#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wka s GLN 5 N 0.00 4.29 0.43 0.54 -1.52 -1.26 -5.01 119.66 117.12 2wka s GLN 5 Ca 0.00 1.09 -0.26 0.00 -1.95 0.00 0.00 55.36 54.24 2wka s GLN 5 Cb 0.00 -3.59 -0.09 0.00 -0.22 0.00 0.00 33.01 29.11 2wka s GLN 5 CO 0.00 -0.40 1.39 1.28 -0.25 0.00 0.00 175.29 177.31 2wka n LEU 6 N 5.48 4.71 -4.76 2.90 4.77 -1.26 -4.96 117.00 123.88 2wka n LEU 6 Ca 0.06 1.14 -0.36 0.00 -0.03 0.00 0.00 56.01 56.82 2wka n LEU 6 Cb 0.48 -1.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.03 2wka n LEU 6 CO 0.49 -0.25 0.83 -2.16 -1.33 0.00 0.00 177.39 174.97 2wka s PRO 7 N -2.30 3.02 0.57 3.23 0.04 -1.26 -4.74 135.00 133.56 2wka s PRO 7 Ca 0.60 1.78 0.27 0.00 0.04 0.00 0.00 61.00 63.69 2wka s PRO 7 Cb -0.47 -1.94 1.55 0.00 0.04 0.00 0.00 34.50 33.68 2wka s PRO 7 CO 0.59 -1.16 2.05 -0.44 0.04 0.00 0.00 177.00 178.08 2wka h ASP 8 N 0.90 0.00 0.32 6.66 3.32 -1.98 -0.29 116.42 125.34 2wka h ASP 8 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 2wka h ASP 8 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2wka h ASP 8 CO 0.55 0.00 -0.28 2.19 -1.72 0.00 0.00 179.24 179.98 2wka h PHE 9 N 0.00 0.00 0.07 4.55 -0.00 -2.01 -2.29 116.94 117.26 2wka h PHE 9 Ca 0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 57.97 57.73 2wka h PHE 9 Cb 0.69 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.60 2wka h PHE 9 CO 0.00 0.28 -2.20 -0.89 -0.00 0.00 0.00 178.31 175.51 2wka n ILE 10 N -4.13 1.65 -0.25 0.88 5.41 -0.23 -4.06 119.36 118.64 2wka n ILE 10 Ca -0.02 -0.63 -0.00 0.00 1.00 0.00 0.00 62.75 63.10 2wka n ILE 10 Cb 0.34 -1.57 0.12 0.00 -0.71 0.00 0.00 39.64 37.81 2wka n ILE 10 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2wka h GLN 11 N 0.04 0.70 -0.32 0.38 5.75 -1.22 -2.05 115.11 118.39 2wka h GLN 11 Ca -0.49 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 57.84 2wka h GLN 11 Cb 1.98 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 30.36 2wka h GLN 11 CO 0.01 0.47 -0.32 -0.91 -2.65 0.00 0.00 178.83 175.43 2wka h ASN 12 N 0.72 0.72 -0.40 -0.69 2.35 -1.62 -0.53 115.58 116.13 2wka h ASN 12 Ca 0.33 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2wka h ASN 12 Cb 0.23 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2wka h ASN 12 CO -0.20 0.98 0.24 0.50 -1.65 0.00 0.00 177.43 177.30 2wka h LYS 13 N 0.58 0.55 -0.04 0.81 3.64 -1.55 -0.54 116.57 120.03 2wka h LYS 13 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2wka h LYS 13 Cb 0.83 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2wka h LYS 13 CO 0.07 0.42 -0.01 0.82 -2.27 0.00 0.00 179.45 178.48 2wka h ILE 14 N 0.53 1.31 -0.59 2.00 1.08 -1.23 -0.71 117.51 119.90 2wka h ILE 14 Ca 0.14 -0.96 0.12 0.00 -0.39 0.00 0.00 64.86 63.77 2wka h ILE 14 Cb 0.02 1.89 -0.11 0.00 -3.07 0.00 0.00 36.82 35.55 2wka h ILE 14 CO -0.03 0.26 -0.08 0.44 -0.69 0.00 0.00 178.15 178.05 2wka h ASP 15 N -0.31 -0.43 -0.49 1.72 3.32 -1.05 0.15 116.42 119.32 2wka h ASP 15 Ca 0.01 0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2wka h ASP 15 Cb 0.42 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2wka h ASP 15 CO 0.00 -0.16 0.07 0.45 -1.72 0.00 0.00 179.24 177.88 2wka h HIS 16 N 0.05 0.89 -0.17 4.55 3.86 -1.01 -2.38 115.15 120.93 2wka h HIS 16 Ca 0.29 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2wka h HIS 16 Cb 0.46 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2wka h HIS 16 CO -0.43 0.81 0.10 -0.92 0.86 0.00 0.00 177.93 178.36 2wka h TYR 17 N 0.70 0.22 -0.41 2.45 3.20 -0.43 -0.64 116.97 122.06 2wka h TYR 17 Ca 0.15 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2wka h TYR 17 Cb 0.42 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 2wka h TYR 17 CO 0.03 0.18 0.07 0.82 -1.64 0.00 0.00 178.16 177.62 2wka h ILE 18 N 0.20 0.77 -0.79 1.81 2.04 -0.92 0.35 117.51 120.97 2wka h ILE 18 Ca 0.06 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2wka h ILE 18 Cb 0.02 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2wka h ILE 18 CO -0.01 0.04 0.32 1.05 0.00 0.00 0.00 178.15 179.54 2wka h GLU 19 N 0.20 1.18 0.00 2.37 4.11 -1.20 -0.48 114.58 120.75 2wka h GLU 19 Ca 0.20 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2wka h GLU 19 Cb 0.26 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wka h GLU 19 CO -0.28 0.95 -0.69 -0.91 0.07 0.00 0.00 179.01 178.16 2wka h ASN 20 N 1.15 0.00 0.00 3.06 2.35 -0.41 -3.20 115.58 118.52 2wka h ASN 20 Ca 0.26 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2wka h ASN 20 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2wka h ASN 20 CO -0.02 0.02 -0.96 -1.22 -1.65 0.00 0.00 177.43 173.60 2wka n TYR 21 N -2.63 0.00 -0.04 1.19 4.02 0.12 -4.72 117.16 115.09 2wka n TYR 21 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 2wka n TYR 21 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.81 2wka n TYR 21 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2wka n PHE 22 N -1.57 0.00 -0.35 -0.72 3.72 -0.32 -4.24 117.46 113.98 2wka n PHE 22 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 2wka n PHE 22 Cb 0.13 -0.35 0.20 0.00 -0.94 0.00 0.00 39.48 38.52 2wka n PHE 22 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2wka h ASP 23 N -0.52 0.99 0.00 4.37 3.32 -1.30 -2.52 116.42 120.77 2wka h ASP 23 Ca -0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2wka h ASP 23 Cb 0.81 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2wka h ASP 23 CO -0.08 0.62 0.00 0.16 -1.72 0.00 0.00 179.24 178.23 2wka h ILE 24 N 1.12 0.00 -2.98 0.35 -0.00 -1.82 -3.43 117.51 110.75 2wka h ILE 24 Ca 0.43 0.00 -0.62 0.00 -0.00 0.00 0.00 64.86 64.67 2wka h ILE 24 Cb 0.21 0.50 -0.07 0.00 -0.00 0.00 0.00 36.82 37.47 2wka h ILE 24 CO -0.18 0.00 -0.30 0.20 -0.00 0.00 0.00 178.15 177.87 2wka s ASN 25 N -4.08 6.62 0.31 2.16 0.01 -0.95 -4.99 114.94 114.02 2wka s ASN 25 Ca -0.03 0.73 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 2wka s ASN 25 Cb 0.07 -2.19 0.72 0.00 0.41 0.00 0.00 41.25 40.26 2wka s ASN 25 CO 0.21 0.29 1.56 0.29 -1.51 0.00 0.00 177.10 177.94 2wka n LYS 26 N 2.27 -0.08 -0.00 -0.60 5.02 -1.26 0.15 118.16 123.66 2wka n LYS 26 Ca -0.15 1.51 0.15 0.00 -2.02 0.00 0.00 58.31 57.79 2wka n LYS 26 Cb 0.53 -2.37 0.69 0.00 -0.02 0.00 0.00 35.03 33.86 2wka n LYS 26 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2wka n ASN 27 N -5.52 0.88 0.00 4.39 0.23 -1.26 -4.91 115.26 109.08 2wka n ASN 27 Ca 0.22 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 2wka n ASN 27 Cb 0.73 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 2wka n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wka n GLY 28 N 1.10 0.31 3.92 4.83 0.00 0.40 -5.00 105.19 110.77 2wka n GLY 28 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2wka n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wka s LYS 29 N -0.86 2.59 0.57 1.61 1.02 -1.24 -4.35 119.74 119.07 2wka s LYS 29 Ca 0.00 -1.48 -0.21 0.00 0.02 0.00 0.00 55.97 54.30 2wka s LYS 29 Cb 0.00 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2wka s LYS 29 CO 0.00 -0.27 1.31 -1.58 -0.92 0.00 0.00 175.35 173.89 2wka s HIS 30 N -2.46 2.30 0.45 3.18 5.65 -1.26 -4.59 115.29 118.56 2wka s HIS 30 Ca 0.50 1.43 0.22 0.00 0.25 0.00 0.00 55.06 57.46 2wka s HIS 30 Cb -0.05 -3.71 1.21 0.00 -1.18 0.00 0.00 32.58 28.85 2wka s HIS 30 CO 0.30 -2.71 1.86 1.25 -0.65 0.00 0.00 174.74 174.79 2wka h LEU 31 N 1.24 0.28 0.00 8.88 5.85 -1.94 0.34 115.31 129.97 2wka h LEU 31 Ca -0.51 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2wka h LEU 31 Cb 1.30 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2wka h LEU 31 CO 0.56 0.11 0.00 1.33 -0.34 0.00 0.00 178.44 180.10 2wka n VAL 32 N -4.45 0.64 -3.55 1.05 0.24 -1.26 -4.55 118.33 106.45 2wka n VAL 32 Ca 0.19 0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 62.24 2wka n VAL 32 Cb 0.78 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 32.21 2wka n VAL 32 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2wka s LEU 33 N -2.89 4.98 0.00 1.34 1.02 0.11 -4.74 118.68 118.50 2wka s LEU 33 Ca 0.11 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 53.13 2wka s LEU 33 Cb 0.12 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.28 2wka s LEU 33 CO 0.33 -0.46 0.00 0.61 0.02 0.00 0.00 176.35 176.85 2wka n GLY 34 N 5.03 2.05 3.92 -3.19 0.00 -1.26 -4.77 105.19 106.96 2wka n GLY 34 Ca -0.11 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 2wka n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wka s LYS 35 N 4.89 3.26 0.03 1.61 -2.85 -1.26 -5.05 119.74 120.37 2wka s LYS 35 Ca 0.00 -0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.59 2wka s LYS 35 Cb 0.00 -2.42 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 2wka s LYS 35 CO 0.00 -0.31 1.10 -1.14 0.10 0.00 0.00 175.35 175.09 2wka s GLN 36 N -4.72 4.49 0.90 1.78 0.74 -1.26 -5.03 119.66 116.56 2wka s GLN 36 Ca 0.48 1.60 -0.14 0.00 0.05 0.00 0.00 55.36 57.36 2wka s GLN 36 Cb -0.10 -3.41 0.14 0.00 1.10 0.00 0.00 33.01 30.74 2wka s GLN 36 CO 0.42 -0.17 1.21 0.00 -0.55 0.00 0.00 175.29 176.21 2wka s ALA 37 N 1.07 2.25 0.37 1.58 0.00 -1.26 -5.10 121.76 120.67 2wka s ALA 37 Ca 0.55 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.77 2wka s ALA 37 Cb -0.25 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2wka s ALA 37 CO 0.28 -2.13 -0.01 -1.12 0.00 0.00 0.00 175.76 172.79 2wka s SER 38 N -4.54 3.40 0.29 0.00 0.01 -1.26 -5.05 113.70 106.56 2wka s SER 38 Ca 0.66 -1.32 0.03 0.00 1.31 0.00 0.00 55.95 56.64 2wka s SER 38 Cb -0.09 -0.30 0.63 0.00 0.21 0.00 0.00 66.02 66.47 2wka s SER 38 CO 0.51 -0.43 1.81 -0.65 0.41 0.00 0.00 173.24 174.89 2wka h PRO 39 N 1.95 0.87 -0.00 12.44 0.11 -2.05 -2.08 132.00 143.24 2wka h PRO 39 Ca -0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wka h PRO 39 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wka h PRO 39 CO 0.75 0.58 -0.42 -0.25 -0.21 0.00 0.00 178.00 178.45 2wka n ASP 40 N -4.68 0.66 -4.74 -2.05 10.43 -1.26 -4.89 116.55 110.01 2wka n ASP 40 Ca 0.21 -0.45 -0.36 0.00 2.57 0.00 0.00 54.79 56.76 2wka n ASP 40 Cb 0.45 0.21 0.06 0.00 1.84 0.00 0.00 41.12 43.68 2wka n ASP 40 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2wka s ASP 41 N -2.84 4.75 -0.47 -2.24 1.01 -0.78 -4.97 116.67 111.13 2wka s ASP 41 Ca 0.15 2.48 -0.21 0.00 0.71 0.00 0.00 52.55 55.68 2wka s ASP 41 Cb 0.18 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.54 2wka s ASP 41 CO 0.64 -1.90 0.68 -0.63 0.21 0.00 0.00 175.17 174.17 2wka s ILE 42 N -1.59 4.78 -0.22 0.77 1.01 0.95 -4.93 121.20 121.96 2wka s ILE 42 Ca 0.79 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.33 2wka s ILE 42 Cb -0.33 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 2wka s ILE 42 CO 0.38 -0.70 0.27 -0.63 0.00 0.00 0.00 174.94 174.26 2wka s ILE 43 N 2.93 5.29 -0.50 2.92 1.09 -1.26 -1.27 121.20 130.40 2wka s ILE 43 Ca 0.22 0.42 0.08 0.00 -1.10 0.00 0.00 60.65 60.27 2wka s ILE 43 Cb -0.15 -3.60 0.32 0.00 -1.06 0.00 0.00 42.46 37.97 2wka s ILE 43 CO 0.18 0.30 0.81 0.18 -0.10 0.00 0.00 174.94 176.31 2wka n LEU 44 N 4.39 2.73 0.00 2.97 4.77 0.30 -4.81 117.00 127.36 2wka n LEU 44 Ca -0.12 -5.33 0.00 0.00 -0.03 0.00 0.00 56.01 50.53 2wka n LEU 44 Cb 0.52 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2wka n LEU 44 CO 0.37 2.27 -0.40 0.00 -1.33 0.00 0.00 177.39 178.30 2wka n GLN 45 N 0.24 2.10 -3.15 3.23 6.02 -1.26 -2.35 117.38 122.21 2wka n GLN 45 Ca 0.28 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.89 2wka n GLN 45 Cb 0.50 -0.90 -0.06 0.00 1.02 0.00 0.00 30.24 30.80 2wka n GLN 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2wka s SER 46 N -2.03 7.11 0.00 1.08 0.15 -1.26 -4.93 113.70 113.81 2wka s SER 46 Ca 0.00 1.39 0.15 0.00 0.70 0.00 0.00 55.95 58.19 2wka s SER 46 Cb 0.00 -2.41 0.46 0.00 -1.71 0.00 0.00 66.02 62.37 2wka s SER 46 CO 0.00 0.15 1.37 0.59 1.20 0.00 0.00 173.24 176.55 2wka n ASN 47 N 1.19 2.24 -4.18 5.45 3.02 -1.26 -4.63 115.26 117.10 2wka n ASN 47 Ca -0.06 -1.94 -0.39 0.00 -0.03 0.00 0.00 54.58 52.17 2wka n ASN 47 Cb 0.51 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 2wka n ASN 47 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2wka n ASP 48 N 0.72 3.65 -0.05 6.41 2.03 -1.26 -3.20 116.55 124.85 2wka n ASP 48 Ca 0.15 -2.79 0.04 0.00 0.52 0.00 0.00 54.79 52.71 2wka n ASP 48 Cb 0.37 -1.58 0.39 0.00 -0.72 0.00 0.00 41.12 39.58 2wka n ASP 48 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2wka h TYR 49 N 7.89 0.61 -0.43 -0.67 0.05 -1.82 -2.12 116.97 120.48 2wka h TYR 49 Ca 0.41 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.17 2wka h TYR 49 Cb 0.79 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 2wka h TYR 49 CO 1.33 0.38 0.03 1.28 -1.05 0.00 0.00 178.16 180.13 2wka n LEU 50 N -4.46 4.85 -3.77 3.88 4.77 -1.26 -0.32 117.00 120.68 2wka n LEU 50 Ca 0.05 -3.04 -0.24 0.00 -0.03 0.00 0.00 56.01 52.75 2wka n LEU 50 Cb 0.07 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.55 2wka n LEU 50 CO 0.35 0.70 -0.12 0.00 -1.33 0.00 0.00 177.39 176.99 2wka n ALA 51 N -0.07 -2.09 0.93 -1.18 0.00 -0.80 -4.80 120.51 112.49 2wka n ALA 51 Ca 0.26 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.60 2wka n ALA 51 Cb 1.07 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 2wka n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wka n LEU 52 N -4.28 1.16 -0.34 0.00 4.77 -1.26 -4.58 117.00 112.47 2wka n LEU 52 Ca -0.28 -0.56 0.19 0.00 -0.03 0.00 0.00 56.01 55.34 2wka n LEU 52 Cb 0.67 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.18 2wka n LEU 52 CO 0.70 0.26 1.17 0.00 -1.33 0.00 0.00 177.39 178.19 2wka h ALA 53 N 2.97 1.89 -0.47 -1.18 0.00 -1.91 -0.84 119.26 119.72 2wka h ALA 53 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2wka h ALA 53 Cb 0.52 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 2wka h ALA 53 CO 0.00 -0.38 0.10 0.09 0.00 0.00 0.00 179.25 179.06 2wka n ASN 54 N -4.87 3.44 -4.71 0.00 3.02 -1.26 -4.94 115.26 105.94 2wka n ASN 54 Ca 0.27 -3.45 -0.42 0.00 -0.03 0.00 0.00 54.58 50.96 2wka n ASN 54 Cb 0.81 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 2wka n ASN 54 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2wka s HIS 55 N -3.09 2.86 0.27 3.10 2.46 -0.32 -4.89 115.29 115.67 2wka s HIS 55 Ca 0.47 0.59 0.03 0.00 0.47 0.00 0.00 55.06 56.63 2wka s HIS 55 Cb 0.40 -3.88 0.38 0.00 -0.13 0.00 0.00 32.58 29.36 2wka s HIS 55 CO 0.06 -3.31 1.68 -1.00 -2.47 0.00 0.00 174.74 169.70 2wka h PRO 56 N 7.40 0.39 -0.53 2.88 0.13 -1.95 -1.23 132.00 139.10 2wka h PRO 56 Ca -0.42 -0.18 -0.11 0.00 -0.87 0.00 0.00 66.00 64.43 2wka h PRO 56 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2wka h PRO 56 CO 0.91 0.70 -0.09 1.25 -0.23 0.00 0.00 178.00 180.54 2wka h LEU 57 N 0.33 0.97 -0.20 1.56 5.85 -1.99 0.37 115.31 122.21 2wka h LEU 57 Ca 0.04 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2wka h LEU 57 Cb 0.79 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2wka h LEU 57 CO 0.06 1.07 -0.04 0.40 -0.34 0.00 0.00 178.44 179.60 2wka h ILE 58 N 0.87 1.28 -0.60 4.05 2.04 -1.83 -2.31 117.51 121.02 2wka h ILE 58 Ca 0.14 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2wka h ILE 58 Cb 0.64 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 2wka h ILE 58 CO 0.04 0.31 0.31 0.11 0.00 0.00 0.00 178.15 178.92 2wka h LYS 59 N 0.11 0.85 -0.76 2.37 1.57 -1.12 -1.86 116.57 117.72 2wka h LYS 59 Ca 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2wka h LYS 59 Cb 0.48 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2wka h LYS 59 CO 0.02 0.67 0.45 0.00 -0.57 0.00 0.00 179.45 180.01 2wka h ALA 60 N 1.14 0.97 -0.24 3.86 0.00 -0.89 -0.88 119.26 123.22 2wka h ALA 60 Ca 0.21 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2wka h ALA 60 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2wka h ALA 60 CO -0.03 0.45 -0.45 0.00 0.00 0.00 0.00 179.25 179.22 2wka h ARG 61 N 1.04 0.61 0.17 0.00 2.47 -1.21 -1.06 114.38 116.40 2wka h ARG 61 Ca 0.27 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2wka h ARG 61 Cb -0.01 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2wka h ARG 61 CO -0.05 0.93 -0.08 -0.07 0.56 0.00 0.00 179.97 181.27 2wka h LEU 62 N 0.49 -0.19 -0.67 3.04 3.38 -1.06 -2.26 115.31 118.04 2wka h LEU 62 Ca 0.03 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wka h LEU 62 Cb 0.98 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2wka h LEU 62 CO 0.09 0.02 0.42 0.00 0.09 0.00 0.00 178.44 179.06 2wka h ALA 63 N 0.40 0.87 0.60 1.53 0.00 -1.14 -0.18 119.26 121.34 2wka h ALA 63 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2wka h ALA 63 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wka h ALA 63 CO 0.04 0.20 -0.51 -0.22 0.00 0.00 0.00 179.25 178.76 2wka h LYS 64 N 0.83 -1.04 0.00 0.00 3.64 -1.18 0.14 116.57 118.96 2wka h LYS 64 Ca 0.26 0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 2wka h LYS 64 Cb -0.00 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2wka h LYS 64 CO -0.10 -0.69 -0.19 0.66 -2.27 0.00 0.00 179.45 176.86 2wka h SER 65 N -1.08 0.00 -0.61 4.20 4.64 -1.28 -1.40 113.55 118.02 2wka h SER 65 Ca -0.08 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 2wka h SER 65 Cb 0.91 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 2wka h SER 65 CO -0.01 0.19 0.08 0.25 -0.87 0.00 0.00 176.83 176.47 2wka h LEU 66 N 0.00 1.01 -0.85 5.97 6.46 -0.77 -2.87 115.31 124.25 2wka h LEU 66 Ca -0.00 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.45 2wka h LEU 66 Cb 0.34 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2wka h LEU 66 CO 0.02 1.02 -0.29 -0.07 -0.62 0.00 0.00 178.44 178.50 2wka h LEU 67 N 0.98 0.00 -0.30 2.25 3.38 0.04 -3.06 115.31 118.61 2wka h LEU 67 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wka h LEU 67 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2wka h LEU 67 CO 0.02 0.29 0.00 -0.62 0.09 0.00 0.00 178.44 178.22 2wka n GLU 68 N -3.37 0.04 0.00 1.13 1.02 -0.65 -4.95 120.64 113.86 2wka n GLU 68 Ca 0.01 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2wka n GLU 68 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2wka n GLU 68 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2wka n GLU 69 N -1.68 0.00 -4.10 3.49 0.00 -1.16 -5.01 120.64 112.18 2wka n GLU 69 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 2wka n GLU 69 Cb 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 31.32 2wka n GLU 69 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 2wka s GLN 70 N 0.00 1.48 0.14 5.31 1.03 -1.26 -4.86 119.66 121.49 2wka s GLN 70 Ca 0.00 -0.27 -0.28 0.00 0.04 0.00 0.00 55.36 54.85 2wka s GLN 70 Cb 0.00 -1.45 -0.07 0.00 0.03 0.00 0.00 33.01 31.52 2wka s GLN 70 CO 0.00 -0.17 0.88 -0.65 -2.54 0.00 0.00 175.29 172.81 2wka s GLN 71 N 1.38 4.67 -1.15 9.60 -0.21 -1.26 -5.00 119.66 127.68 2wka s GLN 71 Ca -0.02 1.33 -0.18 0.00 0.02 0.00 0.00 55.36 56.51 2wka s GLN 71 Cb -0.14 -3.33 0.11 0.00 1.00 0.00 0.00 33.01 30.66 2wka s GLN 71 CO -0.04 0.37 1.48 0.45 -2.12 0.00 0.00 175.29 175.43 2wka s SER 72 N -0.53 6.81 -0.81 5.90 0.15 -1.26 -4.83 113.70 119.13 2wka s SER 72 Ca 0.42 -2.35 -0.01 0.00 0.70 0.00 0.00 55.95 54.70 2wka s SER 72 Cb -0.23 -2.49 0.36 0.00 -1.71 0.00 0.00 66.02 61.94 2wka s SER 72 CO 0.28 -1.09 1.87 0.18 1.20 0.00 0.00 173.24 175.68 2wka n LEU 73 N 7.32 7.09 -4.42 3.45 4.77 -1.26 -4.90 117.00 129.05 2wka n LEU 73 Ca 0.38 -4.97 -0.45 0.00 -0.03 0.00 0.00 56.01 50.94 2wka n LEU 73 Cb 0.47 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 2wka n LEU 73 CO 0.66 1.87 0.93 -0.36 -1.33 0.00 0.00 177.39 179.15 2wka s PHE 74 N -4.03 3.43 0.11 -1.77 0.40 -1.26 -4.72 117.98 110.15 2wka s PHE 74 Ca 0.50 -1.78 -0.26 0.00 -0.60 0.00 0.00 56.93 54.79 2wka s PHE 74 Cb 0.40 -4.15 0.08 0.00 0.51 0.00 0.00 43.02 39.87 2wka s PHE 74 CO -0.35 -1.32 1.08 0.00 0.70 0.00 0.00 175.22 175.33 2wka s MET 75 N 1.59 1.00 0.43 0.44 0.23 -1.26 -5.05 119.30 116.67 2wka s MET 75 Ca 0.31 -0.58 -0.26 0.00 -1.03 0.00 0.00 55.69 54.13 2wka s MET 75 Cb -0.06 0.32 -0.09 0.00 -1.53 0.00 0.00 34.83 33.47 2wka s MET 75 CO -0.07 -0.46 1.41 0.45 -2.03 0.00 0.00 175.02 174.32 2wka s SER 76 N -3.12 6.06 0.27 -1.18 0.15 -1.26 -2.23 113.70 112.38 2wka s SER 76 Ca 0.16 2.89 0.21 0.00 0.70 0.00 0.00 55.95 59.92 2wka s SER 76 Cb -0.00 -2.65 1.01 0.00 -1.71 0.00 0.00 66.02 62.67 2wka s SER 76 CO 0.02 -1.05 1.64 0.00 1.20 0.00 0.00 173.24 175.05 2wka n ALA 77 N 0.01 1.33 -0.09 5.45 0.00 -1.25 -2.33 120.51 123.64 2wka n ALA 77 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.66 2wka n ALA 77 Cb 0.42 -1.33 0.38 0.00 0.00 0.00 0.00 19.45 18.92 2wka n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2wka h SER 78 N 0.00 0.58 0.71 0.00 0.02 -1.77 -0.65 113.55 112.44 2wka h SER 78 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2wka h SER 78 Cb 0.17 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2wka h SER 78 CO 0.00 0.40 -0.01 0.49 -1.14 0.00 0.00 176.83 176.57 2wka n PHE 79 N -4.46 0.00 -1.74 3.45 3.72 -0.98 -3.70 117.46 113.74 2wka n PHE 79 Ca 0.06 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 2wka n PHE 79 Cb 0.12 -0.36 0.09 0.00 -0.94 0.00 0.00 39.48 38.40 2wka n PHE 79 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2wka n LEU 80 N -1.35 4.94 -0.59 4.37 4.77 -0.25 -4.65 117.00 124.23 2wka n LEU 80 Ca 0.12 -4.37 0.11 0.00 -0.03 0.00 0.00 56.01 51.84 2wka n LEU 80 Cb 0.28 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 2wka n LEU 80 CO 0.25 1.74 0.38 0.00 -1.33 0.00 0.00 177.39 178.42 2wka n GLN 81 N -0.89 1.51 -1.92 3.23 1.13 -1.24 -4.07 117.38 115.14 2wka n GLN 81 Ca 0.42 -1.20 -0.41 0.00 -1.94 0.00 0.00 57.00 53.87 2wka n GLN 81 Cb 0.91 -1.45 -0.00 0.00 0.11 0.00 0.00 30.24 29.80 2wka n GLN 81 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wka s ASN 82 N -2.28 6.38 0.34 1.08 0.01 -1.26 -4.86 114.94 114.35 2wka s ASN 82 Ca 0.20 2.89 0.09 0.00 -0.71 0.00 0.00 52.86 55.33 2wka s ASN 82 Cb 0.18 -2.66 0.83 0.00 0.41 0.00 0.00 41.25 40.01 2wka s ASN 82 CO 0.48 -0.83 1.82 -2.24 -1.51 0.00 0.00 177.10 174.82 2wka h ASP 83 N 2.96 0.68 0.74 -1.22 3.04 -1.96 0.29 116.42 120.95 2wka h ASP 83 Ca -0.50 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 2wka h ASP 83 Cb 1.24 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 2wka h ASP 83 CO 0.64 0.28 0.00 0.00 -2.04 0.00 0.00 179.24 178.11 2wka n TYR 84 N -4.65 0.76 0.80 4.15 4.11 -1.26 -1.92 117.16 119.14 2wka n TYR 84 Ca 0.21 0.29 0.11 0.00 -0.00 0.00 0.00 57.90 58.52 2wka n TYR 84 Cb 0.57 -0.98 0.05 0.00 -0.00 0.00 0.00 39.34 38.99 2wka n TYR 84 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2wka n ASP 85 N -2.19 0.67 -4.73 9.48 8.00 0.10 -4.94 116.55 122.94 2wka n ASP 85 Ca 0.02 -0.42 -0.41 0.00 0.71 0.00 0.00 54.79 54.69 2wka n ASP 85 Cb 0.23 0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 41.99 2wka n ASP 85 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wka s LYS 86 N -3.09 4.73 0.32 -1.24 1.02 -0.81 -4.92 119.74 115.75 2wka s LYS 86 Ca 0.07 1.49 -0.27 0.00 0.02 0.00 0.00 55.97 57.27 2wka s LYS 86 Cb 0.16 -3.34 -0.09 0.00 -0.52 0.00 0.00 37.83 34.03 2wka s LYS 86 CO 0.79 0.28 1.07 -1.25 -0.92 0.00 0.00 175.35 175.31 2wka s PRO 87 N -0.33 4.47 0.59 -1.68 0.04 -1.26 -4.92 135.00 131.92 2wka s PRO 87 Ca 0.46 1.66 0.30 0.00 0.04 0.00 0.00 61.00 63.46 2wka s PRO 87 Cb -0.25 -2.94 1.75 0.00 0.04 0.00 0.00 34.50 33.11 2wka s PRO 87 CO 0.31 0.10 2.17 1.98 0.04 0.00 0.00 177.00 181.60 2wka h MET 88 N 3.32 0.00 -0.22 4.56 4.05 -1.95 -1.75 114.93 122.94 2wka h MET 88 Ca -0.47 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.01 2wka h MET 88 Cb 1.21 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2wka h MET 88 CO 0.65 0.00 0.19 0.97 0.23 0.00 0.00 176.91 178.95 2wka h ILE 89 N 0.00 0.67 -0.15 1.77 6.09 -1.91 -1.34 117.51 122.64 2wka h ILE 89 Ca 0.05 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 63.45 2wka h ILE 89 Cb 0.28 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 2wka h ILE 89 CO -0.00 0.00 -0.25 -0.33 -3.07 0.00 0.00 178.15 174.50 2wka h GLU 90 N 0.00 0.43 -0.81 2.19 5.08 -1.64 -0.06 114.58 119.77 2wka h GLU 90 Ca 0.10 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2wka h GLU 90 Cb 0.47 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2wka h GLU 90 CO -0.00 0.86 0.35 0.87 -1.00 0.00 0.00 179.01 180.09 2wka h LYS 91 N 0.05 1.18 -0.22 2.33 6.56 -1.53 -1.08 116.57 123.85 2wka h LYS 91 Ca 0.01 -0.19 -0.04 0.00 -1.06 0.00 0.00 60.65 59.37 2wka h LYS 91 Cb 0.83 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 2wka h LYS 91 CO 0.06 0.93 -0.02 0.00 -2.06 0.00 0.00 179.45 178.36 2wka h ARG 92 N 1.16 0.40 -0.38 3.15 2.47 -1.16 -1.82 114.38 118.20 2wka h ARG 92 Ca 0.27 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.81 2wka h ARG 92 Cb 0.17 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 2wka h ARG 92 CO -0.03 0.61 0.06 -0.07 0.56 0.00 0.00 179.97 181.10 2wka h LEU 93 N 0.15 0.53 0.61 3.04 3.38 -0.90 0.33 115.31 122.45 2wka h LEU 93 Ca 0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2wka h LEU 93 Cb 0.44 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wka h LEU 93 CO 0.01 0.57 -0.29 0.00 0.09 0.00 0.00 178.44 178.82 2wka h ALA 94 N 1.51 -0.82 -0.76 1.53 0.00 -1.05 -2.06 119.26 117.60 2wka h ALA 94 Ca 0.13 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2wka h ALA 94 Cb 0.27 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2wka h ALA 94 CO 0.00 -0.90 0.33 -0.22 0.00 0.00 0.00 179.25 178.46 2wka h LYS 95 N -0.95 0.47 -0.25 0.00 3.64 -1.23 -0.21 116.57 118.04 2wka h LYS 95 Ca -0.08 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2wka h LYS 95 Cb 0.67 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 2wka h LYS 95 CO 0.14 0.31 -0.19 0.35 -2.27 0.00 0.00 179.45 177.79 2wka h PHE 96 N 0.48 -0.48 0.00 1.91 3.57 -0.79 -3.07 116.94 118.57 2wka h PHE 96 Ca 0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2wka h PHE 96 Cb 0.61 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2wka h PHE 96 CO -0.15 -0.26 -0.56 1.79 -2.23 0.00 0.00 178.31 176.90 2wka h THR 97 N -0.18 0.00 0.00 4.41 1.35 -0.92 -3.44 112.91 114.12 2wka h THR 97 Ca 0.14 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2wka h THR 97 Cb 0.39 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2wka h THR 97 CO -0.35 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.53 2wka n GLY 98 N 1.23 0.72 3.85 5.82 0.00 -0.13 -4.80 105.19 111.89 2wka n GLY 98 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2wka n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wka s PHE 99 N -2.77 3.51 0.14 1.61 0.40 -1.12 -4.86 117.98 114.90 2wka s PHE 99 Ca 0.00 1.38 -0.13 0.00 -0.60 0.00 0.00 56.93 57.58 2wka s PHE 99 Cb 0.00 -2.77 -0.00 0.00 0.51 0.00 0.00 43.02 40.76 2wka s PHE 99 CO 0.00 -0.58 1.59 -0.44 0.70 0.00 0.00 175.22 176.49 2wka h ASP 100 N 0.24 0.77 -4.48 1.36 3.32 -1.82 -3.39 116.42 112.43 2wka h ASP 100 Ca -0.45 -0.31 -0.16 0.00 0.02 0.00 0.00 57.03 56.13 2wka h ASP 100 Cb 1.19 -0.21 -0.23 0.00 0.22 0.00 0.00 39.33 40.30 2wka h ASP 100 CO 0.61 0.89 -0.49 -1.61 -1.72 0.00 0.00 179.24 176.93 2wka s GLU 101 N -5.01 0.37 0.05 3.56 2.02 -0.66 -4.91 118.70 114.12 2wka s GLU 101 Ca -0.13 -0.12 0.05 0.00 0.02 0.00 0.00 54.97 54.80 2wka s GLU 101 Cb 0.11 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 2wka s GLU 101 CO 0.81 -0.08 -0.15 0.00 0.02 0.00 0.00 175.26 175.86 2wka s LEU 103 N -1.24 1.19 0.30 0.00 2.96 0.97 -4.81 118.68 118.05 2wka s LEU 103 Ca 0.02 -0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 53.50 2wka s LEU 103 Cb -0.08 -0.49 -0.09 0.00 0.50 0.00 0.00 46.19 46.03 2wka s LEU 103 CO 0.01 -0.08 1.11 -0.22 -1.32 0.00 0.00 176.35 175.86 2wka s LEU 104 N 1.16 4.48 0.26 -0.68 2.96 -1.26 -1.02 118.68 124.58 2wka s LEU 104 Ca -0.07 2.28 0.03 0.00 -0.22 0.00 0.00 54.13 56.15 2wka s LEU 104 Cb -0.14 -3.71 -0.05 0.00 0.50 0.00 0.00 46.19 42.78 2wka s LEU 104 CO -0.01 -0.24 0.05 -0.55 -1.32 0.00 0.00 176.35 174.27 2wka s SER 105 N -0.94 1.68 0.11 3.68 0.15 0.26 -4.92 113.70 113.73 2wka s SER 105 Ca 0.47 -1.31 0.27 0.00 0.70 0.00 0.00 55.95 56.08 2wka s SER 105 Cb -0.31 0.05 1.01 0.00 -1.71 0.00 0.00 66.02 65.06 2wka s SER 105 CO 0.40 -0.62 1.85 0.00 1.20 0.00 0.00 173.24 176.07 2wka n GLN 106 N -0.48 0.14 -3.56 5.44 3.00 -1.26 -1.65 117.38 118.99 2wka n GLN 106 Ca -0.03 0.12 -0.06 0.00 -0.01 0.00 0.00 57.00 57.02 2wka n GLN 106 Cb 0.65 -1.66 -0.02 0.00 0.00 0.00 0.00 30.24 29.21 2wka n GLN 106 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2wka s SER 107 N -3.81 -0.22 0.36 1.08 1.04 -1.26 -3.48 113.70 107.41 2wka s SER 107 Ca 0.12 -0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.59 2wka s SER 107 Cb 0.15 0.23 0.68 0.00 0.10 0.00 0.00 66.02 67.19 2wka s SER 107 CO 0.56 -0.38 1.98 1.23 0.98 0.00 0.00 173.24 177.61 2wka h GLY 108 N 2.00 0.70 0.85 7.32 0.00 -1.77 -1.81 103.07 110.37 2wka h GLY 108 Ca -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wka h GLY 108 CO 0.26 0.30 -0.15 -0.25 0.00 0.00 0.00 176.54 176.70 2wka h TRP 109 N 0.66 -0.39 -0.22 5.60 2.91 -1.93 -1.82 115.95 120.78 2wka h TRP 109 Ca 0.17 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.14 2wka h TRP 109 Cb 0.06 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 2wka h TRP 109 CO 0.00 -0.23 -0.09 -0.91 -1.03 0.00 0.00 178.44 176.19 2wka h ASN 110 N -0.34 0.32 -0.42 2.65 4.21 -1.89 -1.36 115.58 118.75 2wka h ASN 110 Ca -0.01 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.42 2wka h ASN 110 Cb 0.31 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 2wka h ASN 110 CO -0.02 0.45 0.18 0.00 -1.29 0.00 0.00 177.43 176.75 2wka h ALA 111 N 1.59 0.54 -0.17 -0.83 0.00 -1.04 0.10 119.26 119.46 2wka h ALA 111 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2wka h ALA 111 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wka h ALA 111 CO 0.02 0.13 -0.01 -0.91 0.00 0.00 0.00 179.25 178.48 2wka h ASN 112 N 0.53 0.31 -0.74 0.00 2.35 -0.92 -1.47 115.58 115.65 2wka h ASN 112 Ca 0.14 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 2wka h ASN 112 Cb 0.17 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 2wka h ASN 112 CO -0.01 0.57 0.33 0.58 -1.65 0.00 0.00 177.43 177.25 2wka h VAL 113 N 0.05 1.24 -0.23 2.81 2.07 -1.24 -1.96 116.25 119.00 2wka h VAL 113 Ca 0.05 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 2wka h VAL 113 Cb 0.42 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2wka h VAL 113 CO 0.01 0.30 -0.12 1.23 0.02 0.00 0.00 177.57 179.01 2wka h GLY 114 N 1.04 0.52 0.89 2.17 0.00 -0.76 -1.72 103.07 105.21 2wka h GLY 114 Ca 0.25 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2wka h GLY 114 CO -0.03 0.43 0.00 -2.00 0.00 0.00 0.00 176.54 174.95 2wka h LEU 115 N 0.19 0.01 -0.92 3.11 5.85 -1.21 -2.33 115.31 120.00 2wka h LEU 115 Ca 0.05 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2wka h LEU 115 Cb 0.62 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2wka h LEU 115 CO 0.03 0.12 0.61 -0.07 -0.34 0.00 0.00 178.44 178.79 2wka h LEU 116 N -0.10 1.03 -1.10 2.25 3.38 -1.37 -1.35 115.31 118.05 2wka h LEU 116 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wka h LEU 116 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2wka h LEU 116 CO -0.00 0.73 0.49 -0.61 0.09 0.00 0.00 178.44 179.13 2wka h GLN 117 N 1.21 1.10 -0.33 1.13 4.15 -1.20 -1.01 115.11 120.17 2wka h GLN 117 Ca 0.35 -0.10 -0.16 0.00 0.77 0.00 0.00 58.65 59.51 2wka h GLN 117 Cb -0.07 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.38 2wka h GLN 117 CO -0.10 0.77 -0.43 1.15 -1.93 0.00 0.00 178.83 178.30 2wka h THR 118 N 1.12 1.28 -0.01 2.39 2.02 -0.71 -3.30 112.91 115.70 2wka h THR 118 Ca 0.29 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2wka h THR 118 Cb -0.04 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2wka h THR 118 CO -0.05 0.53 -0.59 2.30 0.37 0.00 0.00 175.52 178.07 2wka n ILE 119 N -4.03 0.00 -4.03 3.11 -5.35 -0.67 -4.93 119.36 103.45 2wka n ILE 119 Ca -0.03 -0.15 -0.34 0.00 -0.27 0.00 0.00 62.75 61.97 2wka n ILE 119 Cb 0.56 0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 39.38 2wka n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wka s GLN 121 N -1.68 2.20 0.46 0.00 -1.52 -1.26 -4.89 119.66 112.97 2wka s GLN 121 Ca 0.23 -1.73 0.17 0.00 -1.95 0.00 0.00 55.36 52.08 2wka s GLN 121 Cb -0.12 -2.01 1.14 0.00 -0.22 0.00 0.00 33.01 31.80 2wka s GLN 121 CO 0.14 0.05 1.98 -1.35 -0.25 0.00 0.00 175.29 175.86 2wka h PRO 122 N 1.62 0.27 0.00 2.91 0.11 -1.79 -0.86 132.00 134.26 2wka h PRO 122 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wka h PRO 122 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wka h PRO 122 CO 0.67 0.18 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 2wka n ASN 123 N -4.45 0.00 -4.70 -2.05 0.23 -1.26 -4.00 115.26 99.02 2wka n ASN 123 Ca 0.10 0.41 -0.42 0.00 -0.53 0.00 0.00 54.58 54.14 2wka n ASN 123 Cb 0.45 -0.46 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 2wka n ASN 123 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2wka s THR 124 N -2.93 2.93 -0.01 5.53 2.01 -0.33 -4.49 115.64 118.35 2wka s THR 124 Ca 0.11 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 2wka s THR 124 Cb 0.13 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 2wka s THR 124 CO 0.36 0.02 1.38 0.20 -0.69 0.00 0.00 174.62 175.89 2wka s ASN 125 N 1.66 6.87 -0.24 3.53 0.01 -1.26 -0.62 114.94 124.89 2wka s ASN 125 Ca 0.70 2.07 0.02 0.00 -0.71 0.00 0.00 52.86 54.94 2wka s ASN 125 Cb -0.41 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 38.75 2wka s ASN 125 CO 0.31 -0.71 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.42 2wka s VAL 126 N 2.45 1.83 -0.53 1.60 1.01 -0.49 -0.49 120.40 125.78 2wka s VAL 126 Ca 0.63 -1.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2wka s VAL 126 Cb -0.30 -2.00 0.09 0.00 0.00 0.00 0.00 36.38 34.17 2wka s VAL 126 CO 0.26 -0.04 0.57 -0.31 0.00 0.00 0.00 175.10 175.58 2wka s TYR 127 N 1.27 3.11 -0.11 5.22 2.02 0.20 0.18 117.35 129.24 2wka s TYR 127 Ca -0.07 -0.90 0.02 0.00 -0.37 0.00 0.00 57.07 55.75 2wka s TYR 127 Cb -0.19 -3.66 -0.01 0.00 -0.40 0.00 0.00 41.96 37.70 2wka s TYR 127 CO -0.06 -1.06 -0.17 -1.50 -1.57 0.00 0.00 175.55 171.19 2wka s ILE 128 N 2.23 2.72 0.29 2.71 2.07 -1.01 -0.34 121.20 129.87 2wka s ILE 128 Ca 0.09 -0.79 -0.30 0.00 -1.41 0.00 0.00 60.65 58.24 2wka s ILE 128 Cb -0.24 -2.10 -0.12 0.00 0.13 0.00 0.00 42.46 40.13 2wka s ILE 128 CO 0.07 0.54 1.54 -0.67 -1.91 0.00 0.00 174.94 174.52 2wka n ASP 129 N 3.33 3.58 -0.32 4.50 -0.08 -0.82 -1.46 116.55 125.29 2wka n ASP 129 Ca -0.18 1.15 0.26 0.00 -1.51 0.00 0.00 54.79 54.51 2wka n ASP 129 Cb 0.53 -1.56 0.58 0.00 2.34 0.00 0.00 41.12 43.01 2wka n ASP 129 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2wka h PHE 130 N 4.49 0.48 -0.60 -0.67 -1.00 -1.31 -0.55 116.94 117.77 2wka h PHE 130 Ca -0.47 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.33 2wka h PHE 130 Cb 1.24 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.66 2wka h PHE 130 CO 0.57 0.03 0.00 1.19 -1.61 0.00 0.00 178.31 178.49 2wka n PHE 131 N -4.52 0.79 -1.25 -0.55 3.72 -1.26 -4.98 117.46 109.42 2wka n PHE 131 Ca 0.26 -0.39 -0.35 0.00 -0.05 0.00 0.00 57.45 56.91 2wka n PHE 131 Cb 0.99 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.61 2wka n PHE 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wka n ALA 132 N 1.50 -0.91 -1.75 4.37 0.00 -0.22 -4.76 120.51 118.74 2wka n ALA 132 Ca 0.22 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 2wka n ALA 132 Cb 0.59 -2.00 0.05 0.00 0.00 0.00 0.00 19.45 18.09 2wka n ALA 132 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wka s HIS 133 N -1.93 2.24 0.36 0.00 2.46 -1.26 -4.78 115.29 112.38 2wka s HIS 133 Ca 0.69 1.40 0.09 0.00 0.47 0.00 0.00 55.06 57.71 2wka s HIS 133 Cb -0.33 -3.77 0.82 0.00 -0.13 0.00 0.00 32.58 29.17 2wka s HIS 133 CO 0.55 -2.90 1.87 1.98 -2.47 0.00 0.00 174.74 173.78 2wka h MET 134 N 1.27 0.66 -0.09 2.88 4.05 -1.97 -0.40 114.93 121.33 2wka h MET 134 Ca -0.51 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 58.89 2wka h MET 134 Cb 1.31 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.95 2wka h MET 134 CO 0.56 0.44 0.06 0.66 0.23 0.00 0.00 176.91 178.86 2wka h SER 135 N 0.68 0.03 0.00 1.39 4.64 -1.94 0.24 113.55 118.60 2wka h SER 135 Ca 0.44 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.61 2wka h SER 135 Cb 0.70 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2wka h SER 135 CO -0.20 0.02 -0.57 -0.07 -0.87 0.00 0.00 176.83 175.14 2wka h LEU 136 N 0.04 0.50 -0.29 5.97 3.38 -1.41 0.63 115.31 124.12 2wka h LEU 136 Ca 0.04 -0.77 0.05 0.00 0.09 0.00 0.00 57.88 57.29 2wka h LEU 136 Cb 0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2wka h LEU 136 CO -0.00 1.20 0.03 -0.50 0.09 0.00 0.00 178.44 179.26 2wka h TRP 137 N -0.15 0.04 -0.37 1.13 4.06 -1.23 -2.01 115.95 117.41 2wka h TRP 137 Ca -0.07 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.84 2wka h TRP 137 Cb 1.29 0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.47 2wka h TRP 137 CO 0.15 -0.02 -0.00 0.93 -3.56 0.00 0.00 178.44 175.95 2wka h GLU 138 N 0.12 0.66 -0.73 0.49 4.39 -0.58 -1.82 114.58 117.12 2wka h GLU 138 Ca 0.14 -0.21 0.15 0.00 0.34 0.00 0.00 59.36 59.77 2wka h GLU 138 Cb 0.16 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 2wka h GLU 138 CO -0.21 0.76 0.24 0.78 -1.16 0.00 0.00 179.01 179.42 2wka h GLY 139 N 0.48 1.06 1.02 -3.84 0.00 -0.76 0.22 103.07 101.25 2wka h GLY 139 Ca 0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2wka h GLY 139 CO 0.02 -0.14 0.05 0.00 0.00 0.00 0.00 176.54 176.46 2wka h ALA 140 N 1.57 0.73 -0.53 3.60 0.00 -1.15 -2.74 119.26 120.74 2wka h ALA 140 Ca 0.41 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2wka h ALA 140 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2wka h ALA 140 CO -0.45 0.51 -0.06 -0.09 0.00 0.00 0.00 179.25 179.17 2wka h ARG 141 N 0.81 0.98 -0.17 0.00 2.43 -0.40 -1.95 114.38 116.08 2wka h ARG 141 Ca 0.16 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 2wka h ARG 141 Cb 0.47 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2wka h ARG 141 CO 0.02 1.01 0.00 1.88 -1.51 0.00 0.00 179.97 181.37 2wka h TYR 142 N 0.85 0.24 -0.03 2.20 0.05 -0.58 -1.60 116.97 118.10 2wka h TYR 142 Ca 0.14 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2wka h TYR 142 Cb 0.61 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2wka h TYR 142 CO 0.04 0.25 0.00 0.00 -1.05 0.00 0.00 178.16 177.41 2wka n ALA 143 N -2.50 2.61 -2.45 3.88 0.00 -0.99 -4.92 120.51 116.14 2wka n ALA 143 Ca -0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 53.44 52.92 2wka n ALA 143 Cb 0.17 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 2wka n ALA 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wka n ASN 144 N -0.29 -5.07 -4.78 0.00 4.13 -0.60 -3.98 115.26 104.67 2wka n ASN 144 Ca 0.20 0.06 -0.30 0.00 1.68 0.00 0.00 54.58 56.21 2wka n ASN 144 Cb 0.24 -4.24 0.10 0.00 -1.54 0.00 0.00 39.78 34.34 2wka n ASN 144 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wka s ALA 145 N -2.87 2.11 -0.55 5.41 0.00 -0.77 -4.51 121.76 120.58 2wka s ALA 145 Ca 0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 2wka s ALA 145 Cb -0.01 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 20.05 2wka s ALA 145 CO 0.02 -1.85 0.68 -1.14 0.00 0.00 0.00 175.76 173.47 2wka s GLN 146 N -5.08 3.09 0.06 0.00 2.00 0.21 -4.81 119.66 115.13 2wka s GLN 146 Ca 0.61 -1.07 -0.28 0.00 -2.00 0.00 0.00 55.36 52.62 2wka s GLN 146 Cb -0.15 -4.18 -0.05 0.00 0.80 0.00 0.00 33.01 29.43 2wka s GLN 146 CO 0.55 -1.39 0.90 0.00 -0.50 0.00 0.00 175.29 174.84 2wka s ALA 147 N 2.73 3.27 -0.33 1.58 0.00 -1.26 -1.39 121.76 126.36 2wka s ALA 147 Ca 0.14 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.58 2wka s ALA 147 Cb -0.21 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 19.81 2wka s ALA 147 CO 0.09 -0.05 0.07 -1.01 0.00 0.00 0.00 175.76 174.87 2wka s HIS 148 N 0.24 2.98 0.29 0.00 0.09 0.13 -4.92 115.29 114.10 2wka s HIS 148 Ca 0.45 -2.53 -0.29 0.00 -0.00 0.00 0.00 55.06 52.69 2wka s HIS 148 Cb -0.22 -2.46 -0.10 0.00 -0.00 0.00 0.00 32.58 29.80 2wka s HIS 148 CO 0.27 -0.92 1.18 -1.25 -0.00 0.00 0.00 174.74 174.02 2wka s PRO 149 N 1.16 4.53 0.10 8.40 0.04 -1.26 -2.40 135.00 145.56 2wka s PRO 149 Ca 0.11 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.16 2wka s PRO 149 Cb -0.18 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2wka s PRO 149 CO -0.14 0.05 -0.03 -0.59 0.04 0.00 0.00 177.00 176.33 2wka s PHE 150 N -1.06 2.92 0.36 0.56 -0.12 -0.53 -4.91 117.98 115.20 2wka s PHE 150 Ca 0.47 -0.06 -0.28 0.00 -0.05 0.00 0.00 56.93 57.00 2wka s PHE 150 Cb -0.35 -1.50 -0.12 0.00 -0.63 0.00 0.00 43.02 40.42 2wka s PHE 150 CO 0.45 0.47 1.40 -1.33 -0.05 0.00 0.00 175.22 176.16 2wka n MET 151 N 0.57 2.42 -1.67 1.99 2.81 -1.26 -0.90 117.12 121.08 2wka n MET 151 Ca -0.11 0.85 -0.64 0.00 -1.81 0.00 0.00 57.70 55.99 2wka n MET 151 Cb 0.52 -2.51 -0.09 0.00 -0.71 0.00 0.00 33.22 30.43 2wka n MET 151 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 2wka n HIS 152 N 0.47 1.47 -1.42 2.03 -0.00 -1.26 -0.69 115.22 115.82 2wka n HIS 152 Ca 0.03 1.04 -0.15 0.00 0.46 0.00 0.00 57.72 59.10 2wka n HIS 152 Cb 0.37 -2.22 -0.06 0.00 -0.12 0.00 0.00 29.99 27.96 2wka n HIS 152 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2wka n ASN 153 N 3.39 -4.48 -4.32 0.26 3.02 -1.26 -4.91 115.26 106.96 2wka n ASN 153 Ca 0.27 0.37 -0.46 0.00 -0.03 0.00 0.00 54.58 54.73 2wka n ASN 153 Cb 0.01 -3.90 -0.04 0.00 -0.61 0.00 0.00 39.78 35.23 2wka n ASN 153 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2wka s ASN 154 N -2.35 6.34 0.29 6.41 3.84 0.14 -4.84 114.94 124.77 2wka s ASN 154 Ca 0.00 -1.99 0.12 0.00 0.21 0.00 0.00 52.86 51.20 2wka s ASN 154 Cb 0.00 -2.22 0.41 0.00 -0.55 0.00 0.00 41.25 38.89 2wka s ASN 154 CO 0.00 -0.81 1.63 0.00 -2.79 0.00 0.00 177.10 175.13 2wka h ASP 156 N 0.00 0.44 -0.64 0.00 3.32 -1.98 -1.04 116.42 116.53 2wka h ASP 156 Ca -0.01 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 2wka h ASP 156 Cb 1.06 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 2wka h ASP 156 CO 0.07 0.49 0.28 -0.74 -1.72 0.00 0.00 179.24 177.62 2wka h HIS 157 N 0.36 0.95 -0.10 4.55 2.76 -1.89 -2.61 115.15 119.15 2wka h HIS 157 Ca 0.10 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2wka h HIS 157 Cb 0.19 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 2wka h HIS 157 CO -0.00 0.74 0.04 1.25 -1.30 0.00 0.00 177.93 178.66 2wka h LEU 158 N 0.89 0.06 -0.61 0.26 5.85 -1.24 -1.84 115.31 118.69 2wka h LEU 158 Ca 0.22 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.04 2wka h LEU 158 Cb 0.17 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 2wka h LEU 158 CO -0.02 0.05 0.21 0.03 -0.34 0.00 0.00 178.44 178.37 2wka h ARG 159 N 0.10 0.37 -0.81 1.25 3.08 -1.05 -0.75 114.38 116.57 2wka h ARG 159 Ca 0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2wka h ARG 159 Cb 0.01 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2wka h ARG 159 CO -0.04 0.24 0.42 0.52 -1.07 0.00 0.00 179.97 180.05 2wka h MET 160 N 0.38 1.15 -0.37 0.04 2.86 -1.11 -0.25 114.93 117.62 2wka h MET 160 Ca 0.31 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2wka h MET 160 Cb 0.41 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2wka h MET 160 CO -0.33 0.86 0.05 -0.07 1.06 0.00 0.00 176.91 178.48 2wka h LEU 161 N 1.15 0.59 -0.46 1.22 3.38 -0.47 -2.50 115.31 118.22 2wka h LEU 161 Ca 0.28 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2wka h LEU 161 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2wka h LEU 161 CO -0.04 0.71 -0.13 0.40 0.09 0.00 0.00 178.44 179.47 2wka h ILE 162 N 0.46 1.27 -0.52 1.22 2.04 -0.83 -1.32 117.51 119.83 2wka h ILE 162 Ca 0.11 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.79 2wka h ILE 162 Cb 0.37 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2wka h ILE 162 CO 0.01 0.43 0.35 -0.61 0.00 0.00 0.00 178.15 178.33 2wka h GLN 163 N 0.73 0.39 0.22 2.37 5.75 -1.00 -0.28 115.11 123.29 2wka h GLN 163 Ca 0.11 -0.02 -0.33 0.00 -0.15 0.00 0.00 58.65 58.26 2wka h GLN 163 Cb 0.68 -0.09 0.03 0.00 1.07 0.00 0.00 27.48 29.17 2wka h GLN 163 CO 0.05 0.26 -1.48 -0.09 -2.65 0.00 0.00 178.83 174.92 2wka h ARG 164 N 0.40 0.48 0.00 1.69 9.65 -0.97 -3.41 114.38 122.22 2wka h ARG 164 Ca 0.23 -0.81 -0.03 0.00 -1.10 0.00 0.00 59.98 58.27 2wka h ARG 164 Cb 0.39 0.30 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2wka h ARG 164 CO -0.06 1.39 -1.75 0.72 2.80 0.00 0.00 179.97 183.07 2wka n HIS 165 N -3.66 0.00 0.00 2.20 8.25 -0.54 -5.12 115.22 116.35 2wka n HIS 165 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2wka n HIS 165 Cb 1.09 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.80 2wka n HIS 165 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wka n GLY 166 N 1.66 1.18 3.48 -1.41 0.00 -0.15 -4.99 105.19 104.97 2wka n GLY 166 Ca -0.05 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 2wka n GLY 166 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wka n PRO 167 N 0.04 0.71 -0.77 1.61 -0.02 -1.26 -4.81 135.00 130.48 2wka n PRO 167 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2wka n PRO 167 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2wka n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wka n GLY 168 N 1.66 2.05 3.56 -1.23 0.00 -1.26 -4.46 105.19 105.50 2wka n GLY 168 Ca 0.12 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2wka n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wka s ILE 169 N -2.85 4.98 -0.16 -0.61 1.01 0.35 -1.63 121.20 122.30 2wka s ILE 169 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 2wka s ILE 169 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 2wka s ILE 169 CO 0.00 0.30 0.58 -0.63 0.00 0.00 0.00 174.94 175.19 2wka s ILE 170 N 1.55 5.08 -0.15 2.92 1.01 0.25 0.59 121.20 132.46 2wka s ILE 170 Ca 0.07 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2wka s ILE 170 Cb -0.15 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.44 2wka s ILE 170 CO 0.07 0.20 -0.13 -0.69 0.00 0.00 0.00 174.94 174.39 2wka s VAL 171 N 1.39 1.48 0.09 2.92 1.01 0.54 -0.82 120.40 127.01 2wka s VAL 171 Ca 0.28 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2wka s VAL 171 Cb -0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2wka s VAL 171 CO 0.11 0.42 -0.01 0.68 0.00 0.00 0.00 175.10 176.30 2wka s VAL 172 N 1.52 0.29 0.18 2.92 -7.23 -0.76 -1.94 120.40 115.40 2wka s VAL 172 Ca 0.05 -1.87 -0.17 0.00 -1.81 0.00 0.00 61.98 58.18 2wka s VAL 172 Cb -0.13 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 34.99 2wka s VAL 172 CO -0.10 -0.78 0.63 -1.81 -0.31 0.00 0.00 175.10 172.73 2wka s ASP 173 N -3.00 6.93 -0.03 4.85 1.11 -1.26 -0.96 116.67 124.32 2wka s ASP 173 Ca 0.14 1.24 -0.25 0.00 0.18 0.00 0.00 52.55 53.85 2wka s ASP 173 Cb 0.07 -2.35 -0.20 0.00 1.07 0.00 0.00 42.92 41.51 2wka s ASP 173 CO -0.05 0.07 1.20 0.77 1.18 0.00 0.00 175.17 178.34 2wka h SER 174 N 3.49 0.07 -3.26 0.27 4.64 -1.23 -3.38 113.55 114.14 2wka h SER 174 Ca -0.48 -0.57 -0.65 0.00 -0.47 0.00 0.00 61.79 59.61 2wka h SER 174 Cb 1.19 -0.02 -0.34 0.00 -0.31 0.00 0.00 62.40 62.93 2wka h SER 174 CO 0.65 0.63 -0.86 -0.63 -0.87 0.00 0.00 176.83 175.75 2wka s ILE 175 N -3.93 1.92 0.17 0.95 1.01 -1.26 -0.81 121.20 119.24 2wka s ILE 175 Ca -0.16 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 2wka s ILE 175 Cb 0.02 -1.69 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 2wka s ILE 175 CO 0.69 0.52 0.96 -0.31 0.00 0.00 0.00 174.94 176.81 2wka s TYR 176 N 0.70 3.88 0.26 3.97 2.02 -0.24 -4.54 117.35 123.39 2wka s TYR 176 Ca -0.11 1.84 0.12 0.00 -0.37 0.00 0.00 57.07 58.56 2wka s TYR 176 Cb -0.16 -3.03 0.43 0.00 -0.40 0.00 0.00 41.96 38.80 2wka s TYR 176 CO 0.02 0.28 1.64 0.66 -1.57 0.00 0.00 175.55 176.58 2wka h SER 177 N 4.90 0.00 0.03 2.29 4.64 -1.91 -0.01 113.55 123.48 2wka h SER 177 Ca -0.44 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.56 2wka h SER 177 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 2wka h SER 177 CO 0.70 0.56 -1.78 0.35 -0.87 0.00 0.00 176.83 175.79 2wka n THR 178 N -3.77 1.58 0.77 2.95 -2.24 -1.26 -4.64 114.28 107.68 2wka n THR 178 Ca -0.01 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.57 2wka n THR 178 Cb 0.59 -1.90 -0.08 0.00 -2.10 0.00 0.00 70.33 66.84 2wka n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wka n LEU 179 N -4.11 0.87 -0.73 3.22 4.77 -1.25 -4.22 117.00 115.55 2wka n LEU 179 Ca -0.38 -0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 54.98 2wka n LEU 179 Cb 0.83 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 2wka n LEU 179 CO 0.21 0.21 -0.09 0.61 -1.33 0.00 0.00 177.39 177.00 2wka n GLY 180 N 1.37 0.90 3.81 -0.72 0.00 -0.02 -2.97 105.19 107.56 2wka n GLY 180 Ca 0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 2wka n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wka s THR 181 N -2.35 3.69 -0.11 2.61 -4.23 -1.26 -1.20 115.64 112.79 2wka s THR 181 Ca 0.00 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 2wka s THR 181 Cb 0.00 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 2wka s THR 181 CO 0.00 -0.72 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.66 2wka s ILE 182 N -3.07 3.65 0.49 2.99 1.01 -1.26 -1.08 121.20 123.93 2wka s ILE 182 Ca 0.59 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 2wka s ILE 182 Cb -0.14 -2.53 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 2wka s ILE 182 CO 0.55 0.55 1.20 0.00 0.00 0.00 0.00 174.94 177.24 2wka s ALA 183 N -0.21 2.90 -1.26 9.38 0.00 0.01 -4.90 121.76 127.68 2wka s ALA 183 Ca 0.03 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 2wka s ALA 183 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2wka s ALA 183 CO 0.03 -0.83 1.94 -0.35 0.00 0.00 0.00 175.76 176.55 2wka n PRO 184 N -0.72 2.61 -0.22 0.00 -0.04 -1.26 -4.79 135.00 130.58 2wka n PRO 184 Ca 0.09 -2.76 -0.09 0.00 -0.04 0.00 0.00 63.50 60.70 2wka n PRO 184 Cb 0.48 -3.40 0.03 0.00 -0.04 0.00 0.00 33.50 30.57 2wka n PRO 184 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wka h LEU 185 N 12.83 1.04 -0.77 1.53 3.38 -1.95 -1.88 115.31 129.49 2wka h LEU 185 Ca 0.44 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2wka h LEU 185 Cb 0.79 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2wka h LEU 185 CO 1.62 1.07 0.50 0.00 0.09 0.00 0.00 178.44 181.72 2wka h ALA 186 N 1.00 0.97 -0.24 1.53 0.00 -1.98 -1.21 119.26 119.34 2wka h ALA 186 Ca 0.18 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2wka h ALA 186 Cb 0.52 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wka h ALA 186 CO 0.02 0.39 -0.59 1.49 0.00 0.00 0.00 179.25 180.57 2wka h GLU 187 N 1.04 0.76 -0.99 0.00 4.81 -1.94 -2.25 114.58 116.01 2wka h GLU 187 Ca 0.28 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 2wka h GLU 187 Cb -0.11 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 2wka h GLU 187 CO -0.06 1.13 0.65 -0.07 -0.73 0.00 0.00 179.01 179.93 2wka h LEU 188 N 0.58 1.10 -0.64 1.64 3.38 -1.10 0.56 115.31 120.82 2wka h LEU 188 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2wka h LEU 188 Cb 1.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2wka h LEU 188 CO 0.12 0.76 0.33 0.58 0.09 0.00 0.00 178.44 180.33 2wka h VAL 189 N 1.28 1.21 -0.69 1.22 2.07 -1.05 0.85 116.25 121.14 2wka h VAL 189 Ca 0.39 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2wka h VAL 189 Cb -0.04 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2wka h VAL 189 CO -0.11 0.24 0.27 0.78 0.02 0.00 0.00 177.57 178.77 2wka h ASN 190 N 0.88 0.96 -0.50 0.57 2.35 -0.70 -1.28 115.58 117.86 2wka h ASN 190 Ca 0.22 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2wka h ASN 190 Cb 0.08 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2wka h ASN 190 CO -0.03 0.87 0.13 0.40 -1.65 0.00 0.00 177.43 177.15 2wka h ILE 191 N 0.98 1.24 -0.30 2.81 2.04 -0.73 0.55 117.51 124.11 2wka h ILE 191 Ca 0.23 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.31 2wka h ILE 191 Cb 0.21 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2wka h ILE 191 CO -0.02 0.30 0.02 -1.28 0.00 0.00 0.00 178.15 177.17 2wka h SER 192 N 0.69 -0.08 -0.55 1.72 0.87 -0.52 -1.36 113.55 114.32 2wka h SER 192 Ca 0.16 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 2wka h SER 192 Cb 0.32 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2wka h SER 192 CO -0.00 -0.01 0.01 0.11 -0.53 0.00 0.00 176.83 176.41 2wka h LYS 193 N 0.11 0.99 -0.60 2.24 1.57 -1.06 -0.62 116.57 119.19 2wka h LYS 193 Ca 0.14 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2wka h LYS 193 Cb 0.18 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2wka h LYS 193 CO -0.22 0.97 0.14 1.49 -0.57 0.00 0.00 179.45 181.26 2wka h GLU 194 N 0.91 0.94 -0.25 3.15 4.81 -0.12 -3.23 114.58 120.80 2wka h GLU 194 Ca 0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wka h GLU 194 Cb 0.52 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2wka h GLU 194 CO 0.03 0.84 0.00 1.19 -0.73 0.00 0.00 179.01 180.34 2wka n PHE 195 N -4.25 0.31 -3.09 0.92 3.01 -0.59 -4.99 117.46 108.78 2wka n PHE 195 Ca 0.04 -0.22 -0.14 0.00 1.01 0.00 0.00 57.45 58.14 2wka n PHE 195 Cb 0.24 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 39.76 2wka n PHE 195 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wka n GLY 196 N 0.98 0.01 4.02 1.37 0.00 -0.78 -4.43 105.19 106.36 2wka n GLY 196 Ca 0.13 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 2wka n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wka s ALA 198 N -2.53 2.99 -0.14 0.00 0.00 -0.65 -4.74 121.76 116.70 2wka s ALA 198 Ca 0.58 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 2wka s ALA 198 Cb -0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2wka s ALA 198 CO 0.36 0.62 -0.01 -1.17 0.00 0.00 0.00 175.76 175.55 2wka s LEU 199 N -1.50 3.43 -0.19 0.00 0.20 -1.26 -0.58 118.68 118.78 2wka s LEU 199 Ca 0.17 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.98 2wka s LEU 199 Cb -0.11 -1.82 0.03 0.00 -0.43 0.00 0.00 46.19 43.86 2wka s LEU 199 CO 0.08 0.22 -0.15 -0.22 -0.29 0.00 0.00 176.35 176.00 2wka s LEU 200 N 0.05 2.26 -0.20 -0.68 0.20 0.00 -1.83 118.68 118.48 2wka s LEU 200 Ca 0.02 -0.79 -0.01 0.00 0.69 0.00 0.00 54.13 54.04 2wka s LEU 200 Cb -0.13 -1.35 0.01 0.00 -0.43 0.00 0.00 46.19 44.28 2wka s LEU 200 CO 0.02 -0.08 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.19 2wka s VAL 201 N 1.34 2.70 -0.47 1.68 1.01 -0.91 -1.82 120.40 123.92 2wka s VAL 201 Ca 0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2wka s VAL 201 Cb -0.15 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2wka s VAL 201 CO -0.10 0.49 0.78 -0.62 0.00 0.00 0.00 175.10 175.65 2wka s ASP 202 N 1.33 6.37 -0.38 3.32 -1.08 -0.13 -1.29 116.67 124.81 2wka s ASP 202 Ca 0.04 -0.24 0.07 0.00 -0.52 0.00 0.00 52.55 51.90 2wka s ASP 202 Cb -0.14 -2.38 0.70 0.00 -1.46 0.00 0.00 42.92 39.64 2wka s ASP 202 CO -0.07 -0.95 1.85 -0.62 0.52 0.00 0.00 175.17 175.90 2wka n GLU 203 N 6.75 2.97 -0.32 4.34 1.02 0.42 -0.65 120.64 135.17 2wka n GLU 203 Ca 0.01 -3.00 0.16 0.00 -0.02 0.00 0.00 57.16 54.32 2wka n GLU 203 Cb 0.48 -2.19 0.40 0.00 -0.02 0.00 0.00 31.44 30.12 2wka n GLU 203 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2wka h SER 204 N 1.82 0.63 -0.05 1.62 0.02 -1.86 0.06 113.55 115.78 2wka h SER 204 Ca 0.45 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2wka h SER 204 Cb 2.59 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 65.11 2wka h SER 204 CO 0.92 0.21 0.00 1.41 -1.14 0.00 0.00 176.83 178.22 2wka n HIS 205 N -4.69 0.03 -0.01 3.45 8.25 -1.26 -4.36 115.22 116.63 2wka n HIS 205 Ca 0.23 -0.02 0.01 0.00 -0.26 0.00 0.00 57.72 57.68 2wka n HIS 205 Cb 0.67 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.74 2wka n HIS 205 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2wka n SER 206 N 1.31 3.92 -4.67 0.41 3.41 -0.84 -4.84 113.62 112.31 2wka n SER 206 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 2wka n SER 206 Cb 0.58 1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.50 2wka n SER 206 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wka s LEU 207 N -3.68 4.38 0.00 1.04 0.20 -0.05 -1.23 118.68 119.33 2wka s LEU 207 Ca -0.02 2.47 0.00 0.00 0.69 0.00 0.00 54.13 57.27 2wka s LEU 207 Cb 0.02 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.24 2wka s LEU 207 CO 0.19 -0.97 0.00 0.61 -0.29 0.00 0.00 176.35 175.89 2wka n GLY 208 N 4.26 3.04 0.07 7.98 0.00 0.73 -4.54 105.19 116.74 2wka n GLY 208 Ca 0.18 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.75 2wka n GLY 208 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wka n THR 209 N 0.00 0.41 -4.31 2.61 -2.24 -1.00 -4.52 114.28 105.24 2wka n THR 209 Ca 0.00 -0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 61.04 2wka n THR 209 Cb 0.00 -0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 67.90 2wka n THR 209 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wka s HIS 210 N -3.41 1.68 0.00 4.78 3.76 -0.36 -4.92 115.29 116.82 2wka s HIS 210 Ca -0.03 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2wka s HIS 210 Cb 0.11 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.96 2wka s HIS 210 CO 0.84 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 175.41 2wka n GLY 211 N 0.28 -1.19 3.68 -2.22 0.00 -1.22 0.01 105.19 104.53 2wka n GLY 211 Ca -0.13 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2wka n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wka s PRO 212 N -1.70 4.17 -1.50 1.61 0.04 -1.26 -1.52 135.00 134.84 2wka s PRO 212 Ca 0.00 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2wka s PRO 212 Cb 0.00 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2wka s PRO 212 CO 0.00 -0.81 0.00 0.09 0.04 0.00 0.00 177.00 176.32 2wka n ASN 213 N 6.03 -5.35 0.00 6.66 3.02 -1.26 -1.75 115.26 122.60 2wka n ASN 213 Ca 0.17 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 2wka n ASN 213 Cb 0.40 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 2wka n ASN 213 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wka n GLY 214 N 0.01 0.42 0.01 7.41 0.00 -0.58 -3.96 105.19 108.50 2wka n GLY 214 Ca -0.14 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 44.99 2wka n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wka n ALA 215 N 0.85 1.39 0.00 4.61 0.00 -0.72 -0.19 120.51 126.45 2wka n ALA 215 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wka n ALA 215 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2wka n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wka n GLY 216 N -0.62 0.90 0.19 0.00 0.00 0.10 -4.59 105.19 101.17 2wka n GLY 216 Ca 0.02 -2.25 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 2wka n GLY 216 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wka h LEU 217 N 0.00 0.60 -0.79 0.99 3.38 -1.78 -0.15 115.31 117.57 2wka h LEU 217 Ca 0.00 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.68 2wka h LEU 217 Cb 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2wka h LEU 217 CO 0.00 0.79 0.49 -0.07 0.09 0.00 0.00 178.44 179.74 2wka h LEU 218 N 0.39 0.78 -0.56 1.67 3.38 -1.96 -0.16 115.31 118.85 2wka h LEU 218 Ca 0.09 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2wka h LEU 218 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2wka h LEU 218 CO 0.02 0.52 -0.08 0.00 0.09 0.00 0.00 178.44 178.99 2wka h ALA 219 N 1.36 0.76 -0.93 1.53 0.00 -1.78 0.16 119.26 120.36 2wka h ALA 219 Ca 0.33 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2wka h ALA 219 Cb 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2wka h ALA 219 CO -0.15 0.66 0.60 1.49 0.00 0.00 0.00 179.25 181.85 2wka h GLU 220 N 0.92 0.92 -0.02 0.00 4.81 -0.08 -2.47 114.58 118.67 2wka h GLU 220 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2wka h GLU 220 Cb 0.65 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2wka h GLU 220 CO 0.04 0.61 -0.20 1.28 -0.73 0.00 0.00 179.01 180.02 2wka n LEU 221 N -4.54 1.92 -1.12 1.64 4.77 -0.16 -4.95 117.00 114.56 2wka n LEU 221 Ca 0.16 -0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 55.39 2wka n LEU 221 Cb 0.29 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2wka n LEU 221 CO 0.31 0.34 -0.13 0.61 -1.33 0.00 0.00 177.39 177.19 2wka n GLY 222 N 1.33 -0.00 0.23 -0.72 0.00 -0.51 -4.93 105.19 100.59 2wka n GLY 222 Ca 0.13 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2wka n GLY 222 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wka n LEU 223 N -1.42 1.46 -0.38 0.99 4.77 0.43 -4.69 117.00 118.16 2wka n LEU 223 Ca -0.12 -0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 55.25 2wka n LEU 223 Cb 0.58 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2wka n LEU 223 CO 0.14 0.30 0.57 0.41 -1.33 0.00 0.00 177.39 177.48 2wka n THR 224 N -0.80 -0.52 0.99 -5.08 -1.04 -1.21 0.75 114.28 107.37 2wka n THR 224 Ca 0.07 2.30 0.09 0.00 -2.04 0.00 0.00 64.05 64.46 2wka n THR 224 Cb 0.39 -3.03 0.49 0.00 -1.82 0.00 0.00 70.33 66.36 2wka n THR 224 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wka n ARG 225 N -5.44 0.44 -0.05 -2.82 5.12 -1.26 -2.53 116.66 110.12 2wka n ARG 225 Ca 0.10 0.05 0.06 0.00 -1.93 0.00 0.00 57.85 56.13 2wka n ARG 225 Cb 0.39 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.28 2wka n ARG 225 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wka n GLU 226 N -1.10 1.32 -4.55 5.56 1.02 0.23 -4.97 120.64 118.15 2wka n GLU 226 Ca 0.11 -1.49 -0.34 0.00 -0.02 0.00 0.00 57.16 55.43 2wka n GLU 226 Cb 0.09 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 30.13 2wka n GLU 226 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wka s VAL 227 N -1.05 3.73 0.06 2.62 1.01 -1.05 -4.94 120.40 120.78 2wka s VAL 227 Ca 0.18 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 2wka s VAL 227 Cb 0.12 -2.57 -0.15 0.00 0.00 0.00 0.00 36.38 33.78 2wka s VAL 227 CO 0.17 0.55 1.30 0.45 0.00 0.00 0.00 175.10 177.57 2wka h HIS 228 N 5.93 0.75 -3.80 5.22 3.86 -1.88 -3.41 115.15 121.82 2wka h HIS 228 Ca -0.40 -0.29 -0.23 0.00 -1.16 0.00 0.00 60.37 58.29 2wka h HIS 228 Cb 1.18 -0.13 -0.26 0.00 1.06 0.00 0.00 27.41 29.26 2wka h HIS 228 CO 0.55 1.05 -0.72 -0.06 0.86 0.00 0.00 177.93 179.61 2wka s PHE 229 N -3.94 0.11 0.04 2.45 0.40 -0.76 -1.77 117.98 114.51 2wka s PHE 229 Ca -0.13 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 2wka s PHE 229 Cb 0.07 -0.08 -0.02 0.00 0.51 0.00 0.00 43.02 43.50 2wka s PHE 229 CO 0.83 -0.04 -0.08 0.00 0.70 0.00 0.00 175.22 176.63 2wka s MET 230 N -0.34 0.54 0.20 0.44 0.23 -0.72 -2.15 119.30 117.49 2wka s MET 230 Ca -0.03 -0.70 0.03 0.00 -1.03 0.00 0.00 55.69 53.96 2wka s MET 230 Cb -0.02 -0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 32.89 2wka s MET 230 CO -0.00 0.07 -0.01 0.95 -2.03 0.00 0.00 175.02 173.99 2wka s THR 231 N -1.22 0.92 -0.26 3.16 -4.23 -0.41 -0.57 115.64 113.03 2wka s THR 231 Ca -0.08 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.16 2wka s THR 231 Cb -0.09 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.62 2wka s THR 231 CO 0.00 -0.43 0.76 0.00 -0.54 0.00 0.00 174.62 174.42 2wka s ALA 232 N -3.49 -1.81 0.30 3.99 0.00 -0.93 -0.43 121.76 119.39 2wka s ALA 232 Ca 0.25 1.96 -0.29 0.00 0.00 0.00 0.00 51.96 53.89 2wka s ALA 232 Cb 0.05 -1.14 -0.10 0.00 0.00 0.00 0.00 23.12 21.93 2wka s ALA 232 CO 0.06 -0.33 1.32 0.45 0.00 0.00 0.00 175.76 177.26 2wka s SER 233 N 0.26 6.78 -0.08 0.00 0.15 -1.26 -1.37 113.70 118.18 2wka s SER 233 Ca -0.00 2.64 0.15 0.00 0.70 0.00 0.00 55.95 59.44 2wka s SER 233 Cb -0.05 -2.64 0.57 0.00 -1.71 0.00 0.00 66.02 62.19 2wka s SER 233 CO 0.01 -0.55 1.45 0.18 1.20 0.00 0.00 173.24 175.53 2wka n LEU 234 N 1.22 3.77 -0.95 3.45 4.77 0.64 -4.25 117.00 125.65 2wka n LEU 234 Ca 0.02 -1.90 0.09 0.00 -0.03 0.00 0.00 56.01 54.19 2wka n LEU 234 Cb 0.42 -0.50 0.24 0.00 -2.33 0.00 0.00 43.42 41.25 2wka n LEU 234 CO 0.59 0.68 0.70 0.00 -1.33 0.00 0.00 177.39 178.03 2wka n ALA 235 N 0.90 2.42 -2.00 -1.18 0.00 -0.25 0.18 120.51 120.58 2wka n ALA 235 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2wka n ALA 235 Cb 0.70 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2wka n ALA 235 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wka n LYS 236 N 1.02 0.00 -0.11 0.00 4.76 -1.26 -4.49 118.16 118.07 2wka n LYS 236 Ca 0.18 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.70 2wka n LYS 236 Cb 0.45 0.00 0.42 0.00 -1.84 0.00 0.00 35.03 34.06 2wka n LYS 236 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2wka h THR 237 N 0.00 0.98 0.00 -0.18 2.02 -1.78 -0.89 112.91 113.06 2wka h THR 237 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2wka h THR 237 Cb 0.00 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2wka h THR 237 CO 0.00 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.49 2wka n PHE 238 N -4.48 0.00 -3.97 3.16 3.01 -1.25 -4.74 117.46 109.20 2wka n PHE 238 Ca 0.09 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.26 2wka n PHE 238 Cb 0.26 -0.33 0.01 0.00 -0.01 0.00 0.00 39.48 39.40 2wka n PHE 238 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wka n ALA 239 N -1.33 -1.53 -3.21 4.37 0.00 -0.34 -4.88 120.51 113.59 2wka n ALA 239 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 2wka n ALA 239 Cb 0.24 -3.27 -0.09 0.00 0.00 0.00 0.00 19.45 16.33 2wka n ALA 239 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wka s TYR 240 N -3.48 -0.20 -1.02 0.00 5.04 0.13 -4.92 117.35 112.91 2wka s TYR 240 Ca 0.45 0.37 -0.21 0.00 -2.44 0.00 0.00 57.07 55.25 2wka s TYR 240 Cb -0.24 0.08 0.08 0.00 0.35 0.00 0.00 41.96 42.24 2wka s TYR 240 CO 0.86 -0.31 1.36 0.50 -1.34 0.00 0.00 175.55 176.62 2wka s ARG 241 N -0.90 3.64 0.05 4.97 3.52 -1.26 -1.09 118.95 127.87 2wka s ARG 241 Ca -0.10 -1.46 -0.26 0.00 -0.13 0.00 0.00 55.73 53.78 2wka s ARG 241 Cb -0.05 -5.21 0.09 0.00 -1.56 0.00 0.00 34.95 28.22 2wka s ARG 241 CO 0.03 -2.05 1.21 0.00 -0.81 0.00 0.00 175.30 173.68 2wka s ALA 242 N 4.02 -2.20 0.31 6.12 0.00 -1.23 -4.71 121.76 124.07 2wka s ALA 242 Ca 0.42 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2wka s ALA 242 Cb -0.01 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2wka s ALA 242 CO -0.08 -1.13 0.56 0.20 0.00 0.00 0.00 175.76 175.31 2wka s GLY 243 N -3.72 0.72 -0.01 0.00 0.00 -0.66 -0.26 107.32 103.39 2wka s GLY 243 Ca 0.28 -0.98 -0.19 0.00 0.00 0.00 0.00 44.72 43.83 2wka s GLY 243 CO 0.01 -0.62 0.40 0.00 0.00 0.00 0.00 173.10 172.90 2wka s ALA 244 N -3.39 -1.02 -0.13 3.20 0.00 -0.47 -0.57 121.76 119.37 2wka s ALA 244 Ca 0.22 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2wka s ALA 244 Cb -0.02 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2wka s ALA 244 CO 0.13 -0.33 -0.18 0.42 0.00 0.00 0.00 175.76 175.79 2wka s ILE 245 N -1.61 2.51 -0.06 0.00 1.01 -0.18 -2.19 121.20 120.68 2wka s ILE 245 Ca -0.11 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2wka s ILE 245 Cb -0.03 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2wka s ILE 245 CO 0.04 0.53 -0.12 0.26 0.00 0.00 0.00 174.94 175.65 2wka s TRP 246 N 0.56 2.77 -0.01 3.97 0.51 0.26 -0.02 118.94 126.99 2wka s TRP 246 Ca -0.11 -0.12 0.02 0.00 -2.12 0.00 0.00 56.10 53.78 2wka s TRP 246 Cb -0.16 -1.66 -0.00 0.00 -0.81 0.00 0.00 33.47 30.84 2wka s TRP 246 CO 0.04 0.22 -0.07 0.00 -0.51 0.00 0.00 176.95 176.63 2wka n ASN 248 N 3.04 7.47 -0.70 0.00 3.02 -0.73 -1.66 115.26 125.69 2wka n ASN 248 Ca -0.15 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.71 2wka n ASN 248 Cb 0.57 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 2wka n ASN 248 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wka n ASN 249 N -0.57 0.00 -1.05 6.41 0.23 -1.26 -4.94 115.26 114.09 2wka n ASN 249 Ca 0.56 -0.70 0.11 0.00 -0.53 0.00 0.00 54.58 54.02 2wka n ASN 249 Cb 0.52 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.48 2wka n ASN 249 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2wka n GLU 250 N 0.00 2.35 -0.34 -3.83 0.28 -1.26 -4.51 120.64 113.33 2wka n GLU 250 Ca 0.00 -2.06 0.09 0.00 -0.16 0.00 0.00 57.16 55.03 2wka n GLU 250 Cb 0.00 -1.48 0.28 0.00 1.43 0.00 0.00 31.44 31.67 2wka n GLU 250 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wka h VAL 251 N 3.74 0.89 0.00 3.84 2.07 -1.97 0.18 116.25 125.01 2wka h VAL 251 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2wka h VAL 251 Cb 0.84 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2wka h VAL 251 CO 0.00 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.35 2wka n ASN 252 N -4.61 0.54 0.23 0.57 3.02 -1.26 -0.56 115.26 113.19 2wka n ASN 252 Ca 0.19 0.68 0.09 0.00 -0.03 0.00 0.00 54.58 55.50 2wka n ASN 252 Cb 0.39 -0.78 0.56 0.00 -0.61 0.00 0.00 39.78 39.34 2wka n ASN 252 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2wka h ARG 253 N 0.00 0.00 0.00 3.52 -0.00 -1.29 -3.35 114.38 113.25 2wka h ARG 253 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.98 59.18 2wka h ARG 253 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.12 2wka h ARG 253 CO 0.00 0.22 -2.13 0.00 0.00 0.00 0.00 179.97 178.05 2wka h VAL 255 N 0.00 0.46 0.00 0.00 2.07 -1.52 -1.10 116.25 116.16 2wka h VAL 255 Ca -0.45 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2wka h VAL 255 Cb 1.86 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2wka h VAL 255 CO -0.02 0.06 -0.01 -0.65 0.02 0.00 0.00 177.57 176.97 2wka h PRO 256 N 0.35 0.00 -0.05 1.57 0.11 -1.81 0.03 132.00 132.19 2wka h PRO 256 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2wka h PRO 256 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wka h PRO 256 CO -0.55 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 178.44 2wka n PHE 257 N -3.32 0.05 -0.00 0.65 3.72 -0.44 -4.31 117.46 113.81 2wka n PHE 257 Ca -0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 2wka n PHE 257 Cb 0.10 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2wka n PHE 257 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2wka n ILE 258 N 0.72 0.04 -1.80 4.37 5.41 -0.74 -5.02 119.36 122.34 2wka n ILE 258 Ca 0.08 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.40 2wka n ILE 258 Cb 0.33 -1.04 -0.03 0.00 -0.71 0.00 0.00 39.64 38.19 2wka n ILE 258 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2wka s SER 259 N -4.59 6.50 0.10 4.38 0.15 -0.08 -4.92 113.70 115.24 2wka s SER 259 Ca -0.01 2.63 -0.19 0.00 0.70 0.00 0.00 55.95 59.08 2wka s SER 259 Cb 0.00 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 2wka s SER 259 CO 0.01 -0.96 1.66 1.88 1.20 0.00 0.00 173.24 177.04 2wka h TYR 260 N 8.72 0.33 -0.33 3.44 -1.99 -1.92 0.61 116.97 125.84 2wka h TYR 260 Ca -0.45 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.27 2wka h TYR 260 Cb 1.21 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.82 2wka h TYR 260 CO 0.81 0.34 0.22 -1.35 -0.00 0.00 0.00 178.16 178.18 2wka h PRO 261 N 0.23 0.43 -0.23 4.88 0.11 -1.92 0.16 132.00 135.67 2wka h PRO 261 Ca 0.08 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 2wka h PRO 261 Cb 0.14 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 2wka h PRO 261 CO -0.01 0.29 -0.38 0.00 -0.21 0.00 0.00 178.00 177.68 2wka h ALA 262 N 1.79 0.92 0.05 -0.75 0.00 -1.65 -2.95 119.26 116.67 2wka h ALA 262 Ca 0.12 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2wka h ALA 262 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2wka h ALA 262 CO -0.03 0.63 -0.46 0.82 0.00 0.00 0.00 179.25 180.21 2wka h ILE 263 N 0.43 1.58 -0.33 0.00 2.04 -0.30 -3.34 117.51 117.59 2wka h ILE 263 Ca 0.04 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.51 2wka h ILE 263 Cb 0.86 3.18 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 2wka h ILE 263 CO 0.07 0.62 0.00 0.49 0.00 0.00 0.00 178.15 179.33 2wka n PHE 264 N -4.40 0.42 -4.55 1.37 3.72 0.52 -4.59 117.46 109.96 2wka n PHE 264 Ca -0.14 -0.26 -0.24 0.00 -0.05 0.00 0.00 57.45 56.76 2wka n PHE 264 Cb 0.63 -0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.03 2wka n PHE 264 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wka s SER 265 N -1.32 2.28 0.68 4.37 0.15 -1.11 -5.01 113.70 113.73 2wka s SER 265 Ca 0.33 -0.52 -0.16 0.00 0.70 0.00 0.00 55.95 56.30 2wka s SER 265 Cb 0.19 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2wka s SER 265 CO 0.27 0.12 1.19 -0.55 1.20 0.00 0.00 173.24 175.47 2wka s SER 266 N -1.21 4.63 0.53 5.45 0.15 -1.26 -4.55 113.70 117.45 2wka s SER 266 Ca 0.06 2.30 -0.17 0.00 0.70 0.00 0.00 55.95 58.85 2wka s SER 266 Cb -0.09 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.57 2wka s SER 266 CO 0.02 -1.97 1.01 0.28 1.20 0.00 0.00 173.24 173.78 2wka s THR 267 N -1.94 4.30 0.39 6.45 -1.32 -0.95 -4.90 115.64 117.67 2wka s THR 267 Ca 0.74 1.12 -0.26 0.00 -1.21 0.00 0.00 61.69 62.08 2wka s THR 267 Cb -0.28 -3.61 -0.11 0.00 -1.51 0.00 0.00 72.50 66.99 2wka s THR 267 CO 0.41 -0.61 1.17 0.18 -2.21 0.00 0.00 174.62 173.56 2wka n LEU 268 N -1.66 3.24 -4.84 9.08 7.99 -1.26 -4.93 117.00 124.63 2wka n LEU 268 Ca 0.07 1.12 -0.33 0.00 -0.01 0.00 0.00 56.01 56.87 2wka n LEU 268 Cb 0.54 -1.43 -0.06 0.00 -0.11 0.00 0.00 43.42 42.35 2wka n LEU 268 CO 0.46 -0.93 0.51 -0.76 -1.51 0.00 0.00 177.39 175.15 2wka s LEU 269 N -0.94 4.01 0.37 2.23 2.01 -1.26 -4.95 118.68 120.15 2wka s LEU 269 Ca 0.60 1.43 0.13 0.00 0.01 0.00 0.00 54.13 56.30 2wka s LEU 269 Cb -0.56 -4.25 0.95 0.00 0.01 0.00 0.00 46.19 42.34 2wka s LEU 269 CO 0.59 -0.27 1.81 -0.65 1.01 0.00 0.00 176.35 178.85 2wka h PRO 270 N 2.11 0.53 0.00 1.29 0.11 -1.94 0.32 132.00 134.42 2wka h PRO 270 Ca -0.48 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2wka h PRO 270 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wka h PRO 270 CO 0.64 0.35 -0.14 0.10 -0.21 0.00 0.00 178.00 178.74 2wka h TYR 271 N 0.55 0.00 -0.12 0.65 -0.00 -1.93 -2.32 116.97 113.81 2wka h TYR 271 Ca 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.19 2wka h TYR 271 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.84 2wka h TYR 271 CO -0.00 0.14 -0.19 0.93 -0.00 0.00 0.00 178.16 179.04 2wka h GLU 272 N 0.00 0.34 -0.85 0.10 5.08 -0.74 -2.73 114.58 115.77 2wka h GLU 272 Ca -0.00 -0.20 0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2wka h GLU 272 Cb 0.43 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 2wka h GLU 272 CO 0.02 0.79 0.49 0.00 -1.00 0.00 0.00 179.01 179.30 2wka h ALA 273 N 0.55 1.23 -0.74 3.43 0.00 -1.39 -2.44 119.26 119.90 2wka h ALA 273 Ca 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2wka h ALA 273 Cb 0.76 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2wka h ALA 273 CO 0.04 0.09 0.25 0.00 0.00 0.00 0.00 179.25 179.63 2wka h ALA 274 N 1.48 0.96 -0.30 0.00 0.00 -1.39 -2.42 119.26 117.60 2wka h ALA 274 Ca 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2wka h ALA 274 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wka h ALA 274 CO -0.27 0.63 0.08 0.78 0.00 0.00 0.00 179.25 180.48 2wka h GLY 275 N 1.09 0.45 1.77 0.00 0.00 -1.13 -1.74 103.07 103.50 2wka h GLY 275 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 2wka h GLY 275 CO -0.01 0.21 -0.11 1.41 0.00 0.00 0.00 176.54 178.04 2wka h LEU 276 N 0.42 0.27 -0.74 3.11 4.07 -1.01 -2.47 115.31 118.95 2wka h LEU 276 Ca 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 2wka h LEU 276 Cb 0.15 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 2wka h LEU 276 CO -0.01 0.41 0.37 -0.33 -1.08 0.00 0.00 178.44 177.81 2wka h GLU 277 N 0.28 1.06 -0.40 1.13 5.08 -1.06 -0.01 114.58 120.66 2wka h GLU 277 Ca 0.06 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2wka h GLU 277 Cb 0.36 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2wka h GLU 277 CO 0.02 0.82 -0.07 1.15 -1.00 0.00 0.00 179.01 179.94 2wka h THR 278 N 1.04 1.27 -0.49 1.13 2.02 -1.51 -2.48 112.91 113.89 2wka h THR 278 Ca 0.26 -1.14 0.05 0.00 0.77 0.00 0.00 66.41 66.35 2wka h THR 278 Cb 0.10 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 2wka h THR 278 CO -0.03 0.38 0.22 0.74 0.37 0.00 0.00 175.52 177.20 2wka h THR 279 N 0.57 0.91 -0.25 3.16 2.02 -1.10 -0.94 112.91 117.28 2wka h THR 279 Ca 0.11 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2wka h THR 279 Cb 0.58 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2wka h THR 279 CO 0.03 0.08 -0.00 0.25 0.37 0.00 0.00 175.52 176.25 2wka h LEU 280 N 0.43 -0.10 -0.72 2.58 5.85 -0.94 -0.20 115.31 122.20 2wka h LEU 280 Ca 0.22 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2wka h LEU 280 Cb 0.17 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2wka h LEU 280 CO -0.18 -0.02 0.40 -0.33 -0.34 0.00 0.00 178.44 177.97 2wka h GLU 281 N 0.07 0.70 -0.60 1.25 5.08 -0.90 0.60 114.58 120.78 2wka h GLU 281 Ca 0.12 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2wka h GLU 281 Cb 0.15 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2wka h GLU 281 CO -0.20 0.46 0.02 0.82 -1.00 0.00 0.00 179.01 179.11 2wka h ILE 282 N 0.72 1.26 -0.34 3.13 1.08 -0.76 -2.91 117.51 119.69 2wka h ILE 282 Ca 0.33 -1.11 -0.07 0.00 -0.39 0.00 0.00 64.86 63.63 2wka h ILE 282 Cb 0.25 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2wka h ILE 282 CO -0.21 0.40 -0.05 0.40 -0.69 0.00 0.00 178.15 178.01 2wka h ILE 283 N 0.96 1.27 -0.28 -0.67 2.04 -0.18 -2.44 117.51 118.20 2wka h ILE 283 Ca 0.18 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 65.04 2wka h ILE 283 Cb 0.52 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2wka h ILE 283 CO 0.03 0.35 0.20 -0.33 0.00 0.00 0.00 178.15 178.40 2wka h GLU 284 N 0.43 0.05 -0.02 2.37 5.08 -0.82 -1.43 114.58 120.23 2wka h GLU 284 Ca 0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2wka h GLU 284 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2wka h GLU 284 CO 0.03 0.03 -0.07 -1.13 -1.00 0.00 0.00 179.01 176.87 2wka n SER 285 N -4.46 2.23 -2.07 1.42 3.41 -1.05 -4.63 113.62 108.47 2wka n SER 285 Ca 0.04 -1.69 -0.18 0.00 -0.26 0.00 0.00 58.87 56.77 2wka n SER 285 Cb 0.33 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 2wka n SER 285 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wka n ALA 286 N 0.65 5.60 -0.28 7.33 0.00 -0.54 -4.55 120.51 128.72 2wka n ALA 286 Ca 0.15 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.58 2wka n ALA 286 Cb 0.48 -1.69 0.13 0.00 0.00 0.00 0.00 19.45 18.37 2wka n ALA 286 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wka h ASP 287 N 2.10 0.73 -0.01 0.00 5.19 -1.82 -2.21 116.42 120.40 2wka h ASP 287 Ca 0.29 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.75 2wka h ASP 287 Cb 0.91 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 2wka h ASP 287 CO 0.69 0.46 -0.10 -0.55 -3.12 0.00 0.00 179.24 176.62 2wka h ASN 288 N 0.86 -0.30 -0.65 6.45 -1.07 -1.99 -1.11 115.58 117.76 2wka h ASN 288 Ca 0.35 0.05 -0.04 0.00 0.07 0.00 0.00 56.30 56.73 2wka h ASN 288 Cb 0.20 0.13 -0.03 0.00 -2.07 0.00 0.00 38.32 36.55 2wka h ASN 288 CO -0.18 -0.15 0.28 0.03 0.07 0.00 0.00 177.43 177.47 2wka h ARG 289 N -0.18 1.00 -0.59 4.14 3.08 -1.89 -1.81 114.38 118.12 2wka h ARG 289 Ca 0.04 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2wka h ARG 289 Cb 0.23 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2wka h ARG 289 CO -0.11 0.80 0.29 0.00 -1.07 0.00 0.00 179.97 179.88 2wka h ARG 290 N 0.98 0.85 -0.14 0.04 3.08 -0.98 -1.20 114.38 117.01 2wka h ARG 290 Ca 0.23 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2wka h ARG 290 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2wka h ARG 290 CO -0.02 0.69 0.02 0.37 -1.07 0.00 0.00 179.97 179.96 2wka h GLN 291 N 0.81 0.23 -0.30 0.04 4.15 -0.96 -2.20 115.11 116.89 2wka h GLN 291 Ca 0.20 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.57 2wka h GLN 291 Cb 0.12 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2wka h GLN 291 CO -0.03 0.42 0.19 1.25 -1.93 0.00 0.00 178.83 178.73 2wka h HIS 292 N 0.01 0.36 -0.50 3.99 2.76 -1.19 -1.94 115.15 118.64 2wka h HIS 292 Ca 0.04 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2wka h HIS 292 Cb 0.30 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 2wka h HIS 292 CO 0.02 0.22 0.22 1.25 -1.30 0.00 0.00 177.93 178.34 2wka h LEU 293 N 0.39 0.29 -0.61 0.26 5.85 -1.22 -1.15 115.31 119.12 2wka h LEU 293 Ca 0.11 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2wka h LEU 293 Cb -0.03 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2wka h LEU 293 CO -0.03 0.20 0.36 -0.78 -0.34 0.00 0.00 178.44 177.85 2wka h ASP 294 N 0.44 0.56 -0.08 1.25 3.58 -0.98 -1.05 116.42 120.13 2wka h ASP 294 Ca 0.23 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 2wka h ASP 294 Cb 0.18 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2wka h ASP 294 CO -0.19 0.38 -0.06 0.03 -2.88 0.00 0.00 179.24 176.52 2wka h ARG 295 N 0.69 0.17 -0.95 0.28 3.08 -0.97 -1.25 114.38 115.43 2wka h ARG 295 Ca 0.26 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.28 2wka h ARG 295 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 2wka h ARG 295 CO -0.14 0.58 0.61 0.52 -1.07 0.00 0.00 179.97 180.48 2wka h MET 296 N -0.24 1.10 -0.65 0.04 2.86 -1.16 -1.03 114.93 115.86 2wka h MET 296 Ca 0.01 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2wka h MET 296 Cb 0.54 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2wka h MET 296 CO 0.02 0.73 0.08 0.00 1.06 0.00 0.00 176.91 178.79 2wka h ALA 297 N 1.42 0.86 -0.33 6.32 0.00 -1.01 -1.28 119.26 125.24 2wka h ALA 297 Ca 0.40 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2wka h ALA 297 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wka h ALA 297 CO -0.16 0.65 -0.16 -0.09 0.00 0.00 0.00 179.25 179.49 2wka h ARG 298 N 1.00 0.59 -0.39 0.00 2.43 -0.67 -1.40 114.38 115.94 2wka h ARG 298 Ca 0.19 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2wka h ARG 298 Cb 0.47 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2wka h ARG 298 CO 0.02 0.73 0.15 0.87 -1.51 0.00 0.00 179.97 180.23 2wka h LYS 299 N 0.54 0.60 -0.17 0.20 1.57 -0.73 -1.61 116.57 116.97 2wka h LYS 299 Ca 0.09 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2wka h LYS 299 Cb 0.59 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2wka h LYS 299 CO 0.04 0.57 0.00 1.25 -0.57 0.00 0.00 179.45 180.75 2wka h LEU 300 N 0.49 0.29 0.34 2.94 6.46 -1.06 -0.57 115.31 124.20 2wka h LEU 300 Ca 0.13 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 2wka h LEU 300 Cb 0.21 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2wka h LEU 300 CO -0.01 0.53 -0.45 0.03 -0.62 0.00 0.00 178.44 177.91 2wka h ARG 301 N 0.05 -0.79 -0.27 1.25 3.08 -1.21 0.74 114.38 117.23 2wka h ARG 301 Ca 0.05 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2wka h ARG 301 Cb 0.37 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 2wka h ARG 301 CO 0.01 -0.53 -0.26 0.82 -1.07 0.00 0.00 179.97 178.94 2wka h ILE 302 N -0.82 0.35 -0.81 2.04 2.04 -1.33 0.55 117.51 119.54 2wka h ILE 302 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 2wka h ILE 302 Cb 0.74 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 2wka h ILE 302 CO -0.12 0.00 0.45 1.23 0.00 0.00 0.00 178.15 179.71 2wka h GLY 303 N -0.26 1.25 1.38 5.37 0.00 -0.93 -1.90 103.07 107.99 2wka h GLY 303 Ca 0.15 -0.29 -0.24 0.00 0.00 0.00 0.00 47.33 46.94 2wka h GLY 303 CO -0.42 0.10 -0.95 1.41 0.00 0.00 0.00 176.54 176.69 2wka h LEU 304 N 0.74 0.72 -0.47 3.11 3.38 -0.29 -3.22 115.31 119.28 2wka h LEU 304 Ca 0.39 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2wka h LEU 304 Cb 0.39 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2wka h LEU 304 CO -0.26 1.35 0.13 0.28 0.09 0.00 0.00 178.44 180.03 2wka h SER 305 N 0.33 0.09 0.08 -0.43 0.02 -0.58 -1.59 113.55 111.47 2wka h SER 305 Ca -0.09 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2wka h SER 305 Cb 1.58 0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2wka h SER 305 CO 0.18 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.94 2wka n GLN 306 N -5.06 0.12 0.02 3.45 6.02 -0.74 0.69 117.38 121.88 2wka n GLN 306 Ca 0.04 0.59 0.14 0.00 -0.01 0.00 0.00 57.00 57.76 2wka n GLN 306 Cb 0.21 -1.88 0.58 0.00 1.02 0.00 0.00 30.24 30.17 2wka n GLN 306 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wka n LEU 307 N -2.14 0.12 0.00 1.08 4.32 -0.60 -4.89 117.00 114.88 2wka n LEU 307 Ca -0.01 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 2wka n LEU 307 Cb 0.05 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 2wka n LEU 307 CO 0.09 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.84 2wka n GLY 308 N 1.43 0.65 3.78 -0.72 0.00 0.22 -5.05 105.19 105.50 2wka n GLY 308 Ca 0.07 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2wka n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wka s LEU 309 N 0.00 4.17 -0.27 0.99 1.43 -1.22 -4.99 118.68 118.78 2wka s LEU 309 Ca 0.00 2.01 -0.29 0.00 -1.03 0.00 0.00 54.13 54.81 2wka s LEU 309 Cb 0.00 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 2wka s LEU 309 CO 0.00 -0.42 1.36 -0.89 0.23 0.00 0.00 176.35 176.63 2wka s THR 310 N -1.66 4.06 -0.37 5.49 2.01 -1.25 -4.56 115.64 119.36 2wka s THR 310 Ca 0.57 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.79 2wka s THR 310 Cb -0.21 -4.05 0.11 0.00 0.01 0.00 0.00 72.50 68.36 2wka s THR 310 CO 0.27 -0.40 0.15 -0.63 -0.69 0.00 0.00 174.62 173.31 2wka s ILE 311 N 4.45 1.37 -0.16 1.82 -1.09 -1.26 -4.57 121.20 121.75 2wka s ILE 311 Ca 0.59 -2.06 0.20 0.00 -2.23 0.00 0.00 60.65 57.15 2wka s ILE 311 Cb -0.19 -1.99 0.19 0.00 -1.58 0.00 0.00 42.46 38.88 2wka s ILE 311 CO 0.23 -0.75 1.59 0.03 -1.23 0.00 0.00 174.94 174.81 2wka h ARG 312 N 7.44 0.00 -6.51 2.79 3.08 -1.84 -3.47 114.38 115.86 2wka h ARG 312 Ca -0.07 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.38 2wka h ARG 312 Cb 0.98 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.15 2wka h ARG 312 CO 0.49 0.29 0.10 0.45 -1.07 0.00 0.00 179.97 180.23 2wka n SER 313 N -3.22 1.12 -0.68 7.04 2.88 -1.16 -4.52 113.62 115.09 2wka n SER 313 Ca 0.02 1.12 0.06 0.00 -1.33 0.00 0.00 58.87 58.74 2wka n SER 313 Cb 0.60 -1.29 0.17 0.00 -0.75 0.00 0.00 64.21 62.94 2wka n SER 313 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2wka n GLU 314 N 0.55 1.32 -1.13 -1.46 1.02 -0.34 -4.90 120.64 115.70 2wka n GLU 314 Ca 0.10 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.21 2wka n GLU 314 Cb 0.35 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2wka n GLU 314 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wka n SER 315 N -0.91 0.00 0.00 1.62 3.41 -1.19 -4.89 113.62 111.66 2wka n SER 315 Ca 0.17 -0.77 0.14 0.00 -0.26 0.00 0.00 58.87 58.15 2wka n SER 315 Cb 0.75 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.55 2wka n SER 315 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wka n GLN 316 N 0.00 0.90 -3.68 4.33 0.00 -1.26 -4.61 117.38 113.05 2wka n GLN 316 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.62 2wka n GLN 316 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.62 2wka n GLN 316 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2wka s ILE 317 N -2.00 4.62 -0.16 -0.39 1.01 -1.26 -0.59 121.20 122.43 2wka s ILE 317 Ca 0.43 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.88 2wka s ILE 317 Cb 0.20 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.42 2wka s ILE 317 CO 0.33 0.20 -0.19 -0.63 0.00 0.00 0.00 174.94 174.65 2wka s ILE 318 N 1.64 2.23 -0.32 2.92 1.09 0.13 -4.08 121.20 124.82 2wka s ILE 318 Ca 0.06 -0.91 -0.08 0.00 -1.10 0.00 0.00 60.65 58.62 2wka s ILE 318 Cb -0.16 -1.92 0.01 0.00 -1.06 0.00 0.00 42.46 39.33 2wka s ILE 318 CO 0.06 0.53 0.12 -0.83 -0.10 0.00 0.00 174.94 174.73 2wka s GLY 319 N 1.00 1.84 -0.24 6.18 0.00 -1.26 0.91 107.32 115.74 2wka s GLY 319 Ca -0.02 -1.50 -0.28 0.00 0.00 0.00 0.00 44.72 42.91 2wka s GLY 319 CO -0.05 0.70 1.02 1.08 0.00 0.00 0.00 173.10 175.85 2wka s LEU 320 N 1.53 4.08 -0.49 0.66 1.43 -0.77 -4.72 118.68 120.41 2wka s LEU 320 Ca 0.03 1.29 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 2wka s LEU 320 Cb -0.18 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.59 2wka s LEU 320 CO 0.04 -0.67 0.77 -1.61 0.23 0.00 0.00 176.35 175.10 2wka s GLU 321 N 3.20 3.30 -0.16 1.70 2.02 -1.26 -1.08 118.70 126.42 2wka s GLU 321 Ca 0.43 -0.36 0.17 0.00 0.02 0.00 0.00 54.97 55.23 2wka s GLU 321 Cb -0.15 -4.00 0.47 0.00 0.10 0.00 0.00 34.13 30.54 2wka s GLU 321 CO 0.07 -1.22 1.35 0.25 0.02 0.00 0.00 175.26 175.74 2wka n THR 322 N 5.99 2.17 0.00 3.63 -2.24 -0.82 0.50 114.28 123.51 2wka n THR 322 Ca -0.00 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.81 2wka n THR 322 Cb 0.47 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2wka n THR 322 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wka n GLY 323 N -0.73 3.56 3.91 3.38 0.00 -1.23 -3.58 105.19 110.49 2wka n GLY 323 Ca 0.20 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2wka n GLY 323 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wka s ASP 324 N -4.00 4.31 0.20 1.61 1.47 -1.25 -0.67 116.67 118.33 2wka s ASP 324 Ca 0.00 0.59 -0.08 0.00 1.18 0.00 0.00 52.55 54.24 2wka s ASP 324 Cb 0.00 -1.03 0.11 0.00 -0.34 0.00 0.00 42.92 41.67 2wka s ASP 324 CO 0.00 -1.99 1.70 -0.33 0.68 0.00 0.00 175.17 175.22 2wka h GLU 325 N -1.05 1.12 0.08 2.11 5.08 -1.88 0.20 114.58 120.22 2wka h GLU 325 Ca -0.45 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 57.61 2wka h GLU 325 Cb 1.31 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2wka h GLU 325 CO 0.59 1.01 -0.06 0.07 -1.00 0.00 0.00 179.01 179.63 2wka h ARG 326 N 1.05 -0.13 -0.08 2.33 0.11 -1.94 -0.70 114.38 115.02 2wka h ARG 326 Ca 0.21 0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.25 2wka h ARG 326 Cb 0.43 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 2wka h ARG 326 CO 0.01 -0.09 -0.17 -0.97 0.10 0.00 0.00 179.97 178.85 2wka h ASN 327 N -0.14 0.12 -0.11 0.08 -1.24 -1.77 -2.67 115.58 109.85 2wka h ASN 327 Ca -0.00 -0.02 -0.18 0.00 0.71 0.00 0.00 56.30 56.81 2wka h ASN 327 Cb 0.12 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 2wka h ASN 327 CO -0.00 0.31 -0.57 0.74 -1.29 0.00 0.00 177.43 176.61 2wka h THR 328 N 0.12 1.30 -0.39 -3.57 2.02 -0.31 -2.19 112.91 109.89 2wka h THR 328 Ca 0.02 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.40 2wka h THR 328 Cb 0.38 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2wka h THR 328 CO 0.03 0.57 0.24 -0.08 0.37 0.00 0.00 175.52 176.64 2wka h GLU 329 N 0.53 0.53 -0.20 6.66 4.81 -0.82 -0.71 114.58 125.38 2wka h GLU 329 Ca 0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2wka h GLU 329 Cb 1.15 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2wka h GLU 329 CO 0.12 0.40 0.04 0.87 -0.73 0.00 0.00 179.01 179.71 2wka h LYS 330 N 0.51 0.12 -0.43 1.92 1.57 -1.41 0.23 116.57 119.08 2wka h LYS 330 Ca 0.14 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2wka h LYS 330 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2wka h LYS 330 CO -0.03 0.08 0.15 0.28 -0.57 0.00 0.00 179.45 179.36 2wka h VAL 331 N 0.12 1.22 -0.24 0.50 2.07 -1.26 -1.09 116.25 117.57 2wka h VAL 331 Ca 0.09 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2wka h VAL 331 Cb 0.08 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2wka h VAL 331 CO -0.11 0.25 -0.01 -0.09 0.02 0.00 0.00 177.57 177.63 2wka h ARG 332 N 0.56 0.05 -0.27 1.57 2.43 -0.84 0.11 114.38 118.00 2wka h ARG 332 Ca 0.14 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2wka h ARG 332 Cb 0.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2wka h ARG 332 CO -0.01 0.03 0.12 -0.44 -1.51 0.00 0.00 179.97 178.17 2wka h ASP 333 N 0.05 0.18 0.25 -3.80 3.32 -0.77 0.67 116.42 116.32 2wka h ASP 333 Ca 0.11 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2wka h ASP 333 Cb 0.15 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2wka h ASP 333 CO -0.20 0.14 -0.16 0.22 -1.72 0.00 0.00 179.24 177.52 2wka h TYR 334 N 0.27 -0.41 -0.46 4.55 3.20 -0.74 0.30 116.97 123.68 2wka h TYR 334 Ca 0.11 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.07 2wka h TYR 334 Cb 0.04 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 2wka h TYR 334 CO -0.10 -0.25 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.05 2wka h LEU 335 N -0.39 -0.31 -0.06 2.82 4.07 -0.71 -2.23 115.31 118.49 2wka h LEU 335 Ca -0.02 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2wka h LEU 335 Cb 0.33 0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 2wka h LEU 335 CO 0.02 -0.11 -0.01 -0.33 -1.08 0.00 0.00 178.44 176.93 2wka h GLU 336 N 0.05 0.11 -0.63 1.13 5.08 -0.46 -1.59 114.58 118.28 2wka h GLU 336 Ca 0.23 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.66 2wka h GLU 336 Cb 0.35 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.47 2wka h GLU 336 CO -0.43 0.43 -0.32 0.77 -1.00 0.00 0.00 179.01 178.45 2wka h SER 337 N -0.22 -1.12 -4.28 1.42 0.02 -0.31 -3.35 113.55 105.71 2wka h SER 337 Ca 0.02 0.23 -0.51 0.00 -0.84 0.00 0.00 61.79 60.69 2wka h SER 337 Cb 0.38 0.57 0.09 0.00 0.14 0.00 0.00 62.40 63.58 2wka h SER 337 CO 0.00 -0.30 0.37 0.20 -1.14 0.00 0.00 176.83 175.97 2wka s ASN 338 N -5.19 5.44 0.00 3.07 0.01 -0.85 -4.90 114.94 112.52 2wka s ASN 338 Ca -0.14 1.72 -0.03 0.00 -0.71 0.00 0.00 52.86 53.70 2wka s ASN 338 Cb 0.17 -2.51 -0.11 0.00 0.41 0.00 0.00 41.25 39.20 2wka s ASN 338 CO 0.70 -1.40 2.38 0.61 -1.51 0.00 0.00 177.10 177.87 2wka n GLY 339 N -1.52 2.41 3.06 0.66 0.00 -1.25 -4.73 105.19 103.82 2wka n GLY 339 Ca 0.08 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2wka n GLY 339 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wka s VAL 340 N 0.85 1.78 -0.42 1.61 1.01 -0.61 -0.04 120.40 124.59 2wka s VAL 340 Ca 0.28 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2wka s VAL 340 Cb 0.13 -1.68 0.12 0.00 0.00 0.00 0.00 36.38 34.95 2wka s VAL 340 CO 0.00 0.44 0.16 -0.36 0.00 0.00 0.00 175.10 175.34 2wka s PHE 341 N 1.39 3.19 0.00 5.22 0.08 -0.39 -3.00 117.98 124.47 2wka s PHE 341 Ca 0.04 -2.93 0.00 0.00 0.12 0.00 0.00 56.93 54.16 2wka s PHE 341 Cb -0.14 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 2wka s PHE 341 CO -0.11 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.58 2wka n GLY 342 N 3.74 1.36 3.28 4.36 0.00 -1.26 -0.54 105.19 116.14 2wka n GLY 342 Ca 0.04 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 2wka n GLY 342 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wka s SER 343 N -1.00 3.74 -0.09 1.61 0.01 -0.15 -4.85 113.70 112.96 2wka s SER 343 Ca 0.00 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 2wka s SER 343 Cb 0.00 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 2wka s SER 343 CO 0.00 0.10 1.53 -0.69 0.41 0.00 0.00 173.24 174.59 2wka s VAL 344 N 0.75 3.80 -0.23 3.43 1.01 -1.26 0.11 120.40 128.00 2wka s VAL 344 Ca -0.06 0.97 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 2wka s VAL 344 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2wka s VAL 344 CO 0.01 -0.09 0.07 -0.36 0.00 0.00 0.00 175.10 174.74 2wka s PHE 345 N 3.89 3.13 0.00 5.22 0.40 0.19 -4.83 117.98 125.98 2wka s PHE 345 Ca 0.68 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 2wka s PHE 345 Cb -0.30 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.03 2wka s PHE 345 CO 0.25 -0.22 0.00 0.00 0.70 0.00 0.00 175.22 175.95 2wka s ARG 347 N -1.57 3.83 0.00 0.00 1.70 -1.23 -0.79 118.95 120.89 2wka s ARG 347 Ca 0.00 1.77 0.00 0.00 -0.47 0.00 0.00 55.73 57.03 2wka s ARG 347 Cb 0.00 -4.04 0.00 0.00 -0.57 0.00 0.00 34.95 30.34 2wka s ARG 347 CO 0.00 -1.25 0.17 -0.35 -1.08 0.00 0.00 175.30 172.79 2wka n PRO 348 N 7.62 1.30 0.07 3.89 -0.04 -1.26 -4.85 135.00 141.72 2wka n PRO 348 Ca 0.19 -0.17 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 2wka n PRO 348 Cb 0.45 -0.58 -0.08 0.00 -0.04 0.00 0.00 33.50 33.24 2wka n PRO 348 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wka h ALA 349 N 0.00 0.22 -1.79 0.55 0.00 -1.37 -3.46 119.26 113.41 2wka h ALA 349 Ca 0.00 -0.73 -0.60 0.00 0.00 0.00 0.00 54.91 53.59 2wka h ALA 349 Cb 0.13 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.81 2wka h ALA 349 CO 0.00 0.77 -0.62 0.95 0.00 0.00 0.00 179.25 180.35 2wka s THR 350 N -3.20 1.89 0.74 0.00 -4.23 -0.62 -4.97 115.64 105.25 2wka s THR 350 Ca -0.07 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.28 2wka s THR 350 Cb 0.08 -2.88 0.04 0.00 1.34 0.00 0.00 72.50 71.07 2wka s THR 350 CO 0.90 -0.05 1.10 -0.94 -0.54 0.00 0.00 174.62 175.08 2wka s SER 351 N -3.64 4.70 0.56 3.99 1.04 -1.26 -3.52 113.70 115.56 2wka s SER 351 Ca 0.35 1.87 0.30 0.00 0.48 0.00 0.00 55.95 58.95 2wka s SER 351 Cb 0.08 -2.53 1.64 0.00 0.10 0.00 0.00 66.02 65.31 2wka s SER 351 CO 0.17 -1.90 2.14 0.50 0.98 0.00 0.00 173.24 175.13 2wka h LYS 352 N -0.77 0.00 -0.47 4.02 3.64 -1.96 -2.61 116.57 118.43 2wka h LYS 352 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2wka h LYS 352 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2wka h LYS 352 CO 0.52 0.07 0.00 0.09 -2.27 0.00 0.00 179.45 177.86 2wka n ASN 353 N -3.60 3.75 -2.63 4.20 3.02 -1.26 -3.86 115.26 114.87 2wka n ASN 353 Ca -0.02 -2.31 -0.12 0.00 -0.03 0.00 0.00 54.58 52.10 2wka n ASN 353 Cb 0.19 -0.42 0.03 0.00 -0.61 0.00 0.00 39.78 38.96 2wka n ASN 353 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wka n LYS 354 N 0.65 1.54 -1.60 3.52 4.76 -0.98 -3.85 118.16 122.20 2wka n LYS 354 Ca 0.19 -3.47 -0.32 0.00 -2.87 0.00 0.00 58.31 51.84 2wka n LYS 354 Cb 0.66 -1.42 0.06 0.00 -1.84 0.00 0.00 35.03 32.50 2wka n LYS 354 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2wka s ASN 355 N -3.21 4.89 0.03 4.39 0.01 0.15 -4.58 114.94 116.62 2wka s ASN 355 Ca 0.31 1.96 0.03 0.00 -0.71 0.00 0.00 52.86 54.45 2wka s ASN 355 Cb 0.45 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 2wka s ASN 355 CO 0.00 -1.78 -0.10 -0.63 -1.51 0.00 0.00 177.10 173.08 2wka s ILE 356 N -2.49 0.76 -0.40 0.60 1.01 -0.29 -1.95 121.20 118.45 2wka s ILE 356 Ca 0.66 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2wka s ILE 356 Cb -0.20 -0.72 0.07 0.00 0.01 0.00 0.00 42.46 41.62 2wka s ILE 356 CO 0.46 -0.10 0.21 -0.63 0.00 0.00 0.00 174.94 174.88 2wka s ILE 357 N -0.86 4.06 -0.12 2.92 1.01 -0.24 0.53 121.20 128.49 2wka s ILE 357 Ca -0.02 -1.36 -0.23 0.00 0.00 0.00 0.00 60.65 59.03 2wka s ILE 357 Cb -0.07 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 2wka s ILE 357 CO 0.01 -0.43 0.72 -0.60 0.00 0.00 0.00 174.94 174.64 2wka s ARG 358 N 1.40 4.35 -0.35 2.79 3.52 0.12 -1.84 118.95 128.94 2wka s ARG 358 Ca 0.02 0.86 -0.13 0.00 -0.13 0.00 0.00 55.73 56.35 2wka s ARG 358 Cb -0.22 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.65 2wka s ARG 358 CO 0.02 -0.10 0.23 -0.51 -0.81 0.00 0.00 175.30 174.13 2wka s LEU 359 N 1.40 4.55 -0.25 -0.88 1.02 0.26 -0.98 118.68 123.79 2wka s LEU 359 Ca 0.36 -0.52 -0.08 0.00 0.02 0.00 0.00 54.13 53.91 2wka s LEU 359 Cb -0.17 -2.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.89 2wka s LEU 359 CO 0.15 -0.26 0.10 -0.44 0.02 0.00 0.00 176.35 175.91 2wka s SER 360 N 1.70 5.38 0.28 2.29 0.01 -0.99 0.22 113.70 122.59 2wka s SER 360 Ca 0.06 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.07 2wka s SER 360 Cb -0.18 -1.97 -0.08 0.00 0.21 0.00 0.00 66.02 64.01 2wka s SER 360 CO 0.10 -0.02 0.64 -0.76 0.41 0.00 0.00 173.24 173.60 2wka s LEU 361 N 1.54 4.09 0.16 2.44 1.43 0.24 -4.27 118.68 124.31 2wka s LEU 361 Ca 0.06 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.23 2wka s LEU 361 Cb -0.15 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 2wka s LEU 361 CO 0.05 -0.16 -0.02 0.54 0.23 0.00 0.00 176.35 176.99 2wka s ASN 362 N -2.48 1.27 0.00 2.29 2.20 -1.26 -4.70 114.94 112.26 2wka s ASN 362 Ca 0.50 -1.13 0.12 0.00 -0.94 0.00 0.00 52.86 51.40 2wka s ASN 362 Cb -0.11 0.10 0.65 0.00 -2.00 0.00 0.00 41.25 39.89 2wka s ASN 362 CO 0.22 -0.53 1.20 -1.54 -2.94 0.00 0.00 177.10 173.51 2wka n SER 363 N -0.21 0.00 0.02 3.54 3.41 0.57 -1.56 113.62 119.39 2wka n SER 363 Ca -0.08 -0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2wka n SER 363 Cb 0.63 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.47 2wka n SER 363 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wka n ASP 364 N -1.13 0.62 -4.77 4.04 9.92 -1.26 -4.80 116.55 119.17 2wka n ASP 364 Ca 0.07 -0.25 -0.41 0.00 -0.53 0.00 0.00 54.79 53.67 2wka n ASP 364 Cb 0.06 0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 41.31 2wka n ASP 364 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wka s VAL 365 N -3.18 2.69 0.44 2.53 1.01 -0.60 -5.02 120.40 118.27 2wka s VAL 365 Ca 0.04 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.77 2wka s VAL 365 Cb 0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2wka s VAL 365 CO 0.80 0.16 0.16 0.54 0.00 0.00 0.00 175.10 176.75 2wka s ASN 366 N -0.36 4.33 0.49 3.32 2.20 -1.26 -4.99 114.94 118.68 2wka s ASN 366 Ca 0.50 -1.21 0.22 0.00 -0.94 0.00 0.00 52.86 51.43 2wka s ASN 366 Cb -0.40 -0.26 1.27 0.00 -2.00 0.00 0.00 41.25 39.86 2wka s ASN 366 CO 0.52 -0.63 1.97 0.44 -2.94 0.00 0.00 177.10 176.46 2wka h ASP 367 N 1.40 0.14 -0.03 3.54 5.19 -1.99 -1.63 116.42 123.03 2wka h ASP 367 Ca -0.42 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 55.89 2wka h ASP 367 Cb 1.26 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.76 2wka h ASP 367 CO 0.71 0.07 -0.39 -0.08 -3.12 0.00 0.00 179.24 176.43 2wka h GLU 368 N 0.15 0.33 -0.73 3.56 4.81 -1.99 -2.48 114.58 118.22 2wka h GLU 368 Ca 0.29 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2wka h GLU 368 Cb 0.95 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2wka h GLU 368 CO -0.04 0.98 0.47 1.96 -0.73 0.00 0.00 179.01 181.64 2wka h GLN 369 N -0.21 0.91 0.19 1.92 4.20 -1.83 -0.43 115.11 119.85 2wka h GLN 369 Ca -0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2wka h GLN 369 Cb 1.09 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2wka h GLN 369 CO 0.08 0.60 -0.24 0.82 -0.67 0.00 0.00 178.83 179.42 2wka h ILE 370 N 0.93 0.00 -0.90 2.54 1.08 -1.33 -0.15 117.51 119.69 2wka h ILE 370 Ca 0.29 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.95 2wka h ILE 370 Cb -0.03 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.55 2wka h ILE 370 CO -0.09 0.00 -0.17 0.00 -0.69 0.00 0.00 178.15 177.20 2wka h ALA 371 N -1.29 0.69 -0.68 1.87 0.00 -1.27 0.30 119.26 118.89 2wka h ALA 371 Ca -0.02 0.34 0.08 0.00 0.00 0.00 0.00 54.91 55.30 2wka h ALA 371 Cb 0.40 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2wka h ALA 371 CO -0.06 -0.42 0.34 -0.22 0.00 0.00 0.00 179.25 178.90 2wka h LYS 372 N 0.01 0.59 -0.67 0.00 1.63 -0.69 -0.90 116.57 116.55 2wka h LYS 372 Ca 0.45 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.15 2wka h LYS 372 Cb 0.74 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 2wka h LYS 372 CO -0.90 0.39 0.15 0.82 -3.45 0.00 0.00 179.45 176.47 2wka h ILE 373 N 0.61 1.26 -0.78 2.00 2.04 0.14 -0.42 117.51 122.36 2wka h ILE 373 Ca 0.32 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2wka h ILE 373 Cb 0.29 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2wka h ILE 373 CO -0.23 0.36 0.31 0.40 0.00 0.00 0.00 178.15 178.99 2wka h ILE 374 N 1.01 1.26 -0.10 -0.67 2.04 -0.77 -2.00 117.51 118.29 2wka h ILE 374 Ca 0.21 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2wka h ILE 374 Cb 0.37 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2wka h ILE 374 CO 0.00 0.33 -0.01 -0.08 0.00 0.00 0.00 178.15 178.39 2wka h GLU 375 N 1.13 0.18 -0.99 2.37 4.81 -0.66 0.11 114.58 121.53 2wka h GLU 375 Ca 0.26 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2wka h GLU 375 Cb 0.21 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2wka h GLU 375 CO -0.02 0.47 0.64 0.28 -0.73 0.00 0.00 179.01 179.65 2wka h VAL 376 N -0.13 1.26 -0.10 0.32 2.07 -1.04 -1.18 116.25 117.44 2wka h VAL 376 Ca 0.03 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 2wka h VAL 376 Cb 0.40 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2wka h VAL 376 CO 0.01 0.25 -0.56 0.00 0.02 0.00 0.00 177.57 177.29 2wka h SER 378 N 0.24 0.39 -0.47 0.00 0.87 -0.13 -0.76 113.55 113.69 2wka h SER 378 Ca 0.00 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2wka h SER 378 Cb 1.06 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2wka h SER 378 CO 0.09 0.36 0.12 0.44 -0.53 0.00 0.00 176.83 177.31 2wka h ASP 379 N 0.38 0.71 -0.77 6.23 3.45 -1.14 -0.94 116.42 124.35 2wka h ASP 379 Ca 0.11 -0.23 0.10 0.00 0.43 0.00 0.00 57.03 57.44 2wka h ASP 379 Cb 0.06 -0.19 -0.07 0.00 -0.56 0.00 0.00 39.33 38.57 2wka h ASP 379 CO -0.02 0.76 0.41 0.00 -1.57 0.00 0.00 179.24 178.82 2wka h ALA 380 N 0.98 1.09 0.14 3.45 0.00 -0.84 0.39 119.26 124.47 2wka h ALA 380 Ca 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2wka h ALA 380 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wka h ALA 380 CO 0.00 -0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.46 2wka h VAL 381 N 0.67 0.00 -0.87 0.00 2.07 -0.94 0.78 116.25 117.96 2wka h VAL 381 Ca 0.38 -0.04 0.23 0.00 0.82 0.00 0.00 66.70 68.09 2wka h VAL 381 Cb 0.40 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.03 2wka h VAL 381 CO -0.27 0.00 0.16 0.78 0.02 0.00 0.00 177.57 178.25 2wka h ASN 382 N -0.23 -0.14 0.00 0.57 -0.26 -0.90 -3.31 115.58 111.31 2wka h ASN 382 Ca -0.02 0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 2wka h ASN 382 Cb 0.15 0.31 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 2wka h ASN 382 CO 0.03 -0.19 -0.92 0.00 -1.06 0.00 0.00 177.43 175.29 2wka n TYR 383 N -5.29 0.00 -1.70 1.19 -0.00 0.13 -5.06 117.16 106.44 2wka n TYR 383 Ca 0.20 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.67 2wka n TYR 383 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.98 2wka n TYR 383 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2wka n GLY 384 N 2.33 0.75 2.18 2.98 0.00 0.27 -4.86 105.19 108.85 2wka n GLY 384 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 2wka n GLY 384 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wka n ASP 385 N 1.38 6.75 -3.19 1.61 2.03 -1.26 -4.81 116.55 119.05 2wka n ASP 385 Ca 0.07 -2.62 -0.05 0.00 0.52 0.00 0.00 54.79 52.71 2wka n ASP 385 Cb 0.35 -1.45 0.02 0.00 -0.72 0.00 0.00 41.12 39.32 2wka n ASP 385 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2wka s PHE 386 N 1.01 0.09 0.34 -0.67 -0.12 -1.26 -5.02 117.98 112.34 2wka s PHE 386 Ca 0.66 -0.60 0.05 0.00 -0.05 0.00 0.00 56.93 56.99 2wka s PHE 386 Cb 0.27 0.76 -0.07 0.00 -0.63 0.00 0.00 43.02 43.35 2wka s PHE 386 CO -0.05 -1.19 0.04 1.52 -0.05 0.00 0.00 175.22 175.49 2wka s TYR 387 N -2.25 2.08 0.01 3.49 -0.85 -1.26 -5.01 117.35 113.56 2wka s TYR 387 Ca 0.19 -0.87 0.05 0.00 -0.52 0.00 0.00 57.07 55.91 2wka s TYR 387 Cb -0.04 -1.37 -0.02 0.00 0.38 0.00 0.00 41.96 40.92 2wka s TYR 387 CO 0.08 0.12 -0.14 -0.06 -1.52 0.00 0.00 175.55 174.03 2wka s PHE 388 N -3.15 1.26 -2.38 -3.49 0.08 -1.26 -4.77 117.98 104.27 2wka s PHE 388 Ca 0.36 -0.29 0.29 0.00 0.12 0.00 0.00 56.93 57.41 2wka s PHE 388 Cb 0.09 -0.79 1.26 0.00 -0.57 0.00 0.00 43.02 43.01 2wka s PHE 388 CO 0.16 0.01 1.86 0.54 -0.10 0.00 0.00 175.22 177.69