#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1r s GLU 2 N 0.00 3.57 -0.30 0.03 0.41 -1.26 -0.66 118.70 120.48 2a1r s GLU 2 Ca 0.00 0.22 -0.03 0.00 -0.41 0.00 0.00 54.97 54.74 2a1r s GLU 2 Cb 0.00 -3.91 0.04 0.00 -1.78 0.00 0.00 34.13 28.48 2a1r s GLU 2 CO 0.00 -1.20 0.02 0.42 -0.49 0.00 0.00 175.26 174.02 2a1r s ILE 3 N 3.74 3.24 0.00 -1.63 1.01 0.32 -4.98 121.20 122.90 2a1r s ILE 3 Ca 0.37 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2a1r s ILE 3 Cb -0.10 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.55 2a1r s ILE 3 CO 0.26 -0.08 0.00 2.30 0.00 0.00 0.00 174.94 177.42 2a1r n ILE 4 N 4.69 0.00 -0.04 2.92 -5.35 -1.26 -1.90 119.36 118.43 2a1r n ILE 4 Ca -0.13 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 2a1r n ILE 4 Cb 0.44 -0.36 -0.07 0.00 -1.74 0.00 0.00 39.64 37.91 2a1r n ILE 4 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2a1r h ARG 5 N 0.00 0.20 0.00 6.28 2.43 -1.16 -0.22 114.38 121.91 2a1r h ARG 5 Ca 0.00 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2a1r h ARG 5 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2a1r h ARG 5 CO 0.00 0.52 -0.03 0.66 -1.51 0.00 0.00 179.97 179.61 2a1r h SER 6 N -0.14 0.00 0.17 -3.80 4.64 -1.95 -3.11 113.55 109.37 2a1r h SER 6 Ca 0.02 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.05 2a1r h SER 6 Cb 0.45 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 2a1r h SER 6 CO 0.01 0.03 -2.11 -3.20 -0.87 0.00 0.00 176.83 170.69 2a1r n ASN 7 N -3.39 0.26 -0.09 4.97 4.05 -1.09 -4.70 115.26 115.27 2a1r n ASN 7 Ca -0.02 0.12 -0.08 0.00 0.45 0.00 0.00 54.58 55.04 2a1r n ASN 7 Cb 0.15 0.82 -0.01 0.00 1.23 0.00 0.00 39.78 41.98 2a1r n ASN 7 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 2a1r h PHE 8 N 0.00 0.35 -0.30 1.20 3.57 -0.96 -2.81 116.94 118.00 2a1r h PHE 8 Ca -0.40 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.13 2a1r h PHE 8 Cb 1.99 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.60 2a1r h PHE 8 CO 0.00 0.21 0.16 -0.22 -2.23 0.00 0.00 178.31 176.23 2a1r h LYS 9 N 0.38 0.33 -0.03 1.11 1.63 -1.84 -2.17 116.57 115.99 2a1r h LYS 9 Ca 0.12 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.72 2a1r h LYS 9 Cb -0.01 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 2a1r h LYS 9 CO -0.05 0.22 -0.79 0.66 -3.45 0.00 0.00 179.45 176.03 2a1r h SER 10 N 0.34 0.34 0.49 4.20 4.64 -1.86 -3.12 113.55 118.58 2a1r h SER 10 Ca 0.12 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2a1r h SER 10 Cb 0.01 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2a1r h SER 10 CO -0.06 1.00 -0.02 0.59 -0.87 0.00 0.00 176.83 177.47 2a1r n ASN 11 N -3.75 0.07 -0.02 4.97 3.02 -1.07 -4.24 115.26 114.24 2a1r n ASN 11 Ca -0.04 -0.28 -0.04 0.00 -0.03 0.00 0.00 54.58 54.19 2a1r n ASN 11 Cb 0.75 -0.23 0.19 0.00 -0.61 0.00 0.00 39.78 39.88 2a1r n ASN 11 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2a1r h LEU 12 N 0.08 0.57 -1.11 3.41 5.85 -1.32 -2.58 115.31 120.22 2a1r h LEU 12 Ca 0.00 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 2a1r h LEU 12 Cb 0.27 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2a1r h LEU 12 CO 0.00 0.76 -0.41 1.12 -0.34 0.00 0.00 178.44 179.56 2a1r h HIS 13 N 0.52 0.00 -0.31 1.25 2.07 -1.80 -1.80 115.15 115.08 2a1r h HIS 13 Ca 0.09 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.49 2a1r h HIS 13 Cb 0.60 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.57 2a1r h HIS 13 CO 0.02 0.41 -0.30 0.87 -3.07 0.00 0.00 177.93 175.87 2a1r h LYS 14 N 0.00 0.66 -0.07 5.12 1.57 -1.73 -2.25 116.57 119.86 2a1r h LYS 14 Ca -0.00 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 2a1r h LYS 14 Cb 0.80 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2a1r h LYS 14 CO 0.05 0.88 -0.08 0.28 -0.57 0.00 0.00 179.45 180.02 2a1r h VAL 15 N 0.57 1.37 -0.80 0.50 2.07 -1.28 -1.40 116.25 117.28 2a1r h VAL 15 Ca 0.07 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.41 2a1r h VAL 15 Cb 0.80 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 2a1r h VAL 15 CO 0.07 0.35 0.48 1.88 0.02 0.00 0.00 177.57 180.36 2a1r h TYR 16 N -0.25 0.88 -0.52 1.57 0.99 -1.35 -0.67 116.97 117.62 2a1r h TYR 16 Ca 0.01 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.64 2a1r h TYR 16 Cb 0.60 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 38.04 2a1r h TYR 16 CO 0.09 0.42 -0.16 0.37 -0.00 0.00 0.00 178.16 178.88 2a1r h GLN 17 N 0.86 1.02 -0.53 4.88 4.15 -1.34 -1.13 115.11 123.02 2a1r h GLN 17 Ca 0.36 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2a1r h GLN 17 Cb 0.22 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2a1r h GLN 17 CO -0.19 1.10 0.29 0.00 -1.93 0.00 0.00 178.83 178.10 2a1r h ALA 18 N 0.90 0.67 -0.76 3.38 0.00 -0.72 -1.60 119.26 121.13 2a1r h ALA 18 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2a1r h ALA 18 Cb 0.74 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2a1r h ALA 18 CO 0.06 0.19 0.48 0.82 0.00 0.00 0.00 179.25 180.80 2a1r h ILE 19 N 0.71 1.21 -0.22 0.00 2.04 -0.93 -2.75 117.51 117.56 2a1r h ILE 19 Ca 0.19 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2a1r h ILE 19 Cb 0.04 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2a1r h ILE 19 CO -0.03 0.21 -0.23 -0.08 0.00 0.00 0.00 178.15 178.01 2a1r h GLU 20 N 1.04 0.55 0.00 2.37 4.81 -0.74 -3.13 114.58 119.48 2a1r h GLU 20 Ca 0.28 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2a1r h GLU 20 Cb -0.08 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2a1r h GLU 20 CO -0.06 0.88 0.00 0.39 -0.73 0.00 0.00 179.01 179.50 2a1r n GLU 21 N -4.39 0.21 -2.47 1.92 1.02 -0.64 -4.91 120.64 111.38 2a1r n GLU 21 Ca -0.05 0.35 -0.36 0.00 -0.02 0.00 0.00 57.16 57.07 2a1r n GLU 21 Cb 0.43 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 2a1r n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a1r s ALA 22 N -3.24 3.02 0.05 0.62 0.00 -1.04 -4.78 121.76 116.39 2a1r s ALA 22 Ca 0.07 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 2a1r s ALA 22 Cb 0.10 -3.30 -0.24 0.00 0.00 0.00 0.00 23.12 19.68 2a1r s ALA 22 CO 0.46 -0.34 1.15 -0.44 0.00 0.00 0.00 175.76 176.59 2a1r h ASP 23 N 2.24 0.80 -4.97 0.00 3.32 -1.28 -3.49 116.42 113.04 2a1r h ASP 23 Ca -0.49 -0.76 0.02 0.00 0.02 0.00 0.00 57.03 55.82 2a1r h ASP 23 Cb 1.22 -0.24 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 2a1r h ASP 23 CO 0.61 1.46 0.26 0.72 -1.72 0.00 0.00 179.24 180.56 2a1r s PHE 24 N -3.23 -0.44 0.24 4.55 -0.12 -1.21 -4.36 117.98 113.42 2a1r s PHE 24 Ca -0.11 0.18 0.09 0.00 -0.05 0.00 0.00 56.93 57.04 2a1r s PHE 24 Cb 0.06 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.99 2a1r s PHE 24 CO 0.89 -0.89 -0.15 -0.59 -0.05 0.00 0.00 175.22 174.44 2a1r s PHE 25 N -3.69 1.94 0.10 3.49 -0.12 -0.72 -1.99 117.98 116.98 2a1r s PHE 25 Ca 0.04 -0.52 0.09 0.00 -0.05 0.00 0.00 56.93 56.49 2a1r s PHE 25 Cb -0.02 -0.92 -0.04 0.00 -0.63 0.00 0.00 43.02 41.42 2a1r s PHE 25 CO -0.08 0.46 -0.18 0.00 -0.05 0.00 0.00 175.22 175.37 2a1r s ALA 26 N -2.83 2.66 0.15 1.99 0.00 0.43 0.28 121.76 124.44 2a1r s ALA 26 Ca 0.26 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2a1r s ALA 26 Cb -0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2a1r s ALA 26 CO 0.10 0.59 -0.06 0.96 0.00 0.00 0.00 175.76 177.35 2a1r s ILE 27 N -1.09 0.93 -0.03 0.00 -4.36 0.22 -1.17 121.20 115.69 2a1r s ILE 27 Ca 0.17 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.26 2a1r s ILE 27 Cb -0.11 -1.93 0.10 0.00 1.25 0.00 0.00 42.46 41.77 2a1r s ILE 27 CO 0.09 -0.66 0.82 -0.62 0.24 0.00 0.00 174.94 174.81 2a1r s ASP 28 N -3.16 -0.47 0.01 4.36 2.15 -0.77 -4.56 116.67 114.23 2a1r s ASP 28 Ca 0.19 0.29 -0.03 0.00 0.43 0.00 0.00 52.55 53.43 2a1r s ASP 28 Cb 0.04 0.43 -0.01 0.00 -0.30 0.00 0.00 42.92 43.09 2a1r s ASP 28 CO 0.01 -0.59 0.04 -0.83 -0.17 0.00 0.00 175.17 173.63 2a1r s GLY 29 N -1.81 0.14 0.01 2.66 0.00 -1.26 0.02 107.32 107.08 2a1r s GLY 29 Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 44.26 2a1r s GLY 29 CO -0.02 -0.46 0.31 -0.54 0.00 0.00 0.00 173.10 172.40 2a1r s GLU 30 N -1.35 3.67 0.25 2.90 0.41 -0.15 -4.94 118.70 119.49 2a1r s GLU 30 Ca -0.15 0.07 0.12 0.00 -0.41 0.00 0.00 54.97 54.60 2a1r s GLU 30 Cb -0.08 -3.09 -0.05 0.00 -1.78 0.00 0.00 34.13 29.12 2a1r s GLU 30 CO 0.00 0.65 -0.19 -0.06 -0.49 0.00 0.00 175.26 175.17 2a1r s PHE 31 N -1.26 2.34 -0.63 1.61 2.99 -1.26 -2.02 117.98 119.76 2a1r s PHE 31 Ca 0.27 -0.33 0.21 0.00 0.00 0.00 0.00 56.93 57.08 2a1r s PHE 31 Cb -0.14 -1.06 0.88 0.00 0.00 0.00 0.00 43.02 42.70 2a1r s PHE 31 CO 0.15 0.64 1.64 -1.13 -0.00 0.00 0.00 175.22 176.52 2a1r n SER 32 N -0.36 0.48 0.00 1.36 3.41 0.12 -4.87 113.62 113.77 2a1r n SER 32 Ca -0.08 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2a1r n SER 32 Cb 0.59 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2a1r n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a1r n GLY 33 N 0.00 -1.62 0.65 5.00 0.00 -1.26 -0.65 105.19 107.30 2a1r n GLY 33 Ca 0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 2a1r n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2a1r n ILE 34 N 0.14 0.26 -3.85 -0.61 5.41 -1.26 -4.80 119.36 114.64 2a1r n ILE 34 Ca 0.00 -0.07 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 2a1r n ILE 34 Cb 0.00 -1.33 -0.14 0.00 -0.71 0.00 0.00 39.64 37.46 2a1r n ILE 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2a1r s SER 35 N -5.17 -0.06 0.00 4.38 0.15 -1.26 -4.28 113.70 107.46 2a1r s SER 35 Ca -0.06 0.12 0.28 0.00 0.70 0.00 0.00 55.95 56.98 2a1r s SER 35 Cb 0.02 0.12 1.01 0.00 -1.71 0.00 0.00 66.02 65.46 2a1r s SER 35 CO 0.09 -0.03 1.73 -0.90 1.20 0.00 0.00 173.24 175.33 2a1r n ASP 36 N 3.10 0.57 0.00 5.45 3.85 -0.67 -4.87 116.55 123.98 2a1r n ASP 36 Ca -0.13 -0.51 0.00 0.00 -0.71 0.00 0.00 54.79 53.44 2a1r n ASP 36 Cb 0.59 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.35 2a1r n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a1r n GLY 37 N 1.35 -0.83 3.76 6.12 0.00 -1.26 -5.14 105.19 109.17 2a1r n GLY 37 Ca 0.12 0.34 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 2a1r n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a1r s PRO 38 N 0.00 2.46 0.00 1.61 0.04 -1.26 -4.89 135.00 132.95 2a1r s PRO 38 Ca 0.00 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.50 2a1r s PRO 38 Cb 0.00 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.80 2a1r s PRO 38 CO 0.00 -1.52 1.06 -1.13 0.04 0.00 0.00 177.00 175.44 2a1r n SER 39 N -2.81 0.00 -1.51 6.66 3.41 -1.26 -4.83 113.62 113.28 2a1r n SER 39 Ca 0.11 0.42 -0.20 0.00 -0.26 0.00 0.00 58.87 58.93 2a1r n SER 39 Cb 0.52 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 2a1r n SER 39 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2a1r n VAL 40 N -1.43 0.00 0.00 -3.33 0.31 -1.26 -5.06 118.33 107.56 2a1r n VAL 40 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2a1r n VAL 40 Cb 0.04 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 2a1r n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a1r n GLY 46 N 0.51 4.35 2.77 2.92 0.00 -1.26 -5.07 105.19 109.41 2a1r n GLY 46 Ca 0.07 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2a1r n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2a1r n PHE 47 N -1.78 3.25 -3.99 1.61 7.35 -1.26 -4.88 117.46 117.76 2a1r n PHE 47 Ca 0.00 -2.90 -0.16 0.00 -0.76 0.00 0.00 57.45 53.63 2a1r n PHE 47 Cb 0.00 -2.29 -0.15 0.00 0.35 0.00 0.00 39.48 37.38 2a1r n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2a1r s ASP 48 N 2.16 0.41 0.94 -2.13 1.01 -1.26 -5.12 116.67 112.68 2a1r s ASP 48 Ca 0.44 -0.04 -0.11 0.00 0.71 0.00 0.00 52.55 53.55 2a1r s ASP 48 Cb 0.12 -0.15 0.15 0.00 1.01 0.00 0.00 42.92 44.06 2a1r s ASP 48 CO -0.05 -0.04 1.10 0.42 0.21 0.00 0.00 175.17 176.81 2a1r s THR 49 N 0.52 2.44 0.47 -1.27 -4.23 -1.26 -4.78 115.64 107.53 2a1r s THR 49 Ca -0.05 0.14 0.25 0.00 -1.18 0.00 0.00 61.69 60.85 2a1r s THR 49 Cb -0.08 -2.38 0.43 0.00 1.34 0.00 0.00 72.50 71.81 2a1r s THR 49 CO -0.01 -0.19 1.86 1.55 -0.54 0.00 0.00 174.62 177.30 2a1r h PRO 50 N -1.81 0.20 0.00 3.99 0.13 -2.00 -2.15 132.00 130.37 2a1r h PRO 50 Ca -0.49 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2a1r h PRO 50 Cb 1.28 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2a1r h PRO 50 CO 0.49 0.13 -0.86 1.49 -0.23 0.00 0.00 178.00 179.02 2a1r h GLU 51 N 0.21 0.00 0.00 0.86 4.81 -1.98 -2.65 114.58 115.83 2a1r h GLU 51 Ca 0.46 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.54 2a1r h GLU 51 Cb 1.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.84 2a1r h GLU 51 CO -0.11 0.86 -0.73 0.93 -0.73 0.00 0.00 179.01 179.23 2a1r h GLU 52 N 0.00 0.00 -0.23 1.92 5.08 -1.75 -2.70 114.58 116.90 2a1r h GLU 52 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2a1r h GLU 52 Cb 1.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 2a1r h GLU 52 CO 0.11 0.73 -0.34 0.00 -1.00 0.00 0.00 179.01 178.51 2a1r h ARG 53 N 0.00 0.64 -1.00 2.33 3.08 -1.43 -1.67 114.38 116.33 2a1r h ARG 53 Ca -0.01 -0.38 0.08 0.00 0.07 0.00 0.00 59.98 59.74 2a1r h ARG 53 Cb 1.31 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.33 2a1r h ARG 53 CO 0.09 0.99 0.64 -0.92 -1.07 0.00 0.00 179.97 179.70 2a1r h TYR 54 N 0.34 1.18 0.00 3.04 3.20 -1.49 0.33 116.97 123.57 2a1r h TYR 54 Ca 0.02 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 2a1r h TYR 54 Cb 0.93 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2a1r h TYR 54 CO 0.08 0.58 -0.53 1.96 -1.64 0.00 0.00 178.16 178.62 2a1r h GLN 55 N 1.13 0.00 0.02 1.82 4.20 -1.34 -0.80 115.11 120.14 2a1r h GLN 55 Ca 0.45 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.95 2a1r h GLN 55 Cb 0.24 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2a1r h GLN 55 CO -0.19 0.53 -0.94 0.87 -0.67 0.00 0.00 178.83 178.42 2a1r h LYS 56 N 0.00 0.09 -0.04 1.46 1.57 -0.78 -2.89 116.57 115.97 2a1r h LYS 56 Ca -0.01 -0.11 -0.23 0.00 -1.87 0.00 0.00 60.65 58.43 2a1r h LYS 56 Cb 1.09 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.44 2a1r h LYS 56 CO 0.07 0.96 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.92 2a1r h LEU 57 N 0.04 0.72 -1.13 2.94 4.07 -0.87 -2.62 115.31 118.45 2a1r h LEU 57 Ca -0.03 -0.54 -0.05 0.00 0.08 0.00 0.00 57.88 57.34 2a1r h LEU 57 Cb 1.63 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 43.14 2a1r h LEU 57 CO 0.13 1.33 -0.25 0.50 -1.08 0.00 0.00 178.44 179.08 2a1r h LYS 58 N 0.34 0.00 0.03 1.13 3.64 -1.18 -1.73 116.57 118.80 2a1r h LYS 58 Ca -0.08 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.09 2a1r h LYS 58 Cb 1.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.35 2a1r h LYS 58 CO 0.17 0.25 -1.10 -0.22 -2.27 0.00 0.00 179.45 176.27 2a1r h LYS 59 N 0.00 0.07 -0.00 1.90 1.63 -1.54 -3.32 116.57 115.30 2a1r h LYS 59 Ca -0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2a1r h LYS 59 Cb 0.75 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2a1r h LYS 59 CO 0.03 1.06 -0.68 0.72 -3.45 0.00 0.00 179.45 177.13 2a1r n HIS 60 N -4.30 0.00 0.00 1.91 8.25 -0.99 -4.48 115.22 115.61 2a1r n HIS 60 Ca -0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 2a1r n HIS 60 Cb 0.71 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2a1r n HIS 60 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2a1r n SER 61 N -1.15 3.83 -0.31 0.41 7.64 -0.66 -1.67 113.62 121.70 2a1r n SER 61 Ca 0.06 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.02 2a1r n SER 61 Cb 0.36 0.60 0.35 0.00 -1.01 0.00 0.00 64.21 64.51 2a1r n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2a1r n MET 62 N -1.36 1.41 0.11 1.43 2.81 -1.16 -2.97 117.12 117.38 2a1r n MET 62 Ca 0.00 -0.62 0.09 0.00 -1.81 0.00 0.00 57.70 55.37 2a1r n MET 62 Cb 0.16 -1.29 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 2a1r n MET 62 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2a1r h ASP 63 N 1.18 0.00 -4.25 7.83 3.32 -1.83 -3.46 116.42 119.21 2a1r h ASP 63 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2a1r h ASP 63 Cb 0.26 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.92 2a1r h ASP 63 CO 0.00 0.10 0.35 -0.36 -1.72 0.00 0.00 179.24 177.62 2a1r s PHE 64 N -3.27 2.65 -0.09 4.55 0.40 -1.16 -2.03 117.98 119.04 2a1r s PHE 64 Ca 0.00 1.54 -0.03 0.00 -0.60 0.00 0.00 56.93 57.85 2a1r s PHE 64 Cb 0.09 -3.10 -0.03 0.00 0.51 0.00 0.00 43.02 40.49 2a1r s PHE 64 CO 0.78 -1.67 0.04 -1.17 0.70 0.00 0.00 175.22 173.90 2a1r s LEU 65 N -5.27 3.77 -0.44 -0.37 2.96 -1.26 -4.87 118.68 113.20 2a1r s LEU 65 Ca 0.64 0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 54.56 2a1r s LEU 65 Cb -0.19 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2a1r s LEU 65 CO 0.47 0.38 0.58 -0.22 -1.32 0.00 0.00 176.35 176.24 2a1r s LEU 66 N -0.99 4.66 -0.00 -0.68 2.96 -1.26 0.16 118.68 123.52 2a1r s LEU 66 Ca 0.14 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2a1r s LEU 66 Cb -0.12 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 44.01 2a1r s LEU 66 CO 0.04 -0.73 1.02 2.22 -1.32 0.00 0.00 176.35 177.58 2a1r n PHE 67 N 6.06 0.04 -3.58 5.38 1.16 -0.86 -4.83 117.46 120.83 2a1r n PHE 67 Ca -0.04 -0.51 -0.15 0.00 -1.87 0.00 0.00 57.45 54.87 2a1r n PHE 67 Cb 0.47 -0.05 -0.13 0.00 -1.61 0.00 0.00 39.48 38.16 2a1r n PHE 67 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2a1r s GLN 68 N -1.05 0.16 -0.29 3.97 0.74 -1.22 -2.31 119.66 119.67 2a1r s GLN 68 Ca 0.03 0.50 -0.06 0.00 0.05 0.00 0.00 55.36 55.87 2a1r s GLN 68 Cb 0.02 -0.54 0.01 0.00 1.10 0.00 0.00 33.01 33.59 2a1r s GLN 68 CO 0.01 -0.45 0.07 0.12 -0.55 0.00 0.00 175.29 174.49 2a1r s PHE 69 N 2.37 3.13 -0.11 1.67 5.36 0.24 -0.97 117.98 129.68 2a1r s PHE 69 Ca 0.04 -0.98 -0.14 0.00 -0.96 0.00 0.00 56.93 54.90 2a1r s PHE 69 Cb -0.14 -2.23 -0.05 0.00 -0.34 0.00 0.00 43.02 40.26 2a1r s PHE 69 CO -0.10 -0.57 0.32 0.20 -1.46 0.00 0.00 175.22 173.61 2a1r s GLY 70 N 1.49 2.29 -0.09 13.12 0.00 0.10 -0.54 107.32 123.70 2a1r s GLY 70 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 44.72 44.36 2a1r s GLY 70 CO 0.02 0.29 -0.06 -2.27 0.00 0.00 0.00 173.10 171.08 2a1r s LEU 71 N -0.10 1.09 -0.10 0.66 2.96 -0.22 -1.85 118.68 121.12 2a1r s LEU 71 Ca 0.19 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2a1r s LEU 71 Cb -0.14 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.88 2a1r s LEU 71 CO 0.07 -0.11 -0.20 0.00 -1.32 0.00 0.00 176.35 174.79 2a1r s THR 73 N 0.59 4.10 -0.12 0.00 2.01 -0.13 -0.42 115.64 121.66 2a1r s THR 73 Ca -0.14 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.60 2a1r s THR 73 Cb -0.17 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.54 2a1r s THR 73 CO 0.04 0.49 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.89 2a1r s PHE 74 N 0.37 2.49 -0.13 4.92 0.40 -0.84 -1.81 117.98 123.38 2a1r s PHE 74 Ca -0.02 -1.19 -0.00 0.00 -0.60 0.00 0.00 56.93 55.11 2a1r s PHE 74 Cb -0.14 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.71 2a1r s PHE 74 CO 0.02 -0.54 -0.10 0.21 0.70 0.00 0.00 175.22 175.51 2a1r s LYS 75 N 0.75 1.84 -0.07 0.44 2.20 -0.27 -0.76 119.74 123.87 2a1r s LYS 75 Ca -0.09 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 2a1r s LYS 75 Cb -0.16 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.35 2a1r s LYS 75 CO 0.00 -0.25 1.05 -0.47 -0.36 0.00 0.00 175.35 175.32 2a1r s TYR 76 N 1.60 3.47 -0.39 4.03 5.04 -1.26 -0.60 117.35 129.25 2a1r s TYR 76 Ca 0.05 1.52 -0.16 0.00 -2.44 0.00 0.00 57.07 56.04 2a1r s TYR 76 Cb -0.13 -3.23 0.01 0.00 0.35 0.00 0.00 41.96 38.96 2a1r s TYR 76 CO -0.09 -0.45 0.38 0.34 -1.34 0.00 0.00 175.55 174.39 2a1r s ASP 77 N 1.16 6.17 0.17 4.32 -1.08 0.30 -4.97 116.67 122.74 2a1r s ASP 77 Ca 0.51 -0.52 -0.02 0.00 -0.52 0.00 0.00 52.55 52.01 2a1r s ASP 77 Cb -0.20 -2.20 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 2a1r s ASP 77 CO 0.21 -0.46 1.40 1.88 0.52 0.00 0.00 175.17 178.72 2a1r h TYR 78 N 8.60 0.53 -0.82 -5.34 -1.99 -1.95 -1.56 116.97 114.44 2a1r h TYR 78 Ca -0.28 -0.25 -0.43 0.00 2.00 0.00 0.00 58.73 59.77 2a1r h TYR 78 Cb 1.13 -0.08 -0.16 0.00 2.00 0.00 0.00 36.73 39.62 2a1r h TYR 78 CO 0.64 1.03 0.37 0.25 -0.00 0.00 0.00 178.16 180.45 2a1r n THR 79 N -3.80 3.13 -0.12 -2.88 -2.24 -1.26 -3.45 114.28 103.66 2a1r n THR 79 Ca -0.05 -2.48 0.00 0.00 -2.27 0.00 0.00 64.05 59.26 2a1r n THR 79 Cb 0.74 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2a1r n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2a1r n ASP 80 N 0.75 0.00 -3.65 3.42 2.03 -1.23 -5.05 116.55 112.82 2a1r n ASP 80 Ca 0.42 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.52 2a1r n ASP 80 Cb 0.58 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.02 2a1r n ASP 80 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2a1r n SER 81 N 0.00 -1.72 -3.77 1.67 3.41 -0.61 -5.00 113.62 107.61 2a1r n SER 81 Ca 0.00 -0.77 -0.13 0.00 -0.26 0.00 0.00 58.87 57.72 2a1r n SER 81 Cb 0.00 -4.30 -0.08 0.00 -0.26 0.00 0.00 64.21 59.57 2a1r n SER 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2a1r s LYS 82 N -5.90 0.69 0.15 4.33 -2.85 -1.09 -4.69 119.74 110.39 2a1r s LYS 82 Ca 0.06 -0.29 -0.18 0.00 -1.00 0.00 0.00 55.97 54.56 2a1r s LYS 82 Cb -0.03 0.30 -0.07 0.00 -2.06 0.00 0.00 37.83 35.97 2a1r s LYS 82 CO 0.79 -0.20 0.62 0.71 0.10 0.00 0.00 175.35 177.37 2a1r s TYR 83 N -1.66 3.70 -0.16 1.78 1.51 -0.41 -0.53 117.35 121.57 2a1r s TYR 83 Ca -0.11 1.25 -0.02 0.00 -1.01 0.00 0.00 57.07 57.18 2a1r s TYR 83 Cb -0.04 -2.50 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 2a1r s TYR 83 CO 0.02 0.46 -0.09 0.42 -1.11 0.00 0.00 175.55 175.25 2a1r s ILE 84 N -1.35 3.25 -0.04 2.71 1.01 0.23 -1.38 121.20 125.63 2a1r s ILE 84 Ca 0.36 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2a1r s ILE 84 Cb -0.17 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2a1r s ILE 84 CO 0.20 0.49 -0.13 0.42 0.00 0.00 0.00 174.94 175.92 2a1r s THR 85 N 0.72 3.16 -0.12 2.92 -4.23 -0.03 -1.11 115.64 116.95 2a1r s THR 85 Ca -0.04 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2a1r s THR 85 Cb -0.15 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.45 2a1r s THR 85 CO 0.02 0.56 -0.10 -0.54 -0.54 0.00 0.00 174.62 174.01 2a1r s LYS 86 N -0.84 1.83 0.06 3.99 1.02 -0.75 -1.58 119.74 123.47 2a1r s LYS 86 Ca 0.12 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.81 2a1r s LYS 86 Cb -0.11 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 2a1r s LYS 86 CO 0.01 -0.24 -0.18 -1.54 -0.92 0.00 0.00 175.35 172.48 2a1r s SER 87 N 1.57 3.80 0.06 2.83 1.04 -1.26 -0.95 113.70 120.79 2a1r s SER 87 Ca 0.04 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.07 2a1r s SER 87 Cb -0.13 -0.59 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 2a1r s SER 87 CO -0.09 0.24 -0.17 -0.36 0.98 0.00 0.00 173.24 173.85 2a1r s PHE 88 N -0.97 1.44 -0.24 5.02 0.40 0.17 -1.21 117.98 122.59 2a1r s PHE 88 Ca 0.15 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2a1r s PHE 88 Cb -0.10 -0.84 0.04 0.00 0.51 0.00 0.00 43.02 42.63 2a1r s PHE 88 CO 0.06 0.08 -0.12 -0.80 0.70 0.00 0.00 175.22 175.15 2a1r s ASN 89 N -1.41 4.05 -0.23 1.36 0.02 0.16 -1.06 114.94 117.84 2a1r s ASN 89 Ca 0.03 -1.02 -0.08 0.00 -1.02 0.00 0.00 52.86 50.77 2a1r s ASN 89 Cb -0.09 -1.57 -0.04 0.00 0.02 0.00 0.00 41.25 39.57 2a1r s ASN 89 CO 0.02 -0.12 0.09 -0.36 0.02 0.00 0.00 177.10 176.75 2a1r s PHE 90 N 1.23 3.16 -0.19 2.20 0.40 0.30 -0.52 117.98 124.56 2a1r s PHE 90 Ca -0.02 -0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 55.98 2a1r s PHE 90 Cb -0.17 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 2a1r s PHE 90 CO -0.07 -0.14 0.47 0.71 0.70 0.00 0.00 175.22 176.89 2a1r s TYR 91 N 1.19 3.39 0.05 0.36 1.51 -0.80 -0.59 117.35 122.47 2a1r s TYR 91 Ca 0.05 0.74 0.07 0.00 -1.01 0.00 0.00 57.07 56.92 2a1r s TYR 91 Cb -0.14 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.08 2a1r s TYR 91 CO 0.04 -0.03 -0.21 0.14 -1.11 0.00 0.00 175.55 174.38 2a1r s VAL 92 N 1.38 1.67 -0.15 0.71 -7.23 -0.98 -0.73 120.40 115.09 2a1r s VAL 92 Ca 0.23 -1.26 -0.10 0.00 -1.81 0.00 0.00 61.98 59.03 2a1r s VAL 92 Cb -0.15 -1.47 0.05 0.00 0.56 0.00 0.00 36.38 35.37 2a1r s VAL 92 CO 0.09 0.15 0.37 0.12 -0.31 0.00 0.00 175.10 175.52 2a1r s PHE 93 N -0.87 -0.48 -1.19 2.82 5.36 -0.39 -4.54 117.98 118.68 2a1r s PHE 93 Ca 0.07 1.09 -0.18 0.00 -0.96 0.00 0.00 56.93 56.95 2a1r s PHE 93 Cb -0.09 0.18 -0.03 0.00 -0.34 0.00 0.00 43.02 42.74 2a1r s PHE 93 CO 0.02 -0.27 2.02 -0.35 -1.46 0.00 0.00 175.22 175.18 2a1r n PRO 94 N 3.73 2.36 -2.39 10.12 -0.04 -1.26 -3.74 135.00 143.78 2a1r n PRO 94 Ca -0.20 -2.47 -0.43 0.00 -0.04 0.00 0.00 63.50 60.36 2a1r n PRO 94 Cb 0.56 -3.26 -0.02 0.00 -0.04 0.00 0.00 33.50 30.73 2a1r n PRO 94 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2a1r s LYS 95 N 4.29 4.26 0.29 0.54 2.20 -1.26 -4.77 119.74 125.29 2a1r s LYS 95 Ca 0.54 1.72 -0.29 0.00 -0.36 0.00 0.00 55.97 57.57 2a1r s LYS 95 Cb 0.11 -3.73 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 2a1r s LYS 95 CO 0.03 -0.66 1.32 -1.25 -0.36 0.00 0.00 175.35 174.43 2a1r s PRO 96 N 3.22 4.37 -0.06 4.03 0.04 -1.26 -4.79 135.00 140.54 2a1r s PRO 96 Ca 0.57 2.18 -0.15 0.00 0.04 0.00 0.00 61.00 63.63 2a1r s PRO 96 Cb -0.24 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 2a1r s PRO 96 CO 0.18 -0.21 0.63 0.35 0.04 0.00 0.00 177.00 177.98 2a1r h PHE 97 N 4.03 -0.30 -4.62 0.56 3.57 -1.91 -3.47 116.94 114.79 2a1r h PHE 97 Ca -0.48 -0.01 -0.40 0.00 3.53 0.00 0.00 57.97 60.62 2a1r h PHE 97 Cb 1.22 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.98 2a1r h PHE 97 CO 0.58 -0.02 -0.29 0.09 -2.23 0.00 0.00 178.31 176.44 2a1r n ASN 98 N -4.98 2.77 0.00 0.41 3.02 -1.26 -4.99 115.26 110.22 2a1r n ASN 98 Ca -0.06 -2.35 0.10 0.00 -0.03 0.00 0.00 54.58 52.24 2a1r n ASN 98 Cb 0.21 0.24 0.48 0.00 -0.61 0.00 0.00 39.78 40.10 2a1r n ASN 98 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2a1r n ARG 99 N -0.76 0.16 0.07 3.52 3.00 -1.26 -2.79 116.66 118.61 2a1r n ARG 99 Ca -0.12 0.12 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2a1r n ARG 99 Cb 0.39 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.21 2a1r n ARG 99 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2a1r h SER 100 N 0.00 0.29 -4.24 6.15 4.64 -1.99 -3.48 113.55 114.92 2a1r h SER 100 Ca 0.00 -0.36 -0.53 0.00 -0.47 0.00 0.00 61.79 60.44 2a1r h SER 100 Cb 0.26 -0.09 0.19 0.00 -0.31 0.00 0.00 62.40 62.45 2a1r h SER 100 CO 0.00 1.29 0.28 -0.44 -0.87 0.00 0.00 176.83 177.09 2a1r s SER 101 N -6.92 3.23 0.38 4.97 0.01 -1.12 -4.97 113.70 109.29 2a1r s SER 101 Ca -0.05 2.27 -0.26 0.00 1.31 0.00 0.00 55.95 59.22 2a1r s SER 101 Cb 0.08 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 2a1r s SER 101 CO 0.85 -2.90 1.15 -2.16 0.41 0.00 0.00 173.24 170.59 2a1r s PRO 102 N -4.42 4.16 -0.51 12.44 0.04 -1.26 -4.92 135.00 140.53 2a1r s PRO 102 Ca 0.70 1.81 -0.08 0.00 0.04 0.00 0.00 61.00 63.46 2a1r s PRO 102 Cb -0.25 -2.74 0.13 0.00 0.04 0.00 0.00 34.50 31.67 2a1r s PRO 102 CO 0.55 -0.22 0.38 0.34 0.04 0.00 0.00 177.00 178.08 2a1r s ASP 103 N -1.13 5.70 0.04 6.66 3.68 -1.26 -4.70 116.67 125.67 2a1r s ASP 103 Ca 0.55 -2.08 -0.31 0.00 2.13 0.00 0.00 52.55 52.85 2a1r s ASP 103 Cb -0.30 -2.00 -0.07 0.00 -1.45 0.00 0.00 42.92 39.10 2a1r s ASP 103 CO 0.38 -0.64 1.45 -0.69 0.13 0.00 0.00 175.17 175.80 2a1r s VAL 104 N 1.11 3.47 -0.29 1.11 1.01 -1.26 -5.01 120.40 120.54 2a1r s VAL 104 Ca 0.08 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 2a1r s VAL 104 Cb -0.24 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2a1r s VAL 104 CO -0.02 0.02 0.21 -0.54 0.00 0.00 0.00 175.10 174.77 2a1r s LYS 105 N 2.11 3.84 0.32 2.72 3.01 -1.26 -5.08 119.74 125.39 2a1r s LYS 105 Ca 0.66 -0.39 0.10 0.00 -1.01 0.00 0.00 55.97 55.33 2a1r s LYS 105 Cb -0.34 -3.70 -0.05 0.00 -1.01 0.00 0.00 37.83 32.73 2a1r s LYS 105 CO 0.29 -0.25 -0.05 -0.59 0.51 0.00 0.00 175.35 175.26 2a1r s PHE 106 N 1.76 2.50 -0.08 3.18 -0.12 -1.26 -4.99 117.98 118.96 2a1r s PHE 106 Ca 0.07 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.54 2a1r s PHE 106 Cb -0.16 -1.34 -0.03 0.00 -0.63 0.00 0.00 43.02 40.85 2a1r s PHE 106 CO 0.11 0.56 -0.01 0.08 -0.05 0.00 0.00 175.22 175.91 2a1r s VAL 107 N -2.51 4.24 0.05 -2.49 1.01 -0.86 -4.99 120.40 114.85 2a1r s VAL 107 Ca 0.33 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.13 2a1r s VAL 107 Cb -0.01 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2a1r s VAL 107 CO 0.18 0.60 -0.24 0.00 0.00 0.00 0.00 175.10 175.64 2a1r s GLN 109 N -1.37 3.00 0.33 0.00 0.74 0.17 -4.94 119.66 117.59 2a1r s GLN 109 Ca 0.13 -0.83 0.09 0.00 0.05 0.00 0.00 55.36 54.79 2a1r s GLN 109 Cb -0.10 -2.65 0.84 0.00 1.10 0.00 0.00 33.01 32.19 2a1r s GLN 109 CO 0.03 -0.23 1.78 0.77 -0.55 0.00 0.00 175.29 177.09 2a1r h SER 110 N 7.96 0.70 0.72 6.67 0.02 -1.99 -0.29 113.55 127.33 2a1r h SER 110 Ca -0.44 0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.44 2a1r h SER 110 Cb 1.14 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2a1r h SER 110 CO 0.63 0.22 -0.80 0.77 -1.14 0.00 0.00 176.83 176.50 2a1r h SER 111 N 0.66 0.07 -0.02 3.07 4.64 -1.95 -1.58 113.55 118.44 2a1r h SER 111 Ca 0.58 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.67 2a1r h SER 111 Cb 1.05 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2a1r h SER 111 CO -0.37 0.84 -0.69 0.28 -0.87 0.00 0.00 176.83 176.02 2a1r h SER 112 N 0.03 0.63 -0.72 4.97 0.02 -1.41 -1.41 113.55 115.67 2a1r h SER 112 Ca -0.02 -0.74 0.04 0.00 -0.84 0.00 0.00 61.79 60.24 2a1r h SER 112 Cb 1.40 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 2a1r h SER 112 CO 0.11 1.29 0.44 0.40 -1.14 0.00 0.00 176.83 177.92 2a1r h ILE 113 N 0.04 1.05 -0.55 3.27 5.03 -1.22 0.31 117.51 125.44 2a1r h ILE 113 Ca -0.08 -0.28 -0.03 0.00 -0.12 0.00 0.00 64.86 64.35 2a1r h ILE 113 Cb 1.38 0.15 -0.03 0.00 -3.03 0.00 0.00 36.82 35.29 2a1r h ILE 113 CO 0.14 0.15 0.23 -0.78 -0.68 0.00 0.00 178.15 177.21 2a1r h ASP 114 N 0.83 0.71 -0.09 1.72 3.58 -1.23 -0.36 116.42 121.58 2a1r h ASP 114 Ca 0.30 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 2a1r h ASP 114 Cb 0.09 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2a1r h ASP 114 CO -0.14 0.63 -0.29 0.15 -2.88 0.00 0.00 179.24 176.71 2a1r h PHE 115 N 0.78 0.47 -0.61 0.28 3.57 -0.54 -2.71 116.94 118.18 2a1r h PHE 115 Ca 0.19 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2a1r h PHE 115 Cb 0.13 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2a1r h PHE 115 CO 0.01 0.91 0.23 -0.07 -2.23 0.00 0.00 178.31 177.16 2a1r h LEU 116 N -0.11 0.82 -1.11 0.59 3.38 -0.75 -2.48 115.31 115.66 2a1r h LEU 116 Ca -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2a1r h LEU 116 Cb 0.92 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2a1r h LEU 116 CO 0.06 0.74 0.05 0.00 0.09 0.00 0.00 178.44 179.38 2a1r h ALA 117 N 1.38 1.27 0.00 1.53 0.00 -1.06 -2.17 119.26 120.21 2a1r h ALA 117 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a1r h ALA 117 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2a1r h ALA 117 CO -0.02 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.39 2a1r h SER 118 N 0.65 0.00 -0.41 0.00 4.64 -1.11 -2.04 113.55 115.28 2a1r h SER 118 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2a1r h SER 118 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2a1r h SER 118 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2a1r n GLN 119 N -2.79 2.27 -1.87 4.77 1.13 -0.96 -4.94 117.38 115.00 2a1r n GLN 119 Ca 0.03 -1.60 -0.07 0.00 -1.94 0.00 0.00 57.00 53.41 2a1r n GLN 119 Cb 0.37 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.23 2a1r n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a1r n GLY 120 N 1.00 0.32 3.77 1.08 0.00 -0.77 -4.72 105.19 105.88 2a1r n GLY 120 Ca 0.15 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 2a1r n GLY 120 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a1r s PHE 121 N -2.34 2.79 -0.48 1.61 5.36 -0.86 -4.99 117.98 119.07 2a1r s PHE 121 Ca 0.00 1.44 -0.10 0.00 -0.96 0.00 0.00 56.93 57.31 2a1r s PHE 121 Cb 0.00 -3.61 0.12 0.00 -0.34 0.00 0.00 43.02 39.19 2a1r s PHE 121 CO 0.00 -2.02 0.36 0.34 -1.46 0.00 0.00 175.22 172.44 2a1r s ASP 122 N -0.89 5.75 0.57 6.13 -1.08 -1.26 -4.79 116.67 121.10 2a1r s ASP 122 Ca 0.60 -1.91 0.33 0.00 -0.52 0.00 0.00 52.55 51.04 2a1r s ASP 122 Cb -0.36 -2.03 1.69 0.00 -1.46 0.00 0.00 42.92 40.75 2a1r s ASP 122 CO 0.46 -0.71 2.13 -0.26 0.52 0.00 0.00 175.17 177.31 2a1r h PHE 123 N 8.48 0.00 -0.01 -5.34 -1.00 -1.99 -2.34 116.94 114.74 2a1r h PHE 123 Ca -0.22 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.52 2a1r h PHE 123 Cb 1.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 2a1r h PHE 123 CO 0.65 0.06 -0.22 -0.91 -1.61 0.00 0.00 178.31 176.28 2a1r h ASN 124 N 0.00 0.02 0.41 2.17 2.35 -1.96 0.52 115.58 119.09 2a1r h ASN 124 Ca -0.00 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2a1r h ASN 124 Cb 0.28 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2a1r h ASN 124 CO 0.01 0.24 -0.13 0.11 -1.65 0.00 0.00 177.43 176.01 2a1r h LYS 125 N 0.02 0.00 0.00 0.81 1.57 -1.80 -0.58 116.57 116.59 2a1r h LYS 125 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a1r h LYS 125 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2a1r h LYS 125 CO 0.03 0.13 -0.57 0.28 -0.57 0.00 0.00 179.45 178.74 2a1r n VAL 126 N -3.63 1.43 0.26 0.50 0.31 -0.95 -2.15 118.33 114.10 2a1r n VAL 126 Ca -0.02 0.21 0.14 0.00 -0.01 0.00 0.00 64.34 64.66 2a1r n VAL 126 Cb 0.25 -2.39 0.34 0.00 -0.91 0.00 0.00 33.84 31.13 2a1r n VAL 126 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2a1r h PHE 127 N -1.00 0.00 0.00 3.52 0.05 -0.94 -2.27 116.94 116.30 2a1r h PHE 127 Ca -0.00 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.54 2a1r h PHE 127 Cb 0.57 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.48 2a1r h PHE 127 CO -0.25 0.00 -1.91 0.54 -0.18 0.00 0.00 178.31 176.52 2a1r n ARG 128 N -3.05 0.38 -0.39 1.51 1.74 -0.33 -4.81 116.66 111.71 2a1r n ARG 128 Ca 0.03 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.30 2a1r n ARG 128 Cb 0.45 -1.22 0.24 0.00 -1.02 0.00 0.00 32.46 30.91 2a1r n ARG 128 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2a1r n ASN 129 N -3.28 3.73 -4.77 0.55 3.02 -0.59 -5.03 115.26 108.90 2a1r n ASN 129 Ca -0.30 -2.53 -0.41 0.00 -0.03 0.00 0.00 54.58 51.31 2a1r n ASN 129 Cb 0.77 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 2a1r n ASN 129 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a1r s GLY 130 N -1.37 2.65 -0.03 7.41 0.00 -0.85 -0.72 107.32 114.41 2a1r s GLY 130 Ca 0.37 1.58 -0.30 0.00 0.00 0.00 0.00 44.72 46.37 2a1r s GLY 130 CO 0.14 2.37 1.24 -0.42 0.00 0.00 0.00 173.10 176.43 2a1r s ILE 131 N -0.72 4.11 0.89 0.90 1.01 0.10 -4.48 121.20 123.01 2a1r s ILE 131 Ca 0.57 1.47 -0.12 0.00 0.00 0.00 0.00 60.65 62.56 2a1r s ILE 131 Cb -0.47 -3.94 0.12 0.00 0.01 0.00 0.00 42.46 38.18 2a1r s ILE 131 CO 0.58 0.02 1.14 -2.16 0.00 0.00 0.00 174.94 174.51 2a1r s PRO 132 N 2.06 1.33 0.04 2.79 0.04 -1.25 -1.27 135.00 138.75 2a1r s PRO 132 Ca 0.58 0.32 -0.27 0.00 0.04 0.00 0.00 61.00 61.66 2a1r s PRO 132 Cb -0.27 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.49 2a1r s PRO 132 CO 0.24 -2.07 0.70 1.52 0.04 0.00 0.00 177.00 177.42 2a1r s TYR 133 N -3.29 -0.54 -0.01 0.56 -0.85 -1.25 -1.37 117.35 110.60 2a1r s TYR 133 Ca 0.63 0.61 0.04 0.00 -0.52 0.00 0.00 57.07 57.83 2a1r s TYR 133 Cb -0.14 0.50 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 2a1r s TYR 133 CO 0.53 -0.69 -0.12 -0.51 -1.52 0.00 0.00 175.55 173.25 2a1r s LEU 134 N -2.05 2.02 0.88 -3.49 1.43 -1.17 -4.90 118.68 111.40 2a1r s LEU 134 Ca -0.03 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 2a1r s LEU 134 Cb -0.01 -0.62 0.13 0.00 0.03 0.00 0.00 46.19 45.73 2a1r s LEU 134 CO -0.03 0.15 1.22 0.54 0.23 0.00 0.00 176.35 178.45 2a1r s ASN 135 N -0.27 3.84 0.19 2.29 2.20 -1.26 -4.75 114.94 117.19 2a1r s ASN 135 Ca 0.04 0.63 -0.19 0.00 -0.94 0.00 0.00 52.86 52.40 2a1r s ASN 135 Cb -0.05 -0.97 0.16 0.00 -2.00 0.00 0.00 41.25 38.39 2a1r s ASN 135 CO -0.00 -2.31 1.60 -0.61 -2.94 0.00 0.00 177.10 172.83 2a1r h GLN 136 N -1.34 -0.12 -0.14 3.55 5.75 -1.26 -1.32 115.11 120.22 2a1r h GLN 136 Ca -0.46 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.01 2a1r h GLN 136 Cb 1.30 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.87 2a1r h GLN 136 CO 0.55 -0.08 -0.06 1.49 -2.65 0.00 0.00 178.83 178.08 2a1r h GLU 137 N -0.12 0.29 -0.75 1.69 4.22 -1.94 -2.94 114.58 115.02 2a1r h GLU 137 Ca 0.25 -0.12 0.10 0.00 0.08 0.00 0.00 59.36 59.67 2a1r h GLU 137 Cb 0.53 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2a1r h GLU 137 CO -0.67 0.61 0.49 0.93 -2.18 0.00 0.00 179.01 178.20 2a1r h GLU 138 N -0.05 0.61 0.24 1.92 5.08 -1.81 0.93 114.58 121.50 2a1r h GLU 138 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2a1r h GLU 138 Cb 0.53 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2a1r h GLU 138 CO 0.02 0.40 -0.11 1.49 -1.00 0.00 0.00 179.01 179.81 2a1r h GLU 139 N 0.63 -0.31 -0.75 2.33 4.81 -1.25 -2.65 114.58 117.39 2a1r h GLU 139 Ca 0.35 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.69 2a1r h GLU 139 Cb 0.52 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 2a1r h GLU 139 CO -0.13 0.06 0.49 -0.09 -0.73 0.00 0.00 179.01 178.62 2a1r h ARG 140 N -0.84 0.66 -0.21 1.92 2.43 -1.29 -2.64 114.38 114.42 2a1r h ARG 140 Ca -0.03 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.93 2a1r h ARG 140 Cb 0.51 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2a1r h ARG 140 CO 0.05 0.44 -0.56 0.37 -1.51 0.00 0.00 179.97 178.76 2a1r h GLN 141 N 0.68 0.63 -1.78 0.20 4.15 -0.84 -3.06 115.11 115.10 2a1r h GLN 141 Ca 0.34 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2a1r h GLN 141 Cb 0.42 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2a1r h GLN 141 CO -0.12 1.02 0.00 1.28 -1.93 0.00 0.00 178.83 179.08 2a1r n LEU 142 N -3.97 4.68 -3.69 -2.39 4.32 -0.99 -5.09 117.00 109.88 2a1r n LEU 142 Ca -0.04 -2.14 -0.10 0.00 -0.02 0.00 0.00 56.01 53.71 2a1r n LEU 142 Cb 0.62 -0.96 -0.11 0.00 -1.62 0.00 0.00 43.42 41.35 2a1r n LEU 142 CO 0.48 0.87 0.03 -0.13 -1.22 0.00 0.00 177.39 177.42 2a1r s ARG 143 N 0.05 0.35 -0.07 3.23 0.52 -1.16 -5.04 118.95 116.82 2a1r s ARG 143 Ca 0.00 0.82 0.04 0.00 -0.52 0.00 0.00 55.73 56.07 2a1r s ARG 143 Cb 0.00 0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.43 2a1r s ARG 143 CO 0.00 -0.18 -0.01 1.58 0.02 0.00 0.00 175.30 176.71 2a1r n HIS 257 N 4.54 0.00 0.05 -0.53 -0.00 -1.26 -5.12 115.22 112.90 2a1r n HIS 257 Ca -0.20 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.85 2a1r n HIS 257 Cb 0.54 -0.34 -0.09 0.00 -0.12 0.00 0.00 29.99 29.98 2a1r n HIS 257 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2a1r h ALA 258 N 0.23 -0.13 0.00 1.57 0.00 -2.06 -2.86 119.26 116.02 2a1r h ALA 258 Ca -0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2a1r h ALA 258 Cb 1.39 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2a1r h ALA 258 CO -0.00 -0.42 -0.17 1.57 0.00 0.00 0.00 179.25 180.22 2a1r h LYS 259 N -0.42 0.00 -0.46 0.00 2.10 -2.06 -3.04 116.57 112.68 2a1r h LYS 259 Ca -0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 2a1r h LYS 259 Cb 0.35 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 2a1r h LYS 259 CO 0.02 0.17 -0.11 1.49 -2.00 0.00 0.00 179.45 179.03 2a1r h GLU 260 N 0.00 0.85 0.00 0.07 4.81 -2.00 -2.00 114.58 116.31 2a1r h GLU 260 Ca -0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2a1r h GLU 260 Cb 0.79 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2a1r h GLU 260 CO 0.02 0.91 -0.17 0.94 -0.73 0.00 0.00 179.01 179.98 2a1r n GLN 261 N -4.16 0.18 -0.05 1.92 -0.06 -1.08 -3.30 117.38 110.82 2a1r n GLN 261 Ca 0.01 0.11 -0.12 0.00 -2.00 0.00 0.00 57.00 55.01 2a1r n GLN 261 Cb 0.37 -1.68 -0.11 0.00 -4.06 0.00 0.00 30.24 24.77 2a1r n GLN 261 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2a1r h GLU 262 N 0.00 -0.02 -0.17 3.69 4.57 -1.37 -2.98 114.58 118.30 2a1r h GLU 262 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2a1r h GLU 262 Cb 0.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2a1r h GLU 262 CO 0.00 0.77 0.12 0.93 -1.18 0.00 0.00 179.01 179.65 2a1r h GLU 263 N -0.94 0.09 -0.16 1.92 5.08 -1.48 -0.36 114.58 118.73 2a1r h GLU 263 Ca -0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2a1r h GLU 263 Cb 0.79 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2a1r h GLU 263 CO 0.00 0.06 -0.35 1.25 -1.00 0.00 0.00 179.01 178.98 2a1r h LEU 264 N 0.10 0.59 0.00 1.33 5.85 -1.64 -2.60 115.31 118.93 2a1r h LEU 264 Ca 0.07 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2a1r h LEU 264 Cb 0.18 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2a1r h LEU 264 CO -0.01 1.04 -0.21 0.59 -0.34 0.00 0.00 178.44 179.51 2a1r n ASN 265 N -4.33 0.40 0.05 1.25 5.03 -0.99 -2.97 115.26 113.71 2a1r n ASN 265 Ca -0.06 0.29 0.12 0.00 0.87 0.00 0.00 54.58 55.79 2a1r n ASN 265 Cb 0.50 -0.29 0.17 0.00 -1.02 0.00 0.00 39.78 39.14 2a1r n ASN 265 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2a1r n ASP 266 N -1.77 0.67 0.07 6.41 9.92 -0.18 -4.15 116.55 127.54 2a1r n ASP 266 Ca 0.06 0.07 -0.05 0.00 -0.53 0.00 0.00 54.79 54.34 2a1r n ASP 266 Cb 0.37 0.22 -0.10 0.00 -0.64 0.00 0.00 41.12 40.98 2a1r n ASP 266 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a1r h ALA 267 N 2.54 0.41 -0.09 2.24 0.00 -1.35 -2.88 119.26 120.12 2a1r h ALA 267 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 2a1r h ALA 267 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2a1r h ALA 267 CO 0.00 1.15 -0.15 -0.24 0.00 0.00 0.00 179.25 180.00 2a1r h VAL 268 N 0.00 1.17 0.00 0.00 3.04 -1.72 -3.29 116.25 115.44 2a1r h VAL 268 Ca -0.01 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2a1r h VAL 268 Cb 1.71 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 2a1r h VAL 268 CO 0.12 0.23 0.00 0.61 -1.01 0.00 0.00 177.57 177.51 2a1r n GLY 269 N -0.91 3.08 0.31 3.17 0.00 -1.09 -2.36 105.19 107.39 2a1r n GLY 269 Ca -0.01 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.14 2a1r n GLY 269 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a1r h PHE 270 N 0.00 0.00 -0.61 1.61 3.57 -1.51 -0.93 116.94 119.07 2a1r h PHE 270 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 2a1r h PHE 270 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2a1r h PHE 270 CO 0.00 0.00 0.43 0.77 -2.23 0.00 0.00 178.31 177.28 2a1r h SER 271 N 0.00 0.08 -0.88 0.41 0.02 -1.73 0.73 113.55 112.18 2a1r h SER 271 Ca 0.04 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.16 2a1r h SER 271 Cb 0.24 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.67 2a1r h SER 271 CO -0.00 0.04 0.46 0.03 -1.14 0.00 0.00 176.83 176.22 2a1r h ARG 272 N 0.09 0.60 -0.53 3.45 3.08 -1.33 0.11 114.38 119.85 2a1r h ARG 272 Ca 0.29 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.20 2a1r h ARG 272 Cb 1.04 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 2a1r h ARG 272 CO -0.03 0.39 -0.09 0.28 -1.07 0.00 0.00 179.97 179.46 2a1r h VAL 273 N 0.61 1.27 -0.32 2.04 2.07 -1.03 -2.50 116.25 118.39 2a1r h VAL 273 Ca 0.50 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2a1r h VAL 273 Cb 0.76 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2a1r h VAL 273 CO -0.39 0.43 -0.14 0.40 0.02 0.00 0.00 177.57 177.89 2a1r h ILE 274 N 0.86 1.24 -0.40 4.57 1.08 -1.16 -2.76 117.51 120.95 2a1r h ILE 274 Ca 0.14 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.52 2a1r h ILE 274 Cb 0.65 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 2a1r h ILE 274 CO 0.04 0.36 0.24 0.45 -0.69 0.00 0.00 178.15 178.55 2a1r h HIS 275 N 0.51 0.54 -0.72 1.37 3.86 -0.59 -2.29 115.15 117.83 2a1r h HIS 275 Ca 0.09 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2a1r h HIS 275 Cb 0.54 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 2a1r h HIS 275 CO 0.02 0.38 0.30 0.00 0.86 0.00 0.00 177.93 179.50 2a1r h ALA 276 N 1.11 1.18 0.20 2.45 0.00 -1.19 -1.45 119.26 121.56 2a1r h ALA 276 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2a1r h ALA 276 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2a1r h ALA 276 CO -0.03 0.60 -0.09 0.82 0.00 0.00 0.00 179.25 180.55 2a1r h ILE 277 N 1.03 0.88 -0.68 0.00 2.04 -1.34 -1.27 117.51 118.18 2a1r h ILE 277 Ca 0.24 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.80 2a1r h ILE 277 Cb 0.17 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2a1r h ILE 277 CO -0.02 0.09 0.34 0.00 0.00 0.00 0.00 178.15 178.56 2a1r h ALA 278 N 0.31 0.92 0.00 1.87 0.00 -1.23 -1.79 119.26 119.33 2a1r h ALA 278 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2a1r h ALA 278 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2a1r h ALA 278 CO 0.04 -0.03 0.00 -0.91 0.00 0.00 0.00 179.25 178.35 2a1r h ASN 279 N 0.60 0.00 0.23 0.00 2.35 -1.24 -3.08 115.58 114.45 2a1r h ASN 279 Ca 0.32 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 2a1r h ASN 279 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2a1r h ASN 279 CO -0.24 0.00 -0.26 0.77 -1.65 0.00 0.00 177.43 176.05 2a1r h SER 280 N 0.00 0.05 0.00 5.81 4.64 -0.31 -3.46 113.55 120.29 2a1r h SER 280 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2a1r h SER 280 Cb 0.80 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2a1r h SER 280 CO 0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 2a1r n GLY 281 N -0.74 1.50 3.10 -0.77 0.00 -1.17 -4.97 105.19 102.15 2a1r n GLY 281 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2a1r n GLY 281 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a1r n LYS 282 N 0.00 -0.04 -2.17 1.61 5.02 -1.26 -4.31 118.16 117.01 2a1r n LYS 282 Ca 0.00 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 2a1r n LYS 282 Cb 0.00 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 2a1r n LYS 282 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2a1r s LEU 283 N 6.02 4.42 -0.20 -0.35 2.96 -1.26 -4.58 118.68 125.68 2a1r s LEU 283 Ca 0.45 2.50 -0.01 0.00 -0.22 0.00 0.00 54.13 56.84 2a1r s LEU 283 Cb -0.21 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.87 2a1r s LEU 283 CO 0.78 -0.55 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.44 2a1r s VAL 284 N -0.16 2.61 -0.11 1.68 1.01 -0.02 -1.75 120.40 123.65 2a1r s VAL 284 Ca 0.55 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 2a1r s VAL 284 Cb -0.38 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2a1r s VAL 284 CO 0.42 0.49 0.08 -0.63 0.00 0.00 0.00 175.10 175.46 2a1r s ILE 285 N 1.36 5.00 0.27 2.22 1.09 0.14 -2.27 121.20 129.01 2a1r s ILE 285 Ca 0.05 0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.65 2a1r s ILE 285 Cb -0.14 -3.16 -0.04 0.00 -1.06 0.00 0.00 42.46 38.07 2a1r s ILE 285 CO -0.09 0.60 0.20 -0.83 -0.10 0.00 0.00 174.94 174.72 2a1r s GLY 286 N -0.84 1.90 -0.14 6.18 0.00 -0.49 -0.61 107.32 113.32 2a1r s GLY 286 Ca 0.13 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.99 2a1r s GLY 286 CO 0.03 -1.45 -0.12 -1.58 0.00 0.00 0.00 173.10 169.97 2a1r s HIS 287 N -3.79 1.96 -1.17 1.90 2.46 -1.26 -1.09 115.29 114.30 2a1r s HIS 287 Ca 0.39 -1.07 -0.21 0.00 0.47 0.00 0.00 55.06 54.64 2a1r s HIS 287 Cb 0.05 -1.49 -0.00 0.00 -0.13 0.00 0.00 32.58 31.01 2a1r s HIS 287 CO 0.19 -0.62 0.75 -1.71 -2.47 0.00 0.00 174.74 170.88 2a1r n ASN 288 N 4.82 -4.68 -1.49 9.88 5.15 -1.26 -4.89 115.26 122.79 2a1r n ASN 288 Ca -0.16 -1.05 0.09 0.00 -0.60 0.00 0.00 54.58 52.87 2a1r n ASN 288 Cb 0.50 -3.14 0.34 0.00 -0.53 0.00 0.00 39.78 36.95 2a1r n ASN 288 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2a1r n MET 289 N -4.32 3.40 0.30 1.20 0.00 -1.26 -4.60 117.12 111.84 2a1r n MET 289 Ca -0.12 -2.69 -0.17 0.00 0.00 0.00 0.00 57.70 54.73 2a1r n MET 289 Cb 0.60 -1.80 -0.08 0.00 0.00 0.00 0.00 33.22 31.93 2a1r n MET 289 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a1r h LEU 290 N 3.96 -0.82 -0.73 3.17 6.46 -1.95 0.67 115.31 126.08 2a1r h LEU 290 Ca 0.00 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2a1r h LEU 290 Cb 1.30 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 2a1r h LEU 290 CO 0.18 -0.51 0.39 -0.07 -0.62 0.00 0.00 178.44 177.80 2a1r h LEU 291 N -0.81 0.92 -0.39 2.25 4.07 -1.99 1.00 115.31 120.35 2a1r h LEU 291 Ca -0.06 -0.11 0.08 0.00 0.08 0.00 0.00 57.88 57.87 2a1r h LEU 291 Cb 0.66 -0.23 -0.08 0.00 1.08 0.00 0.00 40.66 42.09 2a1r h LEU 291 CO 0.06 0.76 -0.15 0.44 -1.08 0.00 0.00 178.44 178.47 2a1r h ASP 292 N 1.01 -0.54 -0.04 -0.43 3.32 -1.79 0.11 116.42 118.05 2a1r h ASP 292 Ca 0.25 0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.30 2a1r h ASP 292 Cb 0.06 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2a1r h ASP 292 CO -0.04 -0.19 -0.46 0.58 -1.72 0.00 0.00 179.24 177.41 2a1r h VAL 293 N -0.07 1.31 -0.31 -1.35 2.07 -0.20 -2.02 116.25 115.67 2a1r h VAL 293 Ca 0.19 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.95 2a1r h VAL 293 Cb 0.37 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2a1r h VAL 293 CO -0.45 0.52 -0.20 0.24 0.02 0.00 0.00 177.57 177.71 2a1r h MET 294 N 0.47 0.68 -0.82 1.57 2.86 -0.36 -2.35 114.93 116.98 2a1r h MET 294 Ca 0.03 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2a1r h MET 294 Cb 0.99 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 2a1r h MET 294 CO 0.09 0.92 0.51 0.45 1.06 0.00 0.00 176.91 179.94 2a1r h HIS 295 N 0.44 1.07 -0.01 -0.22 -0.00 -0.78 -0.81 115.15 114.84 2a1r h HIS 295 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2a1r h HIS 295 Cb 0.74 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 2a1r h HIS 295 CO 0.06 0.71 0.00 1.15 -0.00 0.00 0.00 177.93 179.85 2a1r h THR 296 N 1.13 1.16 -0.45 2.45 2.02 -1.23 -0.88 112.91 117.11 2a1r h THR 296 Ca 0.30 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 2a1r h THR 296 Cb -0.06 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2a1r h THR 296 CO -0.06 0.12 -0.17 1.62 0.37 0.00 0.00 175.52 177.41 2a1r h VAL 297 N -0.19 1.27 -0.57 3.16 3.04 -1.40 -1.44 116.25 120.11 2a1r h VAL 297 Ca 0.00 -1.31 -0.00 0.00 -1.01 0.00 0.00 66.70 64.38 2a1r h VAL 297 Cb 0.20 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 2a1r h VAL 297 CO -0.00 0.45 0.36 -0.74 -1.01 0.00 0.00 177.57 176.62 2a1r h HIS 298 N 0.74 0.74 0.00 3.17 6.17 -1.00 0.80 115.15 125.77 2a1r h HIS 298 Ca 0.11 0.01 -0.34 0.00 0.71 0.00 0.00 60.37 60.85 2a1r h HIS 298 Cb 0.73 -0.25 -0.06 0.00 2.52 0.00 0.00 27.41 30.35 2a1r h HIS 298 CO 0.05 0.48 -2.13 1.04 0.71 0.00 0.00 177.93 178.09 2a1r n GLN 299 N -4.43 0.67 -0.00 5.26 6.02 -0.35 -3.85 117.38 120.70 2a1r n GLN 299 Ca 0.05 0.12 0.02 0.00 -0.01 0.00 0.00 57.00 57.19 2a1r n GLN 299 Cb 0.06 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 2a1r n GLN 299 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2a1r n PHE 300 N -2.91 0.00 0.02 1.08 0.99 -0.55 -4.21 117.46 111.87 2a1r n PHE 300 Ca -0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.15 2a1r n PHE 300 Cb 1.11 -0.09 -0.01 0.00 -1.00 0.00 0.00 39.48 39.49 2a1r n PHE 300 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 2a1r n TYR 301 N -1.58 0.00 -3.64 1.38 9.36 -0.84 -4.17 117.16 117.67 2a1r n TYR 301 Ca -0.01 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 2a1r n TYR 301 Cb 0.11 -0.11 -0.07 0.00 -0.63 0.00 0.00 39.34 38.65 2a1r n TYR 301 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2a1r n PRO 303 N 2.66 2.43 -1.79 0.00 -0.04 -1.25 -3.82 135.00 133.19 2a1r n PRO 303 Ca -0.14 0.86 -0.41 0.00 -0.04 0.00 0.00 63.50 63.76 2a1r n PRO 303 Cb 0.56 -2.54 -0.01 0.00 -0.04 0.00 0.00 33.50 31.47 2a1r n PRO 303 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a1r s LEU 304 N -1.24 4.34 1.02 1.53 1.43 -1.26 -4.98 118.68 119.52 2a1r s LEU 304 Ca 0.57 2.95 -0.16 0.00 -1.03 0.00 0.00 54.13 56.46 2a1r s LEU 304 Cb -0.53 -3.64 0.21 0.00 0.03 0.00 0.00 46.19 42.26 2a1r s LEU 304 CO 0.60 -0.91 1.19 -2.16 0.23 0.00 0.00 176.35 175.30 2a1r s PRO 305 N -0.62 0.20 0.24 1.29 0.04 -1.26 -4.99 135.00 129.90 2a1r s PRO 305 Ca 0.62 -0.06 0.11 0.00 0.04 0.00 0.00 61.00 61.72 2a1r s PRO 305 Cb -0.48 -1.76 0.18 0.00 0.04 0.00 0.00 34.50 32.48 2a1r s PRO 305 CO 0.49 -2.77 1.50 0.00 0.04 0.00 0.00 177.00 176.26 2a1r h ALA 306 N -1.90 0.73 -3.53 8.56 0.00 -2.00 -3.46 119.26 117.66 2a1r h ALA 306 Ca -0.47 -0.64 -0.68 0.00 0.00 0.00 0.00 54.91 53.13 2a1r h ALA 306 Cb 1.29 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 2a1r h ALA 306 CO 0.45 0.88 -0.67 -0.51 0.00 0.00 0.00 179.25 179.40 2a1r s ASP 307 N -6.70 4.85 0.34 0.00 1.01 -1.26 -4.89 116.67 110.03 2a1r s ASP 307 Ca 0.00 -0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.29 2a1r s ASP 307 Cb 0.11 -1.24 0.62 0.00 1.01 0.00 0.00 42.92 43.42 2a1r s ASP 307 CO 0.77 0.33 1.92 0.25 0.21 0.00 0.00 175.17 178.66 2a1r h LEU 308 N 4.90 0.57 -0.05 1.23 5.85 -1.88 -2.70 115.31 123.22 2a1r h LEU 308 Ca -0.49 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.19 2a1r h LEU 308 Cb 1.18 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 2a1r h LEU 308 CO 0.54 0.55 -0.32 0.77 -0.34 0.00 0.00 178.44 179.64 2a1r h SER 309 N 0.62 -0.96 1.28 1.25 4.64 -1.99 -1.13 113.55 117.25 2a1r h SER 309 Ca 0.15 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2a1r h SER 309 Cb 0.18 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2a1r h SER 309 CO -0.01 -0.37 0.00 1.05 -0.87 0.00 0.00 176.83 176.63 2a1r h GLU 310 N -0.44 0.00 -0.24 4.77 4.11 -1.97 -2.69 114.58 118.12 2a1r h GLU 310 Ca 0.08 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.37 2a1r h GLU 310 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2a1r h GLU 310 CO -0.30 0.00 -0.41 0.35 0.07 0.00 0.00 179.01 178.72 2a1r h PHE 311 N 0.00 0.68 -0.16 2.06 3.57 -1.04 -2.17 116.94 119.88 2a1r h PHE 311 Ca 0.00 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.23 2a1r h PHE 311 Cb 0.64 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2a1r h PHE 311 CO 0.00 0.89 -0.22 -0.22 -2.23 0.00 0.00 178.31 176.53 2a1r h LYS 312 N 0.47 0.28 -0.31 1.11 3.11 -0.91 -1.82 116.57 118.51 2a1r h LYS 312 Ca 0.04 -0.09 -0.09 0.00 -2.81 0.00 0.00 60.65 57.70 2a1r h LYS 312 Cb 0.91 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 2a1r h LYS 312 CO 0.08 0.50 -0.14 0.93 -2.81 0.00 0.00 179.45 178.01 2a1r h GLU 313 N 0.26 0.65 0.01 1.90 5.08 -1.27 -3.02 114.58 118.19 2a1r h GLU 313 Ca 0.04 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2a1r h GLU 313 Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2a1r h GLU 313 CO 0.04 0.86 -0.01 0.52 -1.00 0.00 0.00 179.01 179.42 2a1r h MET 314 N 0.41 -0.02 -0.92 2.33 2.86 -1.19 -2.86 114.93 115.54 2a1r h MET 314 Ca 0.07 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.96 2a1r h MET 314 Cb 0.66 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.20 2a1r h MET 314 CO 0.04 0.19 0.41 1.15 1.06 0.00 0.00 176.91 179.77 2a1r h THR 315 N -0.23 0.42 0.00 2.22 2.02 -1.42 0.20 112.91 116.12 2a1r h THR 315 Ca -0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2a1r h THR 315 Cb 0.22 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2a1r h THR 315 CO 0.00 0.07 -0.11 0.74 0.37 0.00 0.00 175.52 176.59 2a1r h THR 316 N 0.37 0.73 0.00 3.16 2.02 -1.37 0.70 112.91 118.52 2a1r h THR 316 Ca 0.60 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 67.21 2a1r h THR 316 Cb 1.19 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 2a1r h THR 316 CO -0.56 0.11 -0.68 0.00 0.37 0.00 0.00 175.52 174.75 2a1r n VAL 318 N -3.21 1.48 -3.29 0.00 0.31 -0.79 -4.79 118.33 108.03 2a1r n VAL 318 Ca 0.00 -0.80 -0.25 0.00 -0.01 0.00 0.00 64.34 63.28 2a1r n VAL 318 Cb 0.78 -0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2a1r n VAL 318 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2a1r n PHE 319 N -2.91 -0.82 0.26 3.52 3.01 0.24 -3.98 117.46 116.77 2a1r n PHE 319 Ca -0.30 -3.34 0.10 0.00 1.01 0.00 0.00 57.45 54.92 2a1r n PHE 319 Cb 1.11 0.08 0.68 0.00 -0.01 0.00 0.00 39.48 41.34 2a1r n PHE 319 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2a1r h PRO 320 N 4.98 0.00 -3.99 -1.08 0.13 -1.72 -3.38 132.00 126.93 2a1r h PRO 320 Ca 0.18 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.73 2a1r h PRO 320 Cb 0.90 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.64 2a1r h PRO 320 CO 0.40 0.07 -0.77 1.03 -0.23 0.00 0.00 178.00 178.50 2a1r s ARG 321 N -4.70 1.17 0.15 0.86 0.52 -1.26 -4.93 118.95 110.77 2a1r s ARG 321 Ca -0.04 -0.87 0.09 0.00 -0.52 0.00 0.00 55.73 54.38 2a1r s ARG 321 Cb 0.16 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 2a1r s ARG 321 CO 0.63 -0.69 -0.16 -1.17 0.02 0.00 0.00 175.30 173.94 2a1r s LEU 322 N 1.55 2.77 -0.24 2.53 2.96 -1.26 -0.84 118.68 126.15 2a1r s LEU 322 Ca -0.01 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.18 2a1r s LEU 322 Cb -0.18 -1.54 0.08 0.00 0.50 0.00 0.00 46.19 45.05 2a1r s LEU 322 CO -0.10 0.14 0.56 -0.22 -1.32 0.00 0.00 176.35 175.42 2a1r s LEU 323 N -2.45 -0.65 -0.29 -0.68 0.20 -0.96 -0.64 118.68 113.20 2a1r s LEU 323 Ca 0.21 1.26 -0.05 0.00 0.69 0.00 0.00 54.13 56.23 2a1r s LEU 323 Cb -0.10 1.91 0.02 0.00 -0.43 0.00 0.00 46.19 47.60 2a1r s LEU 323 CO 0.12 -0.22 0.04 -0.62 -0.29 0.00 0.00 176.35 175.38 2a1r s ASP 324 N 1.82 4.94 0.50 3.68 -1.08 -1.26 -1.39 116.67 123.87 2a1r s ASP 324 Ca -0.08 -0.86 0.18 0.00 -0.52 0.00 0.00 52.55 51.26 2a1r s ASP 324 Cb -0.08 -1.81 1.25 0.00 -1.46 0.00 0.00 42.92 40.82 2a1r s ASP 324 CO -0.17 -0.20 2.10 0.71 0.52 0.00 0.00 175.17 178.13 2a1r h THR 325 N 6.03 0.96 -0.39 1.71 1.35 -1.48 0.13 112.91 121.22 2a1r h THR 325 Ca -0.30 -0.27 -0.11 0.00 -0.55 0.00 0.00 66.41 65.18 2a1r h THR 325 Cb 1.11 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 2a1r h THR 325 CO 0.59 0.07 -0.20 0.50 -0.25 0.00 0.00 175.52 176.23 2a1r h LYS 326 N 0.00 0.82 -0.22 4.72 3.64 -1.87 -0.16 116.57 123.50 2a1r h LYS 326 Ca -0.00 -0.36 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 2a1r h LYS 326 Cb 0.14 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2a1r h LYS 326 CO 0.01 1.00 -0.16 1.25 -2.27 0.00 0.00 179.45 179.27 2a1r h LEU 327 N 0.63 0.52 -0.67 5.20 5.85 -1.72 -2.01 115.31 123.11 2a1r h LEU 327 Ca 0.08 -0.45 0.09 0.00 0.84 0.00 0.00 57.88 58.44 2a1r h LEU 327 Cb 0.76 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 2a1r h LEU 327 CO 0.06 0.86 0.32 -0.03 -0.34 0.00 0.00 178.44 179.30 2a1r h MET 328 N 0.18 0.54 0.00 1.25 4.05 -0.70 0.01 114.93 120.26 2a1r h MET 328 Ca 0.04 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2a1r h MET 328 Cb 0.69 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 2a1r h MET 328 CO 0.04 0.36 0.00 0.00 0.23 0.00 0.00 176.91 177.54 2a1r h ALA 329 N 1.41 1.00 -0.63 0.39 0.00 -0.92 -2.42 119.26 118.08 2a1r h ALA 329 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2a1r h ALA 329 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2a1r h ALA 329 CO -0.26 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.42 2a1r n SER 330 N -2.54 3.38 -4.36 0.00 7.64 -0.05 -3.71 113.62 113.99 2a1r n SER 330 Ca 0.01 -2.00 -0.28 0.00 1.01 0.00 0.00 58.87 57.62 2a1r n SER 330 Cb 0.24 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.89 2a1r n SER 330 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2a1r s THR 331 N -1.16 2.11 0.60 0.44 2.01 -0.91 -4.69 115.64 114.05 2a1r s THR 331 Ca 0.42 -1.68 -0.19 0.00 0.31 0.00 0.00 61.69 60.55 2a1r s THR 331 Cb 0.22 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 2a1r s THR 331 CO 0.29 0.07 1.25 -1.10 -0.69 0.00 0.00 174.62 174.43 2a1r s GLN 332 N -1.97 2.88 0.00 4.92 -1.52 -1.26 -0.41 119.66 122.29 2a1r s GLN 332 Ca 0.12 1.94 0.15 0.00 -1.95 0.00 0.00 55.36 55.62 2a1r s GLN 332 Cb -0.10 -1.94 0.81 0.00 -0.22 0.00 0.00 33.01 31.56 2a1r s GLN 332 CO 0.05 -1.31 1.53 -0.35 -0.25 0.00 0.00 175.29 174.97 2a1r n PRO 333 N -1.61 1.12 0.08 2.91 -0.04 -1.26 -4.82 135.00 131.38 2a1r n PRO 333 Ca 0.14 -0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 2a1r n PRO 333 Cb 0.49 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2a1r n PRO 333 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2a1r h PHE 334 N 0.35 0.38 -0.69 0.54 -1.00 -1.01 -3.32 116.94 112.20 2a1r h PHE 334 Ca 0.00 -0.20 0.16 0.00 2.81 0.00 0.00 57.97 60.74 2a1r h PHE 334 Cb 0.08 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 2a1r h PHE 334 CO 0.02 1.00 0.48 -0.22 -1.61 0.00 0.00 178.31 177.98 2a1r h LYS 335 N 0.15 0.24 0.00 1.51 3.64 -1.12 -1.00 116.57 119.99 2a1r h LYS 335 Ca -0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2a1r h LYS 335 Cb 1.48 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2a1r h LYS 335 CO 0.14 0.16 -0.08 -0.25 -2.27 0.00 0.00 179.45 177.15 2a1r n ASP 336 N -4.43 0.58 -0.07 4.20 8.00 -1.25 -3.92 116.55 119.67 2a1r n ASP 336 Ca 0.13 0.48 -0.07 0.00 0.71 0.00 0.00 54.79 56.05 2a1r n ASP 336 Cb 0.59 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2a1r n ASP 336 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2a1r n ILE 337 N -2.02 0.90 -3.56 0.53 5.41 -0.49 -4.98 119.36 115.14 2a1r n ILE 337 Ca 0.06 -0.53 -0.38 0.00 1.00 0.00 0.00 62.75 62.89 2a1r n ILE 337 Cb 0.40 -0.70 -0.11 0.00 -0.71 0.00 0.00 39.64 38.53 2a1r n ILE 337 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2a1r s ILE 338 N -2.32 5.29 -0.04 1.39 1.01 -0.55 -4.96 121.20 121.03 2a1r s ILE 338 Ca -0.08 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.52 2a1r s ILE 338 Cb 0.04 -3.57 -0.31 0.00 0.01 0.00 0.00 42.46 38.62 2a1r s ILE 338 CO 0.52 0.20 0.83 -1.13 0.00 0.00 0.00 174.94 175.35 2a1r h ASN 339 N 8.38 0.55 -3.34 3.58 -0.00 -1.90 -3.46 115.58 119.38 2a1r h ASN 339 Ca -0.34 -0.92 -0.49 0.00 -0.00 0.00 0.00 56.30 54.54 2a1r h ASN 339 Cb 1.18 -0.18 -0.35 0.00 -0.00 0.00 0.00 38.32 38.98 2a1r h ASN 339 CO 0.57 1.54 -0.80 0.21 -0.00 0.00 0.00 177.43 178.96 2a1r s ASN 340 N -7.15 1.72 0.00 1.15 3.84 -1.26 -5.03 114.94 108.21 2a1r s ASN 340 Ca -0.14 -0.25 0.22 0.00 0.21 0.00 0.00 52.86 52.89 2a1r s ASN 340 Cb 0.03 -0.73 0.57 0.00 -0.55 0.00 0.00 41.25 40.57 2a1r s ASN 340 CO 0.84 -0.04 1.49 0.35 -2.79 0.00 0.00 177.10 176.95 2a1r n THR 341 N 4.28 0.80 -1.77 -5.21 -2.24 -1.26 -3.79 114.28 105.10 2a1r n THR 341 Ca -0.19 -0.87 -0.41 0.00 -2.27 0.00 0.00 64.05 60.31 2a1r n THR 341 Cb 0.51 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2a1r n THR 341 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2a1r n SER 342 N 1.49 3.81 -0.31 3.42 7.64 -1.26 -4.74 113.62 123.67 2a1r n SER 342 Ca 0.22 1.21 0.12 0.00 1.01 0.00 0.00 58.87 61.43 2a1r n SER 342 Cb 0.58 -1.62 0.30 0.00 -1.01 0.00 0.00 64.21 62.46 2a1r n SER 342 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2a1r h LEU 343 N 3.32 0.47 0.24 -3.43 5.85 -1.98 0.43 115.31 120.22 2a1r h LEU 343 Ca -0.50 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 2a1r h LEU 343 Cb 1.24 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2a1r h LEU 343 CO 0.67 0.10 -0.11 0.00 -0.34 0.00 0.00 178.44 178.76 2a1r h ALA 344 N 1.66 -0.32 -0.26 1.25 0.00 -1.97 -1.96 119.26 117.67 2a1r h ALA 344 Ca 0.55 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 2a1r h ALA 344 Cb 0.96 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2a1r h ALA 344 CO -0.46 -0.56 -0.24 0.93 0.00 0.00 0.00 179.25 178.92 2a1r h GLU 345 N -0.56 0.49 -0.50 0.00 3.07 -1.57 -2.60 114.58 112.92 2a1r h GLU 345 Ca -0.03 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.36 58.60 2a1r h GLU 345 Cb 0.41 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 2a1r h GLU 345 CO 0.05 0.70 0.14 1.25 -1.40 0.00 0.00 179.01 179.75 2a1r h LEU 346 N 0.43 0.74 -0.61 1.33 5.85 -0.15 -0.34 115.31 122.57 2a1r h LEU 346 Ca 0.06 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 2a1r h LEU 346 Cb 0.66 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2a1r h LEU 346 CO 0.05 0.77 -0.04 1.05 -0.34 0.00 0.00 178.44 179.93 2a1r h GLU 347 N 0.68 1.06 -0.26 1.25 4.11 -1.28 -1.47 114.58 118.67 2a1r h GLU 347 Ca 0.16 -0.35 -0.01 0.00 0.07 0.00 0.00 59.36 59.23 2a1r h GLU 347 Cb 0.31 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2a1r h GLU 347 CO -0.00 1.05 0.14 0.87 0.07 0.00 0.00 179.01 181.14 2a1r h LYS 348 N 0.96 0.37 -0.34 1.06 6.56 -1.29 -3.01 116.57 120.88 2a1r h LYS 348 Ca 0.16 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 59.62 2a1r h LYS 348 Cb 0.60 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 2a1r h LYS 348 CO 0.04 0.34 -0.13 -0.09 -2.06 0.00 0.00 179.45 177.55 2a1r h ARG 349 N 0.31 0.59 0.00 3.15 9.65 -0.89 -2.86 114.38 124.33 2a1r h ARG 349 Ca 0.09 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2a1r h ARG 349 Cb 0.08 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2a1r h ARG 349 CO -0.01 0.71 0.00 1.28 2.80 0.00 0.00 179.97 184.75 2a1r n LEU 350 N -4.18 0.00 0.01 3.80 4.77 -0.57 -2.21 117.00 118.62 2a1r n LEU 350 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 2a1r n LEU 350 Cb 0.35 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2a1r n LEU 350 CO 0.41 0.00 -0.05 0.29 -1.33 0.00 0.00 177.39 176.71 2a1r n LYS 351 N -0.55 0.18 -4.21 3.23 5.02 -1.08 -3.98 118.16 116.78 2a1r n LYS 351 Ca 0.02 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2a1r n LYS 351 Cb 0.01 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.40 2a1r n LYS 351 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2a1r s GLU 352 N -3.13 2.18 0.48 1.97 2.02 -0.94 -4.47 118.70 116.81 2a1r s GLU 352 Ca 0.05 -1.83 -0.23 0.00 0.02 0.00 0.00 54.97 52.98 2a1r s GLU 352 Cb 0.15 -1.95 -0.07 0.00 0.10 0.00 0.00 34.13 32.36 2a1r s GLU 352 CO 0.83 -0.05 1.26 0.95 0.02 0.00 0.00 175.26 178.27 2a1r s THR 353 N -2.58 2.64 -2.02 3.63 -4.23 -1.26 -0.93 115.64 110.89 2a1r s THR 353 Ca 0.39 0.50 0.10 0.00 -1.18 0.00 0.00 61.69 61.50 2a1r s THR 353 Cb 0.03 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.87 2a1r s THR 353 CO 0.22 0.01 1.24 -0.81 -0.54 0.00 0.00 174.62 174.74 2a1r n PRO 354 N -0.55 1.60 -2.75 3.99 -0.04 -1.26 -5.08 135.00 130.90 2a1r n PRO 354 Ca 0.08 -0.92 -0.27 0.00 -0.04 0.00 0.00 63.50 62.34 2a1r n PRO 354 Cb 0.46 -1.22 -0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2a1r n PRO 354 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2a1r s PHE 355 N -1.67 3.55 -0.12 0.54 0.40 -0.10 -4.98 117.98 115.59 2a1r s PHE 355 Ca 0.19 0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 57.27 2a1r s PHE 355 Cb 0.10 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.41 2a1r s PHE 355 CO 0.13 -0.21 -0.10 -0.80 0.70 0.00 0.00 175.22 174.94 2a1r s ASN 356 N -4.07 2.34 0.30 1.36 0.01 -1.26 -4.28 114.94 109.34 2a1r s ASN 356 Ca 0.46 -0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 51.95 2a1r s ASN 356 Cb -0.10 -0.96 -0.12 0.00 0.41 0.00 0.00 41.25 40.48 2a1r s ASN 356 CO 0.43 -0.09 1.59 -0.81 -1.51 0.00 0.00 177.10 176.72 2a1r n PRO 357 N 4.82 2.72 -2.77 -0.60 -0.04 -1.26 -4.68 135.00 133.20 2a1r n PRO 357 Ca -0.15 0.97 -0.33 0.00 -0.04 0.00 0.00 63.50 63.95 2a1r n PRO 357 Cb 0.50 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 2a1r n PRO 357 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2a1r s PRO 358 N -0.69 4.18 -0.57 0.54 0.04 -1.26 -4.99 135.00 132.25 2a1r s PRO 358 Ca 0.63 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 2a1r s PRO 358 Cb -0.49 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 31.89 2a1r s PRO 358 CO 0.50 -0.06 1.24 0.21 0.04 0.00 0.00 177.00 178.93 2a1r s LYS 359 N -3.31 3.48 0.06 4.56 2.20 -1.26 -4.98 119.74 120.48 2a1r s LYS 359 Ca 0.61 0.31 0.06 0.00 -0.36 0.00 0.00 55.97 56.59 2a1r s LYS 359 Cb -0.09 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2a1r s LYS 359 CO 0.16 -1.72 -0.16 0.54 -0.36 0.00 0.00 175.35 173.80 2a1r s VAL 360 N 5.17 1.30 -0.13 4.02 0.11 -1.26 -1.29 120.40 128.31 2a1r s VAL 360 Ca 0.45 -1.22 -0.18 0.00 -2.93 0.00 0.00 61.98 58.11 2a1r s VAL 360 Cb -0.08 -1.19 0.04 0.00 -1.53 0.00 0.00 36.38 33.63 2a1r s VAL 360 CO 0.26 -0.05 0.47 -0.70 -3.33 0.00 0.00 175.10 171.75 2a1r s GLU 361 N -1.46 0.63 0.45 1.54 2.12 -0.48 -4.95 118.70 116.55 2a1r s GLU 361 Ca 0.02 0.46 -0.14 0.00 0.36 0.00 0.00 54.97 55.67 2a1r s GLU 361 Cb -0.09 0.30 -0.07 0.00 0.26 0.00 0.00 34.13 34.53 2a1r s GLU 361 CO 0.02 -0.12 0.88 -1.54 -0.54 0.00 0.00 175.26 173.96 2a1r s SER 362 N -0.20 6.60 0.83 -1.70 1.04 -1.26 -0.85 113.70 118.17 2a1r s SER 362 Ca -0.04 1.37 -0.11 0.00 0.48 0.00 0.00 55.95 57.66 2a1r s SER 362 Cb -0.03 -2.42 0.09 0.00 0.10 0.00 0.00 66.02 63.76 2a1r s SER 362 CO 0.02 -0.48 1.10 0.00 0.98 0.00 0.00 173.24 174.86 2a1r s ALA 363 N -2.46 1.90 0.08 5.32 0.00 -0.61 -4.74 121.76 121.24 2a1r s ALA 363 Ca 0.55 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 2a1r s ALA 363 Cb -0.10 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2a1r s ALA 363 CO 0.30 -2.10 1.72 -2.00 0.00 0.00 0.00 175.76 173.68 2a1r s GLU 364 N -4.87 4.17 0.00 0.00 2.56 -1.26 -2.23 118.70 117.07 2a1r s GLU 364 Ca 0.63 2.43 0.00 0.00 0.00 0.00 0.00 54.97 58.02 2a1r s GLU 364 Cb -0.18 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.32 2a1r s GLU 364 CO 0.57 -0.78 0.00 0.41 -0.56 0.00 0.00 175.26 174.90 2a1r n GLY 365 N 4.10 3.26 3.88 -1.50 0.00 -1.26 -5.05 105.19 108.62 2a1r n GLY 365 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2a1r n GLY 365 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1r s PHE 366 N -2.41 3.48 1.14 1.61 0.40 -0.95 -5.09 117.98 116.16 2a1r s PHE 366 Ca 0.00 1.01 -0.19 0.00 -0.60 0.00 0.00 56.93 57.16 2a1r s PHE 366 Cb 0.00 -2.43 0.27 0.00 0.51 0.00 0.00 43.02 41.37 2a1r s PHE 366 CO 0.00 -0.13 1.21 -2.14 0.70 0.00 0.00 175.22 174.85 2a1r s PRO 367 N -3.98 -0.72 0.17 0.24 0.02 -1.26 -4.78 135.00 124.69 2a1r s PRO 367 Ca 0.51 -0.30 -0.23 0.00 0.02 0.00 0.00 61.00 61.00 2a1r s PRO 367 Cb -0.10 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.80 2a1r s PRO 367 CO 0.33 -3.34 0.61 -1.54 -0.33 0.00 0.00 177.00 172.73 2a1r s SER 368 N -4.36 -0.52 0.53 2.53 1.04 -1.26 -4.82 113.70 106.84 2a1r s SER 368 Ca 0.73 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 57.14 2a1r s SER 368 Cb -0.06 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.73 2a1r s SER 368 CO 0.55 -1.01 0.49 -1.22 0.98 0.00 0.00 173.24 173.03 2a1r n TYR 369 N -0.38 -1.07 0.00 5.02 4.02 -1.26 -5.17 117.16 118.31 2a1r n TYR 369 Ca -0.15 -2.17 0.00 0.00 -0.01 0.00 0.00 57.90 55.57 2a1r n TYR 369 Cb 0.64 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2a1r n TYR 369 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2a1r n GLN 375 N -1.86 0.00 -2.03 -0.72 -0.06 -1.26 -5.22 117.38 106.23 2a1r n GLN 375 Ca 0.03 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.61 2a1r n GLN 375 Cb 0.59 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.74 2a1r n GLN 375 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2a1r s LEU 376 N 0.00 4.35 0.26 1.69 2.01 -1.26 -4.95 118.68 120.77 2a1r s LEU 376 Ca 0.00 2.38 -0.29 0.00 0.01 0.00 0.00 54.13 56.23 2a1r s LEU 376 Cb 0.00 -3.57 -0.15 0.00 0.01 0.00 0.00 46.19 42.49 2a1r s LEU 376 CO 0.00 -0.81 1.00 1.57 1.01 0.00 0.00 176.35 179.12 2a1r n HIS 377 N 5.21 1.14 0.00 0.29 -0.00 -1.26 -4.97 115.22 115.63 2a1r n HIS 377 Ca 0.14 0.72 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 2a1r n HIS 377 Cb 0.41 -2.23 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 2a1r n HIS 377 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2a1r n GLU 378 N 0.96 0.00 -0.39 1.57 0.00 -1.26 -4.89 120.64 116.64 2a1r n GLU 378 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.20 2a1r n GLU 378 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.69 2a1r n GLU 378 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2a1r n ALA 379 N -0.00 -0.43 -0.36 4.31 0.00 -1.26 -0.75 120.51 122.02 2a1r n ALA 379 Ca 0.00 0.86 0.02 0.00 0.00 0.00 0.00 53.44 54.32 2a1r n ALA 379 Cb 0.00 -0.24 0.18 0.00 0.00 0.00 0.00 19.45 19.39 2a1r n ALA 379 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2a1r h GLY 380 N 0.00 1.48 0.64 0.00 0.00 -1.86 -0.75 103.07 102.57 2a1r h GLY 380 Ca 0.22 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2a1r h GLY 380 CO -0.91 0.35 -0.01 -1.82 0.00 0.00 0.00 176.54 174.15 2a1r h TYR 381 N 1.17 0.06 -0.92 5.60 3.20 -1.32 -1.87 116.97 122.90 2a1r h TYR 381 Ca 0.42 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.37 2a1r h TYR 381 Cb 0.14 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 2a1r h TYR 381 CO -0.00 0.42 0.59 -0.44 -1.64 0.00 0.00 178.16 177.09 2a1r h ASP 382 N -0.32 0.84 -0.58 -2.11 5.19 -1.02 0.49 116.42 118.91 2a1r h ASP 382 Ca 0.01 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 2a1r h ASP 382 Cb 0.41 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 2a1r h ASP 382 CO 0.00 0.49 0.02 0.00 -3.12 0.00 0.00 179.24 176.63 2a1r h ALA 383 N 1.54 0.77 -0.41 3.45 0.00 -1.01 0.58 119.26 124.19 2a1r h ALA 383 Ca 0.43 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2a1r h ALA 383 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2a1r h ALA 383 CO -0.19 0.59 0.08 -0.92 0.00 0.00 0.00 179.25 178.81 2a1r h TYR 384 N 0.89 0.71 -0.27 0.00 3.20 -0.49 -1.51 116.97 119.49 2a1r h TYR 384 Ca 0.17 -0.09 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 2a1r h TYR 384 Cb 0.52 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2a1r h TYR 384 CO 0.04 0.68 -0.38 0.82 -1.64 0.00 0.00 178.16 177.68 2a1r h ILE 385 N 0.53 1.29 -0.75 1.81 1.08 -0.68 -1.57 117.51 119.23 2a1r h ILE 385 Ca 0.13 -1.54 -0.01 0.00 -0.39 0.00 0.00 64.86 63.05 2a1r h ILE 385 Cb 0.35 1.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 2a1r h ILE 385 CO 0.01 0.49 0.43 0.74 -0.69 0.00 0.00 178.15 179.12 2a1r h THR 386 N 0.52 1.22 -0.31 -0.27 2.02 -0.78 -1.33 112.91 113.98 2a1r h THR 386 Ca 0.05 -0.51 -0.18 0.00 0.77 0.00 0.00 66.41 66.54 2a1r h THR 386 Cb 0.89 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2a1r h THR 386 CO 0.08 0.24 -0.50 1.23 0.37 0.00 0.00 175.52 176.93 2a1r h GLY 387 N 1.07 0.94 1.66 2.16 0.00 -0.70 -1.80 103.07 106.40 2a1r h GLY 387 Ca 0.27 -1.06 -0.07 0.00 0.00 0.00 0.00 47.33 46.47 2a1r h GLY 387 CO -0.05 0.95 -0.13 1.41 0.00 0.00 0.00 176.54 178.72 2a1r h LEU 388 N 0.68 0.40 0.30 3.11 3.38 -0.99 -2.24 115.31 119.94 2a1r h LEU 388 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2a1r h LEU 388 Cb 1.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2a1r h LEU 388 CO 0.11 0.57 -0.14 0.00 0.09 0.00 0.00 178.44 179.07 2a1r h PHE 390 N -0.68 0.87 -0.27 0.00 3.57 -1.25 -1.85 116.94 117.33 2a1r h PHE 390 Ca -0.04 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2a1r h PHE 390 Cb 0.47 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2a1r h PHE 390 CO 0.01 0.24 -0.20 0.82 -2.23 0.00 0.00 178.31 176.95 2a1r h ILE 391 N 0.66 1.31 -0.67 1.41 2.04 -1.18 0.08 117.51 121.16 2a1r h ILE 391 Ca 0.52 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2a1r h ILE 391 Cb 0.92 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2a1r h ILE 391 CO -0.27 0.42 0.31 0.28 0.00 0.00 0.00 178.15 178.88 2a1r h SER 392 N 0.33 0.90 -0.36 1.72 0.02 -0.93 -1.73 113.55 113.50 2a1r h SER 392 Ca 0.05 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 2a1r h SER 392 Cb 0.75 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2a1r h SER 392 CO 0.05 0.79 -0.30 0.24 -1.14 0.00 0.00 176.83 176.48 2a1r h MET 393 N 0.94 0.84 -0.37 3.45 2.86 -1.19 -2.23 114.93 119.23 2a1r h MET 393 Ca 0.23 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 2a1r h MET 393 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2a1r h MET 393 CO -0.03 1.06 0.09 0.00 1.06 0.00 0.00 176.91 179.10 2a1r h ALA 394 N 0.76 0.49 -0.33 6.32 0.00 -0.95 -2.95 119.26 122.59 2a1r h ALA 394 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2a1r h ALA 394 Cb 0.88 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2a1r h ALA 394 CO 0.08 0.16 0.14 -0.91 0.00 0.00 0.00 179.25 178.71 2a1r h ASN 395 N 0.45 0.41 -0.00 0.00 2.35 -1.20 -2.19 115.58 115.41 2a1r h ASN 395 Ca 0.12 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 2a1r h ASN 395 Cb 0.30 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2a1r h ASN 395 CO 0.00 0.37 -0.15 0.22 -1.65 0.00 0.00 177.43 176.22 2a1r h TYR 396 N 0.46 0.32 0.00 1.19 3.20 -1.24 -1.98 116.97 118.93 2a1r h TYR 396 Ca 0.12 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2a1r h TYR 396 Cb 0.09 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2a1r h TYR 396 CO 0.00 0.45 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.84 2a1r h LEU 397 N 0.28 0.00 -2.14 2.82 3.38 -1.28 -2.37 115.31 116.00 2a1r h LEU 397 Ca 0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2a1r h LEU 397 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2a1r h LEU 397 CO 0.03 0.06 0.11 1.23 0.09 0.00 0.00 178.44 179.96 2a1r h GLY 398 N 0.37 0.00 1.88 0.83 0.00 -1.39 -2.60 103.07 102.16 2a1r h GLY 398 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a1r h GLY 398 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 2a1r n SER 399 N -4.23 0.00 -1.49 0.19 3.41 -0.89 -2.11 113.62 108.50 2a1r n SER 399 Ca 0.00 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.05 2a1r n SER 399 Cb 0.23 -0.44 0.31 0.00 -0.26 0.00 0.00 64.21 64.05 2a1r n SER 399 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2a1r n PHE 400 N -1.44 1.46 -4.31 7.33 3.01 -0.98 -4.85 117.46 117.68 2a1r n PHE 400 Ca 0.05 -0.53 -0.24 0.00 1.01 0.00 0.00 57.45 57.74 2a1r n PHE 400 Cb 0.16 -0.33 -0.08 0.00 -0.01 0.00 0.00 39.48 39.22 2a1r n PHE 400 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2a1r s LEU 401 N -1.91 3.10 -0.19 4.37 1.43 -0.97 -5.06 118.68 119.45 2a1r s LEU 401 Ca 0.43 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2a1r s LEU 401 Cb 0.30 -1.65 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2a1r s LEU 401 CO 0.16 0.02 -0.06 -0.94 0.23 0.00 0.00 176.35 175.76 2a1r s SER 402 N -3.53 3.23 0.63 2.29 1.04 -1.26 -1.41 113.70 114.69 2a1r s SER 402 Ca 0.30 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.73 2a1r s SER 402 Cb -0.07 -1.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.99 2a1r s SER 402 CO 0.19 -0.19 1.07 -2.16 0.98 0.00 0.00 173.24 173.12 2a1r s PRO 403 N 1.52 3.12 0.17 4.02 0.04 -1.26 -5.09 135.00 137.52 2a1r s PRO 403 Ca -0.01 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 2a1r s PRO 403 Cb -0.16 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 2a1r s PRO 403 CO -0.07 -0.97 1.32 -1.25 0.04 0.00 0.00 177.00 176.07 2a1r s PRO 404 N -4.34 4.38 0.16 0.56 0.04 -0.50 -5.02 135.00 130.28 2a1r s PRO 404 Ca 0.63 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.48 2a1r s PRO 404 Cb -0.16 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 2a1r s PRO 404 CO 0.42 -0.29 0.73 0.15 0.04 0.00 0.00 177.00 178.05 2a1r s LYS 405 N 0.22 4.45 0.18 4.56 1.02 -0.90 -4.92 119.74 124.35 2a1r s LYS 405 Ca 0.58 1.03 0.11 0.00 0.02 0.00 0.00 55.97 57.72 2a1r s LYS 405 Cb -0.36 -3.19 -0.08 0.00 -0.52 0.00 0.00 37.83 33.67 2a1r s LYS 405 CO 0.36 0.56 1.29 0.82 -0.92 0.00 0.00 175.35 177.46 2a1r h ILE 406 N 3.27 1.21 -3.26 2.17 2.04 -1.89 -3.35 117.51 117.71 2a1r h ILE 406 Ca -0.48 -2.76 -0.61 0.00 1.00 0.00 0.00 64.86 62.01 2a1r h ILE 406 Cb 1.21 2.59 -0.34 0.00 -0.74 0.00 0.00 36.82 39.53 2a1r h ILE 406 CO 0.65 0.69 -0.85 -2.28 0.00 0.00 0.00 178.15 176.37 2a1r s HIS 407 N -2.83 2.16 -0.23 1.37 5.04 -1.26 -4.80 115.29 114.74 2a1r s HIS 407 Ca 0.02 -1.03 0.02 0.00 -1.54 0.00 0.00 55.06 52.53 2a1r s HIS 407 Cb 0.09 -1.52 0.04 0.00 0.04 0.00 0.00 32.58 31.23 2a1r s HIS 407 CO 0.79 -0.50 -0.14 0.08 -2.34 0.00 0.00 174.74 172.62 2a1r s VAL 408 N 0.90 2.15 1.02 0.89 1.01 -1.26 -5.00 120.40 120.11 2a1r s VAL 408 Ca -0.08 -1.34 -0.12 0.00 0.00 0.00 0.00 61.98 60.44 2a1r s VAL 408 Cb -0.15 -2.12 0.16 0.00 0.00 0.00 0.00 36.38 34.27 2a1r s VAL 408 CO -0.01 0.20 0.81 -0.24 0.00 0.00 0.00 175.10 175.86 2a1r n SER 409 N 4.51 -1.09 0.24 3.32 2.88 -1.26 -4.66 113.62 117.56 2a1r n SER 409 Ca -0.17 0.17 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2a1r n SER 409 Cb 0.45 -1.30 0.47 0.00 -0.75 0.00 0.00 64.21 63.09 2a1r n SER 409 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a1r h ALA 410 N -2.07 1.00 0.00 -1.46 0.00 -2.00 -2.97 119.26 111.75 2a1r h ALA 410 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a1r h ALA 410 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2a1r h ALA 410 CO 0.41 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 179.11 2a1r h ARG 411 N 0.00 0.00 -6.56 0.00 3.08 -1.91 -3.48 114.38 105.51 2a1r h ARG 411 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2a1r h ARG 411 Cb 0.69 0.00 0.19 0.00 0.08 0.00 0.00 29.97 30.93 2a1r h ARG 411 CO 0.00 0.00 -0.54 0.45 -1.07 0.00 0.00 179.97 178.81 2a1r n SER 412 N -2.53 -1.65 0.08 7.04 2.88 -1.13 -4.90 113.62 113.41 2a1r n SER 412 Ca 0.03 0.58 0.13 0.00 -1.33 0.00 0.00 58.87 58.28 2a1r n SER 412 Cb 0.50 -1.16 0.47 0.00 -0.75 0.00 0.00 64.21 63.26 2a1r n SER 412 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2a1r n LYS 413 N -0.35 0.18 0.27 -1.46 5.02 -1.26 -2.74 118.16 117.81 2a1r n LYS 413 Ca 0.09 0.18 0.14 0.00 -2.02 0.00 0.00 58.31 56.70 2a1r n LYS 413 Cb 0.50 -1.72 0.74 0.00 -0.02 0.00 0.00 35.03 34.53 2a1r n LYS 413 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2a1r h LEU 414 N 0.00 0.00 0.00 -0.35 3.38 -1.95 -3.06 115.31 113.32 2a1r h LEU 414 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2a1r h LEU 414 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2a1r h LEU 414 CO 0.00 0.11 -1.46 -0.38 0.09 0.00 0.00 178.44 176.79 2a1r n ILE 415 N -3.50 0.17 -0.04 1.22 5.41 -1.11 -4.45 119.36 117.07 2a1r n ILE 415 Ca -0.01 -0.40 0.04 0.00 1.00 0.00 0.00 62.75 63.37 2a1r n ILE 415 Cb 0.25 0.07 0.40 0.00 -0.71 0.00 0.00 39.64 39.65 2a1r n ILE 415 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2a1r h GLU 416 N 0.00 0.60 0.00 0.38 5.08 -1.61 -1.49 114.58 117.53 2a1r h GLU 416 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2a1r h GLU 416 Cb 0.89 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2a1r h GLU 416 CO 0.00 0.40 0.00 -0.35 -1.00 0.00 0.00 179.01 178.06 2a1r n PRO 417 N -4.47 0.03 0.00 2.33 -0.04 -1.26 -2.88 135.00 128.71 2a1r n PRO 417 Ca 0.04 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 2a1r n PRO 417 Cb 0.08 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 2a1r n PRO 417 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2a1r n PHE 418 N -1.46 0.00 -1.06 0.54 3.01 -0.57 -5.02 117.46 112.91 2a1r n PHE 418 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.18 2a1r n PHE 418 Cb 0.12 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.71 2a1r n PHE 418 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2a1r s PHE 419 N -2.37 2.22 -1.04 1.38 2.99 -1.14 -4.24 117.98 115.78 2a1r s PHE 419 Ca 0.13 1.58 -0.09 0.00 0.00 0.00 0.00 56.93 58.55 2a1r s PHE 419 Cb 0.15 -3.15 0.01 0.00 0.00 0.00 0.00 43.02 40.03 2a1r s PHE 419 CO 0.58 -2.24 0.17 0.09 -0.00 0.00 0.00 175.22 173.82 2a1r n ASN 420 N -3.83 -0.55 0.00 1.36 3.02 0.18 -4.92 115.26 110.53 2a1r n ASN 420 Ca 0.09 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2a1r n ASN 420 Cb 0.53 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 2a1r n ASN 420 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2a1r n LYS 421 N -3.72 0.00 -2.97 3.52 4.76 -1.26 -4.83 118.16 113.66 2a1r n LYS 421 Ca -0.18 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.13 2a1r n LYS 421 Cb 0.47 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.65 2a1r n LYS 421 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2a1r n LEU 422 N 0.00 -0.58 0.00 -0.35 -0.00 -1.26 -5.06 117.00 109.74 2a1r n LEU 422 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2a1r n LEU 422 Cb 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 41.95 2a1r n LEU 422 CO 0.00 0.02 0.00 2.22 -0.00 0.00 0.00 177.39 179.63