#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bws s THR 51 N 0.00 0.34 -0.05 2.61 -4.23 -1.26 -1.90 115.64 111.15 3bws s THR 51 Ca 0.00 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 3bws s THR 51 Cb 0.00 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 72.27 3bws s THR 51 CO 0.00 -0.95 -0.11 -0.70 -0.54 0.00 0.00 174.62 172.32 3bws s GLU 52 N -3.90 1.40 -0.07 3.99 2.12 0.59 -4.87 118.70 117.96 3bws s GLU 52 Ca 0.09 -0.38 -0.26 0.00 0.36 0.00 0.00 54.97 54.78 3bws s GLU 52 Cb 0.07 -1.22 -0.03 0.00 0.26 0.00 0.00 34.13 33.22 3bws s GLU 52 CO -0.08 0.07 0.85 0.42 -0.54 0.00 0.00 175.26 175.98 3bws s ILE 53 N 0.46 4.93 0.17 -3.70 -1.09 -1.26 -0.13 121.20 120.57 3bws s ILE 53 Ca -0.09 1.74 0.09 0.00 -2.23 0.00 0.00 60.65 60.15 3bws s ILE 53 Cb -0.13 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 3bws s ILE 53 CO 0.02 0.15 -0.18 0.68 -1.23 0.00 0.00 174.94 174.38 3bws s VAL 54 N 1.27 1.84 -0.08 2.92 -7.23 -1.26 -4.98 120.40 112.88 3bws s VAL 54 Ca 0.43 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3bws s VAL 54 Cb -0.19 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3bws s VAL 54 CO 0.20 -0.31 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.00 3bws s LYS 55 N -2.80 1.91 0.28 4.82 1.02 -1.26 -4.29 119.74 119.42 3bws s LYS 55 Ca 0.16 -0.47 -0.19 0.00 0.02 0.00 0.00 55.97 55.49 3bws s LYS 55 Cb -0.06 -1.60 0.02 0.00 -0.52 0.00 0.00 37.83 35.67 3bws s LYS 55 CO 0.07 -0.01 0.68 -0.59 -0.92 0.00 0.00 175.35 174.58 3bws s PHE 56 N 0.80 -0.09 0.04 3.18 -0.71 -0.88 -0.75 117.98 119.57 3bws s PHE 56 Ca -0.11 -0.36 0.04 0.00 -1.04 0.00 0.00 56.93 55.46 3bws s PHE 56 Cb -0.16 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 3bws s PHE 56 CO 0.02 -1.20 -0.07 -1.12 -1.34 0.00 0.00 175.22 171.51 3bws s SER 57 N -2.94 4.57 0.03 1.98 0.01 -0.28 -0.29 113.70 116.78 3bws s SER 57 Ca 0.13 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.24 3bws s SER 57 Cb -0.05 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.15 3bws s SER 57 CO 0.07 0.24 -0.19 0.27 0.41 0.00 0.00 173.24 174.05 3bws s ILE 58 N -1.08 1.50 -0.21 1.44 -4.36 -0.25 -1.12 121.20 117.12 3bws s ILE 58 Ca 0.19 -1.08 -0.04 0.00 -0.26 0.00 0.00 60.65 59.46 3bws s ILE 58 Cb -0.11 -1.30 0.10 0.00 1.25 0.00 0.00 42.46 42.40 3bws s ILE 58 CO 0.10 0.19 0.24 -2.28 0.24 0.00 0.00 174.94 173.43 3bws s HIS 59 N -0.75 -0.33 0.57 1.37 2.46 -0.54 -1.49 115.29 116.58 3bws s HIS 59 Ca 0.06 0.25 -0.07 0.00 0.47 0.00 0.00 55.06 55.77 3bws s HIS 59 Cb -0.08 -0.34 -0.02 0.00 -0.13 0.00 0.00 32.58 32.01 3bws s HIS 59 CO 0.01 -0.63 0.91 -1.25 -2.47 0.00 0.00 174.74 171.32 3bws s PRO 60 N 2.35 3.29 -0.18 2.88 0.04 -1.26 -0.62 135.00 141.50 3bws s PRO 60 Ca 0.08 0.29 0.12 0.00 0.04 0.00 0.00 61.00 61.53 3bws s PRO 60 Cb -0.16 -2.24 -0.23 0.00 0.04 0.00 0.00 34.50 31.92 3bws s PRO 60 CO -0.13 -0.53 0.14 2.48 0.04 0.00 0.00 177.00 179.00 3bws n TYR 61 N -2.55 0.27 -1.87 0.56 4.11 -0.95 -4.70 117.16 112.03 3bws n TYR 61 Ca 0.04 0.08 -0.42 0.00 -0.00 0.00 0.00 57.90 57.60 3bws n TYR 61 Cb 0.56 -1.05 -0.03 0.00 -0.00 0.00 0.00 39.34 38.82 3bws n TYR 61 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 3bws s LYS 62 N -2.52 4.18 0.00 -3.48 1.02 -1.26 -1.89 119.74 115.79 3bws s LYS 62 Ca -0.15 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.23 3bws s LYS 62 Cb 0.07 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 3bws s LYS 62 CO 0.78 -0.80 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 3bws n GLY 63 N 4.13 1.33 3.72 -3.33 0.00 -1.26 -4.75 105.19 105.03 3bws n GLY 63 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3bws n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bws s THR 64 N -3.65 4.85 -0.00 2.61 2.01 -0.79 -4.34 115.64 116.33 3bws s THR 64 Ca 0.00 1.89 0.08 0.00 0.31 0.00 0.00 61.69 63.97 3bws s THR 64 Cb 0.00 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 3bws s THR 64 CO 0.00 0.21 -0.26 0.54 -0.69 0.00 0.00 174.62 174.43 3bws s VAL 65 N 0.76 2.03 -0.11 3.82 0.11 0.24 -4.99 120.40 122.27 3bws s VAL 65 Ca 0.47 -1.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 3bws s VAL 65 Cb -0.21 -1.70 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 3bws s VAL 65 CO 0.26 0.52 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.73 3bws s ILE 66 N -0.65 2.58 0.13 7.04 1.01 -1.26 -1.64 121.20 128.41 3bws s ILE 66 Ca 0.10 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 60.01 3bws s ILE 66 Cb -0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3bws s ILE 66 CO -0.00 0.54 -0.21 -0.13 0.00 0.00 0.00 174.94 175.13 3bws s ARG 67 N 0.33 1.22 -0.03 2.79 0.52 0.57 -0.97 118.95 123.38 3bws s ARG 67 Ca -0.14 -1.27 -0.01 0.00 -0.52 0.00 0.00 55.73 53.79 3bws s ARG 67 Cb -0.17 -1.49 0.03 0.00 0.52 0.00 0.00 34.95 33.85 3bws s ARG 67 CO 0.07 0.34 0.05 -1.17 0.02 0.00 0.00 175.30 174.61 3bws s LEU 68 N -2.14 0.70 -1.33 2.53 2.96 0.32 -0.35 118.68 121.37 3bws s LEU 68 Ca 0.10 0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 3bws s LEU 68 Cb -0.09 -0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.54 3bws s LEU 68 CO 0.05 -0.18 0.49 0.61 -1.32 0.00 0.00 176.35 176.01 3bws n GLY 69 N 4.61 -0.33 2.70 7.98 0.00 -1.26 -2.16 105.19 116.72 3bws n GLY 69 Ca -0.19 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3bws n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bws n GLU 70 N -3.48 -1.52 -4.26 1.61 1.02 -1.26 -4.98 120.64 107.77 3bws n GLU 70 Ca -0.10 0.87 -0.26 0.00 -0.02 0.00 0.00 57.16 57.64 3bws n GLU 70 Cb 0.61 -5.19 -0.08 0.00 -0.02 0.00 0.00 31.44 26.75 3bws n GLU 70 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3bws s GLU 71 N -2.85 2.22 0.20 3.49 2.02 -0.92 -5.10 118.70 117.77 3bws s GLU 71 Ca 0.00 -1.24 -0.30 0.00 0.02 0.00 0.00 54.97 53.45 3bws s GLU 71 Cb 0.00 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 3bws s GLU 71 CO 0.00 0.43 1.25 0.42 0.02 0.00 0.00 175.26 177.38 3bws s ILE 72 N -1.83 3.36 -0.46 -1.63 -1.09 -1.26 -0.52 121.20 117.77 3bws s ILE 72 Ca 0.27 1.14 -0.14 0.00 -2.23 0.00 0.00 60.65 59.69 3bws s ILE 72 Cb -0.09 -3.73 0.07 0.00 -1.58 0.00 0.00 42.46 37.14 3bws s ILE 72 CO 0.17 0.18 0.37 -0.76 -1.23 0.00 0.00 174.94 173.67 3bws s LEU 73 N -0.29 5.52 0.34 2.97 1.43 -0.14 -4.80 118.68 123.71 3bws s LEU 73 Ca 0.54 -1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.02 3bws s LEU 73 Cb -0.35 -2.15 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 3bws s LEU 73 CO 0.38 -0.62 1.26 -2.84 0.23 0.00 0.00 176.35 174.77 3bws s PRO 74 N 1.60 4.31 0.08 1.29 0.02 -1.26 -4.56 135.00 136.48 3bws s PRO 74 Ca 0.04 2.11 0.05 0.00 0.02 0.00 0.00 61.00 63.23 3bws s PRO 74 Cb -0.24 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 3bws s PRO 74 CO 0.06 -0.19 -0.14 -0.59 -0.33 0.00 0.00 177.00 175.81 3bws s PHE 75 N -1.19 1.26 -0.14 6.54 -0.71 -1.26 -4.22 117.98 118.25 3bws s PHE 75 Ca 0.50 -0.49 -0.03 0.00 -1.04 0.00 0.00 56.93 55.88 3bws s PHE 75 Cb -0.38 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 40.71 3bws s PHE 75 CO 0.49 0.07 -0.06 0.21 -1.34 0.00 0.00 175.22 174.60 3bws s LYS 76 N -1.97 3.56 0.04 1.99 2.20 0.48 -4.91 119.74 121.12 3bws s LYS 76 Ca 0.01 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 3bws s LYS 76 Cb -0.09 -2.84 -0.05 0.00 -1.51 0.00 0.00 37.83 33.34 3bws s LYS 76 CO 0.02 0.27 1.25 0.08 -0.36 0.00 0.00 175.35 176.61 3bws s VAL 77 N 0.27 3.94 -0.26 4.02 1.01 -1.26 -0.33 120.40 127.78 3bws s VAL 77 Ca -0.04 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 3bws s VAL 77 Cb -0.14 -3.88 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3bws s VAL 77 CO 0.03 0.07 -0.26 0.18 0.00 0.00 0.00 175.10 175.12 3bws n LEU 78 N 4.35 2.65 -3.90 3.92 4.77 0.12 -4.93 117.00 123.97 3bws n LEU 78 Ca 0.10 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 3bws n LEU 78 Cb 0.45 -0.88 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 3bws n LEU 78 CO 0.56 0.82 -0.22 -1.61 -1.33 0.00 0.00 177.39 175.61 3bws s GLU 79 N -2.52 0.45 -0.05 3.23 2.02 -1.04 -4.98 118.70 115.81 3bws s GLU 79 Ca -0.36 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.19 3bws s GLU 79 Cb 0.11 0.18 -0.00 0.00 0.10 0.00 0.00 34.13 34.52 3bws s GLU 79 CO 0.57 -0.10 -0.16 -1.64 0.02 0.00 0.00 175.26 173.94 3bws s MET 80 N -1.49 1.82 -0.35 1.61 -1.94 -1.26 -1.41 119.30 116.27 3bws s MET 80 Ca -0.14 -0.58 -0.00 0.00 -1.71 0.00 0.00 55.69 53.25 3bws s MET 80 Cb -0.08 -1.55 0.12 0.00 2.01 0.00 0.00 34.83 35.33 3bws s MET 80 CO 0.01 0.20 0.17 0.34 -0.01 0.00 0.00 175.02 175.72 3bws s ASP 81 N 0.17 3.57 0.91 3.03 2.15 0.70 -5.01 116.67 122.19 3bws s ASP 81 Ca -0.07 -1.95 0.00 0.00 0.43 0.00 0.00 52.55 50.96 3bws s ASP 81 Cb -0.12 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 3bws s ASP 81 CO 0.03 -0.36 0.00 0.29 -0.17 0.00 0.00 175.17 174.96 3bws n LYS 82 N 4.40 0.00 -0.08 4.34 4.01 -1.26 -1.09 118.16 128.47 3bws n LYS 82 Ca 0.03 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.94 3bws n LYS 82 Cb 0.39 0.00 0.37 0.00 -0.51 0.00 0.00 35.03 35.28 3bws n LYS 82 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3bws n ASN 83 N 5.67 1.62 -4.55 4.39 3.02 -1.26 -4.84 115.26 119.31 3bws n ASN 83 Ca 0.00 -1.71 -0.35 0.00 -0.03 0.00 0.00 54.58 52.49 3bws n ASN 83 Cb 0.00 -0.11 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 3bws n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bws s ILE 84 N -1.78 4.49 -0.05 2.41 1.01 -0.25 -2.23 121.20 124.80 3bws s ILE 84 Ca 0.32 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.89 3bws s ILE 84 Cb 0.17 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3bws s ILE 84 CO 0.25 0.42 -0.20 0.00 0.00 0.00 0.00 174.94 175.42 3bws s ALA 85 N 0.77 2.38 -0.14 9.38 0.00 -0.56 -0.22 121.76 133.38 3bws s ALA 85 Ca 0.03 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 3bws s ALA 85 Cb -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3bws s ALA 85 CO 0.02 0.47 0.64 -1.17 0.00 0.00 0.00 175.76 175.72 3bws s LEU 86 N -0.39 4.22 0.27 0.00 2.96 -0.50 -1.09 118.68 124.15 3bws s LEU 86 Ca 0.04 0.96 0.06 0.00 -0.22 0.00 0.00 54.13 54.97 3bws s LEU 86 Cb -0.12 -2.93 -0.06 0.00 0.50 0.00 0.00 46.19 43.58 3bws s LEU 86 CO 0.02 -0.18 -0.06 0.68 -1.32 0.00 0.00 176.35 175.49 3bws s VAL 87 N 1.35 1.59 0.25 1.68 -7.23 0.60 0.13 120.40 118.77 3bws s VAL 87 Ca 0.31 -2.12 0.08 0.00 -1.81 0.00 0.00 61.98 58.44 3bws s VAL 87 Cb -0.16 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3bws s VAL 87 CO 0.13 -0.32 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.78 3bws s GLU 88 N -3.74 1.49 -0.06 4.82 2.12 0.55 -2.08 118.70 121.81 3bws s GLU 88 Ca 0.29 -1.71 0.03 0.00 0.36 0.00 0.00 54.97 53.94 3bws s GLU 88 Cb 0.04 -1.25 0.01 0.00 0.26 0.00 0.00 34.13 33.18 3bws s GLU 88 CO 0.11 0.14 -0.16 0.00 -0.54 0.00 0.00 175.26 174.82 3bws s ALA 90 N -2.91 1.49 -0.10 6.30 0.00 -1.26 -0.39 121.76 124.89 3bws s ALA 90 Ca 0.27 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3bws s ALA 90 Cb 0.01 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3bws s ALA 90 CO 0.10 0.20 -0.19 0.42 0.00 0.00 0.00 175.76 176.30 3bws s ILE 91 N 0.38 1.69 0.21 0.00 1.01 0.82 -4.85 121.20 120.45 3bws s ILE 91 Ca -0.11 -0.79 -0.32 0.00 0.00 0.00 0.00 60.65 59.43 3bws s ILE 91 Cb -0.14 -1.51 -0.15 0.00 0.01 0.00 0.00 42.46 40.68 3bws s ILE 91 CO 0.04 0.48 1.28 -2.65 0.00 0.00 0.00 174.94 174.09 3bws n PRO 92 N 3.87 1.59 -2.81 2.79 -0.02 -1.26 -0.30 135.00 138.86 3bws n PRO 92 Ca -0.20 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3bws n PRO 92 Cb 0.52 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 3bws n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3bws s VAL 93 N -0.15 4.23 0.32 -1.45 -7.23 -0.80 -4.80 120.40 110.52 3bws s VAL 93 Ca 0.70 -0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 60.35 3bws s VAL 93 Cb -0.75 -4.72 -0.09 0.00 0.56 0.00 0.00 36.38 31.37 3bws s VAL 93 CO 0.51 -1.52 1.10 -0.31 -0.31 0.00 0.00 175.10 174.56 3bws s TYR 94 N 4.33 3.46 0.24 2.82 1.51 -1.26 -4.81 117.35 123.64 3bws s TYR 94 Ca 0.24 1.67 0.03 0.00 -1.01 0.00 0.00 57.07 58.01 3bws s TYR 94 Cb -0.15 -3.26 0.03 0.00 -0.11 0.00 0.00 41.96 38.46 3bws s TYR 94 CO 0.11 -0.64 0.27 0.36 -1.11 0.00 0.00 175.55 174.54 3bws n LYS 95 N 0.82 0.96 -2.41 -0.62 2.85 -1.26 -4.74 118.16 113.76 3bws n LYS 95 Ca 0.01 -1.36 -0.19 0.00 -1.05 0.00 0.00 58.31 55.72 3bws n LYS 95 Cb 0.46 -0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.83 3bws n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3bws n ASP 96 N -2.41 -5.50 -2.16 -5.58 8.00 -1.26 -1.57 116.55 106.06 3bws n ASP 96 Ca 0.04 0.03 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 3bws n ASP 96 Cb 0.25 -4.60 -0.01 0.00 -0.02 0.00 0.00 41.12 36.75 3bws n ASP 96 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bws n GLU 97 N -2.97 -1.53 -2.75 -1.24 4.71 -1.26 -4.96 120.64 110.64 3bws n GLU 97 Ca -0.23 0.94 -0.42 0.00 -0.01 0.00 0.00 57.16 57.45 3bws n GLU 97 Cb 0.67 -5.50 -0.03 0.00 -1.01 0.00 0.00 31.44 25.57 3bws n GLU 97 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3bws s LYS 98 N -4.90 4.57 0.10 3.49 1.02 -0.61 -5.02 119.74 118.39 3bws s LYS 98 Ca 0.00 1.37 -0.29 0.00 0.02 0.00 0.00 55.97 57.07 3bws s LYS 98 Cb 0.00 -3.44 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 3bws s LYS 98 CO 0.00 0.01 0.93 -2.00 -0.92 0.00 0.00 175.35 173.38 3bws s GLU 99 N 0.80 4.67 -0.37 1.68 2.12 -1.26 -4.81 118.70 121.53 3bws s GLU 99 Ca 0.50 1.40 -0.22 0.00 0.36 0.00 0.00 54.97 57.00 3bws s GLU 99 Cb -0.21 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.81 3bws s GLU 99 CO 0.27 0.22 0.72 0.42 -0.54 0.00 0.00 175.26 176.36 3bws s ILE 100 N -0.01 4.80 -0.38 -3.70 1.01 -0.86 -4.99 121.20 117.07 3bws s ILE 100 Ca 0.46 0.72 -0.01 0.00 0.00 0.00 0.00 60.65 61.82 3bws s ILE 100 Cb -0.23 -4.16 0.10 0.00 0.01 0.00 0.00 42.46 38.18 3bws s ILE 100 CO 0.29 -0.40 0.15 -0.70 0.00 0.00 0.00 174.94 174.27 3bws s GLU 101 N 2.94 1.92 0.25 2.79 2.12 -1.26 -0.26 118.70 127.19 3bws s GLU 101 Ca 0.28 -1.78 -0.30 0.00 0.36 0.00 0.00 54.97 53.54 3bws s GLU 101 Cb -0.14 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 3bws s GLU 101 CO 0.16 -0.99 1.03 -0.51 -0.54 0.00 0.00 175.26 174.41 3bws s LEU 102 N 1.09 4.58 -0.21 2.70 1.43 -0.00 -4.56 118.68 123.72 3bws s LEU 102 Ca 0.07 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.29 3bws s LEU 102 Cb -0.22 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.41 3bws s LEU 102 CO -0.05 -0.03 -0.15 -0.54 0.23 0.00 0.00 176.35 175.81 3bws s LYS 103 N -1.17 2.88 -0.06 1.70 1.02 0.53 -0.69 119.74 123.94 3bws s LYS 103 Ca 0.44 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.52 3bws s LYS 103 Cb -0.29 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 3bws s LYS 103 CO 0.36 -0.29 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.93 3bws s LEU 104 N 1.28 3.19 0.01 3.17 1.02 0.19 -0.32 118.68 127.22 3bws s LEU 104 Ca 0.02 -0.03 -0.14 0.00 0.02 0.00 0.00 54.13 54.00 3bws s LEU 104 Cb -0.15 -1.71 0.02 0.00 0.02 0.00 0.00 46.19 44.37 3bws s LEU 104 CO -0.10 0.35 0.30 -0.94 0.02 0.00 0.00 176.35 175.99 3bws s SER 105 N -0.88 -0.15 -0.25 2.29 1.04 -0.65 -1.35 113.70 113.75 3bws s SER 105 Ca 0.13 -0.05 -0.26 0.00 0.48 0.00 0.00 55.95 56.26 3bws s SER 105 Cb -0.11 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.42 3bws s SER 105 CO 0.02 -0.52 0.79 -0.55 0.98 0.00 0.00 173.24 173.96 3bws s SER 106 N -1.66 -0.67 0.26 7.02 0.15 -1.26 -0.59 113.70 116.95 3bws s SER 106 Ca -0.10 1.23 -0.31 0.00 0.70 0.00 0.00 55.95 57.47 3bws s SER 106 Cb -0.03 1.22 -0.12 0.00 -1.71 0.00 0.00 66.02 65.38 3bws s SER 106 CO 0.01 -0.27 1.65 -2.65 1.20 0.00 0.00 173.24 173.18 3bws n PRO 107 N 2.36 2.75 -0.44 5.44 -0.02 -1.26 -1.50 135.00 142.33 3bws n PRO 107 Ca -0.14 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3bws n PRO 107 Cb 0.55 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3bws n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bws n GLY 108 N 2.85 1.18 3.39 -1.23 0.00 -1.26 -5.04 105.19 105.07 3bws n GLY 108 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3bws n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bws s PHE 109 N -3.09 2.16 0.38 1.61 0.08 -0.56 -0.97 117.98 117.59 3bws s PHE 109 Ca 0.00 -0.39 -0.26 0.00 0.12 0.00 0.00 56.93 56.40 3bws s PHE 109 Cb 0.00 -1.10 -0.09 0.00 -0.57 0.00 0.00 43.02 41.26 3bws s PHE 109 CO 0.00 0.41 1.14 -0.65 -0.10 0.00 0.00 175.22 176.01 3bws s GLN 110 N -2.50 4.17 0.35 0.44 -0.21 0.16 -4.54 119.66 117.53 3bws s GLN 110 Ca 0.17 1.77 -0.29 0.00 0.02 0.00 0.00 55.36 57.03 3bws s GLN 110 Cb -0.08 -2.73 -0.11 0.00 1.00 0.00 0.00 33.01 31.09 3bws s GLN 110 CO 0.08 -0.20 1.47 -0.80 -2.12 0.00 0.00 175.29 173.72 3bws s ASN 111 N -1.18 6.44 -0.03 5.90 0.01 -1.26 -4.42 114.94 120.41 3bws s ASN 111 Ca 0.55 2.95 0.07 0.00 -0.71 0.00 0.00 52.86 55.72 3bws s ASN 111 Cb -0.29 -2.66 -0.02 0.00 0.41 0.00 0.00 41.25 38.70 3bws s ASN 111 CO 0.37 -0.81 -0.23 -0.44 -1.51 0.00 0.00 177.10 174.48 3bws s SER 112 N -0.08 2.72 -0.16 -1.22 0.01 -0.46 -4.99 113.70 109.54 3bws s SER 112 Ca 0.54 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 57.32 3bws s SER 112 Cb -0.45 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.33 3bws s SER 112 CO 0.58 0.27 0.00 -0.44 0.41 0.00 0.00 173.24 174.06 3bws s SER 113 N -0.44 5.16 -0.26 2.44 0.01 -1.26 -0.64 113.70 118.71 3bws s SER 113 Ca 0.06 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.32 3bws s SER 113 Cb -0.10 -1.82 0.07 0.00 0.21 0.00 0.00 66.02 64.38 3bws s SER 113 CO 0.00 0.19 -0.05 -0.47 0.41 0.00 0.00 173.24 173.32 3bws s TYR 114 N 0.22 2.93 -0.24 2.43 5.04 0.13 -4.97 117.35 122.90 3bws s TYR 114 Ca 0.00 -2.18 -0.13 0.00 -2.44 0.00 0.00 57.07 52.32 3bws s TYR 114 Cb -0.13 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 3bws s TYR 114 CO 0.02 -0.85 0.30 1.03 -1.34 0.00 0.00 175.55 174.71 3bws s ARG 115 N 1.21 4.08 0.16 4.97 0.52 -1.26 -0.82 118.95 127.80 3bws s ARG 115 Ca -0.04 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.21 3bws s ARG 115 Cb -0.19 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 3bws s ARG 115 CO -0.07 -0.09 -0.16 0.96 0.02 0.00 0.00 175.30 175.96 3bws s ILE 116 N 1.49 1.65 -0.15 1.52 -4.36 0.64 -5.01 121.20 116.97 3bws s ILE 116 Ca 0.13 -1.90 -0.24 0.00 -0.26 0.00 0.00 60.65 58.37 3bws s ILE 116 Cb -0.15 -1.78 -0.24 0.00 1.25 0.00 0.00 42.46 41.54 3bws s ILE 116 CO 0.08 -0.40 0.55 -0.09 0.24 0.00 0.00 174.94 175.32 3bws h ARG 117 N 3.22 0.05 -4.82 0.37 2.43 -1.94 -2.27 114.38 111.41 3bws h ARG 117 Ca -0.41 -0.08 -0.32 0.00 -0.81 0.00 0.00 59.98 58.36 3bws h ARG 117 Cb 1.20 0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 30.57 3bws h ARG 117 CO 0.53 1.04 -0.75 0.15 -1.51 0.00 0.00 179.97 179.43 3bws s LYS 118 N -2.31 0.62 0.24 0.20 -0.14 -1.26 -4.70 119.74 112.40 3bws s LYS 118 Ca -0.22 -0.82 -0.09 0.00 -1.36 0.00 0.00 55.97 53.48 3bws s LYS 118 Cb 0.01 -0.47 0.39 0.00 -1.68 0.00 0.00 37.83 36.08 3bws s LYS 118 CO 0.67 0.09 1.61 -1.35 -0.76 0.00 0.00 175.35 175.62 3bws h PRO 119 N 4.44 0.03 -0.01 -1.68 0.11 -1.92 -2.15 132.00 130.83 3bws h PRO 119 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3bws h PRO 119 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bws h PRO 119 CO 0.40 0.02 0.09 0.93 -0.21 0.00 0.00 178.00 179.24 3bws h GLU 120 N 0.03 0.00 0.00 1.05 3.07 -1.94 -1.17 114.58 115.63 3bws h GLU 120 Ca 0.40 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.25 3bws h GLU 120 Cb 0.66 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3bws h GLU 120 CO -0.76 0.00 -0.03 0.93 -1.40 0.00 0.00 179.01 177.75 3bws h GLU 121 N 0.00 0.00 0.00 2.33 5.08 -1.82 -2.06 114.58 118.12 3bws h GLU 121 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bws h GLU 121 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3bws h GLU 121 CO -0.00 0.03 0.00 1.25 -1.00 0.00 0.00 179.01 179.29 3bws h LEU 122 N 0.00 0.00 -9.53 1.33 5.85 -1.39 -3.45 115.31 108.12 3bws h LEU 122 Ca -0.00 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 3bws h LEU 122 Cb 0.10 0.00 0.05 0.00 0.37 0.00 0.00 40.66 41.19 3bws h LEU 122 CO 0.00 0.00 0.88 0.59 -0.34 0.00 0.00 178.44 179.58 3bws n ASN 123 N -3.10 3.37 0.00 1.25 5.03 -0.78 -2.01 115.26 119.04 3bws n ASN 123 Ca 0.04 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.55 3bws n ASN 123 Cb 0.50 -1.46 0.00 0.00 -1.02 0.00 0.00 39.78 37.79 3bws n ASN 123 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3bws n GLU 124 N 3.87 -0.87 -1.83 3.52 1.02 0.07 -4.99 120.64 121.44 3bws n GLU 124 Ca 0.17 0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 57.23 3bws n GLU 124 Cb 0.31 -3.94 0.05 0.00 -0.02 0.00 0.00 31.44 27.84 3bws n GLU 124 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3bws s LYS 125 N -0.94 2.73 -0.16 3.49 -0.14 -0.85 -4.86 119.74 119.02 3bws s LYS 125 Ca 0.00 0.49 0.02 0.00 -1.36 0.00 0.00 55.97 55.12 3bws s LYS 125 Cb 0.00 -2.00 0.01 0.00 -1.68 0.00 0.00 37.83 34.16 3bws s LYS 125 CO 0.00 -1.13 -0.21 -1.17 -0.76 0.00 0.00 175.35 172.08 3bws s LEU 126 N -5.43 2.09 -0.39 3.17 2.96 -1.26 -1.13 118.68 118.69 3bws s LEU 126 Ca 0.59 -0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 3bws s LEU 126 Cb -0.12 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.16 3bws s LEU 126 CO 0.52 0.04 0.24 -0.63 -1.32 0.00 0.00 176.35 175.20 3bws s ILE 127 N 1.03 4.77 -0.24 6.68 1.01 -0.27 -4.61 121.20 129.57 3bws s ILE 127 Ca -0.02 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3bws s ILE 127 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3bws s ILE 127 CO -0.07 -0.28 0.05 0.00 0.00 0.00 0.00 174.94 174.64 3bws s ALA 128 N 1.58 3.09 0.57 9.38 0.00 -1.26 -1.47 121.76 133.65 3bws s ALA 128 Ca 0.03 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 3bws s ALA 128 Cb -0.19 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 3bws s ALA 128 CO 0.07 -0.46 1.02 -0.51 0.00 0.00 0.00 175.76 175.89 3bws s LEU 129 N 1.55 3.51 -0.17 0.00 1.43 0.21 -4.72 118.68 120.48 3bws s LEU 129 Ca 0.06 1.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 3bws s LEU 129 Cb -0.15 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 3bws s LEU 129 CO 0.02 -0.90 0.41 -1.81 0.23 0.00 0.00 176.35 174.30 3bws s ASP 130 N -3.08 6.51 0.32 2.29 1.01 -1.26 -4.81 116.67 117.65 3bws s ASP 130 Ca 0.60 0.60 -0.29 0.00 0.71 0.00 0.00 52.55 54.18 3bws s ASP 130 Cb -0.13 -2.24 -0.12 0.00 1.01 0.00 0.00 42.92 41.44 3bws s ASP 130 CO 0.37 -0.03 1.47 1.17 0.21 0.00 0.00 175.17 178.35 3bws n LYS 131 N 4.13 2.47 -1.63 8.23 4.81 -1.26 0.40 118.16 135.31 3bws n LYS 131 Ca -0.08 0.87 -0.47 0.00 -0.87 0.00 0.00 58.31 57.75 3bws n LYS 131 Cb 0.51 -2.58 -0.04 0.00 0.02 0.00 0.00 35.03 32.95 3bws n LYS 131 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3bws n GLU 132 N 1.25 1.67 0.00 1.64 1.02 -0.15 -2.64 120.64 123.43 3bws n GLU 132 Ca 0.06 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3bws n GLU 132 Cb 0.36 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 3bws n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bws n GLY 133 N 2.48 3.36 3.82 0.62 0.00 -1.26 -5.01 105.19 109.21 3bws n GLY 133 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3bws n GLY 133 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bws s ILE 134 N -2.56 4.20 -0.14 -0.61 -4.36 -1.08 -4.97 121.20 111.67 3bws s ILE 134 Ca 0.00 1.11 0.17 0.00 -0.26 0.00 0.00 60.65 61.67 3bws s ILE 134 Cb 0.00 -3.57 0.31 0.00 1.25 0.00 0.00 42.46 40.45 3bws s ILE 134 CO 0.00 -0.54 1.19 0.35 0.24 0.00 0.00 174.94 176.18 3bws n THR 135 N -1.57 1.87 -3.95 8.37 -2.24 -1.26 -4.89 114.28 110.60 3bws n THR 135 Ca 0.08 -2.07 -0.28 0.00 -2.27 0.00 0.00 64.05 59.50 3bws n THR 135 Cb 0.53 -0.17 -0.17 0.00 -2.10 0.00 0.00 70.33 68.43 3bws n THR 135 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3bws s HIS 136 N -2.68 1.81 -0.15 4.78 3.76 -1.26 -1.12 115.29 120.43 3bws s HIS 136 Ca 0.31 -0.99 -0.06 0.00 -0.15 0.00 0.00 55.06 54.17 3bws s HIS 136 Cb 0.26 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.52 3bws s HIS 136 CO 0.04 -0.59 0.06 1.03 -0.85 0.00 0.00 174.74 174.43 3bws s ARG 137 N 1.60 3.63 0.19 1.40 1.81 0.40 -4.80 118.95 123.18 3bws s ARG 137 Ca 0.04 -0.31 -0.32 0.00 -1.72 0.00 0.00 55.73 53.42 3bws s ARG 137 Cb -0.13 -3.11 -0.11 0.00 -0.45 0.00 0.00 34.95 31.15 3bws s ARG 137 CO -0.09 0.48 1.61 0.12 -0.68 0.00 0.00 175.30 176.74 3bws s PHE 138 N -0.23 3.00 -0.10 -0.53 5.36 -1.26 -0.07 117.98 124.15 3bws s PHE 138 Ca 0.08 0.56 -0.05 0.00 -0.96 0.00 0.00 56.93 56.55 3bws s PHE 138 Cb -0.12 -4.00 -0.05 0.00 -0.34 0.00 0.00 43.02 38.52 3bws s PHE 138 CO 0.01 -3.68 -0.14 -0.89 -1.46 0.00 0.00 175.22 169.07 3bws n ILE 139 N 3.86 0.60 -3.71 3.12 2.08 0.14 -4.89 119.36 120.56 3bws n ILE 139 Ca 0.14 -0.14 -0.14 0.00 0.56 0.00 0.00 62.75 63.17 3bws n ILE 139 Cb 0.37 -1.65 -0.08 0.00 -0.75 0.00 0.00 39.64 37.54 3bws n ILE 139 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 3bws s SER 140 N -5.96 -0.27 -0.15 4.38 0.01 -1.10 -5.00 113.70 105.61 3bws s SER 140 Ca -0.15 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.26 3bws s SER 140 Cb 0.06 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 3bws s SER 140 CO 0.19 -0.51 -0.11 -0.60 0.41 0.00 0.00 173.24 172.62 3bws s ARG 141 N -1.52 3.38 -0.11 12.44 3.00 -1.26 -0.27 118.95 134.60 3bws s ARG 141 Ca -0.12 -0.67 0.03 0.00 -1.00 0.00 0.00 55.73 53.98 3bws s ARG 141 Cb -0.04 -2.73 0.00 0.00 0.00 0.00 0.00 34.95 32.19 3bws s ARG 141 CO 0.04 0.10 -0.23 -0.06 0.00 0.00 0.00 175.30 175.15 3bws s PHE 142 N 0.66 2.60 0.43 5.12 0.08 -0.92 -4.86 117.98 121.08 3bws s PHE 142 Ca -0.06 -1.12 -0.24 0.00 0.12 0.00 0.00 56.93 55.64 3bws s PHE 142 Cb -0.15 -1.74 -0.08 0.00 -0.57 0.00 0.00 43.02 40.47 3bws s PHE 142 CO 0.02 -0.47 1.13 0.15 -0.10 0.00 0.00 175.22 175.96 3bws s LYS 143 N 0.48 3.96 0.13 0.44 1.02 -1.26 -0.71 119.74 123.79 3bws s LYS 143 Ca -0.15 1.70 0.01 0.00 0.02 0.00 0.00 55.97 57.55 3bws s LYS 143 Cb -0.17 -2.51 -0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3bws s LYS 143 CO 0.06 -0.37 0.02 0.25 -0.92 0.00 0.00 175.35 174.39 3bws n THR 144 N -0.23 0.00 -1.27 2.17 -2.24 0.02 -4.88 114.28 107.86 3bws n THR 144 Ca 0.06 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 3bws n THR 144 Cb 0.48 0.19 0.22 0.00 -2.10 0.00 0.00 70.33 69.12 3bws n THR 144 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3bws s GLY 145 N -1.75 1.62 0.11 3.38 0.00 -1.26 -4.73 107.32 104.68 3bws s GLY 145 Ca 0.03 -0.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.50 3bws s GLY 145 CO 0.02 -0.11 1.42 -1.36 0.00 0.00 0.00 173.10 173.07 3bws s PHE 146 N -3.18 3.16 -0.90 1.90 0.08 -1.26 -4.01 117.98 113.76 3bws s PHE 146 Ca 0.71 0.88 -0.04 0.00 0.12 0.00 0.00 56.93 58.60 3bws s PHE 146 Cb -0.09 -3.72 -0.05 0.00 -0.57 0.00 0.00 43.02 38.59 3bws s PHE 146 CO 0.55 -2.55 0.80 1.04 -0.10 0.00 0.00 175.22 174.96 3bws n GLN 147 N 4.15 -1.88 -1.85 0.44 6.02 -1.25 -2.35 117.38 120.65 3bws n GLN 147 Ca 0.12 0.92 -0.38 0.00 -0.01 0.00 0.00 57.00 57.65 3bws n GLN 147 Cb 0.42 -5.45 -0.03 0.00 1.02 0.00 0.00 30.24 26.20 3bws n GLN 147 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3bws s PRO 148 N -4.01 2.46 0.22 -1.09 0.04 -1.26 -0.35 135.00 131.02 3bws s PRO 148 Ca 0.33 0.96 0.11 0.00 0.04 0.00 0.00 61.00 62.44 3bws s PRO 148 Cb -0.04 -4.45 0.12 0.00 0.04 0.00 0.00 34.50 30.16 3bws s PRO 148 CO 0.68 -2.89 1.47 -0.22 0.04 0.00 0.00 177.00 176.07 3bws h LYS 149 N 16.60 0.00 -3.58 4.56 1.63 -1.51 -3.40 116.57 130.87 3bws h LYS 149 Ca -0.26 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.48 3bws h LYS 149 Cb 1.20 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.72 3bws h LYS 149 CO 1.19 0.73 -0.15 -1.54 -3.45 0.00 0.00 179.45 176.23 3bws s SER 150 N -6.69 -0.11 0.01 4.20 1.04 -1.25 -3.59 113.70 107.32 3bws s SER 150 Ca 0.01 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.84 3bws s SER 150 Cb 0.11 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 3bws s SER 150 CO 0.77 -0.94 -0.07 0.68 0.98 0.00 0.00 173.24 174.67 3bws s VAL 151 N -3.90 0.56 -0.07 5.02 -7.23 -1.26 -3.70 120.40 109.81 3bws s VAL 151 Ca 0.11 -0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 59.71 3bws s VAL 151 Cb 0.02 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.48 3bws s VAL 151 CO -0.04 -0.01 0.15 -0.60 -0.31 0.00 0.00 175.10 174.29 3bws s ARG 152 N -0.61 0.05 0.02 4.82 3.52 -0.51 -4.29 118.95 121.96 3bws s ARG 152 Ca -0.01 0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 55.76 3bws s ARG 152 Cb -0.05 -0.24 -0.07 0.00 -1.56 0.00 0.00 34.95 33.04 3bws s ARG 152 CO 0.00 -0.25 1.55 -0.06 -0.81 0.00 0.00 175.30 175.74 3bws s PHE 153 N 1.79 2.53 -0.70 5.12 0.08 -1.26 -0.37 117.98 125.18 3bws s PHE 153 Ca -0.02 0.50 0.20 0.00 0.12 0.00 0.00 56.93 57.73 3bws s PHE 153 Cb -0.12 -3.84 -0.25 0.00 -0.57 0.00 0.00 43.02 38.24 3bws s PHE 153 CO -0.06 -3.30 0.75 0.44 -0.10 0.00 0.00 175.22 172.95 3bws n ILE 154 N 4.81 0.00 -1.92 0.64 -5.35 0.17 -4.94 119.36 112.77 3bws n ILE 154 Ca 0.15 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3bws n ILE 154 Cb 0.42 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 3bws n ILE 154 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3bws n ASP 155 N -1.68 0.00 0.23 7.28 5.68 -1.23 -5.00 116.55 121.83 3bws n ASP 155 Ca 0.02 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.38 3bws n ASP 155 Cb 0.38 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 40.91 3bws n ASP 155 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3bws h ASN 156 N 0.00 0.00 0.00 -1.12 2.35 -1.98 -3.36 115.58 111.46 3bws h ASN 156 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bws h ASN 156 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3bws h ASN 156 CO 0.00 0.17 0.00 0.35 -1.65 0.00 0.00 177.43 176.30 3bws n THR 157 N -4.17 0.00 -4.55 2.81 -2.24 -1.26 -4.75 114.28 100.12 3bws n THR 157 Ca -0.02 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.39 3bws n THR 157 Cb 0.25 1.94 -0.11 0.00 -2.10 0.00 0.00 70.33 70.31 3bws n THR 157 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3bws s ARG 158 N -0.00 2.84 0.00 -0.78 0.52 -1.26 -0.44 118.95 119.83 3bws s ARG 158 Ca 0.00 -0.51 0.08 0.00 -0.52 0.00 0.00 55.73 54.78 3bws s ARG 158 Cb 0.00 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 3bws s ARG 158 CO 0.00 0.66 -0.25 -0.51 0.02 0.00 0.00 175.30 175.22 3bws s LEU 159 N -0.79 2.09 -0.20 2.53 1.43 0.03 -0.66 118.68 123.11 3bws s LEU 159 Ca 0.12 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3bws s LEU 159 Cb -0.11 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3bws s LEU 159 CO 0.02 0.28 0.07 0.00 0.23 0.00 0.00 176.35 176.94 3bws s ALA 160 N -0.65 3.32 -0.40 4.21 0.00 0.51 -1.59 121.76 127.16 3bws s ALA 160 Ca 0.10 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3bws s ALA 160 Cb -0.09 -1.98 0.13 0.00 0.00 0.00 0.00 23.12 21.18 3bws s ALA 160 CO 0.00 -0.05 0.22 0.42 0.00 0.00 0.00 175.76 176.35 3bws s ILE 161 N 0.80 0.90 0.33 0.00 1.01 0.32 -1.43 121.20 123.13 3bws s ILE 161 Ca 0.04 -2.14 -0.29 0.00 0.00 0.00 0.00 60.65 58.25 3bws s ILE 161 Cb -0.14 -1.64 -0.11 0.00 0.01 0.00 0.00 42.46 40.58 3bws s ILE 161 CO 0.02 -0.91 1.51 -2.84 0.00 0.00 0.00 174.94 172.73 3bws s PRO 162 N 0.73 4.15 -0.25 2.79 0.02 -1.24 -1.26 135.00 139.93 3bws s PRO 162 Ca 0.17 2.53 -0.04 0.00 0.02 0.00 0.00 61.00 63.67 3bws s PRO 162 Cb -0.23 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3bws s PRO 162 CO -0.02 -0.54 -0.00 -0.51 -0.33 0.00 0.00 177.00 175.60 3bws s LEU 163 N -1.28 3.29 0.49 -5.54 1.43 -0.81 -1.42 118.68 114.83 3bws s LEU 163 Ca 0.57 -0.60 0.27 0.00 -1.03 0.00 0.00 54.13 53.34 3bws s LEU 163 Cb -0.46 -1.77 1.14 0.00 0.03 0.00 0.00 46.19 45.13 3bws s LEU 163 CO 0.55 -0.10 1.91 0.25 0.23 0.00 0.00 176.35 179.19 3bws h LEU 164 N 8.13 0.00 -3.28 1.79 5.85 -0.55 -2.57 115.31 124.68 3bws h LEU 164 Ca -0.36 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.22 3bws h LEU 164 Cb 1.14 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.99 3bws h LEU 164 CO 0.59 0.15 -0.70 1.21 -0.34 0.00 0.00 178.44 179.35 3bws n GLU 165 N -3.34 1.60 -4.06 1.25 4.07 -0.99 -0.19 120.64 118.99 3bws n GLU 165 Ca -0.00 -3.19 -0.11 0.00 -0.06 0.00 0.00 57.16 53.80 3bws n GLU 165 Cb 0.36 -1.39 -0.06 0.00 -0.06 0.00 0.00 31.44 30.30 3bws n GLU 165 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3bws s ASP 166 N -3.08 0.26 -0.10 4.31 -1.08 -1.19 -4.56 116.67 111.24 3bws s ASP 166 Ca 0.39 -1.18 0.03 0.00 -0.52 0.00 0.00 52.55 51.26 3bws s ASP 166 Cb 0.38 0.58 0.22 0.00 -1.46 0.00 0.00 42.92 42.64 3bws s ASP 166 CO -0.07 -1.15 1.06 -0.62 0.52 0.00 0.00 175.17 174.91 3bws n GLU 167 N -0.42 1.79 0.00 4.34 1.02 -1.26 -4.16 120.64 121.94 3bws n GLU 167 Ca -0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 3bws n GLU 167 Cb 0.62 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3bws n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bws n GLY 168 N 0.10 -1.28 3.00 0.62 0.00 -1.26 -4.55 105.19 101.83 3bws n GLY 168 Ca 0.13 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 3bws n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bws s ASP 170 N -4.00 1.09 -0.26 1.61 1.01 -0.39 -1.93 116.67 113.80 3bws s ASP 170 Ca 0.00 -0.17 -0.02 0.00 0.71 0.00 0.00 52.55 53.07 3bws s ASP 170 Cb 0.00 -0.21 0.03 0.00 1.01 0.00 0.00 42.92 43.75 3bws s ASP 170 CO 0.00 0.08 -0.04 -0.69 0.21 0.00 0.00 175.17 174.73 3bws s VAL 171 N 0.01 2.97 -0.08 -1.27 1.01 0.10 -0.52 120.40 122.62 3bws s VAL 171 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.95 3bws s VAL 171 Cb -0.06 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3bws s VAL 171 CO -0.00 0.14 -0.16 -0.22 0.00 0.00 0.00 175.10 174.86 3bws s LEU 172 N 1.32 1.79 -0.30 3.92 0.20 -0.62 -0.93 118.68 124.06 3bws s LEU 172 Ca -0.01 -0.39 -0.18 0.00 0.69 0.00 0.00 54.13 54.24 3bws s LEU 172 Cb -0.17 -1.02 -0.02 0.00 -0.43 0.00 0.00 46.19 44.55 3bws s LEU 172 CO -0.03 0.07 0.53 -0.62 -0.29 0.00 0.00 176.35 176.00 3bws s ASP 173 N 0.58 6.39 0.09 3.68 -1.08 0.34 -0.79 116.67 125.88 3bws s ASP 173 Ca -0.16 0.30 0.22 0.00 -0.52 0.00 0.00 52.55 52.39 3bws s ASP 173 Cb -0.16 -2.28 0.89 0.00 -1.46 0.00 0.00 42.92 39.91 3bws s ASP 173 CO 0.05 -0.38 1.69 2.30 0.52 0.00 0.00 175.17 179.35 3bws n ILE 174 N 5.30 0.63 -0.21 4.11 -5.35 0.41 -0.12 119.36 124.13 3bws n ILE 174 Ca -0.04 0.09 -0.07 0.00 -0.27 0.00 0.00 62.75 62.46 3bws n ILE 174 Cb 0.49 -0.84 0.03 0.00 -1.74 0.00 0.00 39.64 37.59 3bws n ILE 174 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3bws h ASN 175 N 0.00 0.79 0.00 7.28 2.35 -1.93 -3.39 115.58 120.68 3bws h ASN 175 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3bws h ASN 175 Cb 0.42 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3bws h ASN 175 CO 0.00 0.70 -0.45 -1.54 -1.65 0.00 0.00 177.43 174.49 3bws n SER 176 N -4.52 2.27 0.00 5.81 3.41 -1.09 -5.00 113.62 114.50 3bws n SER 176 Ca 0.04 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3bws n SER 176 Cb 0.12 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3bws n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bws n GLY 177 N 1.47 0.88 3.73 5.00 0.00 0.83 -5.01 105.19 112.09 3bws n GLY 177 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3bws n GLY 177 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3bws n GLN 178 N -2.23 2.76 -4.07 1.61 7.27 -1.21 -4.70 117.38 116.81 3bws n GLN 178 Ca 0.00 0.99 -0.14 0.00 0.07 0.00 0.00 57.00 57.92 3bws n GLN 178 Cb 0.00 -2.82 -0.13 0.00 2.41 0.00 0.00 30.24 29.70 3bws n GLN 178 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 3bws s THR 179 N 0.79 0.35 0.00 1.69 -1.32 -1.26 -0.50 115.64 115.39 3bws s THR 179 Ca 0.72 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 60.74 3bws s THR 179 Cb -0.50 -0.35 -0.01 0.00 -1.51 0.00 0.00 72.50 70.12 3bws s THR 179 CO 0.37 -0.10 -0.08 0.54 -2.21 0.00 0.00 174.62 173.14 3bws s VAL 180 N -0.58 0.66 -0.21 5.08 0.11 -0.11 -4.97 120.40 120.38 3bws s VAL 180 Ca -0.03 -0.44 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 3bws s VAL 180 Cb -0.05 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3bws s VAL 180 CO -0.00 0.12 0.32 -0.60 -3.33 0.00 0.00 175.10 171.61 3bws s ARG 181 N -0.36 4.14 -0.14 1.54 3.52 -1.26 0.02 118.95 126.41 3bws s ARG 181 Ca 0.02 0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.54 3bws s ARG 181 Cb -0.04 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 3bws s ARG 181 CO -0.00 0.00 0.25 -0.51 -0.81 0.00 0.00 175.30 174.24 3bws s LEU 182 N 1.20 4.30 0.01 -0.88 1.02 -1.26 -4.99 118.68 118.06 3bws s LEU 182 Ca 0.15 0.52 0.01 0.00 0.02 0.00 0.00 54.13 54.83 3bws s LEU 182 Cb -0.14 -2.30 -0.01 0.00 0.02 0.00 0.00 46.19 43.76 3bws s LEU 182 CO 0.07 0.20 -0.03 -0.44 0.02 0.00 0.00 176.35 176.16 3bws s SER 183 N -0.04 0.36 1.13 2.29 0.01 -1.26 -4.33 113.70 111.86 3bws s SER 183 Ca 0.16 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 3bws s SER 183 Cb -0.13 -0.01 0.26 0.00 0.21 0.00 0.00 66.02 66.35 3bws s SER 183 CO 0.04 -0.03 1.19 -2.16 0.41 0.00 0.00 173.24 172.69 3bws s PRO 184 N -0.38 -0.67 0.87 12.44 0.04 -1.26 -4.79 135.00 141.24 3bws s PRO 184 Ca -0.02 -0.22 -0.14 0.00 0.04 0.00 0.00 61.00 60.66 3bws s PRO 184 Cb -0.03 -1.68 0.03 0.00 0.04 0.00 0.00 34.50 32.86 3bws s PRO 184 CO -0.00 -3.32 0.58 -2.30 0.04 0.00 0.00 177.00 172.01 3bws n PRO 185 N -4.45 -0.07 -0.26 0.56 -0.02 -1.26 -4.36 135.00 125.14 3bws n PRO 185 Ca 0.14 0.03 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 3bws n PRO 185 Cb 0.60 -1.95 0.18 0.00 -0.02 0.00 0.00 33.50 32.30 3bws n PRO 185 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bws h GLU 186 N -1.16 0.12 -0.03 -0.52 4.57 -1.99 0.45 114.58 116.03 3bws h GLU 186 Ca -0.44 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 3bws h GLU 186 Cb 1.30 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3bws h GLU 186 CO 0.38 0.08 0.02 1.57 -1.18 0.00 0.00 179.01 179.89 3bws h LYS 187 N 0.13 0.00 0.00 1.92 2.10 -2.02 -3.01 116.57 115.68 3bws h LYS 187 Ca 0.43 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.97 3bws h LYS 187 Cb 0.78 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 3bws h LYS 187 CO -0.65 0.00 -0.83 1.88 -2.00 0.00 0.00 179.45 177.85 3bws h TYR 188 N 0.00 0.00 -0.75 0.07 0.05 -1.31 -3.42 116.97 111.60 3bws h TYR 188 Ca 0.01 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.93 3bws h TYR 188 Cb 0.06 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.75 3bws h TYR 188 CO 0.00 0.77 0.50 1.57 -1.05 0.00 0.00 178.16 179.95 3bws h LYS 189 N -1.00 0.44 0.00 4.88 2.10 -1.08 -2.05 116.57 119.86 3bws h LYS 189 Ca -0.17 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 3bws h LYS 189 Cb 0.89 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 3bws h LYS 189 CO -0.10 0.29 0.00 1.57 -2.00 0.00 0.00 179.45 179.21 3bws h LYS 190 N 0.45 0.00 0.00 0.07 2.10 -1.78 -2.34 116.57 115.07 3bws h LYS 190 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3bws h LYS 190 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 3bws h LYS 190 CO -0.12 0.00 -0.32 1.63 -2.00 0.00 0.00 179.45 178.64 3bws n LYS 191 N -2.84 0.06 0.00 0.07 5.02 -0.77 -5.03 118.16 114.66 3bws n LYS 191 Ca -0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3bws n LYS 191 Cb 0.17 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3bws n LYS 191 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bws n LEU 192 N -1.64 0.00 -2.51 -0.35 4.77 -0.88 -4.78 117.00 111.61 3bws n LEU 192 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 3bws n LEU 192 Cb 0.36 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3bws n LEU 192 CO 0.32 -0.22 0.10 0.61 -1.33 0.00 0.00 177.39 176.87 3bws n GLY 193 N 0.00 -0.04 3.75 -0.72 0.00 0.74 -4.46 105.19 104.46 3bws n GLY 193 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3bws n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bws s PHE 194 N -3.22 3.70 0.01 1.61 0.08 -0.98 -3.94 117.98 115.25 3bws s PHE 194 Ca 0.12 1.33 -0.01 0.00 0.12 0.00 0.00 56.93 58.49 3bws s PHE 194 Cb -0.05 -2.72 -0.00 0.00 -0.57 0.00 0.00 43.02 39.67 3bws s PHE 194 CO 0.46 0.30 -0.02 0.28 -0.10 0.00 0.00 175.22 176.14 3bws n VAL 195 N 2.84 0.37 -4.28 -0.44 0.31 -0.54 -2.89 118.33 113.70 3bws n VAL 195 Ca -0.04 0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.30 3bws n VAL 195 Cb 0.51 -1.27 -0.10 0.00 -0.91 0.00 0.00 33.84 32.06 3bws n VAL 195 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3bws s GLU 196 N -1.33 1.25 0.16 5.55 0.41 -1.26 -3.80 118.70 119.68 3bws s GLU 196 Ca -0.01 -1.63 0.03 0.00 -0.41 0.00 0.00 54.97 52.95 3bws s GLU 196 Cb 0.00 -0.31 -0.05 0.00 -1.78 0.00 0.00 34.13 32.00 3bws s GLU 196 CO 0.02 -0.19 -0.06 0.95 -0.49 0.00 0.00 175.26 175.49 3bws s THR 197 N -3.67 1.00 0.05 3.63 -4.23 -1.26 -1.50 115.64 109.67 3bws s THR 197 Ca 0.30 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3bws s THR 197 Cb 0.07 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 3bws s THR 197 CO 0.08 -0.63 -0.11 0.27 -0.54 0.00 0.00 174.62 173.69 3bws s ILE 198 N -3.44 0.81 -0.12 2.99 -4.36 -0.83 -4.69 121.20 111.56 3bws s ILE 198 Ca 0.20 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.43 3bws s ILE 198 Cb 0.04 -0.82 -0.02 0.00 1.25 0.00 0.00 42.46 42.91 3bws s ILE 198 CO 0.02 -0.29 -0.12 -0.55 0.24 0.00 0.00 174.94 174.24 3bws s SER 199 N -1.60 4.11 -0.60 4.36 0.15 -1.26 -0.84 113.70 118.01 3bws s SER 199 Ca -0.06 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.35 3bws s SER 199 Cb -0.10 -1.52 0.15 0.00 -1.71 0.00 0.00 66.02 62.85 3bws s SER 199 CO 0.01 0.19 0.38 -0.63 1.20 0.00 0.00 173.24 174.40 3bws s ILE 200 N 0.18 2.49 0.23 6.45 1.01 0.46 -4.96 121.20 127.06 3bws s ILE 200 Ca -0.07 -3.69 -0.06 0.00 0.00 0.00 0.00 60.65 56.83 3bws s ILE 200 Cb -0.15 -2.68 0.15 0.00 0.01 0.00 0.00 42.46 39.79 3bws s ILE 200 CO 0.05 -0.94 1.78 -0.65 0.00 0.00 0.00 174.94 175.18 3bws h PRO 201 N 5.91 1.07 -0.16 2.79 0.11 -1.96 -0.90 132.00 138.86 3bws h PRO 201 Ca 0.06 -0.22 0.05 0.00 0.11 0.00 0.00 66.00 66.00 3bws h PRO 201 Cb 0.83 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3bws h PRO 201 CO 0.66 0.91 0.15 1.05 -0.21 0.00 0.00 178.00 180.56 3bws h GLU 202 N 1.03 0.00 -0.19 1.05 9.09 -1.95 -2.08 114.58 121.54 3bws h GLU 202 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 3bws h GLU 202 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3bws h GLU 202 CO -0.01 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.77 3bws n HIS 203 N -4.06 0.25 -3.75 2.06 8.25 -0.94 -5.00 115.22 112.04 3bws n HIS 203 Ca 0.01 -0.49 -0.25 0.00 -0.26 0.00 0.00 57.72 56.73 3bws n HIS 203 Cb 0.27 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.39 3bws n HIS 203 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bws n ASN 204 N 0.07 -3.77 -4.20 0.41 5.15 -0.45 -4.95 115.26 107.52 3bws n ASN 204 Ca 0.06 -0.73 -0.22 0.00 -0.60 0.00 0.00 54.58 53.10 3bws n ASN 204 Cb 0.34 -4.28 -0.13 0.00 -0.53 0.00 0.00 39.78 35.19 3bws n ASN 204 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3bws s GLU 205 N -6.25 1.06 -0.19 1.20 2.02 -0.58 -1.58 118.70 114.39 3bws s GLU 205 Ca 0.39 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.50 3bws s GLU 205 Cb -0.19 -1.14 0.04 0.00 0.10 0.00 0.00 34.13 32.94 3bws s GLU 205 CO 0.80 0.28 -0.12 -1.17 0.02 0.00 0.00 175.26 175.06 3bws s LEU 206 N -1.34 2.15 -0.05 1.80 2.96 0.30 -0.41 118.68 124.10 3bws s LEU 206 Ca 0.03 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 53.13 3bws s LEU 206 Cb -0.09 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3bws s LEU 206 CO 0.02 -0.11 0.13 0.26 -1.32 0.00 0.00 176.35 175.33 3bws s TRP 207 N 1.40 3.46 -0.07 5.38 0.52 -0.02 -0.53 118.94 129.09 3bws s TRP 207 Ca 0.01 0.36 -0.03 0.00 0.02 0.00 0.00 56.10 56.46 3bws s TRP 207 Cb -0.15 -1.84 0.04 0.00 -1.15 0.00 0.00 33.47 30.37 3bws s TRP 207 CO -0.09 0.64 0.14 0.54 0.02 0.00 0.00 176.95 178.20 3bws s VAL 208 N -1.16 -0.06 0.30 4.03 0.11 -0.15 -1.97 120.40 121.49 3bws s VAL 208 Ca 0.21 0.20 -0.21 0.00 -2.93 0.00 0.00 61.98 59.25 3bws s VAL 208 Cb -0.12 -0.24 -0.09 0.00 -1.53 0.00 0.00 36.38 34.40 3bws s VAL 208 CO 0.11 0.08 0.82 -0.94 -3.33 0.00 0.00 175.10 171.84 3bws s SER 209 N 1.25 7.05 0.31 3.54 1.04 -0.56 -0.50 113.70 125.83 3bws s SER 209 Ca -0.08 1.54 0.05 0.00 0.48 0.00 0.00 55.95 57.93 3bws s SER 209 Cb -0.12 -2.47 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 3bws s SER 209 CO -0.06 -0.11 0.02 -1.58 0.98 0.00 0.00 173.24 172.50 3bws s GLN 210 N -2.40 1.61 0.00 4.02 0.74 0.92 -1.47 119.66 123.08 3bws s GLN 210 Ca 0.50 -1.87 0.00 0.00 0.05 0.00 0.00 55.36 54.05 3bws s GLN 210 Cb -0.15 -0.94 0.00 0.00 1.10 0.00 0.00 33.01 33.02 3bws s GLN 210 CO 0.20 -0.12 0.00 1.04 -0.55 0.00 0.00 175.29 175.86 3bws n GLN 212 N -0.65 0.00 -0.00 1.67 1.13 -1.25 -1.81 117.38 116.47 3bws n GLN 212 Ca -0.03 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.04 3bws n GLN 212 Cb 0.66 0.00 0.01 0.00 0.11 0.00 0.00 30.24 31.02 3bws n GLN 212 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bws n ALA 213 N 0.00 2.44 -4.03 -1.58 0.00 -1.26 -5.01 120.51 111.07 3bws n ALA 213 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 3bws n ALA 213 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 3bws n ALA 213 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bws n ASN 214 N 0.07 -0.92 -3.97 0.00 5.03 -0.75 -4.86 115.26 109.86 3bws n ASN 214 Ca 0.01 -1.11 -0.09 0.00 0.87 0.00 0.00 54.58 54.27 3bws n ASN 214 Cb 0.08 -2.59 -0.10 0.00 -1.02 0.00 0.00 39.78 36.15 3bws n ASN 214 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bws s ALA 215 N -3.97 0.09 -0.13 5.41 0.00 -0.99 -1.41 121.76 120.76 3bws s ALA 215 Ca 0.10 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3bws s ALA 215 Cb -0.05 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3bws s ALA 215 CO 0.92 -0.22 -0.21 0.08 0.00 0.00 0.00 175.76 176.33 3bws s VAL 216 N -1.96 1.94 0.00 0.00 1.01 -0.11 -0.06 120.40 121.22 3bws s VAL 216 Ca -0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 3bws s VAL 216 Cb -0.06 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3bws s VAL 216 CO -0.02 0.53 0.13 -1.00 0.00 0.00 0.00 175.10 174.73 3bws s HIS 217 N 0.79 3.40 -0.07 5.22 3.76 0.35 0.35 115.29 129.09 3bws s HIS 217 Ca -0.08 0.27 0.05 0.00 -0.15 0.00 0.00 55.06 55.15 3bws s HIS 217 Cb -0.16 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 3bws s HIS 217 CO -0.01 0.59 -0.24 0.08 -0.85 0.00 0.00 174.74 174.31 3bws s VAL 218 N -1.27 2.01 0.15 -0.90 1.01 0.18 -0.98 120.40 120.60 3bws s VAL 218 Ca 0.25 -1.03 0.11 0.00 0.00 0.00 0.00 61.98 61.31 3bws s VAL 218 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3bws s VAL 218 CO 0.17 0.56 -0.25 -0.36 0.00 0.00 0.00 175.10 175.22 3bws s PHE 219 N -0.02 2.34 0.06 5.22 0.08 0.31 -0.23 117.98 125.73 3bws s PHE 219 Ca -0.07 -0.36 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 3bws s PHE 219 Cb -0.15 -1.23 -0.07 0.00 -0.57 0.00 0.00 43.02 41.01 3bws s PHE 219 CO 0.05 0.40 1.38 0.34 -0.10 0.00 0.00 175.22 177.29 3bws s ASP 220 N -2.28 6.86 0.30 1.36 -1.08 0.04 -0.54 116.67 121.33 3bws s ASP 220 Ca 0.17 2.20 0.12 0.00 -0.52 0.00 0.00 52.55 54.53 3bws s ASP 220 Cb -0.09 -2.57 0.44 0.00 -1.46 0.00 0.00 42.92 39.23 3bws s ASP 220 CO 0.08 -0.66 1.64 0.25 0.52 0.00 0.00 175.17 177.00 3bws h LEU 221 N 7.48 0.00 0.00 -1.34 5.85 -1.58 -0.38 115.31 125.34 3bws h LEU 221 Ca -0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3bws h LEU 221 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3bws h LEU 221 CO 0.88 0.56 -0.10 0.11 -0.34 0.00 0.00 178.44 179.54 3bws h LYS 222 N 0.00 0.00 0.00 1.25 1.57 -1.92 -3.39 116.57 114.08 3bws h LYS 222 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3bws h LYS 222 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3bws h LYS 222 CO 0.07 0.24 -0.13 1.79 -0.57 0.00 0.00 179.45 180.85 3bws h THR 223 N -1.00 0.00 -0.15 -0.16 1.35 -1.96 -3.47 112.91 107.52 3bws h THR 223 Ca -0.01 -0.67 -0.07 0.00 -0.55 0.00 0.00 66.41 65.11 3bws h THR 223 Cb 0.30 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 3bws h THR 223 CO -0.01 0.00 -0.06 0.18 -0.25 0.00 0.00 175.52 175.38 3bws n LEU 224 N -2.53 0.30 -4.78 3.87 4.77 -0.15 -4.98 117.00 113.50 3bws n LEU 224 Ca 0.04 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 3bws n LEU 224 Cb 0.47 -1.93 -0.05 0.00 -2.33 0.00 0.00 43.42 39.58 3bws n LEU 224 CO 0.33 -0.70 0.71 0.00 -1.33 0.00 0.00 177.39 176.40 3bws s ALA 225 N -1.58 3.14 0.19 -1.18 0.00 -1.25 -4.73 121.76 116.35 3bws s ALA 225 Ca 0.00 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 3bws s ALA 225 Cb 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 3bws s ALA 225 CO 0.00 -0.08 1.53 -0.47 0.00 0.00 0.00 175.76 176.74 3bws s TYR 226 N -1.64 3.04 -0.10 0.00 5.04 -1.26 -0.78 117.35 121.65 3bws s TYR 226 Ca 0.55 0.75 -0.06 0.00 -2.44 0.00 0.00 57.07 55.87 3bws s TYR 226 Cb -0.21 -3.90 -0.05 0.00 0.35 0.00 0.00 41.96 38.15 3bws s TYR 226 CO 0.27 -3.20 -0.14 1.17 -1.34 0.00 0.00 175.55 172.30 3bws n LYS 227 N 3.43 0.23 -3.61 4.97 4.81 0.68 -4.87 118.16 123.81 3bws n LYS 227 Ca 0.12 0.10 -0.06 0.00 -0.87 0.00 0.00 58.31 57.60 3bws n LYS 227 Cb 0.39 -0.89 -0.02 0.00 0.02 0.00 0.00 35.03 34.53 3bws n LYS 227 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bws s ALA 228 N -2.22 -1.80 -0.05 3.14 0.00 -0.95 -4.99 121.76 114.90 3bws s ALA 228 Ca -0.15 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.54 3bws s ALA 228 Cb 0.06 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3bws s ALA 228 CO 0.19 -0.83 -0.14 0.99 0.00 0.00 0.00 175.76 175.97 3bws s THR 229 N -3.11 1.23 -0.36 0.00 2.01 -1.26 0.47 115.64 114.62 3bws s THR 229 Ca 0.08 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 3bws s THR 229 Cb -0.01 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.42 3bws s THR 229 CO -0.04 0.37 0.24 -0.69 -0.69 0.00 0.00 174.62 173.80 3bws s VAL 230 N 0.25 5.03 -0.26 3.82 1.01 0.15 -4.95 120.40 125.45 3bws s VAL 230 Ca -0.07 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 3bws s VAL 230 Cb -0.12 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3bws s VAL 230 CO 0.02 -0.13 0.92 -1.81 0.00 0.00 0.00 175.10 174.11 3bws s ASP 231 N 1.66 6.90 0.47 3.32 1.01 -1.26 -0.94 116.67 127.83 3bws s ASP 231 Ca 0.05 1.08 -0.01 0.00 0.71 0.00 0.00 52.55 54.37 3bws s ASP 231 Cb -0.18 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 3bws s ASP 231 CO 0.09 -0.63 0.71 -0.76 0.21 0.00 0.00 175.17 174.79 3bws s LEU 232 N 3.09 3.60 0.00 1.23 1.43 -0.50 -4.59 118.68 122.93 3bws s LEU 232 Ca 0.39 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.03 3bws s LEU 232 Cb -0.15 -3.31 0.09 0.00 0.03 0.00 0.00 46.19 42.85 3bws s LEU 232 CO 0.09 -0.73 0.84 0.35 0.23 0.00 0.00 176.35 177.13 3bws n THR 233 N -2.17 0.02 -1.72 5.49 -2.24 -1.26 -4.89 114.28 107.51 3bws n THR 233 Ca 0.01 -0.51 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 3bws n THR 233 Cb 0.57 1.21 0.03 0.00 -2.10 0.00 0.00 70.33 70.04 3bws n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bws n GLY 234 N 0.59 -0.25 2.94 3.38 0.00 -1.26 -5.10 105.19 105.49 3bws n GLY 234 Ca 0.06 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 3bws n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bws s LYS 235 N -3.18 1.13 -0.68 1.61 -0.14 -1.26 -4.88 119.74 112.35 3bws s LYS 235 Ca 0.12 -0.22 -0.02 0.00 -1.36 0.00 0.00 55.97 54.49 3bws s LYS 235 Cb -0.00 -1.03 -0.03 0.00 -1.68 0.00 0.00 37.83 35.09 3bws s LYS 235 CO 0.08 -0.04 0.61 0.91 -0.76 0.00 0.00 175.35 176.15 3bws n TRP 236 N 3.94 -2.00 -2.20 3.18 7.02 -1.26 -1.47 117.44 124.65 3bws n TRP 236 Ca -0.24 0.73 -0.41 0.00 -1.02 0.00 0.00 57.50 56.56 3bws n TRP 236 Cb 0.51 -3.59 -0.03 0.00 -2.42 0.00 0.00 31.31 25.79 3bws n TRP 236 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3bws s SER 237 N -3.04 6.89 0.00 -0.99 1.04 -1.26 -0.69 113.70 115.64 3bws s SER 237 Ca 0.19 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.18 3bws s SER 237 Cb -0.02 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3bws s SER 237 CO 0.55 -0.45 0.00 0.29 0.98 0.00 0.00 173.24 174.61 3bws n LYS 238 N 1.14 0.00 -2.28 4.02 5.02 0.68 -4.47 118.16 122.27 3bws n LYS 238 Ca 0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3bws n LYS 238 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.40 3bws n LYS 238 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bws s ILE 239 N 0.06 3.42 -0.06 -0.18 -1.09 -1.25 -4.22 121.20 117.88 3bws s ILE 239 Ca 0.00 1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 59.55 3bws s ILE 239 Cb 0.00 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3bws s ILE 239 CO 0.00 0.15 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.10 3bws s LEU 240 N 0.13 3.51 -0.02 2.97 1.43 -1.26 -1.23 118.68 124.22 3bws s LEU 240 Ca 0.57 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 3bws s LEU 240 Cb -0.35 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.03 3bws s LEU 240 CO 0.36 0.35 -0.06 -0.22 0.23 0.00 0.00 176.35 177.01 3bws s LEU 241 N -1.04 1.68 -0.16 1.79 2.96 0.09 -4.81 118.68 119.19 3bws s LEU 241 Ca 0.15 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.86 3bws s LEU 241 Cb -0.11 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 3bws s LEU 241 CO 0.04 0.02 0.09 -0.47 -1.32 0.00 0.00 176.35 174.71 3bws s TYR 242 N 0.35 3.36 -0.43 5.38 5.04 -1.26 -0.29 117.35 129.50 3bws s TYR 242 Ca -0.04 0.26 -0.05 0.00 -2.44 0.00 0.00 57.07 54.80 3bws s TYR 242 Cb -0.08 -2.02 0.11 0.00 0.35 0.00 0.00 41.96 40.32 3bws s TYR 242 CO -0.00 0.37 0.25 0.34 -1.34 0.00 0.00 175.55 175.18 3bws s ASP 243 N -0.15 5.41 0.17 4.32 -1.08 0.19 -4.97 116.67 120.55 3bws s ASP 243 Ca 0.08 -2.00 0.24 0.00 -0.52 0.00 0.00 52.55 50.36 3bws s ASP 243 Cb -0.12 -1.89 0.91 0.00 -1.46 0.00 0.00 42.92 40.36 3bws s ASP 243 CO 0.01 -0.60 1.73 -0.81 0.52 0.00 0.00 175.17 176.03 3bws n PRO 244 N 4.69 0.16 -0.07 4.34 -0.04 -1.26 -0.76 135.00 142.07 3bws n PRO 244 Ca -0.04 0.27 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 3bws n PRO 244 Cb 0.41 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 3bws n PRO 244 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3bws h ILE 245 N 0.00 1.36 -0.00 0.52 2.04 -1.95 -3.35 117.51 116.12 3bws h ILE 245 Ca 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 3bws h ILE 245 Cb 0.50 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3bws h ILE 245 CO 0.00 0.51 -0.21 0.54 0.00 0.00 0.00 178.15 178.99 3bws n ARG 246 N -4.44 0.18 -3.60 2.37 1.74 -1.20 -4.94 116.66 106.77 3bws n ARG 246 Ca -0.20 -0.06 -0.20 0.00 -0.77 0.00 0.00 57.85 56.61 3bws n ARG 246 Cb 0.62 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.62 3bws n ARG 246 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bws n ASP 247 N -1.36 -1.96 -4.27 0.55 2.03 0.06 -4.94 116.55 106.67 3bws n ASP 247 Ca 0.08 -0.72 -0.23 0.00 0.52 0.00 0.00 54.79 54.44 3bws n ASP 247 Cb 0.32 -4.53 -0.12 0.00 -0.72 0.00 0.00 41.12 36.07 3bws n ASP 247 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bws s LEU 248 N -6.61 2.30 -0.14 -2.67 1.43 -0.97 -2.09 118.68 109.93 3bws s LEU 248 Ca 0.06 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3bws s LEU 248 Cb -0.03 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 3bws s LEU 248 CO 0.78 0.03 -0.14 -0.69 0.23 0.00 0.00 176.35 176.55 3bws s VAL 249 N -1.24 2.83 -0.11 -1.59 1.01 0.04 -0.64 120.40 120.70 3bws s VAL 249 Ca 0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3bws s VAL 249 Cb -0.10 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3bws s VAL 249 CO 0.04 0.52 0.10 -0.31 0.00 0.00 0.00 175.10 175.45 3bws s TYR 250 N 0.58 3.48 -0.09 5.22 2.02 0.60 -0.31 117.35 128.84 3bws s TYR 250 Ca -0.09 0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 57.04 3bws s TYR 250 Cb -0.16 -1.91 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3bws s TYR 250 CO 0.03 0.65 -0.06 0.00 -1.57 0.00 0.00 175.55 174.61 3bws s SER 252 N 1.65 6.77 -0.33 0.00 0.01 -0.36 -0.68 113.70 120.76 3bws s SER 252 Ca 0.03 1.47 -0.13 0.00 1.31 0.00 0.00 55.95 58.63 3bws s SER 252 Cb -0.13 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 3bws s SER 252 CO -0.06 -0.95 0.25 0.20 0.41 0.00 0.00 173.24 173.09 3bws s ASN 253 N 2.55 6.08 0.04 2.44 0.01 0.50 -0.23 114.94 126.32 3bws s ASN 253 Ca 0.57 -0.29 -0.31 0.00 -0.71 0.00 0.00 52.86 52.12 3bws s ASN 253 Cb -0.20 -2.15 -0.17 0.00 0.41 0.00 0.00 41.25 39.15 3bws s ASN 253 CO 0.20 -0.21 1.33 -0.25 -1.51 0.00 0.00 177.10 176.66 3bws h TRP 254 N 8.45 -1.04 -0.22 2.20 2.91 -0.74 -2.27 115.95 125.24 3bws h TRP 254 Ca -0.32 -0.02 -0.17 0.00 1.13 0.00 0.00 58.89 59.51 3bws h TRP 254 Cb 1.16 0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 30.15 3bws h TRP 254 CO 0.69 -0.65 -0.55 0.82 -1.03 0.00 0.00 178.44 177.72 3bws h ILE 255 N -1.24 1.31 -0.00 2.65 1.08 -1.46 -3.05 117.51 116.80 3bws h ILE 255 Ca -0.11 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.57 3bws h ILE 255 Cb 0.86 1.73 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 3bws h ILE 255 CO 0.19 0.56 -0.19 -1.54 -0.69 0.00 0.00 178.15 176.48 3bws n SER 256 N -3.97 0.43 -2.88 1.72 3.41 -1.17 -4.92 113.62 106.24 3bws n SER 256 Ca -0.04 -0.30 -0.20 0.00 -0.26 0.00 0.00 58.87 58.07 3bws n SER 256 Cb 0.62 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 3bws n SER 256 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bws n GLU 257 N -1.17 -5.31 -4.06 4.33 1.02 -0.86 -4.78 120.64 109.81 3bws n GLU 257 Ca 0.11 0.78 -0.14 0.00 -0.02 0.00 0.00 57.16 57.89 3bws n GLU 257 Cb 0.31 -5.47 -0.04 0.00 -0.02 0.00 0.00 31.44 26.23 3bws n GLU 257 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3bws s ASP 258 N -2.93 0.74 -0.14 1.62 1.47 -1.17 -0.73 116.67 115.52 3bws s ASP 258 Ca 0.36 -1.41 0.02 0.00 1.18 0.00 0.00 52.55 52.70 3bws s ASP 258 Cb -0.16 0.66 0.01 0.00 -0.34 0.00 0.00 42.92 43.10 3bws s ASP 258 CO 0.44 -1.30 -0.20 -0.63 0.68 0.00 0.00 175.17 174.17 3bws s ILE 259 N -3.12 1.91 0.17 2.11 1.01 -1.26 -0.37 121.20 121.65 3bws s ILE 259 Ca 0.29 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 3bws s ILE 259 Cb -0.01 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.67 3bws s ILE 259 CO 0.18 0.52 0.86 -0.44 0.00 0.00 0.00 174.94 176.06 3bws s SER 260 N 1.02 7.48 -0.21 3.58 0.01 0.14 -1.62 113.70 124.11 3bws s SER 260 Ca -0.03 1.75 -0.04 0.00 1.31 0.00 0.00 55.95 58.94 3bws s SER 260 Cb -0.15 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 3bws s SER 260 CO -0.05 0.14 -0.03 -0.69 0.41 0.00 0.00 173.24 173.01 3bws s VAL 261 N -0.90 3.52 -0.14 3.43 1.01 0.12 -1.29 120.40 126.14 3bws s VAL 261 Ca 0.39 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3bws s VAL 261 Cb -0.24 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 3bws s VAL 261 CO 0.28 0.43 -0.17 -0.63 0.00 0.00 0.00 175.10 175.02 3bws s ILE 262 N 1.29 2.61 -0.24 2.22 1.01 0.57 -0.31 121.20 128.35 3bws s ILE 262 Ca 0.04 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 3bws s ILE 262 Cb -0.14 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3bws s ILE 262 CO -0.01 0.53 1.60 -0.62 0.00 0.00 0.00 174.94 176.44 3bws s ASP 263 N 0.64 6.36 0.19 3.58 -1.08 -0.23 -0.78 116.67 125.35 3bws s ASP 263 Ca -0.09 1.54 -0.12 0.00 -0.52 0.00 0.00 52.55 53.37 3bws s ASP 263 Cb -0.16 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 38.88 3bws s ASP 263 CO 0.02 -1.29 1.83 -0.09 0.52 0.00 0.00 175.17 176.16 3bws h ARG 264 N 10.80 0.89 0.31 4.34 1.12 -1.74 0.04 114.38 130.14 3bws h ARG 264 Ca -0.33 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 58.44 3bws h ARG 264 Cb 1.15 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.93 3bws h ARG 264 CO 1.01 0.64 -0.15 -0.22 -3.11 0.00 0.00 179.97 178.14 3bws h LYS 265 N 0.89 -0.40 0.00 0.20 1.63 -1.91 -3.27 116.57 113.70 3bws h LYS 265 Ca 0.23 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3bws h LYS 265 Cb -0.02 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3bws h LYS 265 CO -0.04 -0.17 -0.25 0.25 -3.45 0.00 0.00 179.45 175.78 3bws n THR 266 N -5.21 0.03 -3.55 1.00 -2.24 -1.17 -4.95 114.28 98.20 3bws n THR 266 Ca -0.10 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 3bws n THR 266 Cb 0.23 -0.14 0.06 0.00 -2.10 0.00 0.00 70.33 68.38 3bws n THR 266 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bws n LYS 267 N -1.55 -7.11 -4.52 -0.78 4.76 -0.01 -5.00 118.16 103.95 3bws n LYS 267 Ca 0.06 0.81 -0.21 0.00 -2.87 0.00 0.00 58.31 56.10 3bws n LYS 267 Cb 0.34 -5.81 -0.15 0.00 -1.84 0.00 0.00 35.03 27.58 3bws n LYS 267 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3bws s LEU 268 N -7.20 1.99 -0.10 -0.35 1.43 -1.23 -4.41 118.68 108.80 3bws s LEU 268 Ca 0.55 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 3bws s LEU 268 Cb -0.25 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3bws s LEU 268 CO 0.68 0.14 1.45 -0.70 0.23 0.00 0.00 176.35 178.15 3bws s GLU 269 N -0.21 4.21 -0.09 1.70 2.12 -1.26 -1.06 118.70 124.10 3bws s GLU 269 Ca 0.03 1.92 0.20 0.00 0.36 0.00 0.00 54.97 57.48 3bws s GLU 269 Cb -0.05 -3.85 -0.29 0.00 0.26 0.00 0.00 34.13 30.20 3bws s GLU 269 CO -0.00 -0.76 0.33 0.44 -0.54 0.00 0.00 175.26 174.73 3bws n ILE 270 N 5.37 0.66 -3.80 -3.70 -5.35 0.57 -4.94 119.36 108.18 3bws n ILE 270 Ca 0.15 -0.66 -0.04 0.00 -0.27 0.00 0.00 62.75 61.93 3bws n ILE 270 Cb 0.44 -0.24 -0.00 0.00 -1.74 0.00 0.00 39.64 38.10 3bws n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bws s ARG 271 N -3.05 1.33 -0.09 6.28 1.70 -1.17 -5.03 118.95 118.92 3bws s ARG 271 Ca -0.08 -0.79 -0.07 0.00 -0.47 0.00 0.00 55.73 54.31 3bws s ARG 271 Cb 0.10 0.42 0.03 0.00 -0.57 0.00 0.00 34.95 34.93 3bws s ARG 271 CO 0.87 -0.62 0.23 0.21 -1.08 0.00 0.00 175.30 174.91 3bws s LYS 272 N -2.86 0.24 1.03 3.89 2.20 -1.26 0.11 119.74 123.09 3bws s LYS 272 Ca 0.16 0.39 -0.12 0.00 -0.36 0.00 0.00 55.97 56.04 3bws s LYS 272 Cb -0.02 0.04 0.21 0.00 -1.51 0.00 0.00 37.83 36.55 3bws s LYS 272 CO 0.04 -0.08 1.08 0.95 -0.36 0.00 0.00 175.35 176.98 3bws s THR 273 N 0.51 2.20 1.18 3.43 -4.23 -0.64 -4.97 115.64 113.12 3bws s THR 273 Ca -0.03 0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.35 3bws s THR 273 Cb -0.05 -2.25 0.29 0.00 1.34 0.00 0.00 72.50 71.84 3bws s THR 273 CO -0.03 -0.09 1.07 0.47 -0.54 0.00 0.00 174.62 175.51 3bws n ASP 274 N -4.45 -1.94 -4.70 3.99 8.00 -1.26 -4.59 116.55 111.60 3bws n ASP 274 Ca 0.06 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 3bws n ASP 274 Cb 0.54 -0.97 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 3bws n ASP 274 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bws s LYS 275 N -5.43 4.17 -0.13 -1.24 1.02 -1.26 -4.57 119.74 112.30 3bws s LYS 275 Ca 0.69 2.46 0.15 0.00 0.02 0.00 0.00 55.97 59.30 3bws s LYS 275 Cb -0.06 -3.46 0.39 0.00 -0.52 0.00 0.00 37.83 34.17 3bws s LYS 275 CO 0.53 -0.75 1.19 0.44 -0.92 0.00 0.00 175.35 175.83 3bws n ILE 276 N 4.51 1.46 0.00 2.17 -6.64 0.09 -5.00 119.36 115.94 3bws n ILE 276 Ca 0.16 -2.36 0.00 0.00 -1.77 0.00 0.00 62.75 58.78 3bws n ILE 276 Cb 0.39 0.13 0.00 0.00 -1.44 0.00 0.00 39.64 38.72 3bws n ILE 276 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3bws n GLY 277 N -0.66 0.30 3.47 3.28 0.00 -1.26 -4.82 105.19 105.50 3bws n GLY 277 Ca 0.14 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 3bws n GLY 277 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bws s LEU 278 N -0.45 4.42 0.23 0.99 0.20 -0.13 -4.39 118.68 119.56 3bws s LEU 278 Ca 0.00 -0.79 -0.17 0.00 0.69 0.00 0.00 54.13 53.86 3bws s LEU 278 Cb 0.00 -2.55 -0.08 0.00 -0.43 0.00 0.00 46.19 43.12 3bws s LEU 278 CO 0.00 -1.28 0.69 -2.16 -0.29 0.00 0.00 176.35 173.31 3bws s PRO 279 N 3.75 4.13 0.00 0.98 0.04 -1.26 0.16 135.00 142.81 3bws s PRO 279 Ca 0.23 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3bws s PRO 279 Cb -0.16 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3bws s PRO 279 CO 0.13 0.36 0.00 -2.13 0.04 0.00 0.00 177.00 175.40 3bws n ARG 280 N 0.48 0.00 -1.85 4.56 0.63 0.17 -4.51 116.66 116.14 3bws n ARG 280 Ca -0.02 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.55 3bws n ARG 280 Cb 0.52 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.48 3bws n ARG 280 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3bws s GLY 281 N -1.07 2.83 0.02 5.14 0.00 -0.21 -4.48 107.32 109.56 3bws s GLY 281 Ca 0.00 1.17 0.01 0.00 0.00 0.00 0.00 44.72 45.90 3bws s GLY 281 CO 0.00 1.60 -0.05 1.08 0.00 0.00 0.00 173.10 175.73 3bws s LEU 282 N -4.07 2.17 -0.19 0.66 1.43 -1.26 -1.21 118.68 116.20 3bws s LEU 282 Ca 0.78 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 3bws s LEU 282 Cb -0.36 -0.10 0.06 0.00 0.03 0.00 0.00 46.19 45.82 3bws s LEU 282 CO 0.39 -0.15 0.49 -0.22 0.23 0.00 0.00 176.35 177.09 3bws s LEU 283 N -1.05 -0.14 0.03 1.79 2.96 -0.90 -4.76 118.68 116.60 3bws s LEU 283 Ca -0.08 1.03 -0.18 0.00 -0.22 0.00 0.00 54.13 54.69 3bws s LEU 283 Cb -0.07 1.66 -0.06 0.00 0.50 0.00 0.00 46.19 48.22 3bws s LEU 283 CO -0.00 -0.19 0.51 -0.22 -1.32 0.00 0.00 176.35 175.13 3bws s LEU 284 N 0.95 4.48 0.69 -0.68 2.96 -1.26 -0.79 118.68 125.02 3bws s LEU 284 Ca -0.05 1.12 -0.17 0.00 -0.22 0.00 0.00 54.13 54.80 3bws s LEU 284 Cb -0.06 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.87 3bws s LEU 284 CO -0.08 0.25 1.25 -1.54 -1.32 0.00 0.00 176.35 174.92 3bws n SER 285 N 2.01 1.75 0.01 3.68 3.41 0.36 -4.90 113.62 119.94 3bws n SER 285 Ca -0.11 0.77 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 3bws n SER 285 Cb 0.51 -1.54 0.49 0.00 -0.26 0.00 0.00 64.21 63.42 3bws n SER 285 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3bws h LYS 286 N 0.16 0.40 -0.17 4.33 1.57 -1.96 -0.45 116.57 120.44 3bws h LYS 286 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3bws h LYS 286 Cb 1.33 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3bws h LYS 286 CO 0.51 0.26 0.00 -0.40 -0.57 0.00 0.00 179.45 179.25 3bws n ASP 287 N -4.48 1.89 0.00 0.86 5.68 -1.26 -4.94 116.55 114.30 3bws n ASP 287 Ca 0.04 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3bws n ASP 287 Cb 0.18 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3bws n ASP 287 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bws n GLY 288 N 1.18 0.91 0.17 6.12 0.00 -0.18 -4.87 105.19 108.52 3bws n GLY 288 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3bws n GLY 288 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bws h LYS 289 N 2.20 0.00 -4.95 1.61 5.09 -1.92 -3.46 116.57 115.14 3bws h LYS 289 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 60.65 60.31 3bws h LYS 289 Cb 0.00 0.00 -0.29 0.00 0.10 0.00 0.00 32.23 32.04 3bws h LYS 289 CO 0.00 0.20 -0.79 -1.21 -2.09 0.00 0.00 179.45 175.56 3bws s GLU 290 N -3.12 0.90 -0.25 0.07 2.02 -1.26 -4.31 118.70 112.76 3bws s GLU 290 Ca 0.04 -0.39 -0.06 0.00 0.02 0.00 0.00 54.97 54.58 3bws s GLU 290 Cb 0.07 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.42 3bws s GLU 290 CO 0.72 0.24 0.04 -1.17 0.02 0.00 0.00 175.26 175.10 3bws s LEU 291 N -0.25 3.38 -0.12 1.80 2.96 0.49 -0.49 118.68 126.46 3bws s LEU 291 Ca 0.04 -0.42 -0.24 0.00 -0.22 0.00 0.00 54.13 53.29 3bws s LEU 291 Cb -0.04 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3bws s LEU 291 CO -0.00 -0.08 0.76 -0.31 -1.32 0.00 0.00 176.35 175.40 3bws s TYR 292 N 1.53 3.49 -0.22 5.38 2.02 0.03 -0.43 117.35 129.16 3bws s TYR 292 Ca 0.05 1.23 -0.01 0.00 -0.37 0.00 0.00 57.07 57.97 3bws s TYR 292 Cb -0.15 -2.91 0.02 0.00 -0.40 0.00 0.00 41.96 38.52 3bws s TYR 292 CO 0.01 -0.09 -0.10 0.42 -1.57 0.00 0.00 175.55 174.22 3bws s ILE 293 N 1.50 2.70 -0.48 2.71 1.01 0.41 -2.13 121.20 126.93 3bws s ILE 293 Ca 0.37 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 3bws s ILE 293 Cb -0.17 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.04 3bws s ILE 293 CO 0.15 0.35 1.33 0.00 0.00 0.00 0.00 174.94 176.77 3bws s ALA 294 N 1.34 3.00 -0.35 9.38 0.00 -0.35 -0.04 121.76 134.74 3bws s ALA 294 Ca 0.03 -0.43 -0.25 0.00 0.00 0.00 0.00 51.96 51.31 3bws s ALA 294 Cb -0.15 -3.98 0.01 0.00 0.00 0.00 0.00 23.12 19.00 3bws s ALA 294 CO -0.07 -2.53 0.85 -0.65 0.00 0.00 0.00 175.76 173.36 3bws s GLN 295 N 4.98 3.86 0.25 0.00 -0.21 -0.84 -0.66 119.66 127.04 3bws s GLN 295 Ca 0.54 0.53 0.03 0.00 0.02 0.00 0.00 55.36 56.48 3bws s GLN 295 Cb -0.11 -3.78 0.30 0.00 1.00 0.00 0.00 33.01 30.42 3bws s GLN 295 CO 0.30 -0.84 1.61 0.35 -2.12 0.00 0.00 175.29 174.59 3bws h PHE 296 N 8.35 0.42 -3.53 0.91 3.57 -0.00 -0.33 116.94 126.33 3bws h PHE 296 Ca -0.24 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.04 3bws h PHE 296 Cb 1.09 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 3bws h PHE 296 CO 0.80 0.77 -0.00 -1.54 -2.23 0.00 0.00 178.31 176.11 3bws s SER 297 N -6.88 0.16 0.40 0.41 1.04 -1.20 -3.97 113.70 103.65 3bws s SER 297 Ca -0.05 -1.07 0.09 0.00 0.48 0.00 0.00 55.95 55.40 3bws s SER 297 Cb 0.12 0.69 0.84 0.00 0.10 0.00 0.00 66.02 67.77 3bws s SER 297 CO 0.80 -1.33 1.97 0.00 0.98 0.00 0.00 173.24 175.66 3bws h ALA 298 N 2.13 1.59 -1.72 5.32 0.00 -1.43 -0.32 119.26 124.83 3bws h ALA 298 Ca -0.27 -0.14 0.31 0.00 0.00 0.00 0.00 54.91 54.81 3bws h ALA 298 Cb 1.25 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 3bws h ALA 298 CO 0.36 0.30 0.81 -1.54 0.00 0.00 0.00 179.25 179.18 3bws s SER 299 N -6.85 -0.05 0.30 0.00 1.04 -1.26 -3.69 113.70 103.20 3bws s SER 299 Ca -0.06 -0.20 0.24 0.00 0.48 0.00 0.00 55.95 56.41 3bws s SER 299 Cb 0.16 0.20 1.07 0.00 0.10 0.00 0.00 66.02 67.55 3bws s SER 299 CO 0.73 -0.38 1.73 0.78 0.98 0.00 0.00 173.24 177.09 3bws h ASN 300 N 2.00 0.00 1.24 7.02 4.21 -1.90 -2.53 115.58 125.62 3bws h ASN 300 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 3bws h ASN 300 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3bws h ASN 300 CO 0.29 0.00 -0.18 0.00 -1.29 0.00 0.00 177.43 176.25 3bws n GLN 301 N -2.32 0.24 -4.65 0.81 3.00 -1.26 -4.88 117.38 108.32 3bws n GLN 301 Ca 0.01 0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.85 3bws n GLN 301 Cb 0.19 -1.74 -0.13 0.00 0.00 0.00 0.00 30.24 28.57 3bws n GLN 301 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3bws s GLU 302 N -3.11 1.97 0.03 -1.09 2.02 -0.95 -5.04 118.70 112.54 3bws s GLU 302 Ca 0.10 -1.04 0.25 0.00 0.02 0.00 0.00 54.97 54.30 3bws s GLU 302 Cb 0.13 -2.14 0.49 0.00 0.10 0.00 0.00 34.13 32.72 3bws s GLU 302 CO 0.63 0.53 1.41 -1.13 0.02 0.00 0.00 175.26 176.71 3bws n SER 303 N 1.48 0.53 0.00 -0.19 3.41 -1.26 -4.57 113.62 113.01 3bws n SER 303 Ca -0.16 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3bws n SER 303 Cb 0.52 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3bws n SER 303 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bws n GLY 304 N 1.45 4.16 2.01 5.00 0.00 -1.26 -4.91 105.19 111.65 3bws n GLY 304 Ca 0.05 -0.73 -0.00 0.00 0.00 0.00 0.00 46.02 45.33 3bws n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bws n GLY 305 N 0.00 0.45 3.82 -0.02 0.00 -1.19 -1.73 105.19 106.51 3bws n GLY 305 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3bws n GLY 305 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bws s GLY 306 N -2.53 2.54 0.38 -0.02 0.00 -0.20 -3.81 107.32 103.69 3bws s GLY 306 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 44.72 45.05 3bws s GLY 306 CO 0.00 0.61 0.19 0.50 0.00 0.00 0.00 173.10 174.40 3bws s ARG 307 N -2.51 1.87 -0.46 2.90 0.52 -1.25 -0.41 118.95 119.60 3bws s ARG 307 Ca 0.52 -2.13 -0.29 0.00 -0.52 0.00 0.00 55.73 53.31 3bws s ARG 307 Cb -0.14 -0.23 0.03 0.00 0.52 0.00 0.00 34.95 35.13 3bws s ARG 307 CO 0.19 -0.56 1.18 -1.17 0.02 0.00 0.00 175.30 174.96 3bws s LEU 308 N -3.52 3.64 0.20 2.53 2.96 -0.62 -1.99 118.68 121.89 3bws s LEU 308 Ca 0.30 0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 54.47 3bws s LEU 308 Cb 0.02 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 3bws s LEU 308 CO 0.20 -1.26 0.95 -0.83 -1.32 0.00 0.00 176.35 174.09 3bws s GLY 309 N 2.64 3.08 -0.32 7.98 0.00 0.94 -0.99 107.32 120.66 3bws s GLY 309 Ca 0.50 0.62 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 3bws s GLY 309 CO 0.31 1.28 0.04 -0.42 0.00 0.00 0.00 173.10 174.32 3bws s ILE 310 N -0.83 3.21 -0.26 0.90 1.01 -0.15 -0.44 121.20 124.63 3bws s ILE 310 Ca 0.43 -1.39 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3bws s ILE 310 Cb -0.26 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3bws s ILE 310 CO 0.32 -0.18 0.20 -0.47 0.00 0.00 0.00 174.94 174.81 3bws s TYR 311 N 1.28 3.26 0.53 3.97 5.04 0.43 -0.73 117.35 131.13 3bws s TYR 311 Ca -0.03 0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.71 3bws s TYR 311 Cb -0.20 -2.37 0.12 0.00 0.35 0.00 0.00 41.96 39.87 3bws s TYR 311 CO -0.00 -0.09 0.68 0.45 -1.34 0.00 0.00 175.55 175.24 3bws n SER 312 N 4.82 -0.21 0.00 4.32 2.88 0.52 -0.38 113.62 125.57 3bws n SER 312 Ca -0.14 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.22 3bws n SER 312 Cb 0.52 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 3bws n SER 312 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3bws n ASP 314 N -3.53 0.00 0.07 -3.46 9.92 -1.26 -0.12 116.55 118.16 3bws n ASP 314 Ca 0.09 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.47 3bws n ASP 314 Cb 0.30 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 41.14 3bws n ASP 314 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3bws n LYS 315 N 0.00 0.21 -3.88 -1.24 5.02 -1.26 -4.95 118.16 112.06 3bws n LYS 315 Ca 0.00 0.13 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 3bws n LYS 315 Cb 0.00 -1.70 -0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3bws n LYS 315 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bws n GLU 316 N -2.05 -3.81 -3.64 1.97 -0.58 0.83 -4.99 120.64 108.38 3bws n GLU 316 Ca 0.05 0.47 -0.14 0.00 -0.42 0.00 0.00 57.16 57.12 3bws n GLU 316 Cb 0.41 -4.75 -0.07 0.00 -0.57 0.00 0.00 31.44 26.47 3bws n GLU 316 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3bws s LYS 317 N -6.39 0.91 -0.14 3.49 -0.14 -1.17 -4.85 119.74 111.45 3bws s LYS 317 Ca 0.03 -0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.18 3bws s LYS 317 Cb -0.02 0.41 -0.04 0.00 -1.68 0.00 0.00 37.83 36.51 3bws s LYS 317 CO 0.87 -0.30 1.55 -0.51 -0.76 0.00 0.00 175.35 176.20 3bws s LEU 318 N -1.66 4.14 0.02 3.17 1.43 -1.26 -0.36 118.68 124.16 3bws s LEU 318 Ca -0.09 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 54.95 3bws s LEU 318 Cb -0.02 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.43 3bws s LEU 318 CO 0.02 -1.00 0.93 0.16 0.23 0.00 0.00 176.35 176.69 3bws h ILE 319 N 5.75 1.23 -3.62 -0.59 3.07 -1.28 -3.47 117.51 118.60 3bws h ILE 319 Ca -0.34 -2.96 -0.07 0.00 1.55 0.00 0.00 64.86 63.04 3bws h ILE 319 Cb 1.15 2.68 -0.13 0.00 -0.27 0.00 0.00 36.82 40.25 3bws h ILE 319 CO 0.97 0.77 -0.22 -0.62 -1.05 0.00 0.00 178.15 178.01 3bws s ASP 320 N -6.64 -0.06 -0.10 2.16 -1.08 -1.19 -5.03 116.67 104.73 3bws s ASP 320 Ca -0.05 -0.54 -0.01 0.00 -0.52 0.00 0.00 52.55 51.43 3bws s ASP 320 Cb 0.08 0.42 0.03 0.00 -1.46 0.00 0.00 42.92 41.99 3bws s ASP 320 CO 0.83 -0.83 -0.04 0.42 0.52 0.00 0.00 175.17 176.07 3bws s THR 321 N -3.86 0.77 0.31 1.71 -4.23 -1.26 -0.98 115.64 108.12 3bws s THR 321 Ca 0.06 -0.16 0.10 0.00 -1.18 0.00 0.00 61.69 60.51 3bws s THR 321 Cb 0.03 -0.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.94 3bws s THR 321 CO -0.09 0.30 -0.14 0.27 -0.54 0.00 0.00 174.62 174.42 3bws s ILE 322 N 1.81 2.31 0.00 2.99 -4.36 -0.16 -4.89 121.20 118.90 3bws s ILE 322 Ca 0.05 -2.29 0.00 0.00 -0.26 0.00 0.00 60.65 58.15 3bws s ILE 322 Cb -0.13 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3bws s ILE 322 CO -0.07 -0.29 0.00 0.61 0.24 0.00 0.00 174.94 175.43 3bws n GLY 323 N -0.71 -1.61 3.77 6.27 0.00 -1.26 -1.59 105.19 110.06 3bws n GLY 323 Ca -0.05 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 3bws n GLY 323 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bws s PRO 324 N -2.04 2.55 0.33 1.61 0.04 -1.26 -4.82 135.00 131.42 3bws s PRO 324 Ca 0.00 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 3bws s PRO 324 Cb 0.00 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 3bws s PRO 324 CO 0.00 -1.43 1.30 -1.25 0.04 0.00 0.00 177.00 175.66 3bws s PRO 325 N -4.42 4.34 0.00 0.56 0.04 -1.26 -4.68 135.00 129.58 3bws s PRO 325 Ca 0.65 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.88 3bws s PRO 325 Cb -0.19 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3bws s PRO 325 CO 0.48 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.74 3bws n GLY 326 N 0.80 1.56 2.76 0.56 0.00 0.45 -4.78 105.19 106.54 3bws n GLY 326 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3bws n GLY 326 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bws s ASN 327 N 2.00 3.81 0.26 1.61 0.01 -1.25 -1.03 114.94 120.34 3bws s ASN 327 Ca 0.00 -3.26 -0.29 0.00 -0.71 0.00 0.00 52.86 48.60 3bws s ASN 327 Cb 0.00 -1.25 -0.09 0.00 0.41 0.00 0.00 41.25 40.32 3bws s ASN 327 CO 0.00 -0.17 1.22 -0.54 -1.51 0.00 0.00 177.10 176.10 3bws s LYS 328 N -0.52 4.48 0.00 -0.60 -0.14 -0.13 -4.21 119.74 118.61 3bws s LYS 328 Ca 0.23 1.99 0.00 0.00 -1.36 0.00 0.00 55.97 56.83 3bws s LYS 328 Cb -0.11 -3.17 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 3bws s LYS 328 CO -0.10 -0.06 0.00 -2.13 -0.76 0.00 0.00 175.35 172.30 3bws n ARG 329 N 1.65 0.00 -4.31 1.68 0.00 -0.23 -2.57 116.66 112.89 3bws n ARG 329 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.55 3bws n ARG 329 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.80 3bws n ARG 329 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3bws s HIS 330 N -0.51 2.94 -0.08 -0.14 2.46 -1.25 -1.04 115.29 117.67 3bws s HIS 330 Ca 0.00 -0.02 0.01 0.00 0.47 0.00 0.00 55.06 55.52 3bws s HIS 330 Cb 0.00 -1.59 0.02 0.00 -0.13 0.00 0.00 32.58 30.88 3bws s HIS 330 CO 0.00 0.43 -0.09 0.42 -2.47 0.00 0.00 174.74 173.03 3bws s ILE 331 N -1.12 0.99 0.12 0.89 1.01 -1.26 -2.08 121.20 119.75 3bws s ILE 331 Ca 0.20 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.56 3bws s ILE 331 Cb -0.11 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3bws s ILE 331 CO 0.11 0.34 -0.12 0.68 0.00 0.00 0.00 174.94 175.95 3bws s VAL 332 N 1.10 1.20 0.37 2.92 -7.23 -0.65 -4.73 120.40 113.38 3bws s VAL 332 Ca -0.07 -1.77 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 3bws s VAL 332 Cb -0.14 -1.55 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 3bws s VAL 332 CO -0.01 -0.52 1.34 -0.44 -0.31 0.00 0.00 175.10 175.15 3bws s SER 333 N -2.60 6.53 0.68 4.85 0.01 -1.26 -0.94 113.70 120.97 3bws s SER 333 Ca 0.10 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.09 3bws s SER 333 Cb -0.03 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3bws s SER 333 CO 0.02 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.57 3bws n GLY 334 N 0.69 -0.22 0.03 3.44 0.00 0.24 -4.77 105.19 104.61 3bws n GLY 334 Ca 0.02 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.36 3bws n GLY 334 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bws n ASN 335 N -2.90 0.47 -4.46 1.61 5.15 -1.26 -4.81 115.26 109.07 3bws n ASN 335 Ca 0.00 0.18 -0.28 0.00 -0.60 0.00 0.00 54.58 53.88 3bws n ASN 335 Cb 0.00 -0.14 -0.12 0.00 -0.53 0.00 0.00 39.78 38.99 3bws n ASN 335 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3bws s THR 336 N -3.06 2.59 0.32 -0.44 -4.23 -1.26 -5.05 115.64 104.50 3bws s THR 336 Ca 0.10 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 3bws s THR 336 Cb 0.16 -2.21 0.30 0.00 1.34 0.00 0.00 72.50 72.09 3bws s THR 336 CO 0.64 0.00 1.84 1.05 -0.54 0.00 0.00 174.62 177.61 3bws h GLU 337 N 3.49 0.81 -0.00 3.99 9.09 -2.03 -1.33 114.58 128.59 3bws h GLU 337 Ca -0.49 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.87 3bws h GLU 337 Cb 1.19 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 3bws h GLU 337 CO 0.46 0.54 -0.04 -1.71 0.05 0.00 0.00 179.01 178.31 3bws n ASN 338 N -4.61 0.38 -4.54 3.06 5.15 -1.26 -4.90 115.26 108.53 3bws n ASN 338 Ca 0.19 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 53.03 3bws n ASN 338 Cb 0.44 -0.07 -0.11 0.00 -0.53 0.00 0.00 39.78 39.50 3bws n ASN 338 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3bws s LYS 339 N -2.25 3.68 -0.03 1.20 2.20 -0.50 -1.76 119.74 122.27 3bws s LYS 339 Ca 0.37 -0.47 0.05 0.00 -0.36 0.00 0.00 55.97 55.56 3bws s LYS 339 Cb 0.21 -2.96 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 3bws s LYS 339 CO 0.41 0.29 -0.18 0.42 -0.36 0.00 0.00 175.35 175.94 3bws s ILE 340 N 0.25 1.46 -0.10 5.43 -1.09 -1.05 -0.59 121.20 125.51 3bws s ILE 340 Ca -0.01 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.63 3bws s ILE 340 Cb -0.14 -1.24 -0.03 0.00 -1.58 0.00 0.00 42.46 39.47 3bws s ILE 340 CO 0.02 0.42 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.82 3bws s TYR 341 N -0.16 3.08 -0.07 3.97 2.02 -0.11 -0.59 117.35 125.49 3bws s TYR 341 Ca 0.01 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3bws s TYR 341 Cb -0.10 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 3bws s TYR 341 CO 0.01 0.30 -0.04 0.08 -1.57 0.00 0.00 175.55 174.33 3bws s VAL 342 N -0.49 0.60 0.09 0.71 1.01 0.36 -1.63 120.40 121.04 3bws s VAL 342 Ca 0.08 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3bws s VAL 342 Cb -0.12 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3bws s VAL 342 CO 0.02 0.27 1.00 -0.94 0.00 0.00 0.00 175.10 175.45 3bws s SER 343 N 1.41 7.41 0.35 3.32 1.04 -0.88 0.28 113.70 126.63 3bws s SER 343 Ca -0.03 1.80 0.01 0.00 0.48 0.00 0.00 55.95 58.22 3bws s SER 343 Cb -0.13 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.42 3bws s SER 343 CO -0.03 -0.16 0.11 -0.67 0.98 0.00 0.00 173.24 173.47 3bws n ASP 344 N 3.11 2.63 0.00 7.02 -0.08 -0.73 -1.06 116.55 127.43 3bws n ASP 344 Ca 0.04 -2.41 0.00 0.00 -1.51 0.00 0.00 54.79 50.91 3bws n ASP 344 Cb 0.49 0.13 0.00 0.00 2.34 0.00 0.00 41.12 44.08 3bws n ASP 344 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bws n SER 348 N 0.36 -2.94 -3.81 0.00 7.64 -1.24 -4.91 113.62 108.71 3bws n SER 348 Ca 0.04 -0.89 -0.11 0.00 1.01 0.00 0.00 58.87 58.92 3bws n SER 348 Cb 1.02 -3.48 -0.08 0.00 -1.01 0.00 0.00 64.21 60.66 3bws n SER 348 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3bws s LYS 349 N -6.58 0.69 -0.21 1.43 -2.85 -1.25 -0.81 119.74 110.17 3bws s LYS 349 Ca 0.44 -0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 54.87 3bws s LYS 349 Cb -0.23 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.81 3bws s LYS 349 CO 0.86 -0.20 0.03 0.42 0.10 0.00 0.00 175.35 176.56 3bws s ILE 350 N -2.17 4.17 -0.08 3.79 -1.09 -0.23 -1.78 121.20 123.80 3bws s ILE 350 Ca -0.08 -0.24 -0.16 0.00 -2.23 0.00 0.00 60.65 57.95 3bws s ILE 350 Cb -0.03 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.91 3bws s ILE 350 CO -0.01 0.41 0.40 -1.61 -1.23 0.00 0.00 174.94 172.90 3bws s GLU 351 N 1.04 4.15 -0.40 2.79 2.02 0.14 0.60 118.70 129.05 3bws s GLU 351 Ca 0.03 0.34 -0.12 0.00 0.02 0.00 0.00 54.97 55.24 3bws s GLU 351 Cb -0.14 -3.35 0.04 0.00 0.10 0.00 0.00 34.13 30.78 3bws s GLU 351 CO 0.02 0.38 0.25 0.08 0.02 0.00 0.00 175.26 176.02 3bws s VAL 352 N -0.07 4.69 0.07 2.63 1.01 0.39 -0.48 120.40 128.63 3bws s VAL 352 Ca 0.23 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3bws s VAL 352 Cb -0.15 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3bws s VAL 352 CO 0.10 -0.33 0.43 -0.31 0.00 0.00 0.00 175.10 174.99 3bws s TYR 353 N 1.56 3.62 -0.33 5.22 2.02 0.24 0.17 117.35 129.85 3bws s TYR 353 Ca 0.03 0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 57.52 3bws s TYR 353 Cb -0.20 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.15 3bws s TYR 353 CO 0.06 0.53 0.15 0.34 -1.57 0.00 0.00 175.55 175.06 3bws s ASP 354 N -1.60 5.48 0.19 2.29 -1.08 0.20 -2.52 116.67 119.62 3bws s ASP 354 Ca 0.32 -0.81 -0.05 0.00 -0.52 0.00 0.00 52.55 51.48 3bws s ASP 354 Cb -0.15 -1.96 0.10 0.00 -1.46 0.00 0.00 42.92 39.45 3bws s ASP 354 CO 0.17 -0.28 1.52 -0.07 0.52 0.00 0.00 175.17 177.04 3bws h LEU 355 N 8.33 0.74 0.91 -1.34 3.38 -1.63 0.02 115.31 125.73 3bws h LEU 355 Ca -0.28 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.29 3bws h LEU 355 Cb 1.12 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.67 3bws h LEU 355 CO 0.63 1.08 -0.44 0.50 0.09 0.00 0.00 178.44 180.30 3bws h LYS 356 N 0.55 -1.18 0.00 1.13 3.64 -1.95 -2.82 116.57 115.94 3bws h LYS 356 Ca 0.04 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3bws h LYS 356 Cb 0.99 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3bws h LYS 356 CO 0.09 -0.78 0.00 0.39 -2.27 0.00 0.00 179.45 176.88 3bws n GLU 357 N -5.59 0.83 -3.92 1.90 -0.58 -1.24 -4.93 120.64 107.10 3bws n GLU 357 Ca -0.15 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.26 3bws n GLU 357 Cb 0.48 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3bws n GLU 357 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3bws n LYS 358 N -1.01 -1.61 -3.89 3.49 2.85 -0.06 -4.97 118.16 112.95 3bws n LYS 358 Ca 0.20 0.32 -0.09 0.00 -1.05 0.00 0.00 58.31 57.68 3bws n LYS 358 Cb 0.10 -3.83 -0.06 0.00 -0.65 0.00 0.00 35.03 30.58 3bws n LYS 358 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3bws s LYS 359 N -6.63 1.18 -0.34 -1.58 -2.85 -0.88 -4.77 119.74 103.88 3bws s LYS 359 Ca 0.29 -1.07 -0.29 0.00 -1.00 0.00 0.00 55.97 53.89 3bws s LYS 359 Cb -0.12 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 3bws s LYS 359 CO 0.91 -0.44 1.10 0.08 0.10 0.00 0.00 175.35 177.09 3bws s VAL 360 N -3.93 4.45 -0.70 1.79 1.01 -1.26 -0.63 120.40 121.13 3bws s VAL 360 Ca 0.14 1.65 0.25 0.00 0.00 0.00 0.00 61.98 64.02 3bws s VAL 360 Cb 0.02 -4.42 0.12 0.00 0.00 0.00 0.00 36.38 32.10 3bws s VAL 360 CO -0.02 -0.54 1.48 0.00 0.00 0.00 0.00 175.10 176.01 3bws n GLN 361 N 7.01 0.26 -3.63 2.72 10.64 0.13 -4.93 117.38 129.58 3bws n GLN 361 Ca 0.12 0.12 -0.05 0.00 -1.83 0.00 0.00 57.00 55.36 3bws n GLN 361 Cb 0.47 -1.71 -0.06 0.00 -0.86 0.00 0.00 30.24 28.09 3bws n GLN 361 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3bws s LYS 362 N -3.13 0.23 -0.10 2.61 2.20 -1.19 -5.02 119.74 115.34 3bws s LYS 362 Ca 0.08 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.87 3bws s LYS 362 Cb 0.13 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 3bws s LYS 362 CO 0.68 -0.05 -0.15 -1.12 -0.36 0.00 0.00 175.35 174.35 3bws s SER 363 N -0.39 3.92 -0.27 1.43 0.01 -1.26 -0.46 113.70 116.67 3bws s SER 363 Ca 0.05 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 3bws s SER 363 Cb -0.03 -1.37 -0.01 0.00 0.21 0.00 0.00 66.02 64.82 3bws s SER 363 CO -0.09 0.22 0.07 -0.63 0.41 0.00 0.00 173.24 173.22 3bws s ILE 364 N 0.05 4.12 0.16 1.44 1.01 0.20 -4.93 121.20 123.25 3bws s ILE 364 Ca -0.05 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 3bws s ILE 364 Cb -0.15 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 3bws s ILE 364 CO 0.04 0.21 1.51 -2.84 0.00 0.00 0.00 174.94 173.86 3bws s PRO 365 N 1.56 4.25 0.00 2.79 0.02 -1.26 -1.07 135.00 141.29 3bws s PRO 365 Ca 0.05 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3bws s PRO 365 Cb -0.16 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3bws s PRO 365 CO 0.03 -0.54 0.00 1.33 -0.33 0.00 0.00 177.00 177.49 3bws n VAL 366 N 3.76 0.00 -2.30 3.83 0.24 0.00 -4.89 118.33 118.97 3bws n VAL 366 Ca 0.12 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.17 3bws n VAL 366 Cb 0.40 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.85 3bws n VAL 366 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3bws s PHE 367 N -0.43 2.54 0.36 6.34 5.36 -1.26 -4.74 117.98 126.15 3bws s PHE 367 Ca 0.00 0.24 -0.27 0.00 -0.96 0.00 0.00 56.93 55.94 3bws s PHE 367 Cb 0.00 -3.20 -0.12 0.00 -0.34 0.00 0.00 43.02 39.36 3bws s PHE 367 CO 0.00 -1.52 1.30 -0.25 -1.46 0.00 0.00 175.22 173.29 3bws n ASP 368 N -2.92 2.79 -3.07 6.13 8.00 -1.26 -4.00 116.55 122.22 3bws n ASP 368 Ca 0.10 1.19 -0.14 0.00 0.71 0.00 0.00 54.79 56.65 3bws n ASP 368 Cb 0.60 -1.50 0.06 0.00 -0.02 0.00 0.00 41.12 40.27 3bws n ASP 368 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bws n LYS 369 N 0.44 -2.59 -2.13 -1.24 4.76 -1.26 -1.80 118.16 114.33 3bws n LYS 369 Ca 0.05 0.77 -0.42 0.00 -2.87 0.00 0.00 58.31 55.84 3bws n LYS 369 Cb 0.37 -5.37 -0.03 0.00 -1.84 0.00 0.00 35.03 28.16 3bws n LYS 369 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3bws s PRO 370 N -4.38 4.27 0.00 1.97 0.04 -1.26 -0.68 135.00 134.96 3bws s PRO 370 Ca 0.35 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3bws s PRO 370 Cb -0.05 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3bws s PRO 370 CO 0.66 -0.59 0.00 0.27 0.04 0.00 0.00 177.00 177.38 3bws n ASN 371 N 5.11 0.00 -4.75 6.66 0.23 0.17 -4.51 115.26 118.17 3bws n ASN 371 Ca 0.13 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.78 3bws n ASN 371 Cb 0.42 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 3bws n ASN 371 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3bws s THR 372 N 0.32 3.60 0.13 5.53 2.01 -1.24 -4.11 115.64 121.88 3bws s THR 372 Ca 0.00 1.44 0.05 0.00 0.31 0.00 0.00 61.69 63.49 3bws s THR 372 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3bws s THR 372 CO 0.00 0.28 -0.12 0.27 -0.69 0.00 0.00 174.62 174.36 3bws s ILE 373 N -0.50 1.22 -0.16 1.82 -4.36 -1.26 -1.30 121.20 116.67 3bws s ILE 373 Ca 0.49 -1.87 -0.19 0.00 -0.26 0.00 0.00 60.65 58.82 3bws s ILE 373 Cb -0.32 -1.65 0.05 0.00 1.25 0.00 0.00 42.46 41.79 3bws s ILE 373 CO 0.38 -0.58 0.52 0.00 0.24 0.00 0.00 174.94 175.50 3bws s ALA 374 N -2.71 -1.30 -0.01 2.27 0.00 -0.55 -4.90 121.76 114.56 3bws s ALA 374 Ca 0.12 1.34 -0.20 0.00 0.00 0.00 0.00 51.96 53.22 3bws s ALA 374 Cb -0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3bws s ALA 374 CO 0.02 -0.27 0.57 -1.17 0.00 0.00 0.00 175.76 174.91 3bws s LEU 375 N -0.08 4.41 0.54 0.00 2.96 -1.26 -0.39 118.68 124.86 3bws s LEU 375 Ca -0.03 1.11 -0.22 0.00 -0.22 0.00 0.00 54.13 54.78 3bws s LEU 375 Cb -0.03 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 3bws s LEU 375 CO 0.02 0.12 1.34 -0.94 -1.32 0.00 0.00 176.35 175.57 3bws s SER 376 N -0.22 5.33 0.51 3.68 1.04 -0.08 -4.86 113.70 119.11 3bws s SER 376 Ca 0.30 2.71 0.28 0.00 0.48 0.00 0.00 55.95 59.72 3bws s SER 376 Cb -0.18 -2.63 1.39 0.00 0.10 0.00 0.00 66.02 64.70 3bws s SER 376 CO 0.16 -1.52 1.90 -0.65 0.98 0.00 0.00 173.24 174.11 3bws h PRO 377 N 1.48 0.08 -0.01 4.02 0.11 -1.87 0.31 132.00 136.12 3bws h PRO 377 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3bws h PRO 377 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3bws h PRO 377 CO 0.57 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3bws n ASP 378 N -4.34 0.78 0.00 -2.05 5.75 -1.26 -4.94 116.55 110.48 3bws n ASP 378 Ca 0.17 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 3bws n ASP 378 Cb 0.85 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 3bws n ASP 378 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bws n GLY 379 N 1.09 0.80 0.26 6.12 0.00 0.11 -4.90 105.19 108.67 3bws n GLY 379 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3bws n GLY 379 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bws h LYS 380 N 2.11 0.88 -6.54 1.61 3.64 -1.92 -3.43 116.57 112.91 3bws h LYS 380 Ca 0.00 -0.48 -0.67 0.00 -1.27 0.00 0.00 60.65 58.23 3bws h LYS 380 Cb 0.00 0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 31.57 3bws h LYS 380 CO 0.00 1.13 -0.87 0.71 -2.27 0.00 0.00 179.45 178.15 3bws s TYR 381 N -4.32 2.19 -0.23 1.91 2.02 -1.26 -1.72 117.35 115.94 3bws s TYR 381 Ca -0.10 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 3bws s TYR 381 Cb 0.11 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 3bws s TYR 381 CO 0.88 0.09 0.08 -1.17 -1.57 0.00 0.00 175.55 173.85 3bws s LEU 382 N -1.09 3.62 -0.07 -1.29 2.96 -0.05 -0.90 118.68 121.86 3bws s LEU 382 Ca 0.10 -0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.80 3bws s LEU 382 Cb -0.10 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3bws s LEU 382 CO 0.01 0.04 0.32 -0.31 -1.32 0.00 0.00 176.35 175.09 3bws s TYR 383 N 1.16 3.64 -0.10 5.38 2.02 0.48 0.09 117.35 130.02 3bws s TYR 383 Ca 0.05 0.79 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 3bws s TYR 383 Cb -0.14 -2.21 0.03 0.00 -0.40 0.00 0.00 41.96 39.23 3bws s TYR 383 CO 0.04 0.58 -0.05 0.08 -1.57 0.00 0.00 175.55 174.62 3bws s VAL 384 N -0.72 0.83 -0.10 0.71 1.01 0.43 -1.48 120.40 121.08 3bws s VAL 384 Ca 0.20 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 3bws s VAL 384 Cb -0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3bws s VAL 384 CO 0.09 0.33 0.78 -0.55 0.00 0.00 0.00 175.10 175.75 3bws s SER 385 N 1.74 7.01 -0.25 3.32 0.15 -0.42 -0.58 113.70 124.67 3bws s SER 385 Ca 0.04 1.23 -0.02 0.00 0.70 0.00 0.00 55.95 57.90 3bws s SER 385 Cb -0.13 -2.44 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3bws s SER 385 CO -0.07 -0.24 -0.05 0.00 1.20 0.00 0.00 173.24 174.07 3bws h ARG 387 N 8.01 0.00 0.00 0.00 2.43 -0.69 -1.93 114.38 122.20 3bws h ARG 387 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3bws h ARG 387 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3bws h ARG 387 CO 0.57 0.19 0.00 0.41 -1.51 0.00 0.00 179.97 179.63 3bws n GLY 388 N -0.60 1.50 3.76 2.80 0.00 -0.75 -3.81 105.19 108.10 3bws n GLY 388 Ca -0.02 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 3bws n GLY 388 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bws s PRO 389 N -2.38 4.44 0.38 1.61 0.04 -1.26 -4.42 135.00 133.41 3bws s PRO 389 Ca 0.00 2.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 3bws s PRO 389 Cb 0.00 -3.13 -0.11 0.00 0.04 0.00 0.00 34.50 31.30 3bws s PRO 389 CO 0.00 -0.09 1.49 0.09 0.04 0.00 0.00 177.00 178.53 3bws n ASN 390 N 1.25 3.81 -4.66 6.66 3.02 -1.26 -4.63 115.26 119.45 3bws n ASN 390 Ca 0.01 1.22 -0.57 0.00 -0.03 0.00 0.00 54.58 55.21 3bws n ASN 390 Cb 0.43 -1.63 -0.07 0.00 -0.61 0.00 0.00 39.78 37.90 3bws n ASN 390 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3bws n HIS 391 N 0.39 1.73 0.27 3.10 -0.00 -1.25 -4.81 115.22 114.65 3bws n HIS 391 Ca 0.01 0.69 0.13 0.00 -0.00 0.00 0.00 57.72 58.55 3bws n HIS 391 Cb 0.39 -2.36 0.76 0.00 -0.00 0.00 0.00 29.99 28.79 3bws n HIS 391 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3bws h PRO 392 N 5.75 0.00 0.00 1.57 0.13 -1.90 -0.48 132.00 137.07 3bws h PRO 392 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3bws h PRO 392 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3bws h PRO 392 CO 0.88 0.09 -1.24 0.25 -0.23 0.00 0.00 178.00 177.74 3bws n THR 393 N -3.79 0.00 0.13 1.56 -2.24 -1.26 -4.76 114.28 103.92 3bws n THR 393 Ca -0.02 -0.13 0.06 0.00 -2.27 0.00 0.00 64.05 61.68 3bws n THR 393 Cb 0.19 0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 3bws n THR 393 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bws n GLU 394 N -1.69 1.13 0.00 -0.78 4.71 -1.20 -5.13 120.64 117.68 3bws n GLU 394 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 3bws n GLU 394 Cb 0.15 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 3bws n GLU 394 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bws n GLY 395 N 1.70 -2.48 0.15 0.62 0.00 -0.19 -4.56 105.19 100.42 3bws n GLY 395 Ca -0.01 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.50 3bws n GLY 395 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3bws n TYR 396 N -0.51 0.81 0.34 1.61 4.11 -1.26 -2.29 117.16 119.96 3bws n TYR 396 Ca 0.00 0.36 0.15 0.00 -0.00 0.00 0.00 57.90 58.40 3bws n TYR 396 Cb 0.00 -1.07 0.54 0.00 -0.00 0.00 0.00 39.34 38.81 3bws n TYR 396 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3bws h LEU 397 N 0.00 0.00 -9.54 -3.48 3.38 -1.98 -3.44 115.31 100.25 3bws h LEU 397 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3bws h LEU 397 Cb 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 3bws h LEU 397 CO 0.00 0.00 -0.58 -0.75 0.09 0.00 0.00 178.44 177.20 3bws s LYS 398 N -3.46 3.04 0.09 1.13 2.20 -0.97 -5.07 119.74 116.70 3bws s LYS 398 Ca 0.04 -0.49 -0.37 0.00 -0.36 0.00 0.00 55.97 54.79 3bws s LYS 398 Cb 0.09 -2.84 -0.17 0.00 -1.51 0.00 0.00 37.83 33.40 3bws s LYS 398 CO 0.52 0.65 1.32 1.63 -0.36 0.00 0.00 175.35 179.11 3bws n LYS 399 N 1.22 1.10 -1.12 4.03 5.02 -1.26 -4.52 118.16 122.63 3bws n LYS 399 Ca -0.13 0.40 -0.29 0.00 -2.02 0.00 0.00 58.31 56.26 3bws n LYS 399 Cb 0.53 -2.03 0.21 0.00 -0.02 0.00 0.00 35.03 33.72 3bws n LYS 399 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bws s GLY 400 N 0.45 1.57 0.00 0.72 0.00 -1.26 -4.75 107.32 104.05 3bws s GLY 400 Ca 0.84 -0.67 0.23 0.00 0.00 0.00 0.00 44.72 45.13 3bws s GLY 400 CO 0.47 0.09 1.40 1.04 0.00 0.00 0.00 173.10 176.11 3bws n LEU 401 N -4.49 3.12 -3.95 0.66 4.77 -1.26 -4.82 117.00 111.03 3bws n LEU 401 Ca 0.09 -1.28 -0.19 0.00 -0.03 0.00 0.00 56.01 54.59 3bws n LEU 401 Cb 0.58 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 3bws n LEU 401 CO 0.51 0.64 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.10 3bws s VAL 402 N -1.64 0.63 0.53 4.08 1.01 -1.26 -4.92 120.40 118.84 3bws s VAL 402 Ca 0.36 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 3bws s VAL 402 Cb 0.22 -0.59 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 3bws s VAL 402 CO 0.31 0.22 1.03 -0.76 0.00 0.00 0.00 175.10 175.90 3bws s LEU 403 N 0.40 3.69 1.04 3.92 1.43 -1.26 -4.71 118.68 123.18 3bws s LEU 403 Ca -0.06 1.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 3bws s LEU 403 Cb -0.10 -4.54 0.23 0.00 0.03 0.00 0.00 46.19 41.81 3bws s LEU 403 CO 0.00 -0.87 1.27 -0.83 0.23 0.00 0.00 176.35 176.15 3bws s GLY 404 N -2.47 1.73 0.06 -3.19 0.00 -0.31 -4.77 107.32 98.37 3bws s GLY 404 Ca 0.64 -1.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 3bws s GLY 404 CO 0.28 -0.34 -0.04 0.54 0.00 0.00 0.00 173.10 173.54 3bws s LYS 405 N -5.77 0.62 -0.05 2.90 1.02 -0.73 -0.68 119.74 117.06 3bws s LYS 405 Ca 0.73 -1.19 0.04 0.00 0.02 0.00 0.00 55.97 55.57 3bws s LYS 405 Cb -0.05 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 3bws s LYS 405 CO 0.54 -0.09 -0.17 0.08 -0.92 0.00 0.00 175.35 174.79 3bws s VAL 406 N -3.69 2.83 -0.03 3.17 1.01 -0.11 -1.11 120.40 122.48 3bws s VAL 406 Ca 0.06 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3bws s VAL 406 Cb 0.06 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3bws s VAL 406 CO -0.08 0.58 -0.24 -0.31 0.00 0.00 0.00 175.10 175.05 3bws s TYR 407 N -0.57 2.16 -0.20 5.22 2.02 0.26 -1.62 117.35 124.62 3bws s TYR 407 Ca 0.08 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3bws s TYR 407 Cb -0.11 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 3bws s TYR 407 CO 0.01 -0.07 -0.12 0.08 -1.57 0.00 0.00 175.55 173.88 3bws s VAL 408 N -0.47 2.76 -0.14 0.71 1.01 -0.15 -0.43 120.40 123.70 3bws s VAL 408 Ca 0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 3bws s VAL 408 Cb -0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3bws s VAL 408 CO -0.00 0.48 -0.02 -0.63 0.00 0.00 0.00 175.10 174.93 3bws s ILE 409 N 1.36 4.11 -0.38 2.22 1.01 0.11 -0.58 121.20 129.06 3bws s ILE 409 Ca 0.05 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3bws s ILE 409 Cb -0.14 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.56 3bws s ILE 409 CO -0.07 0.52 0.71 -0.62 0.00 0.00 0.00 174.94 175.48 3bws s ASP 410 N 0.00 6.47 0.10 3.58 -1.08 0.21 -0.87 116.67 125.08 3bws s ASP 410 Ca 0.02 0.16 0.23 0.00 -0.52 0.00 0.00 52.55 52.44 3bws s ASP 410 Cb -0.13 -2.36 0.92 0.00 -1.46 0.00 0.00 42.92 39.88 3bws s ASP 410 CO 0.02 -0.70 1.72 0.35 0.52 0.00 0.00 175.17 177.08 3bws n THR 411 N 5.76 0.59 0.05 1.71 -2.24 -0.70 -0.18 114.28 119.28 3bws n THR 411 Ca 0.01 0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3bws n THR 411 Cb 0.48 -0.80 0.13 0.00 -2.10 0.00 0.00 70.33 68.04 3bws n THR 411 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3bws h THR 412 N 0.00 1.34 -0.00 4.28 1.35 -1.89 -3.33 112.91 114.66 3bws h THR 412 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3bws h THR 412 Cb 0.45 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3bws h THR 412 CO 0.00 0.53 -0.15 0.35 -0.25 0.00 0.00 175.52 176.00 3bws n THR 413 N -3.95 0.00 -3.95 6.82 -2.24 -1.03 -5.01 114.28 104.91 3bws n THR 413 Ca -0.02 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 3bws n THR 413 Cb 0.57 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 3bws n THR 413 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bws n ASP 414 N -0.59 -0.36 -4.12 3.42 8.00 0.75 -5.00 116.55 118.66 3bws n ASP 414 Ca 0.02 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.38 3bws n ASP 414 Cb 0.11 -3.06 -0.11 0.00 -0.02 0.00 0.00 41.12 38.03 3bws n ASP 414 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3bws s THR 415 N -3.95 0.75 -0.14 -3.53 -4.23 -1.15 -4.89 115.64 98.51 3bws s THR 415 Ca 0.01 -1.38 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 3bws s THR 415 Cb -0.01 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 3bws s THR 415 CO 0.89 -0.47 1.46 -0.69 -0.54 0.00 0.00 174.62 175.26 3bws s VAL 416 N -1.95 3.94 -0.04 2.29 1.01 -1.26 -0.62 120.40 123.76 3bws s VAL 416 Ca -0.02 1.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 3bws s VAL 416 Cb -0.06 -3.77 -0.31 0.00 0.00 0.00 0.00 36.38 32.24 3bws s VAL 416 CO -0.00 -0.15 0.84 0.50 0.00 0.00 0.00 175.10 176.29 3bws h LYS 417 N 9.09 0.34 -2.95 2.72 3.64 -1.17 -3.47 116.57 124.78 3bws h LYS 417 Ca -0.32 -0.58 0.03 0.00 -1.27 0.00 0.00 60.65 58.51 3bws h LYS 417 Cb 1.14 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 33.08 3bws h LYS 417 CO 0.97 1.28 0.24 -1.83 -2.27 0.00 0.00 179.45 177.84 3bws s GLU 418 N -2.47 1.48 0.11 1.90 -1.05 -1.17 -5.04 118.70 112.45 3bws s GLU 418 Ca -0.14 -0.70 -0.25 0.00 -0.15 0.00 0.00 54.97 53.73 3bws s GLU 418 Cb 0.02 0.58 0.08 0.00 -0.44 0.00 0.00 34.13 34.38 3bws s GLU 418 CO 0.84 -0.67 0.69 -0.59 0.95 0.00 0.00 175.26 176.49 3bws s PHE 419 N -3.78 -0.48 0.19 4.83 -0.71 -1.26 -0.98 117.98 115.80 3bws s PHE 419 Ca 0.06 0.29 -0.21 0.00 -1.04 0.00 0.00 56.93 56.03 3bws s PHE 419 Cb -0.03 0.55 0.05 0.00 -1.21 0.00 0.00 43.02 42.38 3bws s PHE 419 CO -0.03 -0.75 0.60 1.67 -1.34 0.00 0.00 175.22 175.36 3bws s TRP 420 N -3.55 -0.34 0.18 3.49 -2.14 -0.64 -4.99 118.94 110.96 3bws s TRP 420 Ca 0.02 0.03 -0.23 0.00 2.66 0.00 0.00 56.10 58.58 3bws s TRP 420 Cb -0.01 0.53 -0.08 0.00 -3.10 0.00 0.00 33.47 30.81 3bws s TRP 420 CO -0.12 -0.95 0.75 -2.00 -2.66 0.00 0.00 176.95 171.98 3bws s GLU 421 N -3.82 4.46 0.00 3.25 2.12 -1.26 -0.93 118.70 122.51 3bws s GLU 421 Ca 0.05 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.44 3bws s GLU 421 Cb -0.02 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3bws s GLU 421 CO -0.06 0.53 0.00 0.00 -0.54 0.00 0.00 175.26 175.19 3bws n ALA 422 N 1.36 0.00 -2.27 6.30 0.00 0.14 -4.88 120.51 121.17 3bws n ALA 422 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3bws n ALA 422 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3bws n ALA 422 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bws n GLY 423 N 5.00 3.18 3.60 0.00 0.00 -1.26 -4.44 105.19 111.27 3bws n GLY 423 Ca 0.00 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 3bws n GLY 423 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bws s ASN 424 N -0.46 6.57 -0.91 1.61 0.01 -1.26 -1.16 114.94 119.34 3bws s ASN 424 Ca 0.00 0.64 -0.04 0.00 -0.71 0.00 0.00 52.86 52.75 3bws s ASN 424 Cb 0.00 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 3bws s ASN 424 CO 0.00 -1.27 0.81 0.00 -1.51 0.00 0.00 177.10 175.13 3bws n GLN 425 N 7.82 -1.88 -1.58 -0.60 6.02 -1.25 -2.11 117.38 123.79 3bws n GLN 425 Ca 0.13 0.99 -0.49 0.00 -0.01 0.00 0.00 57.00 57.63 3bws n GLN 425 Cb 0.48 -5.58 -0.04 0.00 1.02 0.00 0.00 30.24 26.12 3bws n GLN 425 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3bws n PRO 426 N -2.75 1.20 0.16 -1.09 -0.02 -1.26 -0.86 135.00 130.38 3bws n PRO 426 Ca -0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3bws n PRO 426 Cb 0.58 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3bws n PRO 426 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3bws n THR 427 N 1.68 0.00 -2.49 3.45 -1.04 -0.00 -3.79 114.28 112.09 3bws n THR 427 Ca 0.15 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.81 3bws n THR 427 Cb 0.24 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 3bws n THR 427 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3bws s GLY 428 N -4.70 2.66 -0.23 3.41 0.00 -1.24 -3.67 107.32 103.55 3bws s GLY 428 Ca 0.00 0.71 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 3bws s GLY 428 CO 0.00 1.10 0.59 -2.27 0.00 0.00 0.00 173.10 172.52 3bws s LEU 429 N -3.03 -0.50 0.10 0.66 0.20 -1.26 -0.96 118.68 113.89 3bws s LEU 429 Ca 0.62 1.26 -0.14 0.00 0.69 0.00 0.00 54.13 56.56 3bws s LEU 429 Cb -0.21 2.02 0.02 0.00 -0.43 0.00 0.00 46.19 47.59 3bws s LEU 429 CO 0.26 -0.22 0.32 -0.62 -0.29 0.00 0.00 176.35 175.81 3bws s ASP 430 N 1.07 -0.11 -0.03 3.68 2.15 -0.47 -4.67 116.67 118.29 3bws s ASP 430 Ca -0.06 -0.39 0.06 0.00 0.43 0.00 0.00 52.55 52.59 3bws s ASP 430 Cb -0.05 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 42.96 3bws s ASP 430 CO -0.10 -0.78 -0.21 0.54 -0.17 0.00 0.00 175.17 174.45 3bws s VAL 431 N -3.60 2.44 0.61 1.11 0.11 -1.26 -0.96 120.40 118.84 3bws s VAL 431 Ca 0.02 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 57.94 3bws s VAL 431 Cb 0.02 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.95 3bws s VAL 431 CO -0.10 0.58 1.14 -0.94 -3.33 0.00 0.00 175.10 172.45 3bws s SER 432 N -0.62 5.30 0.65 3.54 1.04 0.00 -4.81 113.70 118.80 3bws s SER 432 Ca 0.10 2.16 0.31 0.00 0.48 0.00 0.00 55.95 58.99 3bws s SER 432 Cb -0.10 -2.57 1.66 0.00 0.10 0.00 0.00 66.02 65.10 3bws s SER 432 CO -0.00 -1.51 1.96 -0.65 0.98 0.00 0.00 173.24 174.02 3bws h PRO 433 N 0.61 0.00 -0.52 4.02 0.11 -1.86 -0.84 132.00 133.53 3bws h PRO 433 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bws h PRO 433 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3bws h PRO 433 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3bws n ASP 434 N -3.11 4.80 0.00 -2.05 5.75 -1.26 -4.80 116.55 115.88 3bws n ASP 434 Ca -0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.07 3bws n ASP 434 Cb 0.40 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3bws n ASP 434 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bws n ASN 435 N 0.56 0.00 0.26 -1.12 3.02 -0.32 -4.88 115.26 112.79 3bws n ASN 435 Ca 0.25 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.65 3bws n ASN 435 Cb 0.97 -1.21 -0.08 0.00 -0.61 0.00 0.00 39.78 38.85 3bws n ASN 435 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3bws h ARG 436 N 0.66 -0.64 -6.15 3.52 2.43 -1.92 -3.42 114.38 108.87 3bws h ARG 436 Ca 0.00 0.04 -0.68 0.00 -0.81 0.00 0.00 59.98 58.53 3bws h ARG 436 Cb 0.00 0.15 -0.18 0.00 -0.42 0.00 0.00 29.97 29.52 3bws h ARG 436 CO 0.00 -0.35 -0.68 0.71 -1.51 0.00 0.00 179.97 178.14 3bws s TYR 437 N -5.24 2.97 -0.12 2.20 2.02 -1.26 -1.06 117.35 116.86 3bws s TYR 437 Ca -0.15 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3bws s TYR 437 Cb 0.03 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3bws s TYR 437 CO 0.56 0.37 -0.10 -1.17 -1.57 0.00 0.00 175.55 173.64 3bws s LEU 438 N -1.00 2.92 -0.03 -1.29 2.96 0.10 -0.82 118.68 121.52 3bws s LEU 438 Ca 0.14 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3bws s LEU 438 Cb -0.11 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3bws s LEU 438 CO 0.03 0.20 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.43 3bws s VAL 439 N 0.15 1.20 0.16 1.68 1.01 -0.13 -0.59 120.40 123.87 3bws s VAL 439 Ca -0.05 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.40 3bws s VAL 439 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3bws s VAL 439 CO 0.04 0.35 -0.19 0.27 0.00 0.00 0.00 175.10 175.57 3bws s ILE 440 N -0.07 1.84 -0.14 2.22 -5.25 -0.80 -1.37 121.20 117.63 3bws s ILE 440 Ca -0.00 -1.87 -0.05 0.00 -0.99 0.00 0.00 60.65 57.74 3bws s ILE 440 Cb -0.09 -1.82 -0.04 0.00 2.95 0.00 0.00 42.46 43.47 3bws s ILE 440 CO 0.01 -0.26 0.05 -0.94 -1.79 0.00 0.00 174.94 172.01 3bws s SER 441 N -2.55 5.62 -0.67 4.36 1.04 -0.14 -1.13 113.70 120.24 3bws s SER 441 Ca 0.15 0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.56 3bws s SER 441 Cb -0.06 -1.82 0.11 0.00 0.10 0.00 0.00 66.02 64.35 3bws s SER 441 CO 0.06 0.29 0.81 -1.81 0.98 0.00 0.00 173.24 173.57 3bws s ASP 442 N -0.34 6.29 0.20 7.02 1.01 -0.27 -0.82 116.67 129.76 3bws s ASP 442 Ca 0.09 -1.56 -0.10 0.00 0.71 0.00 0.00 52.55 51.69 3bws s ASP 442 Cb -0.12 -2.33 0.25 0.00 1.01 0.00 0.00 42.92 41.74 3bws s ASP 442 CO 0.02 -1.11 1.73 0.15 0.21 0.00 0.00 175.17 176.17 3bws h PHE 443 N 9.08 0.32 -0.02 4.23 3.57 -0.52 -1.16 116.94 132.45 3bws h PHE 443 Ca -0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3bws h PHE 443 Cb 1.07 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3bws h PHE 443 CO 0.92 0.07 -0.05 1.28 -2.23 0.00 0.00 178.31 178.29 3bws n LEU 444 N -5.03 1.82 -0.42 0.59 4.77 -0.90 -3.28 117.00 114.55 3bws n LEU 444 Ca 0.08 -0.60 0.11 0.00 -0.03 0.00 0.00 56.01 55.57 3bws n LEU 444 Cb 0.27 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 3bws n LEU 444 CO 0.21 0.31 0.36 0.47 -1.33 0.00 0.00 177.39 177.41 3bws n ASP 445 N 0.35 1.77 -3.70 -1.43 8.00 -0.49 -4.99 116.55 116.05 3bws n ASP 445 Ca 0.17 -1.35 -0.24 0.00 0.71 0.00 0.00 54.79 54.07 3bws n ASP 445 Cb 0.42 0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.98 3bws n ASP 445 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3bws n HIS 446 N -0.23 -1.91 -3.74 1.24 8.25 -0.89 -4.90 115.22 113.04 3bws n HIS 446 Ca 0.10 0.72 -0.08 0.00 -0.26 0.00 0.00 57.72 58.19 3bws n HIS 446 Cb 0.44 -3.99 -0.02 0.00 1.12 0.00 0.00 29.99 27.54 3bws n HIS 446 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3bws s GLN 447 N -5.95 1.58 0.25 -0.41 -2.07 -1.24 -0.80 119.66 111.02 3bws s GLN 447 Ca 0.17 -0.82 0.12 0.00 -1.82 0.00 0.00 55.36 53.01 3bws s GLN 447 Cb -0.05 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 3bws s GLN 447 CO 0.83 -0.72 -0.19 0.96 -1.32 0.00 0.00 175.29 174.86 3bws s ILE 448 N -3.78 2.56 -0.04 3.63 -4.36 0.12 -1.12 121.20 118.21 3bws s ILE 448 Ca 0.09 -2.24 0.07 0.00 -0.26 0.00 0.00 60.65 58.30 3bws s ILE 448 Cb -0.04 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 3bws s ILE 448 CO 0.02 -0.31 -0.25 -0.13 0.24 0.00 0.00 174.94 174.50 3bws s ARG 449 N -3.28 2.39 -0.14 0.37 0.52 -0.28 -2.17 118.95 116.36 3bws s ARG 449 Ca 0.28 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3bws s ARG 449 Cb -0.06 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 3bws s ARG 449 CO 0.14 0.45 -0.11 0.08 0.02 0.00 0.00 175.30 175.87 3bws s VAL 450 N -0.32 3.18 0.07 3.52 1.01 0.63 -1.91 120.40 126.57 3bws s VAL 450 Ca 0.01 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3bws s VAL 450 Cb -0.12 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3bws s VAL 450 CO 0.02 0.52 -0.19 -0.31 0.00 0.00 0.00 175.10 175.13 3bws s TYR 451 N 0.41 1.67 -0.13 5.22 2.02 0.24 0.29 117.35 127.06 3bws s TYR 451 Ca -0.09 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.21 3bws s TYR 451 Cb -0.16 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 3bws s TYR 451 CO 0.05 0.13 -0.12 0.50 -1.57 0.00 0.00 175.55 174.53 3bws s ARG 452 N -1.52 3.37 0.01 -0.62 3.52 0.90 -0.73 118.95 123.88 3bws s ARG 452 Ca 0.05 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.68 3bws s ARG 452 Cb -0.09 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 3bws s ARG 452 CO 0.03 0.24 1.02 0.50 -0.81 0.00 0.00 175.30 176.27 3bws s ARG 453 N 0.30 4.53 0.27 5.12 3.52 -0.22 -0.45 118.95 132.02 3bws s ARG 453 Ca -0.10 1.48 -0.30 0.00 -0.13 0.00 0.00 55.73 56.69 3bws s ARG 453 Cb -0.16 -3.44 -0.13 0.00 -1.56 0.00 0.00 34.95 29.66 3bws s ARG 453 CO 0.05 -0.10 1.37 -0.25 -0.81 0.00 0.00 175.30 175.56 3bws n ASP 454 N 3.94 2.74 0.00 -2.12 8.00 -0.28 -2.09 116.55 126.75 3bws n ASP 454 Ca 0.07 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3bws n ASP 454 Cb 0.50 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 3bws n ASP 454 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bws n GLY 455 N 1.75 0.79 0.00 0.44 0.00 -1.26 -5.07 105.19 101.83 3bws n GLY 455 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3bws n GLY 455 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01