 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 3m3r n ASP 162 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.20 2.97 -3.79 0.11 4.76 -1.26 -1.69 118.16 119.46 3m3r n LYS 163 Ca 0.13 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 3m3r n LYS 163 Cb 0.26 -0.65 -0.10 0.00 -1.84 0.00 0.00 35.03 32.71 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 -0.98 0.53 0.01 1.97 -2.85 -1.25 -0.81 119.74 116.37 3m3r s LYS 164 Ca 0.00 -0.10 -0.16 0.00 -1.00 0.00 0.00 55.97 54.71 3m3r s LYS 164 Cb 0.00 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 36.03 3m3r s LYS 164 CO 0.00 -0.13 0.34 0.54 0.10 0.00 0.00 175.35 176.20 3m3r s VAL 165 N -0.97 0.06 0.15 1.79 0.11 -1.03 -0.79 120.40 119.71 3m3r s VAL 165 Ca -0.10 -0.52 -0.24 0.00 -2.93 0.00 0.00 61.98 58.18 3m3r s VAL 165 Cb -0.05 -0.79 0.07 0.00 -1.53 0.00 0.00 36.38 34.07 3m3r s VAL 165 CO 0.03 -0.29 0.74 -0.83 -3.33 0.00 0.00 175.10 171.42 3m3r s GLY 166 N -1.67 -0.42 0.11 6.54 0.00 -1.26 -1.65 107.32 108.97 3m3r s GLY 166 Ca -0.09 0.39 0.05 0.00 0.00 0.00 0.00 44.72 45.07 3m3r s GLY 166 CO 0.01 0.12 -0.13 -0.98 0.00 0.00 0.00 173.10 172.12 3m3r s TRP 167 N -3.58 1.29 -0.04 1.90 0.51 -0.20 -0.42 118.94 118.40 3m3r s TRP 167 Ca 0.06 -0.57 -0.01 0.00 -2.12 0.00 0.00 56.10 53.46 3m3r s TRP 167 Cb -0.02 -0.69 0.03 0.00 -0.81 0.00 0.00 33.47 31.98 3m3r s TRP 167 CO -0.06 0.10 0.07 -1.59 -0.51 0.00 0.00 176.95 174.96 3m3r s LYS 168 N -2.57 -0.03 -0.45 4.98 -2.85 0.20 -2.26 119.74 116.78 3m3r s LYS 168 Ca 0.06 0.30 -0.09 0.00 -1.00 0.00 0.00 55.97 55.24 3m3r s LYS 168 Cb -0.05 -0.31 0.10 0.00 -2.06 0.00 0.00 37.83 35.51 3m3r s LYS 168 CO 0.02 -0.22 0.31 0.08 0.10 0.00 0.00 175.35 175.64 3m3r s VAL 169 N 1.49 4.25 0.01 1.79 1.01 0.30 -0.34 120.40 128.91 3m3r s VAL 169 Ca -0.04 -1.58 -0.00 0.00 0.00 0.00 0.00 61.98 60.35 3m3r s VAL 169 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3m3r s VAL 169 CO -0.04 -0.64 0.09 0.27 0.00 0.00 0.00 175.10 174.78 3m3r s ILE 170 N 1.40 4.77 0.21 2.22 -4.36 -0.31 -0.88 121.20 124.25 3m3r s ILE 170 Ca 0.04 -0.44 -0.31 0.00 -0.26 0.00 0.00 60.65 59.68 3m3r s ILE 170 Cb -0.25 -3.21 -0.10 0.00 1.25 0.00 0.00 42.46 40.16 3m3r s ILE 170 CO 0.01 0.31 1.51 0.12 0.24 0.00 0.00 174.94 177.13 3m3r s PHE 171 N -1.24 3.02 0.00 1.37 2.19 0.12 -1.06 117.98 122.38 3m3r s PHE 171 Ca 0.24 0.82 0.00 0.00 0.33 0.00 0.00 56.93 58.32 3m3r s PHE 171 Cb -0.12 -3.89 0.00 0.00 -1.31 0.00 0.00 43.02 37.70 3m3r s PHE 171 CO 0.16 -3.09 0.00 -1.71 1.83 0.00 0.00 175.22 172.40 3m3r n ASN 172 N 3.13 0.00 -3.71 6.13 5.15 0.12 -4.86 115.26 121.22 3m3r n ASN 172 Ca 0.10 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.99 3m3r n ASN 172 Cb 0.39 -0.02 -0.03 0.00 -0.53 0.00 0.00 39.78 39.59 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 -1.09 0.01 -0.11 1.20 2.20 -1.20 -4.54 114.94 111.40 3m3r s ASN 173 Ca 0.00 -0.95 -0.23 0.00 -0.94 0.00 0.00 52.86 50.74 3m3r s ASN 173 Cb 0.00 0.67 0.06 0.00 -2.00 0.00 0.00 41.25 39.98 3m3r s ASN 173 CO 0.00 -1.30 0.57 -0.32 -2.94 0.00 0.00 177.10 173.11 3m3r s MET 174 N -3.61 0.83 0.17 3.55 1.75 -0.02 -4.31 119.30 117.65 3m3r s MET 174 Ca 0.19 0.40 -0.30 0.00 -1.25 0.00 0.00 55.69 54.74 3m3r s MET 174 Cb -0.03 0.39 -0.07 0.00 2.84 0.00 0.00 34.83 37.96 3m3r s MET 174 CO 0.10 -0.20 0.98 0.08 -0.65 0.00 0.00 175.02 175.33 3m3r s VAL 175 N -0.60 4.23 -0.31 10.11 1.01 -1.26 -0.62 120.40 132.97 3m3r s VAL 175 Ca -0.07 1.99 0.04 0.00 0.00 0.00 0.00 61.98 63.94 3m3r s VAL 175 Cb -0.03 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.17 3m3r s VAL 175 CO 0.05 0.37 -0.01 0.21 0.00 0.00 0.00 175.10 175.72 3m3r s ASN 176 N -0.44 4.64 -1.45 3.32 3.84 -0.99 -4.78 114.94 119.09 3m3r s ASN 176 Ca 0.45 -1.86 -0.01 0.00 0.21 0.00 0.00 52.86 51.65 3m3r s ASN 176 Cb -0.25 -1.60 0.01 0.00 -0.55 0.00 0.00 41.25 38.86 3m3r s ASN 176 CO 0.32 -0.30 0.37 0.00 -2.79 0.00 0.00 177.10 174.69 3m3r n GLN 177 N 4.32 -2.90 -0.11 0.43 6.02 -1.26 -0.91 117.38 122.97 3m3r n GLN 177 Ca -0.03 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 3m3r n GLN 177 Cb 0.42 -4.41 0.00 0.00 1.02 0.00 0.00 30.24 27.27 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 -2.95 0.00 -2.26 1.08 5.03 -1.26 -5.01 115.26 109.89 3m3r n ASN 178 Ca -0.29 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.14 3m3r n ASN 178 Cb 0.68 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.44 3m3r n ASN 178 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3m3r n TRP 179 N -2.00 -3.00 -4.04 3.10 7.02 -0.09 -4.98 117.44 113.46 3m3r n TRP 179 Ca 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 3m3r n TRP 179 Cb 0.00 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.84 3m3r n TRP 179 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3m3r n GLY 180 N 4.36 0.20 3.77 6.99 0.00 -1.26 -2.34 105.19 116.90 3m3r n GLY 180 Ca 0.01 -0.97 -0.35 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 3.18 0.12 1.61 0.04 -1.26 -5.00 135.00 133.69 3m3r s PRO 181 Ca 0.00 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.77 3m3r s PRO 181 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3m3r s PRO 181 CO 0.00 -1.00 0.04 0.71 0.04 0.00 0.00 177.00 176.79 3m3r s TYR 182 N -1.74 3.04 0.00 0.56 2.02 0.21 -4.78 117.35 116.66 3m3r s TYR 182 Ca 0.74 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 3m3r s TYR 182 Cb -0.26 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 3m3r s TYR 182 CO 0.30 0.50 0.00 -0.40 -1.57 0.00 0.00 175.55 174.38 3m3r n ASP 183 N 0.23 0.81 0.19 2.29 3.85 -1.26 -0.84 116.55 121.82 3m3r n ASP 183 Ca -0.10 -0.94 0.14 0.00 -0.71 0.00 0.00 54.79 53.19 3m3r n ASP 183 Cb 0.53 0.00 0.62 0.00 -1.35 0.00 0.00 41.12 40.92 3m3r n ASP 183 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3m3r h ARG 184 N 0.00 0.00 -0.01 0.11 3.08 -1.94 -3.00 114.38 112.62 3m3r h ARG 184 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m3r h ARG 184 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3m3r h ARG 184 CO 0.00 0.00 -0.27 -0.25 -1.07 0.00 0.00 179.97 178.38 3m3r n ASP 185 N -2.49 1.33 -4.55 7.04 8.00 -1.26 -4.82 116.55 119.80 3m3r n ASP 185 Ca 0.01 -1.17 -0.47 0.00 0.71 0.00 0.00 54.79 53.87 3m3r n ASP 185 Cb 0.19 0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.26 0.89 -3.66 -2.24 7.64 -1.13 -4.97 113.62 109.88 3m3r n SER 186 Ca 0.05 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 61.01 3m3r n SER 186 Cb 0.26 -1.19 -0.08 0.00 -1.01 0.00 0.00 64.21 62.18 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 -0.64 -0.91 -0.08 1.43 -0.11 -1.26 -3.86 118.94 113.51 3m3r s TRP 187 Ca 0.67 1.74 0.02 0.00 1.22 0.00 0.00 56.10 59.74 3m3r s TRP 187 Cb -0.82 0.45 -0.02 0.00 -1.50 0.00 0.00 33.47 31.58 3m3r s TRP 187 CO 0.56 -0.50 -0.12 1.21 -4.62 0.00 0.00 176.95 173.48 3m3r s ASN 188 N 2.30 4.19 0.37 5.86 3.84 0.20 -4.92 114.94 126.78 3m3r s ASN 188 Ca -0.05 -0.19 0.09 0.00 0.21 0.00 0.00 52.86 52.92 3m3r s ASN 188 Cb -0.10 -1.14 0.84 0.00 -0.55 0.00 0.00 41.25 40.30 3m3r s ASN 188 CO -0.15 0.30 1.90 -0.65 -2.79 0.00 0.00 177.10 175.71 3m3r h PRO 189 N 5.71 0.64 0.00 0.43 0.11 -2.01 0.78 132.00 137.65 3m3r h PRO 189 Ca -0.41 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3m3r h PRO 189 Cb 1.17 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3m3r h PRO 189 CO 0.53 0.42 -0.37 0.28 -0.21 0.00 0.00 178.00 178.65 3m3r h VAL 190 N 0.65 0.86 -0.01 3.15 2.07 -1.97 -3.40 116.25 117.59 3m3r h VAL 190 Ca 0.40 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3m3r h VAL 190 Cb 0.63 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3m3r h VAL 190 CO -0.16 0.29 -0.62 -1.22 0.02 0.00 0.00 177.57 175.88 3m3r n TYR 191 N -4.61 0.00 -1.81 1.57 4.01 -1.21 -4.67 117.16 110.43 3m3r n TYR 191 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3m3r n TYR 191 Cb 0.37 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3m3r n TYR 191 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m3r n GLY 192 N 1.44 1.55 3.61 2.72 0.00 0.27 -0.10 105.19 114.68 3m3r n GLY 192 Ca 0.08 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 6.41 -0.12 1.61 3.84 0.11 0.61 114.94 123.39 3m3r s ASN 193 Ca 0.00 0.42 0.15 0.00 0.21 0.00 0.00 52.86 53.65 3m3r s ASN 193 Cb 0.00 -2.28 0.66 0.00 -0.55 0.00 0.00 41.25 39.08 3m3r s ASN 193 CO 0.00 -0.31 1.54 0.00 -2.79 0.00 0.00 177.10 175.54 3m3r n GLN 194 N 5.57 3.62 -0.37 0.43 6.02 -1.26 -3.86 117.38 127.53 3m3r n GLN 194 Ca -0.04 -2.57 -0.10 0.00 -0.01 0.00 0.00 57.00 54.28 3m3r n GLN 194 Cb 0.50 -1.89 -0.09 0.00 1.02 0.00 0.00 30.24 29.77 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 0.90 -0.93 -0.60 1.08 0.00 -1.26 -2.28 117.00 113.91 3m3r n LEU 195 Ca 0.23 1.58 0.07 0.00 0.00 0.00 0.00 56.01 57.89 3m3r n LEU 195 Cb 0.86 -0.21 0.20 0.00 0.00 0.00 0.00 43.42 44.26 3m3r n LEU 195 CO 0.23 -1.28 0.62 0.49 0.00 0.00 0.00 177.39 177.45 3m3r n PHE 196 N -5.06 0.52 -2.40 1.96 3.72 -1.26 -4.82 117.46 110.10 3m3r n PHE 196 Ca 0.02 -1.11 -0.43 0.00 -0.05 0.00 0.00 57.45 55.88 3m3r n PHE 196 Cb 0.23 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.96 4.12 -0.00 -1.08 -2.45 -0.97 0.89 119.30 116.85 3m3r s MET 197 Ca 0.38 1.54 -0.20 0.00 -1.25 0.00 0.00 55.69 56.16 3m3r s MET 197 Cb 0.33 -3.82 -0.11 0.00 1.25 0.00 0.00 34.83 32.48 3m3r s MET 197 CO 0.03 -0.86 0.91 -0.22 1.05 0.00 0.00 175.02 175.93 3m3r h LYS 198 N 8.67 -0.71 -6.16 4.11 3.64 -0.34 -3.43 116.57 122.35 3m3r h LYS 198 Ca -0.27 0.05 -0.57 0.00 -1.27 0.00 0.00 60.65 58.59 3m3r h LYS 198 Cb 1.10 0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 32.91 3m3r h LYS 198 CO 0.99 -0.47 -0.79 0.95 -2.27 0.00 0.00 179.45 177.86 3m3r s THR 199 N -4.01 2.06 -0.03 1.00 -4.23 -1.26 -4.97 115.64 104.20 3m3r s THR 199 Ca -0.11 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3m3r s THR 199 Cb 0.01 -1.99 -0.26 0.00 1.34 0.00 0.00 72.50 71.60 3m3r s THR 199 CO 0.32 -0.28 0.71 0.03 -0.54 0.00 0.00 174.62 174.87 3m3r h ARG 200 N 3.09 0.16 0.00 3.99 3.08 -1.92 -3.41 114.38 119.37 3m3r h ARG 200 Ca -0.43 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.34 3m3r h ARG 200 Cb 1.21 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3m3r h ARG 200 CO 0.52 0.94 -0.15 0.09 -1.07 0.00 0.00 179.97 180.30 3m3r n ASN 201 N -3.33 1.03 -4.44 7.04 4.13 -1.26 0.01 115.26 118.44 3m3r n ASN 201 Ca -0.19 -2.04 -0.35 0.00 1.68 0.00 0.00 54.58 53.68 3m3r n ASN 201 Cb 1.04 -0.17 0.09 0.00 -1.54 0.00 0.00 39.78 39.21 3m3r n ASN 201 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m3r n GLY 202 N -0.48 -1.75 0.09 7.41 0.00 -1.26 -4.95 105.19 104.24 3m3r n GLY 202 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 3m3r n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m3r n SER 203 N -0.78 0.63 -4.37 1.61 3.41 -1.26 -4.97 113.62 107.89 3m3r n SER 203 Ca 0.08 0.30 -0.32 0.00 -0.26 0.00 0.00 58.87 58.67 3m3r n SER 203 Cb 0.52 0.30 0.18 0.00 -0.26 0.00 0.00 64.21 64.95 3m3r n SER 203 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3m3r n MET 204 N -2.92 -1.46 -1.05 4.33 -0.00 -1.26 -4.95 117.12 109.81 3m3r n MET 204 Ca -0.19 -0.40 -0.31 0.00 -0.00 0.00 0.00 57.70 56.80 3m3r n MET 204 Cb 1.02 -1.86 0.13 0.00 -0.00 0.00 0.00 33.22 32.51 3m3r n MET 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 3m3r s LYS 205 N -3.74 1.61 0.26 3.17 -2.85 -1.26 -4.88 119.74 112.06 3m3r s LYS 205 Ca 0.59 1.23 -0.02 0.00 -1.00 0.00 0.00 55.97 56.77 3m3r s LYS 205 Cb -0.17 -1.82 0.42 0.00 -2.06 0.00 0.00 37.83 34.20 3m3r s LYS 205 CO 0.66 -2.11 1.86 0.00 0.10 0.00 0.00 175.35 175.86 3m3r h ALA 206 N -1.48 1.37 0.00 0.59 0.00 -1.23 -1.65 119.26 116.86 3m3r h ALA 206 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3m3r h ALA 206 Cb 1.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3m3r h ALA 206 CO 0.49 0.35 0.00 0.00 0.00 0.00 0.00 179.25 180.08 3m3r h ALA 207 N 1.46 1.00 -0.25 0.00 0.00 -1.86 -1.63 119.26 117.98 3m3r h ALA 207 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3m3r h ALA 207 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3m3r h ALA 207 CO -0.20 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 3m3r n ASP 208 N -2.74 3.06 -1.43 0.00 10.43 -0.63 -4.38 116.55 120.86 3m3r n ASP 208 Ca -0.01 -1.90 0.08 0.00 2.57 0.00 0.00 54.79 55.53 3m3r n ASP 208 Cb 0.14 -0.16 0.33 0.00 1.84 0.00 0.00 41.12 43.27 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 1.22 4.76 -4.85 -2.24 5.15 -0.61 -4.96 115.26 113.73 3m3r n ASN 209 Ca 0.15 -2.77 -0.35 0.00 -0.60 0.00 0.00 54.58 51.01 3m3r n ASN 209 Cb 0.53 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.14 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 -2.43 3.60 0.27 1.20 0.08 -1.26 0.35 117.98 119.79 3m3r s PHE 210 Ca 0.48 0.98 -0.30 0.00 0.12 0.00 0.00 56.93 58.21 3m3r s PHE 210 Cb 0.35 -2.30 -0.14 0.00 -0.57 0.00 0.00 43.02 40.36 3m3r s PHE 210 CO 0.16 0.46 1.26 -0.11 -0.10 0.00 0.00 175.22 176.89 3m3r n LEU 211 N 0.85 2.72 -4.69 -0.37 7.94 0.26 -4.55 117.00 119.15 3m3r n LEU 211 Ca -0.06 1.17 -0.42 0.00 -1.11 0.00 0.00 56.01 55.58 3m3r n LEU 211 Cb 0.52 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.06 3m3r n LEU 211 CO 0.42 -0.80 1.33 -0.62 -1.11 0.00 0.00 177.39 176.62 3m3r s ASP 212 N -0.09 6.59 0.44 1.96 -1.08 -1.26 -4.88 116.67 118.35 3m3r s ASP 212 Ca 0.63 2.52 0.18 0.00 -0.52 0.00 0.00 52.55 55.37 3m3r s ASP 212 Cb -0.67 -2.57 1.13 0.00 -1.46 0.00 0.00 42.92 39.35 3m3r s ASP 212 CO 0.55 -0.89 1.90 1.55 0.52 0.00 0.00 175.17 178.81 3m3r h PRO 213 N 8.22 0.33 0.00 4.34 0.13 -1.93 0.31 132.00 143.41 3m3r h PRO 213 Ca -0.43 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3m3r h PRO 213 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3m3r h PRO 213 CO 0.93 0.22 -0.02 -0.91 -0.23 0.00 0.00 178.00 177.99 3m3r h ASN 214 N 0.34 0.00 -0.61 1.44 2.35 -1.95 -1.19 115.58 115.96 3m3r h ASN 214 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3m3r h ASN 214 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3m3r h ASN 214 CO -0.12 0.02 0.00 0.29 -1.65 0.00 0.00 177.43 175.97 3m3r n LYS 215 N -3.26 2.43 -4.44 0.81 5.02 0.11 -4.93 118.16 113.90 3m3r n LYS 215 Ca -0.02 -2.22 -0.22 0.00 -2.02 0.00 0.00 58.31 53.83 3m3r n LYS 215 Cb 0.16 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.19 2.39 -0.08 7.82 0.00 -0.45 -4.74 121.76 125.51 3m3r s ALA 216 Ca 0.41 -1.81 -0.38 0.00 0.00 0.00 0.00 51.96 50.18 3m3r s ALA 216 Cb 0.22 0.76 -0.16 0.00 0.00 0.00 0.00 23.12 23.93 3m3r s ALA 216 CO 0.28 -0.34 1.53 0.45 0.00 0.00 0.00 175.76 177.68 3m3r n SER 217 N -0.81 2.02 0.26 0.00 2.88 -1.26 -4.82 113.62 111.89 3m3r n SER 217 Ca -0.03 1.10 0.17 0.00 -1.33 0.00 0.00 58.87 58.78 3m3r n SER 217 Cb 0.66 -1.17 0.90 0.00 -0.75 0.00 0.00 64.21 63.84 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 5.83 0.00 0.99 -3.46 4.64 -1.94 -0.74 113.55 118.86 3m3r h SER 218 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 3m3r h SER 218 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3m3r h SER 218 CO 0.86 0.00 -0.30 -0.07 -0.87 0.00 0.00 176.83 176.45 3m3r h LEU 219 N 0.00 0.00 -1.05 5.97 4.07 -1.88 -1.97 115.31 120.46 3m3r h LEU 219 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3m3r h LEU 219 Cb 0.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 3m3r h LEU 219 CO 0.00 0.30 0.09 -0.07 -1.08 0.00 0.00 178.44 177.67 3m3r h LEU 220 N 0.00 0.72 0.00 1.67 3.38 -1.45 -3.19 115.31 116.44 3m3r h LEU 220 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3m3r h LEU 220 Cb 0.87 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3m3r h LEU 220 CO 0.04 0.73 0.00 -1.54 0.09 0.00 0.00 178.44 177.76 3m3r n SER 221 N -4.27 0.00 -0.28 -0.43 3.41 -1.17 -2.20 113.62 108.69 3m3r n SER 221 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.63 3m3r n SER 221 Cb 0.24 -0.23 0.11 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.76 -4.81 4.04 0.02 -1.62 0.37 113.55 112.31 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 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3m3r h SER 222 CO 0.00 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.81 3m3r n GLY 223 N -1.31 1.38 3.44 -3.77 0.00 -0.80 -3.32 105.19 100.80 3m3r n GLY 223 Ca 0.10 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.26 2.73 -0.38 1.61 5.36 -0.61 -4.24 117.98 121.18 3m3r s PHE 224 Ca 0.00 -0.32 -0.06 0.00 -0.96 0.00 0.00 56.93 55.59 3m3r s PHE 224 Cb 0.00 -1.69 0.07 0.00 -0.34 0.00 0.00 43.02 41.06 3m3r s PHE 224 CO 0.00 0.06 0.16 -1.12 -1.46 0.00 0.00 175.22 172.86 3m3r s SER 225 N -0.39 5.34 0.51 6.13 0.01 -1.26 -0.16 113.70 123.89 3m3r s SER 225 Ca 0.04 -1.50 -0.22 0.00 1.31 0.00 0.00 55.95 55.59 3m3r s SER 225 Cb -0.12 -1.87 -0.06 0.00 0.21 0.00 0.00 66.02 64.18 3m3r s SER 225 CO 0.02 -0.44 1.23 -2.84 0.41 0.00 0.00 173.24 171.62 3m3r s PRO 226 N 1.32 3.41 -0.43 12.44 0.02 -1.24 -4.95 135.00 145.57 3m3r s PRO 226 Ca 0.02 1.92 0.07 0.00 0.02 0.00 0.00 61.00 63.03 3m3r s PRO 226 Cb -0.22 -2.26 0.25 0.00 0.02 0.00 0.00 34.50 32.30 3m3r s PRO 226 CO 0.00 -0.88 0.71 -3.47 -0.33 0.00 0.00 177.00 173.03 3m3r n ASP 227 N -0.88 -1.22 -4.53 2.53 2.03 -1.22 -3.96 116.55 109.30 3m3r n ASP 227 Ca 0.10 -3.00 -0.31 0.00 0.52 0.00 0.00 54.79 52.10 3m3r n ASP 227 Cb 0.47 0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.36 2.70 -0.05 -0.67 2.99 -1.14 -4.69 117.98 116.76 3m3r s PHE 228 Ca 0.33 -0.17 0.05 0.00 0.00 0.00 0.00 56.93 57.15 3m3r s PHE 228 Cb 0.21 -1.49 -0.02 0.00 0.00 0.00 0.00 43.02 41.72 3m3r s PHE 228 CO -0.17 0.34 -0.20 0.00 -0.00 0.00 0.00 175.22 175.19 3m3r s ALA 229 N -1.03 2.39 -0.08 5.36 0.00 0.29 -0.95 121.76 127.73 3m3r s ALA 229 Ca 0.17 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3m3r s ALA 229 Cb -0.11 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.23 3m3r s ALA 229 CO 0.08 0.49 -0.15 0.99 0.00 0.00 0.00 175.76 177.17 3m3r s THR 230 N -0.48 1.41 -0.17 0.00 2.01 0.02 -1.13 115.64 117.31 3m3r s THR 230 Ca 0.06 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 3m3r s THR 230 Cb -0.12 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 3m3r s THR 230 CO 0.01 0.42 0.05 -0.69 -0.69 0.00 0.00 174.62 173.72 3m3r s VAL 231 N 0.71 4.66 -0.08 3.82 1.01 0.07 -0.56 120.40 130.02 3m3r s VAL 231 Ca -0.13 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3m3r s VAL 231 Cb -0.16 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 3m3r s VAL 231 CO 0.03 0.48 -0.22 -0.63 0.00 0.00 0.00 175.10 174.76 3m3r s ILE 232 N 0.26 1.86 -0.01 2.22 1.01 -0.09 -0.89 121.20 125.57 3m3r s ILE 232 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3m3r s ILE 232 Cb -0.12 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3m3r s ILE 232 CO 0.01 0.52 0.04 0.42 0.00 0.00 0.00 174.94 175.92 3m3r s THR 233 N 0.24 4.44 -0.01 2.92 -4.23 0.02 -1.27 115.64 117.74 3m3r s THR 233 Ca -0.13 -0.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 3m3r s THR 233 Cb -0.16 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.69 3m3r s THR 233 CO 0.06 0.37 -0.02 -0.32 -0.54 0.00 0.00 174.62 174.17 3m3r s MET 234 N -1.61 0.30 -0.03 3.99 1.75 -0.36 -1.67 119.30 121.66 3m3r s MET 234 Ca 0.21 -0.06 -0.30 0.00 -1.25 0.00 0.00 55.69 54.29 3m3r s MET 234 Cb -0.12 -0.35 -0.03 0.00 2.84 0.00 0.00 34.83 37.17 3m3r s MET 234 CO 0.12 0.01 1.12 0.34 -0.65 0.00 0.00 175.02 175.95 3m3r s ASP 235 N 0.28 7.15 0.49 1.11 -1.08 -1.26 -1.00 116.67 122.37 3m3r s ASP 235 Ca -0.03 1.78 0.33 0.00 -0.52 0.00 0.00 52.55 54.11 3m3r s ASP 235 Cb -0.05 -2.56 1.62 0.00 -1.46 0.00 0.00 42.92 40.46 3m3r s ASP 235 CO -0.01 -0.47 2.00 0.03 0.52 0.00 0.00 175.17 177.24 3m3r h ARG 236 N 7.13 0.00 -0.07 4.34 3.08 -1.96 -2.54 114.38 124.35 3m3r h ARG 236 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3m3r h ARG 236 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3m3r h ARG 236 CO 0.84 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.37 3m3r n LYS 237 N -2.76 2.32 -1.80 0.04 5.02 -1.26 -4.96 118.16 114.76 3m3r n LYS 237 Ca -0.01 -1.96 -0.41 0.00 -2.02 0.00 0.00 58.31 53.91 3m3r n LYS 237 Cb 0.16 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 3m3r n LYS 237 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m3r s ALA 238 N -1.93 3.67 0.17 7.82 0.00 -0.96 -4.89 121.76 125.63 3m3r s ALA 238 Ca 0.29 1.57 -0.14 0.00 0.00 0.00 0.00 51.96 53.68 3m3r s ALA 238 Cb 0.20 -3.63 0.10 0.00 0.00 0.00 0.00 23.12 19.79 3m3r s ALA 238 CO 0.30 -1.01 1.80 1.03 0.00 0.00 0.00 175.76 177.88 3m3r h SER 239 N 4.06 0.44 -3.65 0.00 0.87 -1.93 -3.39 113.55 109.96 3m3r h SER 239 Ca -0.49 0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.43 3m3r h SER 239 Cb 1.23 -0.08 -0.16 0.00 -0.44 0.00 0.00 62.40 62.95 3m3r h SER 239 CO 0.73 0.31 -0.20 -0.75 -0.53 0.00 0.00 176.83 176.38 3m3r s LYS 240 N -6.14 3.61 -0.41 2.24 2.20 -1.26 -4.96 119.74 115.02 3m3r s LYS 240 Ca -0.13 -0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.23 3m3r s LYS 240 Cb 0.13 -3.80 0.64 0.00 -1.51 0.00 0.00 37.83 33.29 3m3r s LYS 240 CO 0.73 -0.55 1.81 1.04 -0.36 0.00 0.00 175.35 178.03 3m3r n GLN 241 N 5.50 2.27 -4.36 4.03 1.13 -1.26 -4.90 117.38 119.78 3m3r n GLN 241 Ca -0.08 -3.05 -0.22 0.00 -1.94 0.00 0.00 57.00 51.71 3m3r n GLN 241 Cb 0.49 -2.10 -0.16 0.00 0.11 0.00 0.00 30.24 28.58 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 -3.27 1.15 -0.02 -1.09 -0.21 -1.26 -1.73 119.66 113.23 3m3r s GLN 242 Ca 0.54 -0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.71 3m3r s GLN 242 Cb 0.46 -1.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.42 3m3r s GLN 242 CO 0.09 0.00 -0.16 0.99 -2.12 0.00 0.00 175.29 174.09 3m3r s THR 243 N 0.65 1.32 0.07 -0.19 2.01 0.30 -4.96 115.64 114.84 3m3r s THR 243 Ca -0.11 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.21 3m3r s THR 243 Cb -0.14 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 3m3r s THR 243 CO 0.02 0.38 0.16 0.20 -0.69 0.00 0.00 174.62 174.68 3m3r s ASN 244 N -0.25 6.03 -0.11 3.53 0.01 -1.26 0.90 114.94 123.79 3m3r s ASN 244 Ca 0.03 0.16 -0.09 0.00 -0.71 0.00 0.00 52.86 52.26 3m3r s ASN 244 Cb -0.08 -1.77 0.03 0.00 0.41 0.00 0.00 41.25 39.84 3m3r s ASN 244 CO 0.00 0.17 0.28 -0.51 -1.51 0.00 0.00 177.10 175.53 3m3r s ILE 245 N -1.46 -0.01 -0.12 0.60 2.07 -0.21 -4.23 121.20 117.85 3m3r s ILE 245 Ca 0.32 0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.56 3m3r s ILE 245 Cb -0.13 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 3m3r s ILE 245 CO 0.25 0.02 0.03 -1.81 -1.91 0.00 0.00 174.94 171.52 3m3r s ASP 246 N 0.48 5.43 -0.12 4.50 1.11 -0.46 0.03 116.67 127.64 3m3r s ASP 246 Ca -0.03 0.14 0.02 0.00 0.18 0.00 0.00 52.55 52.87 3m3r s ASP 246 Cb -0.04 -1.71 -0.00 0.00 1.07 0.00 0.00 42.92 42.24 3m3r s ASP 246 CO -0.03 0.31 -0.20 -0.69 1.18 0.00 0.00 175.17 175.74 3m3r s VAL 247 N -0.46 2.37 -0.13 -1.27 1.01 0.18 -0.80 120.40 121.31 3m3r s VAL 247 Ca 0.09 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3m3r s VAL 247 Cb -0.12 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3m3r s VAL 247 CO 0.02 0.54 -0.21 -0.63 0.00 0.00 0.00 175.10 174.82 3m3r s ILE 248 N 0.49 1.97 -0.13 2.22 1.09 0.72 -1.39 121.20 126.18 3m3r s ILE 248 Ca -0.13 -0.93 -0.05 0.00 -1.10 0.00 0.00 60.65 58.44 3m3r s ILE 248 Cb -0.17 -1.75 -0.04 0.00 -1.06 0.00 0.00 42.46 39.45 3m3r s ILE 248 CO 0.05 0.53 0.04 -0.31 -0.10 0.00 0.00 174.94 175.16 3m3r s TYR 249 N 0.77 3.26 0.08 3.97 4.12 0.31 -1.23 117.35 128.63 3m3r s TYR 249 Ca -0.09 0.17 0.01 0.00 0.02 0.00 0.00 57.07 57.19 3m3r s TYR 249 Cb -0.16 -1.92 -0.04 0.00 -1.52 0.00 0.00 41.96 38.32 3m3r s TYR 249 CO -0.00 0.37 -0.06 -2.00 0.02 0.00 0.00 175.55 173.88 3m3r s GLU 250 N -0.39 0.74 -0.03 -0.62 2.12 0.73 -0.39 118.70 120.86 3m3r s GLU 250 Ca 0.09 -1.22 -0.01 0.00 0.36 0.00 0.00 54.97 54.18 3m3r s GLU 250 Cb -0.12 -0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.17 3m3r s GLU 250 CO 0.02 -0.03 0.04 0.50 -0.54 0.00 0.00 175.26 175.25 3m3r s ARG 251 N -3.52 -0.01 -0.27 4.30 3.52 -0.08 -1.73 118.95 121.17 3m3r s ARG 251 Ca 0.08 0.28 -0.07 0.00 -0.13 0.00 0.00 55.73 55.89 3m3r s ARG 251 Cb 0.04 -0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 32.99 3m3r s ARG 251 CO -0.05 -0.25 0.06 0.08 -0.81 0.00 0.00 175.30 174.32 3m3r s VAL 252 N 1.67 4.00 0.01 7.11 1.01 -0.09 -0.76 120.40 133.35 3m3r s VAL 252 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3m3r s VAL 252 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3m3r s VAL 252 CO -0.03 0.24 0.05 -0.13 0.00 0.00 0.00 175.10 175.22 3m3r s ARG 253 N 1.54 2.91 0.42 2.72 0.52 -0.48 0.62 118.95 127.20 3m3r s ARG 253 Ca 0.05 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 3m3r s ARG 253 Cb -0.16 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 3m3r s ARG 253 CO 0.02 0.62 0.43 -0.51 0.02 0.00 0.00 175.30 175.88 3m3r s ASP 254 N -1.80 5.23 -0.31 0.23 1.11 0.20 -1.12 116.67 120.20 3m3r s ASP 254 Ca 0.23 -0.65 0.03 0.00 0.18 0.00 0.00 52.55 52.34 3m3r s ASP 254 Cb -0.12 -0.60 0.08 0.00 1.07 0.00 0.00 42.92 43.35 3m3r s ASP 254 CO 0.14 -0.68 -0.00 -0.62 1.18 0.00 0.00 175.17 175.19 3m3r s ASP 255 N -4.19 4.69 -0.28 0.27 2.15 -0.34 -2.22 116.67 116.75 3m3r s ASP 255 Ca 0.50 -1.84 -0.10 0.00 0.43 0.00 0.00 52.55 51.54 3m3r s ASP 255 Cb -0.05 -1.62 -0.04 0.00 -0.30 0.00 0.00 42.92 40.92 3m3r s ASP 255 CO 0.29 -0.32 0.15 -0.47 -0.17 0.00 0.00 175.17 174.65 3m3r s TYR 256 N 1.00 3.17 0.09 -5.34 6.14 0.18 -0.40 117.35 122.19 3m3r s TYR 256 Ca 0.03 -0.17 0.10 0.00 0.64 0.00 0.00 57.07 57.67 3m3r s TYR 256 Cb -0.20 -2.33 -0.04 0.00 0.42 0.00 0.00 41.96 39.81 3m3r s TYR 256 CO -0.06 -0.28 -0.26 -0.65 0.64 0.00 0.00 175.55 174.94 3m3r s GLN 257 N 1.69 1.61 0.08 4.97 -0.21 0.14 0.88 119.66 128.82 3m3r s GLN 257 Ca 0.06 -1.23 0.10 0.00 0.02 0.00 0.00 55.36 54.31 3m3r s GLN 257 Cb -0.16 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 3m3r s GLN 257 CO 0.08 0.48 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.97 3m3r s LEU 258 N -1.72 2.32 -0.12 2.90 1.43 0.55 -0.57 118.68 123.46 3m3r s LEU 258 Ca 0.13 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 3m3r s LEU 258 Cb -0.10 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.85 3m3r s LEU 258 CO 0.05 0.22 0.41 -1.38 0.23 0.00 0.00 176.35 175.88 3m3r s HIS 259 N -0.94 -0.41 -0.33 0.29 -3.43 -0.79 -1.52 115.29 108.14 3m3r s HIS 259 Ca 0.13 0.95 -0.21 0.00 -0.80 0.00 0.00 55.06 55.13 3m3r s HIS 259 Cb -0.10 0.16 -0.00 0.00 -1.43 0.00 0.00 32.58 31.21 3m3r s HIS 259 CO 0.05 -0.28 0.66 -0.46 -2.00 0.00 0.00 174.74 172.71 3m3r s TRP 260 N -0.19 3.17 -0.30 0.38 -0.11 -0.43 -1.54 118.94 119.93 3m3r s TRP 260 Ca -0.04 0.49 0.01 0.00 1.22 0.00 0.00 56.10 57.79 3m3r s TRP 260 Cb -0.03 -3.12 0.15 0.00 -1.50 0.00 0.00 33.47 28.97 3m3r s TRP 260 CO 0.02 -0.58 1.08 0.25 -4.62 0.00 0.00 176.95 173.10 3m3r n THR 261 N 5.53 1.24 0.00 5.86 -2.24 -0.02 -4.82 114.28 119.84 3m3r n THR 261 Ca -0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3m3r n THR 261 Cb 0.49 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 3m3r n THR 261 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3m3r n SER 262 N 0.14 0.00 -0.07 3.42 7.64 -1.26 -4.44 113.62 119.06 3m3r n SER 262 Ca 0.11 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.90 3m3r n SER 262 Cb 0.67 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 3m3r n SER 262 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3m3r n THR 263 N -1.01 0.77 -2.98 0.44 5.66 -1.26 -5.11 114.28 110.79 3m3r n THR 263 Ca 0.00 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 3m3r n THR 263 Cb 0.00 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.82 3m3r n THR 263 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3m3r n ASN 264 N -2.87 0.00 -4.81 1.09 6.94 -1.26 -4.93 115.26 109.43 3m3r n ASN 264 Ca -0.23 -0.91 -0.36 0.00 -0.02 0.00 0.00 54.58 53.05 3m3r n ASN 264 Cb 0.76 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 38.11 3m3r n ASN 264 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3m3r s TRP 265 N -8.01 3.54 -0.07 -2.53 0.52 0.10 -0.84 118.94 111.65 3m3r s TRP 265 Ca 0.00 0.54 0.02 0.00 0.02 0.00 0.00 56.10 56.68 3m3r s TRP 265 Cb 0.00 -2.11 0.01 0.00 -1.15 0.00 0.00 33.47 30.22 3m3r s TRP 265 CO 0.00 0.52 -0.12 0.21 0.02 0.00 0.00 176.95 177.58 3m3r s LYS 266 N -0.40 1.72 0.11 4.98 2.20 -0.59 -4.41 119.74 123.35 3m3r s LYS 266 Ca 0.14 -0.41 0.08 0.00 -0.36 0.00 0.00 55.97 55.43 3m3r s LYS 266 Cb -0.12 -1.45 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 3m3r s LYS 266 CO 0.04 -0.00 -0.14 0.20 -0.36 0.00 0.00 175.35 175.08 3m3r s GLY 267 N 0.77 1.74 0.03 5.54 0.00 0.86 -1.88 107.32 114.39 3m3r s GLY 267 Ca -0.12 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.31 3m3r s GLY 267 CO 0.02 -1.28 -0.07 -0.51 0.00 0.00 0.00 173.10 171.26 3m3r s THR 268 N -1.19 0.44 -0.08 0.90 -4.23 0.27 0.04 115.64 111.79 3m3r s THR 268 Ca 0.20 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 3m3r s THR 268 Cb -0.11 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.23 3m3r s THR 268 CO 0.12 -0.36 -0.17 0.21 -0.54 0.00 0.00 174.62 173.88 3m3r s ASN 269 N -1.42 2.28 -0.21 3.99 2.47 -1.26 0.28 114.94 121.07 3m3r s ASN 269 Ca -0.10 -0.40 -0.05 0.00 0.42 0.00 0.00 52.86 52.73 3m3r s ASN 269 Cb -0.09 -1.04 -0.02 0.00 -1.45 0.00 0.00 41.25 38.65 3m3r s ASN 269 CO 0.00 0.08 -0.00 -0.89 -3.72 0.00 0.00 177.10 172.57 3m3r s THR 270 N 0.52 3.82 0.38 -5.21 2.01 0.46 -4.95 115.64 112.67 3m3r s THR 270 Ca -0.16 -0.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 3m3r s THR 270 Cb -0.17 -2.74 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 3m3r s THR 270 CO 0.06 0.41 1.03 -0.54 -0.69 0.00 0.00 174.62 174.89 3m3r s LYS 271 N 1.22 4.28 -1.27 4.92 1.02 -1.26 -1.20 119.74 127.44 3m3r s LYS 271 Ca 0.03 1.50 -0.24 0.00 0.02 0.00 0.00 55.97 57.28 3m3r s LYS 271 Cb -0.15 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 3m3r s LYS 271 CO 0.01 -0.03 0.57 -0.25 -0.92 0.00 0.00 175.35 174.72 3m3r n ASP 272 N 0.13 -3.19 0.07 2.83 10.43 -1.25 -4.87 116.55 120.70 3m3r n ASP 272 Ca 0.04 -1.23 -0.16 0.00 2.57 0.00 0.00 54.79 56.01 3m3r n ASP 272 Cb 0.49 -2.07 -0.08 0.00 1.84 0.00 0.00 41.12 41.31 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 -2.31 0.48 -4.70 -1.24 3.11 -1.29 -3.46 116.57 107.15 3m3r h LYS 273 Ca -0.69 -0.56 -0.28 0.00 -2.81 0.00 0.00 60.65 56.31 3m3r h LYS 273 Cb 1.40 0.17 -0.19 0.00 -1.00 0.00 0.00 32.23 32.60 3m3r h LYS 273 CO 0.55 1.20 -0.73 -1.58 -2.81 0.00 0.00 179.45 176.08 3m3r s TRP 274 N -3.17 0.82 -0.07 1.91 0.51 -1.03 -5.02 118.94 112.88 3m3r s TRP 274 Ca -0.07 -0.61 -0.02 0.00 -2.12 0.00 0.00 56.10 53.28 3m3r s TRP 274 Cb 0.08 -0.47 0.03 0.00 -0.81 0.00 0.00 33.47 32.30 3m3r s TRP 274 CO 0.89 -0.08 0.03 0.99 -0.51 0.00 0.00 176.95 178.28 3m3r s THR 275 N -2.03 0.15 -0.35 2.01 2.01 -1.26 -1.39 115.64 114.77 3m3r s THR 275 Ca -0.02 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 3m3r s THR 275 Cb -0.06 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.06 3m3r s THR 275 CO -0.01 0.17 0.22 -1.81 -0.69 0.00 0.00 174.62 172.50 3m3r s ASP 276 N 2.06 5.84 -0.16 3.53 1.01 0.06 -4.96 116.67 124.06 3m3r s ASP 276 Ca 0.04 -0.69 -0.01 0.00 0.71 0.00 0.00 52.55 52.60 3m3r s ASP 276 Cb -0.13 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 3m3r s ASP 276 CO -0.05 -0.31 -0.12 -0.60 0.21 0.00 0.00 175.17 174.31 3m3r s ARG 277 N 1.64 3.35 -0.21 8.23 3.52 -1.26 -0.90 118.95 133.32 3m3r s ARG 277 Ca 0.04 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 3m3r s ARG 277 Cb -0.18 -2.72 0.04 0.00 -1.56 0.00 0.00 34.95 30.53 3m3r s ARG 277 CO 0.08 0.08 -0.12 0.45 -0.81 0.00 0.00 175.30 174.98 3m3r s SER 278 N 0.70 3.56 -0.02 -2.12 0.15 0.47 -4.99 113.70 111.45 3m3r s SER 278 Ca -0.06 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 55.68 3m3r s SER 278 Cb -0.15 -1.33 -0.03 0.00 -1.71 0.00 0.00 66.02 62.80 3m3r s SER 278 CO 0.02 -0.13 -0.11 -0.55 1.20 0.00 0.00 173.24 173.67 3m3r s SER 279 N 1.32 4.32 -0.01 5.45 0.15 -1.26 -0.53 113.70 123.15 3m3r s SER 279 Ca -0.02 -0.17 -0.00 0.00 0.70 0.00 0.00 55.95 56.46 3m3r s SER 279 Cb -0.16 -0.96 0.01 0.00 -1.71 0.00 0.00 66.02 63.20 3m3r s SER 279 CO -0.08 0.32 0.01 -0.70 1.20 0.00 0.00 173.24 173.99 3m3r s GLU 280 N -1.07 -0.01 -0.22 5.44 2.56 -0.48 -4.98 118.70 119.94 3m3r s GLU 280 Ca 0.14 0.07 -0.09 0.00 0.00 0.00 0.00 54.97 55.09 3m3r s GLU 280 Cb -0.11 -0.08 -0.04 0.00 2.00 0.00 0.00 34.13 35.90 3m3r s GLU 280 CO 0.04 -0.06 0.10 0.50 -0.56 0.00 0.00 175.26 175.28 3m3r s ARG 281 N 0.37 3.96 0.02 4.30 3.52 -1.26 -0.64 118.95 129.22 3m3r s ARG 281 Ca -0.03 -0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.28 3m3r s ARG 281 Cb -0.04 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3m3r s ARG 281 CO -0.01 0.11 -0.08 0.71 -0.81 0.00 0.00 175.30 175.23 3m3r s TYR 282 N 0.84 2.84 -0.22 5.12 2.02 0.10 -4.61 117.35 123.45 3m3r s TYR 282 Ca 0.05 -0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.61 3m3r s TYR 282 Cb -0.13 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 3m3r s TYR 282 CO 0.02 0.37 0.06 0.21 -1.57 0.00 0.00 175.55 174.64 3m3r s LYS 283 N -1.53 3.73 -0.26 -0.62 2.47 0.31 -1.04 119.74 122.80 3m3r s LYS 283 Ca 0.18 -0.45 -0.07 0.00 -1.56 0.00 0.00 55.97 54.06 3m3r s LYS 283 Cb -0.11 -3.25 -0.02 0.00 -1.46 0.00 0.00 37.83 32.99 3m3r s LYS 283 CO 0.08 -0.02 0.08 0.42 0.16 0.00 0.00 175.35 176.07 3m3r s ILE 284 N 1.16 4.30 -0.36 5.43 1.01 0.26 -1.57 121.20 131.42 3m3r s ILE 284 Ca 0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 3m3r s ILE 284 Cb -0.14 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.34 3m3r s ILE 284 CO 0.03 0.28 0.14 -0.62 0.00 0.00 0.00 174.94 174.77 3m3r s ASP 285 N 1.60 5.31 0.45 3.58 3.68 -0.69 -0.54 116.67 130.07 3m3r s ASP 285 Ca 0.06 -1.41 0.29 0.00 2.13 0.00 0.00 52.55 53.62 3m3r s ASP 285 Cb -0.15 -1.86 0.99 0.00 -1.45 0.00 0.00 42.92 40.44 3m3r s ASP 285 CO 0.04 -0.41 1.83 -0.50 0.13 0.00 0.00 175.17 176.26 3m3r h TRP 286 N 8.20 0.00 0.20 -5.34 4.06 -1.63 0.92 115.95 122.36 3m3r h TRP 286 Ca -0.21 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.41 3m3r h TRP 286 Cb 1.07 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.25 3m3r h TRP 286 CO 0.59 0.00 -1.57 0.93 -3.56 0.00 0.00 178.44 174.83 3m3r h GLU 287 N 0.00 0.42 0.00 0.49 5.08 -1.93 -3.32 114.58 115.32 3m3r h GLU 287 Ca 0.00 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 3m3r h GLU 287 Cb 0.63 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3m3r h GLU 287 CO 0.00 1.34 -0.72 1.63 -1.00 0.00 0.00 179.01 180.26 3m3r n LYS 288 N -3.71 0.22 -3.37 2.33 5.02 -1.22 -4.97 118.16 112.46 3m3r n LYS 288 Ca -0.22 0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 55.93 3m3r n LYS 288 Cb 1.05 -1.61 0.07 0.00 -0.02 0.00 0.00 35.03 34.52 3m3r n LYS 288 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3m3r n GLU 289 N -1.91 -3.12 -3.94 1.97 1.02 0.28 -5.03 120.64 109.91 3m3r n GLU 289 Ca 0.03 0.80 -0.09 0.00 -0.02 0.00 0.00 57.16 57.87 3m3r n GLU 289 Cb 0.41 -5.58 -0.10 0.00 -0.02 0.00 0.00 31.44 26.16 3m3r n GLU 289 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3m3r s GLU 290 N -4.89 0.52 -0.04 3.49 -1.05 -0.99 -4.86 118.70 110.88 3m3r s GLU 290 Ca 0.34 -0.70 0.06 0.00 -0.15 0.00 0.00 54.97 54.53 3m3r s GLU 290 Cb -0.06 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.82 3m3r s GLU 290 CO 0.76 -0.12 -0.21 1.41 0.95 0.00 0.00 175.26 178.05 3m3r s MET 291 N -2.27 1.98 0.15 -4.83 1.75 -1.26 -1.70 119.30 113.12 3m3r s MET 291 Ca -0.08 -0.76 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 3m3r s MET 291 Cb -0.03 -1.78 -0.04 0.00 2.84 0.00 0.00 34.83 35.81 3m3r s MET 291 CO -0.03 0.38 0.03 0.95 -0.65 0.00 0.00 175.02 175.69 3m3r s THR 292 N -0.25 0.35 0.00 10.11 -4.23 -0.61 -4.97 115.64 116.05 3m3r s THR 292 Ca 0.01 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3m3r s THR 292 Cb -0.11 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.67 3m3r s THR 292 CO 0.01 -0.48 0.00 -0.46 -0.54 0.00 0.00 174.62 173.15