#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbk n ASP 29 N 0.00 -1.60 -0.11 1.20 5.68 -1.26 -4.53 116.55 115.93 2wbk n ASP 29 Ca 0.00 -2.72 0.15 0.00 -0.50 0.00 0.00 54.79 51.72 2wbk n ASP 29 Cb 0.00 2.84 0.74 0.00 -1.14 0.00 0.00 41.12 43.56 2wbk n ASP 29 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2wbk n THR 30 N -0.54 0.00 -1.65 2.12 -2.24 -0.14 -4.89 114.28 106.93 2wbk n THR 30 Ca -0.02 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 2wbk n THR 30 Cb 0.56 -0.20 0.07 0.00 -2.10 0.00 0.00 70.33 68.66 2wbk n THR 30 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wbk s SER 31 N -2.25 4.70 -0.14 3.42 1.04 -1.26 -4.82 113.70 114.38 2wbk s SER 31 Ca 0.37 2.23 -0.01 0.00 0.48 0.00 0.00 55.95 59.02 2wbk s SER 31 Cb 0.21 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 2wbk s SER 31 CO 0.41 -1.92 -0.10 -0.70 0.98 0.00 0.00 173.24 171.92 2wbk s GLU 32 N -3.87 3.45 -0.16 4.02 2.12 0.61 -4.96 118.70 119.92 2wbk s GLU 32 Ca 0.72 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 55.37 2wbk s GLU 32 Cb -0.26 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 2wbk s GLU 32 CO 0.41 0.18 -0.02 0.08 -0.54 0.00 0.00 175.26 175.38 2wbk s VAL 33 N 0.45 4.00 -0.19 3.70 1.01 -1.26 -0.46 120.40 127.65 2wbk s VAL 33 Ca -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2wbk s VAL 33 Cb -0.15 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 2wbk s VAL 33 CO 0.04 0.48 -0.11 -0.32 0.00 0.00 0.00 175.10 175.20 2wbk s MET 34 N 0.43 3.27 -0.34 2.72 1.75 0.57 -4.98 119.30 122.72 2wbk s MET 34 Ca -0.03 -0.70 -0.23 0.00 -1.25 0.00 0.00 55.69 53.48 2wbk s MET 34 Cb -0.14 -2.79 0.01 0.00 2.84 0.00 0.00 34.83 34.75 2wbk s MET 34 CO 0.03 -0.09 0.77 -0.51 -0.65 0.00 0.00 175.02 174.57 2wbk s LEU 35 N 1.13 4.12 -1.35 4.11 1.43 -1.26 -0.79 118.68 126.07 2wbk s LEU 35 Ca 0.01 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 2wbk s LEU 35 Cb -0.14 -3.03 0.12 0.00 0.03 0.00 0.00 46.19 43.16 2wbk s LEU 35 CO -0.03 -0.68 2.01 0.18 0.23 0.00 0.00 176.35 178.06 2wbk n LEU 36 N 6.31 6.73 -0.37 1.79 4.77 -0.91 -4.56 117.00 130.76 2wbk n LEU 36 Ca 0.03 -4.44 0.05 0.00 -0.03 0.00 0.00 56.01 51.62 2wbk n LEU 36 Cb 0.48 -1.55 0.12 0.00 -2.33 0.00 0.00 43.42 40.14 2wbk n LEU 36 CO 0.52 1.27 0.59 -0.90 -1.33 0.00 0.00 177.39 177.54 2wbk n ASP 37 N 4.77 2.70 -4.13 -1.43 5.75 -1.26 -4.60 116.55 118.34 2wbk n ASP 37 Ca 0.45 -2.40 -0.11 0.00 -0.01 0.00 0.00 54.79 52.71 2wbk n ASP 37 Cb 0.37 -0.25 -0.09 0.00 -1.03 0.00 0.00 41.12 40.12 2wbk n ASP 37 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2wbk s THR 38 N -1.71 0.02 0.00 2.12 -4.23 -1.26 -4.59 115.64 105.99 2wbk s THR 38 Ca 0.21 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2wbk s THR 38 Cb 0.15 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2wbk s THR 38 CO 0.07 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2wbk n GLY 39 N -0.26 0.44 3.87 3.99 0.00 -1.26 -4.90 105.19 107.08 2wbk n GLY 39 Ca -0.01 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2wbk n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wbk s TRP 40 N -2.00 3.48 0.12 1.61 0.52 -1.26 -4.44 118.94 116.96 2wbk s TRP 40 Ca 0.00 0.81 0.03 0.00 0.02 0.00 0.00 56.10 56.96 2wbk s TRP 40 Cb 0.00 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2wbk s TRP 40 CO 0.00 0.36 -0.08 -1.21 0.02 0.00 0.00 176.95 176.03 2wbk s GLU 41 N -2.56 0.92 0.10 4.98 2.02 -0.35 -0.68 118.70 123.13 2wbk s GLU 41 Ca 0.43 -1.35 0.01 0.00 0.02 0.00 0.00 54.97 54.08 2wbk s GLU 41 Cb -0.12 -0.42 -0.04 0.00 0.10 0.00 0.00 34.13 33.65 2wbk s GLU 41 CO 0.21 0.03 -0.04 -0.59 0.02 0.00 0.00 175.26 174.90 2wbk s PHE 42 N -3.31 0.84 -0.18 1.61 -0.12 -0.29 -0.91 117.98 115.62 2wbk s PHE 42 Ca 0.13 -0.99 -0.18 0.00 -0.05 0.00 0.00 56.93 55.83 2wbk s PHE 42 Cb 0.03 -0.51 0.05 0.00 -0.63 0.00 0.00 43.02 41.96 2wbk s PHE 42 CO -0.02 -0.24 0.51 0.45 -0.05 0.00 0.00 175.22 175.87 2wbk s SER 43 N -3.03 -0.52 -0.07 1.98 0.15 -0.17 -2.06 113.70 109.98 2wbk s SER 43 Ca 0.13 0.97 -0.30 0.00 0.70 0.00 0.00 55.95 57.45 2wbk s SER 43 Cb 0.06 0.98 -0.05 0.00 -1.71 0.00 0.00 66.02 65.31 2wbk s SER 43 CO -0.04 -0.22 1.57 -1.58 1.20 0.00 0.00 173.24 174.17 2wbk s GLN 44 N 0.11 4.19 0.33 5.44 0.74 -1.26 0.05 119.66 129.27 2wbk s GLN 44 Ca -0.01 2.08 -0.29 0.00 0.05 0.00 0.00 55.36 57.19 2wbk s GLN 44 Cb -0.04 -3.92 -0.11 0.00 1.10 0.00 0.00 33.01 30.04 2wbk s GLN 44 CO 0.01 -0.81 1.54 0.45 -0.55 0.00 0.00 175.29 175.94 2wbk s SER 45 N 3.02 6.35 0.00 6.67 0.15 -0.33 -1.80 113.70 127.76 2wbk s SER 45 Ca 0.69 3.00 0.00 0.00 0.70 0.00 0.00 55.95 60.35 2wbk s SER 45 Cb -0.31 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 2wbk s SER 45 CO 0.27 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2wbk n GLY 46 N 1.34 2.90 0.08 9.45 0.00 -1.26 -4.83 105.19 112.88 2wbk n GLY 46 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2wbk n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wbk n THR 47 N -2.00 0.78 -0.98 2.61 -2.24 -0.75 -4.97 114.28 106.73 2wbk n THR 47 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2wbk n THR 47 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2wbk n THR 47 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wbk n GLU 48 N -2.66 -1.69 -3.41 -0.78 1.02 -1.26 -4.97 120.64 106.89 2wbk n GLU 48 Ca -0.10 0.42 -0.39 0.00 -0.02 0.00 0.00 57.16 57.08 2wbk n GLU 48 Cb 0.75 -4.74 -0.09 0.00 -0.02 0.00 0.00 31.44 27.34 2wbk n GLU 48 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2wbk s LYS 49 N -1.73 4.02 -0.11 3.49 2.20 -1.26 -5.08 119.74 121.28 2wbk s LYS 49 Ca 0.00 0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2wbk s LYS 49 Cb 0.00 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2wbk s LYS 49 CO 0.00 -0.24 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.13 2wbk s TRP 50 N 1.97 3.02 0.06 4.03 0.52 -1.26 -4.29 118.94 122.98 2wbk s TRP 50 Ca 0.14 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.20 2wbk s TRP 50 Cb -0.16 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 2wbk s TRP 50 CO 0.10 0.21 -0.05 -1.64 0.02 0.00 0.00 176.95 175.59 2wbk s MET 51 N -0.34 0.62 0.56 4.98 -1.94 -0.87 -4.94 119.30 117.37 2wbk s MET 51 Ca 0.06 -1.10 -0.21 0.00 -1.71 0.00 0.00 55.69 52.72 2wbk s MET 51 Cb -0.12 0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.68 2wbk s MET 51 CO 0.02 -0.05 1.34 -2.14 -0.01 0.00 0.00 175.02 174.18 2wbk s PRO 52 N -3.23 3.07 0.14 2.03 0.02 -1.26 -1.14 135.00 134.64 2wbk s PRO 52 Ca 0.03 2.19 0.06 0.00 0.02 0.00 0.00 61.00 63.30 2wbk s PRO 52 Cb 0.02 -2.20 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 2wbk s PRO 52 CO -0.06 -1.23 -0.14 0.00 -0.33 0.00 0.00 177.00 175.24 2wbk s ALA 53 N -1.33 1.65 -0.19 -1.55 0.00 0.14 -4.71 121.76 115.77 2wbk s ALA 53 Ca 0.73 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2wbk s ALA 53 Cb -0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2wbk s ALA 53 CO 0.46 0.10 -0.07 0.99 0.00 0.00 0.00 175.76 177.23 2wbk s THR 54 N -2.37 3.24 -0.07 0.00 2.01 -1.26 -4.38 115.64 112.80 2wbk s THR 54 Ca 0.13 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.61 2wbk s THR 54 Cb -0.04 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.04 2wbk s THR 54 CO 0.04 0.46 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.57 2wbk s VAL 55 N 1.12 1.52 0.51 3.82 1.01 -1.26 -2.69 120.40 124.42 2wbk s VAL 55 Ca 0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2wbk s VAL 55 Cb -0.15 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 2wbk s VAL 55 CO -0.01 0.44 1.35 -2.65 0.00 0.00 0.00 175.10 174.23 2wbk n PRO 56 N 3.53 1.85 -1.61 2.72 -0.02 -1.26 -4.67 135.00 135.54 2wbk n PRO 56 Ca -0.20 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2wbk n PRO 56 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2wbk n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wbk n GLY 57 N 0.74 0.67 3.18 -1.23 0.00 -0.65 -4.96 105.19 102.93 2wbk n GLY 57 Ca 0.09 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 2wbk n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wbk s THR 58 N -2.14 0.74 0.16 2.61 -4.23 -1.26 -3.51 115.64 108.02 2wbk s THR 58 Ca 0.00 -1.92 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 2wbk s THR 58 Cb 0.00 -1.66 0.04 0.00 1.34 0.00 0.00 72.50 72.22 2wbk s THR 58 CO 0.00 -0.84 1.75 0.58 -0.54 0.00 0.00 174.62 175.57 2wbk h VAL 59 N 3.01 0.87 -0.30 2.29 2.07 -1.80 -1.55 116.25 120.83 2wbk h VAL 59 Ca -0.35 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2wbk h VAL 59 Cb 1.17 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2wbk h VAL 59 CO 0.64 0.05 0.10 0.45 0.02 0.00 0.00 177.57 178.83 2wbk h HIS 60 N 0.29 0.17 -0.60 1.57 3.86 -1.97 -0.92 115.15 117.55 2wbk h HIS 60 Ca 0.18 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 2wbk h HIS 60 Cb 0.17 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 2wbk h HIS 60 CO -0.15 0.07 0.12 0.37 0.86 0.00 0.00 177.93 179.20 2wbk h GLN 61 N 0.23 0.96 -0.61 2.45 5.75 -1.91 0.12 115.11 122.10 2wbk h GLN 61 Ca 0.14 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 2wbk h GLN 61 Cb 0.11 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 2wbk h GLN 61 CO -0.15 0.87 0.23 -0.44 -2.65 0.00 0.00 178.83 176.70 2wbk h ASP 62 N 0.91 0.86 0.01 -0.69 3.32 -0.71 0.10 116.42 120.21 2wbk h ASP 62 Ca 0.19 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wbk h ASP 62 Cb 0.36 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2wbk h ASP 62 CO 0.00 0.81 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.26 2wbk h LEU 63 N 0.86 -0.01 -0.79 1.55 3.38 -0.97 -3.01 115.31 116.32 2wbk h LEU 63 Ca 0.20 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2wbk h LEU 63 Cb 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 2wbk h LEU 63 CO -0.01 0.11 0.39 0.40 0.09 0.00 0.00 178.44 179.42 2wbk h ILE 64 N -0.12 0.77 0.00 1.22 2.04 -0.44 0.20 117.51 121.18 2wbk h ILE 64 Ca -0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2wbk h ILE 64 Cb 0.12 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2wbk h ILE 64 CO 0.00 0.11 0.00 -1.54 0.00 0.00 0.00 178.15 176.72 2wbk n SER 65 N -4.88 0.44 -0.94 1.72 3.41 0.32 -0.99 113.62 112.71 2wbk n SER 65 Ca 0.14 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 2wbk n SER 65 Cb 0.37 -0.69 0.23 0.00 -0.26 0.00 0.00 64.21 63.85 2wbk n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wbk n HIS 66 N -1.97 0.77 -2.26 7.33 8.25 -0.75 -4.97 115.22 121.62 2wbk n HIS 66 Ca 0.03 -0.57 -0.17 0.00 -0.26 0.00 0.00 57.72 56.75 2wbk n HIS 66 Cb 0.25 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 2wbk n HIS 66 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2wbk n GLU 67 N 0.65 -1.38 0.00 -0.41 1.02 -0.16 -4.86 120.64 115.50 2wbk n GLU 67 Ca 0.17 0.87 0.12 0.00 -0.02 0.00 0.00 57.16 58.30 2wbk n GLU 67 Cb 0.60 -5.32 0.18 0.00 -0.02 0.00 0.00 31.44 26.87 2wbk n GLU 67 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wbk n LEU 68 N -2.46 0.85 -4.12 -4.62 4.77 0.65 -4.79 117.00 107.28 2wbk n LEU 68 Ca -0.20 -0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 55.36 2wbk n LEU 68 Cb 0.65 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 2wbk n LEU 68 CO 0.24 0.19 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.28 2wbk s LEU 69 N -2.84 2.16 1.04 2.23 1.43 -1.21 -4.91 118.68 116.58 2wbk s LEU 69 Ca 0.14 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 2wbk s LEU 69 Cb 0.18 -0.54 0.21 0.00 0.03 0.00 0.00 46.19 46.07 2wbk s LEU 69 CO 0.68 0.01 1.16 -2.16 0.23 0.00 0.00 176.35 176.28 2wbk s PRO 70 N -1.09 0.11 -0.17 1.29 0.04 -1.26 -4.54 135.00 129.37 2wbk s PRO 70 Ca 0.00 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 60.80 2wbk s PRO 70 Cb -0.08 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2wbk s PRO 70 CO 0.01 -2.84 2.09 1.21 0.04 0.00 0.00 177.00 177.51 2wbk s ASN 71 N -4.10 5.76 0.48 6.66 2.47 -1.26 -4.84 114.94 120.11 2wbk s ASN 71 Ca 0.69 1.99 0.21 0.00 0.42 0.00 0.00 52.86 56.16 2wbk s ASN 71 Cb -0.11 -2.52 1.23 0.00 -1.45 0.00 0.00 41.25 38.40 2wbk s ASN 71 CO 0.55 -1.70 2.03 1.55 -3.72 0.00 0.00 177.10 175.80 2wbk h PRO 72 N 13.66 0.00 0.00 0.43 0.13 -1.91 -2.04 132.00 142.27 2wbk h PRO 72 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2wbk h PRO 72 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2wbk h PRO 72 CO 0.97 0.16 -0.31 1.19 -0.23 0.00 0.00 178.00 179.77 2wbk n PHE 73 N -3.95 0.17 -3.06 1.56 3.72 -1.26 -3.90 117.46 110.74 2wbk n PHE 73 Ca -0.02 0.05 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 2wbk n PHE 73 Cb 0.25 -0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 38.28 2wbk n PHE 73 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2wbk s TYR 74 N -3.04 3.66 0.00 1.38 5.04 -0.77 -4.69 117.35 118.94 2wbk s TYR 74 Ca 0.11 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 2wbk s TYR 74 Cb 0.17 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.72 2wbk s TYR 74 CO 0.64 0.22 0.00 0.41 -1.34 0.00 0.00 175.55 175.48 2wbk n GLY 75 N 2.67 2.86 1.92 8.97 0.00 -0.26 -0.88 105.19 120.46 2wbk n GLY 75 Ca -0.03 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.78 2wbk n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wbk n MET 76 N 13.56 4.59 0.16 1.61 2.81 -1.26 -4.70 117.12 133.89 2wbk n MET 76 Ca 0.00 -3.10 0.12 0.00 -1.81 0.00 0.00 57.70 52.91 2wbk n MET 76 Cb 0.00 -2.25 0.56 0.00 -0.71 0.00 0.00 33.22 30.81 2wbk n MET 76 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2wbk h ASN 77 N 3.64 0.00 -0.47 7.83 2.35 -1.26 -3.25 115.58 124.42 2wbk h ASN 77 Ca 0.07 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.90 2wbk h ASN 77 Cb 2.07 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 40.37 2wbk h ASN 77 CO 0.55 0.00 0.09 -0.08 -1.65 0.00 0.00 177.43 176.34 2wbk h GLU 78 N 0.00 0.21 -0.59 0.81 4.81 -1.81 -0.90 114.58 117.11 2wbk h GLU 78 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2wbk h GLU 78 Cb 0.27 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2wbk h GLU 78 CO 0.00 0.14 0.39 -0.22 -0.73 0.00 0.00 179.01 178.59 2wbk h LYS 79 N 0.22 0.66 0.00 1.92 1.63 -1.94 -2.72 116.57 116.34 2wbk h LYS 79 Ca 0.24 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2wbk h LYS 79 Cb 0.31 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2wbk h LYS 79 CO -0.31 0.43 0.00 1.63 -3.45 0.00 0.00 179.45 177.75 2wbk n LYS 80 N -4.47 0.08 0.00 1.90 5.02 -0.36 -3.25 118.16 117.09 2wbk n LYS 80 Ca 0.07 0.15 0.07 0.00 -2.02 0.00 0.00 58.31 56.58 2wbk n LYS 80 Cb 0.15 -1.61 0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2wbk n LYS 80 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2wbk n ILE 81 N -1.76 0.00 0.24 -0.18 -5.35 -1.03 -4.56 119.36 106.72 2wbk n ILE 81 Ca 0.05 -0.44 0.07 0.00 -0.27 0.00 0.00 62.75 62.17 2wbk n ILE 81 Cb 0.31 1.24 0.59 0.00 -1.74 0.00 0.00 39.64 40.04 2wbk n ILE 81 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wbk h GLN 82 N 2.25 0.00 -0.32 6.28 1.08 -1.59 -2.90 115.11 119.90 2wbk h GLN 82 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 2wbk h GLN 82 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2wbk h GLN 82 CO 0.00 0.11 0.33 0.11 -0.95 0.00 0.00 178.83 178.43 2wbk h TRP 83 N 0.00 0.00 -0.19 2.96 5.08 -1.82 -2.62 115.95 119.36 2wbk h TRP 83 Ca -0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 2wbk h TRP 83 Cb 0.20 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.35 2wbk h TRP 83 CO 0.00 0.00 -0.16 0.28 -1.28 0.00 0.00 178.44 177.28 2wbk h VAL 84 N 0.00 1.21 0.00 0.12 2.07 -1.88 -2.54 116.25 115.24 2wbk h VAL 84 Ca 0.15 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2wbk h VAL 84 Cb 0.81 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2wbk h VAL 84 CO -0.00 0.30 0.00 -1.84 0.02 0.00 0.00 177.57 176.04 2wbk n GLU 85 N -4.22 0.16 0.00 1.57 0.28 -0.99 -2.50 120.64 114.95 2wbk n GLU 85 Ca -0.00 0.37 0.12 0.00 -0.16 0.00 0.00 57.16 57.48 2wbk n GLU 85 Cb 0.31 -1.79 0.15 0.00 1.43 0.00 0.00 31.44 31.54 2wbk n GLU 85 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2wbk n ASN 86 N -2.09 1.20 -4.94 -1.84 5.03 -0.95 -4.36 115.26 107.31 2wbk n ASN 86 Ca 0.03 -0.96 -0.22 0.00 0.87 0.00 0.00 54.58 54.30 2wbk n ASN 86 Cb 0.23 0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 39.39 2wbk n ASN 86 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2wbk s GLU 87 N -2.69 3.34 0.18 3.52 0.41 -1.04 -4.90 118.70 117.52 2wbk s GLU 87 Ca 0.17 -0.78 -0.02 0.00 -0.41 0.00 0.00 54.97 53.92 2wbk s GLU 87 Cb 0.18 -2.84 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 2wbk s GLU 87 CO 0.64 0.44 0.38 -0.51 -0.49 0.00 0.00 175.26 175.72 2wbk s ASP 88 N -3.81 6.41 -0.01 -0.19 1.01 -1.26 -4.13 116.67 114.70 2wbk s ASP 88 Ca 0.34 0.45 0.02 0.00 0.71 0.00 0.00 52.55 54.07 2wbk s ASP 88 Cb -0.09 -2.03 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 2wbk s ASP 88 CO 0.28 -0.01 -0.08 0.26 0.21 0.00 0.00 175.17 175.84 2wbk s TRP 89 N -1.79 0.70 0.12 4.23 0.52 -0.76 -1.18 118.94 120.77 2wbk s TRP 89 Ca 0.39 -0.14 0.09 0.00 0.02 0.00 0.00 56.10 56.46 2wbk s TRP 89 Cb -0.11 -0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.70 2wbk s TRP 89 CO 0.28 -0.03 -0.20 -1.21 0.02 0.00 0.00 176.95 175.81 2wbk s GLU 90 N -0.10 1.72 0.03 4.98 2.02 0.11 -0.20 118.70 127.25 2wbk s GLU 90 Ca 0.02 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.83 2wbk s GLU 90 Cb -0.04 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 2wbk s GLU 90 CO -0.00 0.48 -0.07 0.71 0.02 0.00 0.00 175.26 176.39 2wbk s TYR 91 N -1.11 0.64 0.02 1.61 2.02 0.15 -0.99 117.35 119.69 2wbk s TYR 91 Ca 0.17 -0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.42 2wbk s TYR 91 Cb -0.10 -0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.07 2wbk s TYR 91 CO 0.09 -0.05 0.22 -0.98 -1.57 0.00 0.00 175.55 173.26 2wbk s ARG 92 N -1.02 0.66 0.23 -0.62 1.70 -0.09 0.10 118.95 119.90 2wbk s ARG 92 Ca -0.05 -0.49 -0.08 0.00 -0.47 0.00 0.00 55.73 54.64 2wbk s ARG 92 Cb -0.07 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2wbk s ARG 92 CO 0.00 -0.19 0.34 -0.08 -1.08 0.00 0.00 175.30 174.30 2wbk s THR 93 N -2.09 0.00 0.07 4.99 -1.32 0.52 -1.21 115.64 116.60 2wbk s THR 93 Ca -0.09 -1.63 0.05 0.00 -1.21 0.00 0.00 61.69 58.81 2wbk s THR 93 Cb -0.03 -2.30 -0.03 0.00 -1.51 0.00 0.00 72.50 68.63 2wbk s THR 93 CO -0.01 -0.01 -0.13 -0.44 -2.21 0.00 0.00 174.62 171.82 2wbk s SER 94 N -3.07 1.58 0.10 8.08 0.01 -1.26 -0.67 113.70 118.46 2wbk s SER 94 Ca 0.28 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 56.76 2wbk s SER 94 Cb 0.02 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.26 2wbk s SER 94 CO 0.10 -0.09 0.45 0.72 0.41 0.00 0.00 173.24 174.83 2wbk s PHE 95 N -1.28 -0.30 -0.11 2.43 -0.12 -0.88 -4.96 117.98 112.77 2wbk s PHE 95 Ca -0.03 0.12 -0.09 0.00 -0.05 0.00 0.00 56.93 56.87 2wbk s PHE 95 Cb -0.10 0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2wbk s PHE 95 CO 0.02 -0.68 0.20 0.42 -0.05 0.00 0.00 175.22 175.13 2wbk s ILE 96 N -3.28 5.39 -0.11 -4.49 -1.09 -1.26 -0.60 121.20 115.76 2wbk s ILE 96 Ca -0.00 0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.81 2wbk s ILE 96 Cb 0.01 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2wbk s ILE 96 CO -0.08 0.57 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.27 2wbk s VAL 97 N -0.71 2.08 0.78 2.92 1.01 -0.27 -4.96 120.40 121.25 2wbk s VAL 97 Ca 0.16 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2wbk s VAL 97 Cb -0.13 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.53 2wbk s VAL 97 CO 0.05 0.56 1.13 -0.94 0.00 0.00 0.00 175.10 175.89 2wbk s SER 98 N 0.48 4.55 0.12 3.32 1.04 -1.26 -0.52 113.70 121.42 2wbk s SER 98 Ca -0.15 0.63 -0.20 0.00 0.48 0.00 0.00 55.95 56.71 2wbk s SER 98 Cb -0.17 -1.16 -0.05 0.00 0.10 0.00 0.00 66.02 64.74 2wbk s SER 98 CO 0.06 -1.84 1.75 -0.08 0.98 0.00 0.00 173.24 174.11 2wbk h GLU 99 N -0.92 0.15 -0.09 4.02 4.81 -1.98 -0.98 114.58 119.59 2wbk h GLU 99 Ca -0.45 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 2wbk h GLU 99 Cb 1.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2wbk h GLU 99 CO 0.62 0.10 -0.17 1.49 -0.73 0.00 0.00 179.01 180.33 2wbk h GLU 100 N 0.16 0.15 -0.41 1.92 4.81 -1.98 -1.96 114.58 117.27 2wbk h GLU 100 Ca 0.08 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 2wbk h GLU 100 Cb 0.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2wbk h GLU 100 CO -0.08 0.32 -0.30 1.96 -0.73 0.00 0.00 179.01 180.18 2wbk h GLN 101 N 0.14 0.91 0.00 1.92 4.20 -1.83 -2.76 115.11 117.69 2wbk h GLN 101 Ca 0.03 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.25 2wbk h GLN 101 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2wbk h GLN 101 CO 0.02 1.08 -0.27 1.25 -0.67 0.00 0.00 178.83 180.25 2wbk h LEU 102 N 0.77 0.00 -0.09 1.46 5.85 -0.72 -2.47 115.31 120.11 2wbk h LEU 102 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wbk h LEU 102 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2wbk h LEU 102 CO 0.08 0.27 -0.13 0.59 -0.34 0.00 0.00 178.44 178.91 2wbk n ASN 103 N -3.52 0.28 -4.57 1.25 3.02 -0.78 -4.89 115.26 106.05 2wbk n ASN 103 Ca -0.00 -0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.06 2wbk n ASN 103 Cb 0.43 -0.17 0.12 0.00 -0.61 0.00 0.00 39.78 39.55 2wbk n ASN 103 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wbk n ARG 104 N -1.25 0.02 -0.23 3.52 5.12 -0.93 -4.91 116.66 118.00 2wbk n ARG 104 Ca 0.11 0.07 -0.06 0.00 -1.93 0.00 0.00 57.85 56.04 2wbk n ARG 104 Cb 0.30 -2.15 0.05 0.00 -1.16 0.00 0.00 32.46 29.49 2wbk n ARG 104 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2wbk h ASP 105 N -1.06 0.75 -4.65 0.55 3.32 -1.84 -3.45 116.42 110.04 2wbk h ASP 105 Ca -0.45 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.31 2wbk h ASP 105 Cb 1.30 -0.19 -0.19 0.00 0.22 0.00 0.00 39.33 40.48 2wbk h ASP 105 CO 0.42 0.54 -0.72 -0.83 -1.72 0.00 0.00 179.24 176.93 2wbk s GLY 106 N -2.79 0.65 -0.09 2.75 0.00 -0.84 -4.89 107.32 102.10 2wbk s GLY 106 Ca -0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 2wbk s GLY 106 CO 0.76 -1.10 0.19 -0.42 0.00 0.00 0.00 173.10 172.54 2wbk s ILE 107 N -2.26 -0.24 0.04 0.90 1.01 -1.26 -1.97 121.20 117.42 2wbk s ILE 107 Ca -0.00 0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.99 2wbk s ILE 107 Cb -0.04 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 2wbk s ILE 107 CO -0.01 0.12 -0.16 -1.10 0.00 0.00 0.00 174.94 173.78 2wbk s GLN 108 N 2.01 2.13 -0.20 2.79 -0.21 -0.39 -0.33 119.66 125.46 2wbk s GLN 108 Ca -0.01 -0.95 -0.02 0.00 0.02 0.00 0.00 55.36 54.39 2wbk s GLN 108 Cb -0.12 -2.23 -0.00 0.00 1.00 0.00 0.00 33.01 31.66 2wbk s GLN 108 CO -0.07 0.55 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.39 2wbk s LEU 109 N -1.47 2.71 -0.17 2.90 2.96 0.91 -0.76 118.68 125.77 2wbk s LEU 109 Ca 0.15 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2wbk s LEU 109 Cb -0.11 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 2wbk s LEU 109 CO 0.06 0.02 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.34 2wbk s ILE 110 N 1.23 2.78 -0.30 6.68 1.01 0.18 0.33 121.20 133.11 2wbk s ILE 110 Ca 0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 2wbk s ILE 110 Cb -0.14 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.14 2wbk s ILE 110 CO -0.04 0.50 0.09 -0.36 0.00 0.00 0.00 174.94 175.14 2wbk s PHE 111 N 0.95 3.16 -0.63 3.97 0.08 0.81 -1.19 117.98 125.13 2wbk s PHE 111 Ca -0.02 -0.96 0.26 0.00 0.12 0.00 0.00 56.93 56.32 2wbk s PHE 111 Cb -0.15 -2.27 0.81 0.00 -0.57 0.00 0.00 43.02 40.84 2wbk s PHE 111 CO -0.02 -0.58 1.76 0.93 -0.10 0.00 0.00 175.22 177.21 2wbk h GLU 112 N 8.25 0.00 -1.20 0.44 5.08 -1.51 0.75 114.58 126.39 2wbk h GLU 112 Ca -0.31 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2wbk h GLU 112 Cb 1.12 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.10 2wbk h GLU 112 CO 0.61 0.00 0.42 0.20 -1.00 0.00 0.00 179.01 179.23 2wbk s GLY 113 N -3.66 0.08 -0.10 -3.84 0.00 -1.26 -4.16 107.32 94.39 2wbk s GLY 113 Ca 0.09 3.28 0.01 0.00 0.00 0.00 0.00 44.72 48.10 2wbk s GLY 113 CO 0.57 2.86 -0.12 1.08 0.00 0.00 0.00 173.10 177.48 2wbk s LEU 114 N 1.64 1.56 -0.42 0.66 1.43 -1.26 -2.45 118.68 119.84 2wbk s LEU 114 Ca -0.06 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2wbk s LEU 114 Cb -0.04 -0.95 0.11 0.00 0.03 0.00 0.00 46.19 45.35 2wbk s LEU 114 CO -0.15 -0.02 0.20 -0.62 0.23 0.00 0.00 176.35 175.99 2wbk s ASP 115 N 1.09 5.12 0.25 2.29 2.15 -0.52 -3.66 116.67 123.39 2wbk s ASP 115 Ca -0.06 -2.17 0.00 0.00 0.43 0.00 0.00 52.55 50.75 2wbk s ASP 115 Cb -0.14 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 2wbk s ASP 115 CO -0.02 -0.48 0.00 0.41 -0.17 0.00 0.00 175.17 174.91 2wbk n THR 116 N 4.37 0.00 -2.84 1.71 -1.04 -1.26 -0.39 114.28 114.82 2wbk n THR 116 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2wbk n THR 116 Cb 0.41 -0.48 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 2wbk n THR 116 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2wbk s TYR 117 N -2.00 2.78 -0.08 -1.42 2.02 -1.26 -3.33 117.35 114.05 2wbk s TYR 117 Ca 0.00 -0.80 0.01 0.00 -0.37 0.00 0.00 57.07 55.90 2wbk s TYR 117 Cb 0.00 -4.34 0.02 0.00 -0.40 0.00 0.00 41.96 37.24 2wbk s TYR 117 CO 0.00 -1.65 -0.09 0.00 -1.57 0.00 0.00 175.55 172.25 2wbk s ALA 118 N 3.80 1.18 -0.20 3.71 0.00 -1.05 -0.87 121.76 128.33 2wbk s ALA 118 Ca 0.28 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 2wbk s ALA 118 Cb -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2wbk s ALA 118 CO 0.03 -0.14 0.34 -0.51 0.00 0.00 0.00 175.76 175.47 2wbk s ASP 119 N 1.18 6.38 -0.23 0.00 1.01 0.01 -0.37 116.67 124.65 2wbk s ASP 119 Ca -0.05 0.44 -0.05 0.00 0.71 0.00 0.00 52.55 53.60 2wbk s ASP 119 Cb -0.14 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 2wbk s ASP 119 CO -0.02 -0.02 -0.01 -0.69 0.21 0.00 0.00 175.17 174.64 2wbk s VAL 120 N 1.12 3.59 -0.08 -1.27 1.01 0.20 -1.09 120.40 123.89 2wbk s VAL 120 Ca 0.16 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2wbk s VAL 120 Cb -0.14 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2wbk s VAL 120 CO 0.07 0.39 -0.17 -0.31 0.00 0.00 0.00 175.10 175.07 2wbk s TYR 121 N 1.51 2.65 -0.07 5.22 2.02 0.10 -0.17 117.35 128.61 2wbk s TYR 121 Ca 0.06 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2wbk s TYR 121 Cb -0.15 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2wbk s TYR 121 CO -0.02 -0.06 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.69 2wbk s LEU 122 N -0.22 1.09 -1.66 -1.29 2.96 0.38 -1.36 118.68 118.58 2wbk s LEU 122 Ca -0.00 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.65 2wbk s LEU 122 Cb -0.13 -0.55 0.09 0.00 0.50 0.00 0.00 46.19 46.10 2wbk s LEU 122 CO 0.03 -0.10 0.32 0.59 -1.32 0.00 0.00 176.35 175.87 2wbk n ASN 123 N 4.55 -0.53 0.00 3.68 3.02 -0.39 -0.18 115.26 125.41 2wbk n ASN 123 Ca -0.17 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 2wbk n ASN 123 Cb 0.50 -1.88 0.00 0.00 -0.61 0.00 0.00 39.78 37.80 2wbk n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbk n GLY 124 N -1.90 1.63 3.72 7.41 0.00 -1.26 -5.03 105.19 109.76 2wbk n GLY 124 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2wbk n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wbk s SER 125 N -2.93 6.02 -0.58 1.61 0.15 0.75 -5.04 113.70 113.67 2wbk s SER 125 Ca 0.00 0.21 -0.28 0.00 0.70 0.00 0.00 55.95 56.58 2wbk s SER 125 Cb 0.00 -2.03 0.02 0.00 -1.71 0.00 0.00 66.02 62.30 2wbk s SER 125 CO 0.00 0.21 1.37 -0.22 1.20 0.00 0.00 173.24 175.81 2wbk s LEU 126 N 0.15 3.38 0.05 3.45 2.96 -1.26 -0.47 118.68 126.94 2wbk s LEU 126 Ca 0.07 0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.24 2wbk s LEU 126 Cb -0.12 -3.01 -0.23 0.00 0.50 0.00 0.00 46.19 43.33 2wbk s LEU 126 CO -0.00 -1.70 1.01 -0.07 -1.32 0.00 0.00 176.35 174.27 2wbk h LEU 127 N 12.95 0.06 -7.00 -0.68 3.38 -0.93 -3.48 115.31 119.61 2wbk h LEU 127 Ca -0.27 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2wbk h LEU 127 Cb 1.08 -0.02 -0.23 0.00 0.09 0.00 0.00 40.66 41.59 2wbk h LEU 127 CO 1.19 1.07 0.14 -0.22 0.09 0.00 0.00 178.44 180.71 2wbk s LEU 128 N -6.54 -0.80 -0.67 1.67 2.96 -1.20 -5.01 118.68 109.09 2wbk s LEU 128 Ca -0.02 1.33 -0.10 0.00 -0.22 0.00 0.00 54.13 55.11 2wbk s LEU 128 Cb 0.09 2.24 0.17 0.00 0.50 0.00 0.00 46.19 49.19 2wbk s LEU 128 CO 0.83 -0.21 0.56 -0.54 -1.32 0.00 0.00 176.35 175.66 2wbk s LYS 129 N 1.29 3.00 0.37 1.98 1.02 -1.26 -0.62 119.74 125.52 2wbk s LYS 129 Ca -0.07 -2.28 -0.24 0.00 0.02 0.00 0.00 55.97 53.39 2wbk s LYS 129 Cb -0.05 -4.10 -0.10 0.00 -0.52 0.00 0.00 37.83 33.06 2wbk s LYS 129 CO -0.15 -1.24 0.97 0.00 -0.92 0.00 0.00 175.35 174.01 2wbk s ALA 130 N 0.46 3.13 0.00 5.17 0.00 0.50 -4.92 121.76 126.11 2wbk s ALA 130 Ca 0.14 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.67 2wbk s ALA 130 Cb -0.18 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 19.84 2wbk s ALA 130 CO -0.05 0.09 0.91 -0.40 0.00 0.00 0.00 175.76 176.31 2wbk n ASP 131 N 0.09 -0.19 -3.34 0.00 5.75 -1.21 -2.52 116.55 115.12 2wbk n ASP 131 Ca 0.04 -1.74 -0.09 0.00 -0.01 0.00 0.00 54.79 52.99 2wbk n ASP 131 Cb 0.51 0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.55 2wbk n ASP 131 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2wbk s ASN 132 N -0.95 0.27 0.49 -1.12 3.84 -1.26 -4.52 114.94 111.69 2wbk s ASN 132 Ca 0.07 0.13 0.23 0.00 0.21 0.00 0.00 52.86 53.51 2wbk s ASN 132 Cb 0.08 1.12 1.28 0.00 -0.55 0.00 0.00 41.25 43.18 2wbk s ASN 132 CO -0.04 -0.31 1.93 -0.03 -2.79 0.00 0.00 177.10 175.87 2wbk h MET 133 N 8.18 0.16 -0.37 0.43 1.85 -1.28 -2.69 114.93 121.21 2wbk h MET 133 Ca -0.18 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.90 2wbk h MET 133 Cb 1.15 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.14 2wbk h MET 133 CO 0.27 0.11 0.00 1.19 -0.40 0.00 0.00 176.91 178.08 2wbk n PHE 134 N -4.40 0.49 -4.87 1.39 3.72 -1.26 -4.34 117.46 108.18 2wbk n PHE 134 Ca 0.15 -0.24 -0.33 0.00 -0.05 0.00 0.00 57.45 56.97 2wbk n PHE 134 Cb 0.69 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.09 2wbk n PHE 134 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wbk s VAL 135 N -1.51 2.94 0.09 -4.37 1.01 -1.01 -4.69 120.40 112.86 2wbk s VAL 135 Ca 0.29 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 2wbk s VAL 135 Cb 0.15 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 2wbk s VAL 135 CO 0.21 0.55 0.58 -0.83 0.00 0.00 0.00 175.10 175.61 2wbk s GLY 136 N -0.08 2.65 -0.10 4.51 0.00 -1.26 -4.42 107.32 108.62 2wbk s GLY 136 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.75 2wbk s GLY 136 CO 0.04 0.44 -0.17 -0.19 0.00 0.00 0.00 173.10 173.21 2wbk s TYR 137 N -1.18 2.69 -0.27 1.90 2.02 0.26 -4.96 117.35 117.80 2wbk s TYR 137 Ca 0.31 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2wbk s TYR 137 Cb -0.19 -1.75 0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2wbk s TYR 137 CO 0.19 -0.20 -0.04 0.99 -1.57 0.00 0.00 175.55 174.92 2wbk s THR 138 N 0.12 2.87 -0.15 -0.71 2.01 -1.26 -0.14 115.64 118.38 2wbk s THR 138 Ca -0.09 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 60.70 2wbk s THR 138 Cb -0.15 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.80 2wbk s THR 138 CO 0.05 0.06 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.13 2wbk s LEU 139 N 1.28 2.47 0.06 4.42 1.43 0.15 -4.92 118.68 123.57 2wbk s LEU 139 Ca -0.03 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.30 2wbk s LEU 139 Cb -0.18 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2wbk s LEU 139 CO -0.03 0.09 1.22 -2.16 0.23 0.00 0.00 176.35 175.70 2wbk s PRO 140 N 0.79 4.41 0.00 1.29 0.04 -1.26 -0.06 135.00 140.21 2wbk s PRO 140 Ca -0.06 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2wbk s PRO 140 Cb -0.15 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2wbk s PRO 140 CO 0.00 -0.29 0.57 1.33 0.04 0.00 0.00 177.00 178.65 2wbk n VAL 141 N 3.99 0.27 -0.24 -0.36 0.24 0.55 -4.87 118.33 117.91 2wbk n VAL 141 Ca 0.09 -0.31 0.03 0.00 -2.04 0.00 0.00 64.34 62.12 2wbk n VAL 141 Cb 0.46 1.00 0.16 0.00 -1.47 0.00 0.00 33.84 33.98 2wbk n VAL 141 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2wbk h LYS 142 N 0.00 0.40 0.00 7.34 3.64 -1.89 -1.92 116.57 124.14 2wbk h LYS 142 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wbk h LYS 142 Cb 0.73 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2wbk h LYS 142 CO 0.00 0.26 0.00 -1.13 -2.27 0.00 0.00 179.45 176.31 2wbk n SER 143 N -5.02 0.20 -0.02 4.20 3.41 -1.26 -2.99 113.62 112.15 2wbk n SER 143 Ca 0.12 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 2wbk n SER 143 Cb 0.37 -0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 63.58 2wbk n SER 143 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wbk n VAL 144 N -1.71 0.11 -2.22 -3.33 0.31 -0.76 -4.99 118.33 105.73 2wbk n VAL 144 Ca 0.04 -0.48 -0.33 0.00 -0.01 0.00 0.00 64.34 63.56 2wbk n VAL 144 Cb 0.25 -0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.18 2wbk n VAL 144 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wbk s LEU 145 N -4.46 3.63 0.08 7.52 1.43 -0.95 -4.75 118.68 121.18 2wbk s LEU 145 Ca -0.07 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.99 2wbk s LEU 145 Cb 0.12 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 2wbk s LEU 145 CO 0.82 -1.06 -0.19 -0.13 0.23 0.00 0.00 176.35 176.01 2wbk s ARG 146 N -3.72 1.13 0.21 1.70 0.52 -1.26 -5.03 118.95 112.49 2wbk s ARG 146 Ca 0.66 -1.04 -0.32 0.00 -0.52 0.00 0.00 55.73 54.51 2wbk s ARG 146 Cb -0.17 -1.30 -0.12 0.00 0.52 0.00 0.00 34.95 33.88 2wbk s ARG 146 CO 0.30 0.31 1.67 1.17 0.02 0.00 0.00 175.30 178.78 2wbk n LYS 147 N 1.38 2.62 0.00 3.54 4.81 -1.26 -4.41 118.16 124.84 2wbk n LYS 147 Ca -0.19 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2wbk n LYS 147 Cb 0.54 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.82 2wbk n LYS 147 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wbk n GLY 148 N 3.63 0.64 3.75 3.14 0.00 0.32 -4.92 105.19 111.76 2wbk n GLY 148 Ca 0.15 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 2wbk n GLY 148 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wbk s GLU 149 N 0.00 4.60 0.02 1.61 -1.05 -1.26 -1.12 118.70 121.50 2wbk s GLU 149 Ca 0.00 1.83 0.04 0.00 -0.15 0.00 0.00 54.97 56.69 2wbk s GLU 149 Cb 0.00 -3.20 -0.02 0.00 -0.44 0.00 0.00 34.13 30.47 2wbk s GLU 149 CO 0.00 0.14 -0.12 -0.80 0.95 0.00 0.00 175.26 175.42 2wbk s ASN 150 N -0.64 1.42 -0.11 0.83 0.01 0.23 -4.75 114.94 111.93 2wbk s ASN 150 Ca 0.46 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 2wbk s ASN 150 Cb -0.32 -0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.26 2wbk s ASN 150 CO 0.40 0.04 -0.12 -1.00 -1.51 0.00 0.00 177.10 174.91 2wbk s HIS 151 N -0.70 1.77 -0.18 2.20 3.76 -1.26 -2.06 115.29 118.82 2wbk s HIS 151 Ca 0.01 -0.84 -0.01 0.00 -0.15 0.00 0.00 55.06 54.07 2wbk s HIS 151 Cb -0.07 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.30 2wbk s HIS 151 CO 0.01 -0.47 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.12 2wbk s LEU 152 N 1.18 2.49 -0.02 0.89 2.96 0.15 -1.26 118.68 125.07 2wbk s LEU 152 Ca -0.04 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 2wbk s LEU 152 Cb -0.14 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2wbk s LEU 152 CO -0.04 0.03 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.57 2wbk s TYR 153 N 1.14 1.36 -0.08 5.38 1.51 -0.46 -0.36 117.35 125.84 2wbk s TYR 153 Ca 0.01 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2wbk s TYR 153 Cb -0.14 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.83 2wbk s TYR 153 CO -0.05 -0.07 -0.04 0.42 -1.11 0.00 0.00 175.55 174.70 2wbk s ILE 154 N -0.16 0.68 -0.27 2.71 1.01 0.11 0.03 121.20 125.31 2wbk s ILE 154 Ca 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 2wbk s ILE 154 Cb -0.08 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2wbk s ILE 154 CO 0.00 0.29 0.15 -0.47 0.00 0.00 0.00 174.94 174.92 2wbk s TYR 155 N 1.53 3.19 -0.46 3.97 5.04 -0.25 -0.68 117.35 129.69 2wbk s TYR 155 Ca -0.01 -0.03 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 2wbk s TYR 155 Cb -0.13 -2.33 0.08 0.00 0.35 0.00 0.00 41.96 39.93 2wbk s TYR 155 CO -0.04 -0.20 0.36 -0.06 -1.34 0.00 0.00 175.55 174.27 2wbk s PHE 156 N 1.67 3.28 0.35 4.97 0.08 0.71 -0.81 117.98 128.24 2wbk s PHE 156 Ca 0.07 -1.17 -0.28 0.00 0.12 0.00 0.00 56.93 55.67 2wbk s PHE 156 Cb -0.16 -3.17 -0.10 0.00 -0.57 0.00 0.00 43.02 39.03 2wbk s PHE 156 CO 0.08 -0.84 1.35 -1.01 -0.10 0.00 0.00 175.22 174.71 2wbk s HIS 157 N 1.56 2.91 0.25 0.36 3.76 -0.05 -1.84 115.29 122.24 2wbk s HIS 157 Ca 0.04 1.35 -0.31 0.00 -0.15 0.00 0.00 55.06 55.99 2wbk s HIS 157 Cb -0.24 -3.77 -0.11 0.00 1.11 0.00 0.00 32.58 29.56 2wbk s HIS 157 CO 0.05 -2.17 1.64 0.45 -0.85 0.00 0.00 174.74 173.85 2wbk s SER 158 N -0.42 6.39 0.00 1.40 0.15 -1.26 -4.42 113.70 115.54 2wbk s SER 158 Ca 0.51 2.90 0.30 0.00 0.70 0.00 0.00 55.95 60.35 2wbk s SER 158 Cb -0.41 -2.62 1.38 0.00 -1.71 0.00 0.00 66.02 62.66 2wbk s SER 158 CO 0.55 -0.93 1.99 -0.81 1.20 0.00 0.00 173.24 175.25 2wbk n PRO 159 N 2.96 0.23 -0.01 5.44 -0.04 -1.26 -0.90 135.00 141.41 2wbk n PRO 159 Ca 0.11 -0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2wbk n PRO 159 Cb 0.37 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2wbk n PRO 159 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2wbk h ILE 160 N 0.01 0.00 -0.70 0.52 1.08 -1.89 -3.14 117.51 113.38 2wbk h ILE 160 Ca 0.00 -0.68 0.15 0.00 -0.39 0.00 0.00 64.86 63.94 2wbk h ILE 160 Cb 0.39 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.03 2wbk h ILE 160 CO 0.00 0.00 0.16 -0.09 -0.69 0.00 0.00 178.15 177.53 2wbk h ARG 161 N -0.74 0.25 -0.39 2.37 2.43 -1.81 0.23 114.38 116.73 2wbk h ARG 161 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wbk h ARG 161 Cb 0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2wbk h ARG 161 CO 0.01 0.17 0.23 0.37 -1.51 0.00 0.00 179.97 179.24 2wbk h GLN 162 N 0.26 0.52 -0.01 0.20 5.75 -1.20 -3.16 115.11 117.47 2wbk h GLN 162 Ca 0.39 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.85 2wbk h GLN 162 Cb 0.64 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2wbk h GLN 162 CO -0.49 0.37 -0.46 0.25 -2.65 0.00 0.00 178.83 175.85 2wbk n THR 163 N -4.45 0.00 -0.27 2.39 -2.24 0.28 -4.46 114.28 105.52 2wbk n THR 163 Ca 0.03 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2wbk n THR 163 Cb 0.08 1.19 0.12 0.00 -2.10 0.00 0.00 70.33 69.62 2wbk n THR 163 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wbk h LEU 164 N 1.75 0.70 -1.04 3.22 3.38 -0.64 -1.18 115.31 121.51 2wbk h LEU 164 Ca 0.00 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2wbk h LEU 164 Cb 0.60 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2wbk h LEU 164 CO 0.00 0.45 -0.35 1.55 0.09 0.00 0.00 178.44 180.18 2wbk h PRO 165 N 0.83 0.25 -0.38 1.13 0.13 -1.78 -1.07 132.00 131.11 2wbk h PRO 165 Ca 0.34 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.35 2wbk h PRO 165 Cb 0.19 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 2wbk h PRO 165 CO -0.18 0.57 0.15 0.37 -0.23 0.00 0.00 178.00 178.67 2wbk h GLN 166 N 0.21 0.57 -0.60 0.86 4.15 -1.60 -0.54 115.11 118.16 2wbk h GLN 166 Ca 0.03 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2wbk h GLN 166 Cb 0.72 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 2wbk h GLN 166 CO 0.05 0.55 0.23 -0.92 -1.93 0.00 0.00 178.83 176.81 2wbk h TYR 167 N 0.46 0.93 -0.48 3.99 3.20 -1.17 -2.46 116.97 121.44 2wbk h TYR 167 Ca 0.13 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2wbk h TYR 167 Cb 0.20 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2wbk h TYR 167 CO 0.00 0.75 0.22 0.00 -1.64 0.00 0.00 178.16 177.50 2wbk h ALA 168 N 1.08 1.48 0.00 1.82 0.00 -0.73 -1.28 119.26 121.64 2wbk h ALA 168 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wbk h ALA 168 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wbk h ALA 168 CO -0.01 0.41 0.00 0.66 0.00 0.00 0.00 179.25 180.31 2wbk h SER 169 N 0.68 0.00 0.29 0.00 4.64 -0.69 -3.34 113.55 115.14 2wbk h SER 169 Ca 0.17 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.32 2wbk h SER 169 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2wbk h SER 169 CO -0.02 0.00 -0.70 -1.13 -0.87 0.00 0.00 176.83 174.11 2wbk h ASN 170 N 0.00 0.42 0.00 4.97 -1.24 -0.79 -3.47 115.58 115.47 2wbk h ASN 170 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.74 2wbk h ASN 170 Cb 0.49 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2wbk h ASN 170 CO 0.00 0.99 0.00 0.61 -1.29 0.00 0.00 177.43 177.74 2wbk n GLY 171 N 0.49 2.19 3.41 1.57 0.00 -1.25 -4.96 105.19 106.63 2wbk n GLY 171 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2wbk n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wbk s PHE 172 N -3.40 0.35 -0.23 1.61 -0.12 -1.26 -5.14 117.98 109.77 2wbk s PHE 172 Ca 0.00 -0.70 -0.10 0.00 -0.05 0.00 0.00 56.93 56.08 2wbk s PHE 172 Cb 0.00 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.38 2wbk s PHE 172 CO 0.00 -0.80 0.13 1.21 -0.05 0.00 0.00 175.22 175.72 2wbk s ASN 173 N -2.97 5.89 0.53 1.98 2.47 -1.26 -5.02 114.94 116.55 2wbk s ASN 173 Ca 0.18 0.05 -0.22 0.00 0.42 0.00 0.00 52.86 53.29 2wbk s ASN 173 Cb 0.02 -2.06 -0.05 0.00 -1.45 0.00 0.00 41.25 37.71 2wbk s ASN 173 CO 0.02 0.06 1.30 -0.31 -3.72 0.00 0.00 177.10 174.45 2wbk s TYR 174 N 1.07 2.45 -1.28 0.43 2.02 -1.26 -4.90 117.35 115.87 2wbk s TYR 174 Ca 0.06 1.43 -0.05 0.00 -0.37 0.00 0.00 57.07 58.14 2wbk s TYR 174 Cb -0.14 -3.67 0.15 0.00 -0.40 0.00 0.00 41.96 37.91 2wbk s TYR 174 CO 0.04 -2.48 2.29 -0.35 -1.57 0.00 0.00 175.55 173.48 2wbk n PRO 175 N -0.93 4.68 -3.28 -1.71 -0.04 -1.26 -4.72 135.00 127.74 2wbk n PRO 175 Ca 0.10 -3.63 -0.46 0.00 -0.04 0.00 0.00 63.50 59.47 2wbk n PRO 175 Cb 0.46 -2.62 -0.01 0.00 -0.04 0.00 0.00 33.50 31.29 2wbk n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wbk s ALA 176 N -1.52 4.22 0.38 0.55 0.00 -1.26 -4.79 121.76 119.34 2wbk s ALA 176 Ca 0.51 -3.44 0.37 0.00 0.00 0.00 0.00 51.96 49.41 2wbk s ALA 176 Cb 0.18 -3.60 1.82 0.00 0.00 0.00 0.00 23.12 21.51 2wbk s ALA 176 CO -0.09 -2.34 2.16 -0.44 0.00 0.00 0.00 175.76 175.05 2wbk h ASP 177 N 7.50 0.00 1.02 0.00 3.32 -1.88 -2.26 116.42 124.13 2wbk h ASP 177 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2wbk h ASP 177 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2wbk h ASP 177 CO 0.88 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 179.01 2wbk n ASN 178 N -3.17 0.09 -4.55 6.45 3.02 -1.26 -4.54 115.26 111.30 2wbk n ASN 178 Ca -0.01 0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 54.64 2wbk n ASN 178 Cb 0.20 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 2wbk n ASN 178 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wbk s ASP 179 N -3.17 6.13 -1.43 6.41 -1.08 -0.85 -3.43 116.67 119.25 2wbk s ASP 179 Ca 0.13 -0.53 -0.14 0.00 -0.52 0.00 0.00 52.55 51.49 2wbk s ASP 179 Cb 0.18 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 39.13 2wbk s ASP 179 CO 0.52 -1.84 2.17 1.41 0.52 0.00 0.00 175.17 177.94 2wbk n HIS 180 N 9.60 3.57 -3.57 -5.34 8.25 -0.28 -4.74 115.22 122.71 2wbk n HIS 180 Ca 0.09 -2.96 -0.17 0.00 -0.26 0.00 0.00 57.72 54.42 2wbk n HIS 180 Cb 0.49 -2.51 -0.07 0.00 1.12 0.00 0.00 29.99 29.02 2wbk n HIS 180 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2wbk s HIS 181 N 3.04 -0.62 0.28 4.41 5.04 -1.26 -4.99 115.29 121.17 2wbk s HIS 181 Ca 0.47 1.18 0.01 0.00 -1.54 0.00 0.00 55.06 55.18 2wbk s HIS 181 Cb 0.13 0.34 0.65 0.00 0.04 0.00 0.00 32.58 33.74 2wbk s HIS 181 CO -0.07 -0.53 1.67 1.49 -2.34 0.00 0.00 174.74 174.96 2wbk h GLU 182 N 3.56 0.27 -5.14 2.88 4.81 -2.01 -3.39 114.58 115.54 2wbk h GLU 182 Ca -0.28 -0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.32 2wbk h GLU 182 Cb 1.15 -0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.31 2wbk h GLU 182 CO 0.32 0.18 -0.54 0.15 -0.73 0.00 0.00 179.01 178.39 2wbk s LYS 183 N -5.95 4.00 -1.20 1.92 1.02 -1.26 -5.01 119.74 113.25 2wbk s LYS 183 Ca -0.12 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 2wbk s LYS 183 Cb 0.24 -3.40 0.19 0.00 -0.52 0.00 0.00 37.83 34.35 2wbk s LYS 183 CO 0.77 0.12 1.41 0.72 -0.92 0.00 0.00 175.35 177.45 2wbk n HIS 184 N 4.07 4.82 0.81 3.18 8.25 -1.26 -4.75 115.22 130.32 2wbk n HIS 184 Ca -0.16 -3.41 0.12 0.00 -0.26 0.00 0.00 57.72 54.02 2wbk n HIS 184 Cb 0.52 -2.06 0.27 0.00 1.12 0.00 0.00 29.99 29.84 2wbk n HIS 184 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wbk n LEU 185 N 4.84 0.53 -0.30 2.41 4.77 -1.26 -3.90 117.00 124.09 2wbk n LEU 185 Ca 0.34 0.18 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 2wbk n LEU 185 Cb 0.41 -0.26 0.24 0.00 -2.33 0.00 0.00 43.42 41.49 2wbk n LEU 185 CO 0.61 0.02 1.10 0.77 -1.33 0.00 0.00 177.39 178.56 2wbk h SER 186 N 0.00 0.52 0.43 -1.43 4.64 -1.93 -2.55 113.55 113.23 2wbk h SER 186 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2wbk h SER 186 Cb 0.61 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2wbk h SER 186 CO 0.00 0.20 0.00 -0.37 -0.87 0.00 0.00 176.83 175.79 2wbk h VAL 187 N 0.60 0.00 0.00 0.95 -1.51 -1.96 -1.71 116.25 112.63 2wbk h VAL 187 Ca 0.48 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 2wbk h VAL 187 Cb 0.72 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2wbk h VAL 187 CO -0.38 0.00 -0.16 -0.26 -1.23 0.00 0.00 177.57 175.54 2wbk h PHE 188 N 0.00 0.00 -3.77 5.19 0.04 -1.74 -3.41 116.94 113.26 2wbk h PHE 188 Ca 0.00 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.09 2wbk h PHE 188 Cb 0.22 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 38.12 2wbk h PHE 188 CO 0.00 0.00 -0.77 -1.12 -0.60 0.00 0.00 178.31 175.82 2wbk s SER 189 N -4.89 3.99 -1.07 2.17 0.01 -0.64 -5.04 113.70 108.23 2wbk s SER 189 Ca 0.09 -0.25 -0.21 0.00 1.31 0.00 0.00 55.95 56.88 2wbk s SER 189 Cb 0.11 -1.13 0.06 0.00 0.21 0.00 0.00 66.02 65.27 2wbk s SER 189 CO 0.64 0.28 1.47 -0.13 0.41 0.00 0.00 173.24 175.91 2wbk s ARG 190 N -0.31 3.68 -0.27 12.44 1.81 -1.26 -4.87 118.95 130.16 2wbk s ARG 190 Ca 0.03 -1.38 -0.25 0.00 -1.72 0.00 0.00 55.73 52.40 2wbk s ARG 190 Cb -0.13 -5.34 0.08 0.00 -0.45 0.00 0.00 34.95 29.11 2wbk s ARG 190 CO 0.03 -2.17 0.77 0.21 -0.68 0.00 0.00 175.30 173.46 2wbk s LYS 191 N 4.53 0.78 -0.47 3.54 2.20 -1.26 -1.35 119.74 127.71 2wbk s LYS 191 Ca 0.46 0.94 -0.43 0.00 -0.36 0.00 0.00 55.97 56.58 2wbk s LYS 191 Cb 0.00 0.38 -0.18 0.00 -1.51 0.00 0.00 37.83 36.52 2wbk s LYS 191 CO -0.06 -0.09 2.06 0.00 -0.36 0.00 0.00 175.35 176.89 2wbk n ALA 192 N 2.66 0.11 -0.23 3.13 0.00 -1.26 -4.82 120.51 120.09 2wbk n ALA 192 Ca -0.14 0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2wbk n ALA 192 Cb 0.55 -2.13 0.16 0.00 0.00 0.00 0.00 19.45 18.03 2wbk n ALA 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wbk h PRO 193 N 8.86 0.31 0.00 0.00 0.11 -1.70 -1.69 132.00 137.89 2wbk h PRO 193 Ca -0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2wbk h PRO 193 Cb 1.39 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2wbk h PRO 193 CO 1.06 0.21 0.03 0.10 -0.21 0.00 0.00 178.00 179.18 2wbk h TYR 194 N 0.32 0.00 0.00 0.65 -0.00 -1.10 -2.65 116.97 114.20 2wbk h TYR 194 Ca 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 59.07 2wbk h TYR 194 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.32 2wbk h TYR 194 CO -0.23 0.00 -0.16 0.66 -0.00 0.00 0.00 178.16 178.43 2wbk h SER 195 N 0.00 0.00 0.00 0.10 4.64 -1.59 0.21 113.55 116.91 2wbk h SER 195 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wbk h SER 195 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2wbk h SER 195 CO 0.00 0.16 0.00 -1.22 -0.87 0.00 0.00 176.83 174.90 2wbk n TYR 196 N -3.66 0.00 0.00 4.77 4.01 -1.00 -1.03 117.16 120.26 2wbk n TYR 196 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2wbk n TYR 196 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 2wbk n TYR 196 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wbk n GLY 197 N 0.77 2.89 3.82 2.72 0.00 0.06 -1.12 105.19 114.33 2wbk n GLY 197 Ca 0.15 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 2wbk n GLY 197 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2wbk s TRP 198 N -2.79 -0.02 -2.00 1.61 -0.11 -1.22 -4.36 118.94 110.06 2wbk s TRP 198 Ca 0.00 -0.46 0.08 0.00 1.22 0.00 0.00 56.10 56.93 2wbk s TRP 198 Cb 0.00 0.73 0.47 0.00 -1.50 0.00 0.00 33.47 33.17 2wbk s TRP 198 CO 0.00 -1.18 1.25 -0.40 -4.62 0.00 0.00 176.95 172.00 2wbk n ASP 199 N -0.94 0.00 -0.18 5.86 5.68 -1.26 -0.77 116.55 124.94 2wbk n ASP 199 Ca -0.06 -1.64 0.01 0.00 -0.50 0.00 0.00 54.79 52.61 2wbk n ASP 199 Cb 0.60 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.59 2wbk n ASP 199 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2wbk n TRP 200 N -0.63 0.00 -4.40 2.11 4.27 -1.26 -3.83 117.44 113.70 2wbk n TRP 200 Ca 0.06 -0.18 -0.25 0.00 -3.89 0.00 0.00 57.50 53.24 2wbk n TRP 200 Cb 0.03 -0.04 -0.11 0.00 -1.36 0.00 0.00 31.31 29.82 2wbk n TRP 200 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 2wbk s GLY 201 N -0.78 1.65 0.07 -1.67 0.00 0.05 -4.84 107.32 101.80 2wbk s GLY 201 Ca 0.03 -1.64 -0.13 0.00 0.00 0.00 0.00 44.72 42.99 2wbk s GLY 201 CO 0.00 -1.68 0.45 -1.50 0.00 0.00 0.00 173.10 170.38 2wbk s ILE 202 N -1.91 4.98 -0.33 0.90 2.07 -1.26 -3.65 121.20 122.01 2wbk s ILE 202 Ca 0.21 0.73 -0.22 0.00 -1.41 0.00 0.00 60.65 59.95 2wbk s ILE 202 Cb -0.07 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.82 2wbk s ILE 202 CO 0.10 0.39 0.74 -0.60 -1.91 0.00 0.00 174.94 173.66 2wbk s ARG 203 N -1.61 3.87 -0.38 3.50 3.52 -1.26 -4.13 118.95 122.46 2wbk s ARG 203 Ca 0.31 0.41 0.02 0.00 -0.13 0.00 0.00 55.73 56.34 2wbk s ARG 203 Cb -0.15 -3.76 0.15 0.00 -1.56 0.00 0.00 34.95 29.63 2wbk s ARG 203 CO 0.17 -0.71 0.29 -1.64 -0.81 0.00 0.00 175.30 172.60 2wbk s MET 204 N 2.91 0.67 -1.12 5.12 -1.94 -0.20 -4.90 119.30 119.85 2wbk s MET 204 Ca 0.30 -1.44 -0.17 0.00 -1.71 0.00 0.00 55.69 52.66 2wbk s MET 204 Cb -0.14 -1.18 0.13 0.00 2.01 0.00 0.00 34.83 35.65 2wbk s MET 204 CO 0.14 -1.26 1.40 0.08 -0.01 0.00 0.00 175.02 175.36 2wbk s VAL 205 N 0.86 4.64 0.62 -6.03 1.01 -1.16 -4.72 120.40 115.62 2wbk s VAL 205 Ca 0.22 -1.95 0.01 0.00 0.00 0.00 0.00 61.98 60.26 2wbk s VAL 205 Cb -0.14 -4.94 0.08 0.00 0.00 0.00 0.00 36.38 31.38 2wbk s VAL 205 CO -0.05 -1.70 0.86 0.28 0.00 0.00 0.00 175.10 174.49 2wbk s THR 206 N 2.80 2.41 0.25 3.92 -1.32 -1.26 -4.46 115.64 117.99 2wbk s THR 206 Ca 0.42 -0.66 -0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2wbk s THR 206 Cb -0.02 -2.75 -0.03 0.00 -1.51 0.00 0.00 72.50 68.19 2wbk s THR 206 CO -0.03 0.00 0.24 -0.44 -2.21 0.00 0.00 174.62 172.18 2wbk s SER 207 N -4.57 0.60 0.00 8.08 0.01 -1.26 -4.79 113.70 111.77 2wbk s SER 207 Ca 0.61 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2wbk s SER 207 Cb -0.08 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2wbk s SER 207 CO 0.41 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2wbk n GLY 208 N -0.40 0.96 3.45 3.44 0.00 0.47 -2.01 105.19 111.10 2wbk n GLY 208 Ca 0.03 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.59 2wbk n GLY 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbk s VAL 209 N -1.12 4.67 -1.53 1.61 1.01 -1.23 -1.44 120.40 122.37 2wbk s VAL 209 Ca 0.00 -1.36 0.27 0.00 0.00 0.00 0.00 61.98 60.88 2wbk s VAL 209 Cb 0.00 -4.75 0.24 0.00 0.00 0.00 0.00 36.38 31.88 2wbk s VAL 209 CO 0.00 -1.48 1.61 -2.67 0.00 0.00 0.00 175.10 172.56 2wbk n TRP 210 N 6.71 0.00 -4.23 5.22 4.27 -1.02 -1.64 117.44 126.75 2wbk n TRP 210 Ca 0.18 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.66 2wbk n TRP 210 Cb 0.48 -0.18 -0.10 0.00 -1.36 0.00 0.00 31.31 30.15 2wbk n TRP 210 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 2wbk s ARG 211 N -2.63 1.18 0.70 -2.67 0.52 -1.22 -4.58 118.95 110.24 2wbk s ARG 211 Ca 0.22 -1.60 -0.15 0.00 -0.52 0.00 0.00 55.73 53.67 2wbk s ARG 211 Cb 0.19 0.01 0.02 0.00 0.52 0.00 0.00 34.95 35.70 2wbk s ARG 211 CO 0.55 -0.28 1.18 -2.14 0.02 0.00 0.00 175.30 174.63 2wbk s PRO 212 N -4.05 2.38 -0.16 3.54 0.02 -1.26 -4.31 135.00 131.16 2wbk s PRO 212 Ca 0.32 1.68 -0.00 0.00 0.02 0.00 0.00 61.00 63.02 2wbk s PRO 212 Cb 0.07 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.72 2wbk s PRO 212 CO 0.08 -1.64 -0.14 0.08 -0.33 0.00 0.00 177.00 175.06 2wbk s VAL 213 N -2.03 2.74 0.09 3.83 1.01 -1.26 -1.55 120.40 123.23 2wbk s VAL 213 Ca 0.73 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2wbk s VAL 213 Cb -0.27 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2wbk s VAL 213 CO 0.43 0.51 -0.10 0.42 0.00 0.00 0.00 175.10 176.37 2wbk s THR 214 N 0.82 0.87 -0.11 3.92 -4.23 -0.33 -2.14 115.64 114.44 2wbk s THR 214 Ca -0.05 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2wbk s THR 214 Cb -0.15 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.39 2wbk s THR 214 CO 0.00 -0.57 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.10 2wbk s LEU 215 N -2.40 1.92 -0.12 4.79 2.96 0.03 -0.64 118.68 125.23 2wbk s LEU 215 Ca 0.04 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2wbk s LEU 215 Cb -0.03 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.42 2wbk s LEU 215 CO -0.00 0.07 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.29 2wbk s ARG 216 N 0.73 2.85 -0.24 1.98 3.52 0.06 -0.32 118.95 127.54 2wbk s ARG 216 Ca -0.11 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 54.64 2wbk s ARG 216 Cb -0.16 -2.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 2wbk s ARG 216 CO 0.02 0.04 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.48 2wbk s PHE 217 N 0.69 3.01 0.14 5.12 0.08 0.39 -1.26 117.98 126.15 2wbk s PHE 217 Ca -0.11 -0.88 -0.04 0.00 0.12 0.00 0.00 56.93 56.02 2wbk s PHE 217 Cb -0.16 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2wbk s PHE 217 CO 0.02 -0.52 0.14 1.52 -0.10 0.00 0.00 175.22 176.28 2wbk s TYR 218 N 1.50 0.67 -0.11 0.36 -0.85 -0.83 -0.28 117.35 117.80 2wbk s TYR 218 Ca 0.05 -1.04 -0.06 0.00 -0.52 0.00 0.00 57.07 55.50 2wbk s TYR 218 Cb -0.15 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 2wbk s TYR 218 CO -0.01 -0.59 0.12 -0.51 -1.52 0.00 0.00 175.55 173.03 2wbk s ASP 219 N -3.01 6.23 0.00 -0.18 1.01 -1.26 -1.99 116.67 117.46 2wbk s ASP 219 Ca 0.21 0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.89 2wbk s ASP 219 Cb 0.06 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2wbk s ASP 219 CO 0.01 0.40 0.00 -0.38 0.21 0.00 0.00 175.17 175.41 2wbk n ILE 220 N 1.99 0.00 -3.57 0.77 2.08 -1.26 -4.74 119.36 114.64 2wbk n ILE 220 Ca -0.20 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.00 2wbk n ILE 220 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.40 2wbk n ILE 220 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wbk s ALA 221 N 0.00 -1.18 0.28 -1.39 0.00 -1.26 -0.66 121.76 117.55 2wbk s ALA 221 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.18 2wbk s ALA 221 Cb 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 2wbk s ALA 221 CO 0.00 -0.72 -0.03 0.95 0.00 0.00 0.00 175.76 175.97 2wbk s THR 222 N -3.79 3.13 -0.46 0.00 -4.23 -0.91 -4.55 115.64 104.82 2wbk s THR 222 Ca 0.03 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.33 2wbk s THR 222 Cb 0.00 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 71.13 2wbk s THR 222 CO -0.11 -0.34 0.72 -0.63 -0.54 0.00 0.00 174.62 173.72 2wbk s ILE 223 N -2.39 4.73 -0.21 2.99 1.01 -1.26 -1.46 121.20 124.60 2wbk s ILE 223 Ca 0.32 0.14 0.17 0.00 0.00 0.00 0.00 60.65 61.28 2wbk s ILE 223 Cb -0.05 -4.29 0.09 0.00 0.01 0.00 0.00 42.46 38.22 2wbk s ILE 223 CO 0.19 -0.73 1.39 0.77 0.00 0.00 0.00 174.94 176.57 2wbk h SER 224 N 8.98 0.00 -4.14 3.58 4.64 -1.31 -3.46 113.55 121.83 2wbk h SER 224 Ca -0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 2wbk h SER 224 Cb 1.09 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.95 2wbk h SER 224 CO 0.95 0.40 -0.15 -0.62 -0.87 0.00 0.00 176.83 176.53 2wbk s ASP 225 N -6.30 -0.46 -0.16 4.97 2.15 -1.11 -5.00 116.67 110.77 2wbk s ASP 225 Ca 0.04 0.81 -0.02 0.00 0.43 0.00 0.00 52.55 53.80 2wbk s ASP 225 Cb 0.07 0.84 0.05 0.00 -0.30 0.00 0.00 42.92 43.58 2wbk s ASP 225 CO 0.74 -0.24 0.02 -0.47 -0.17 0.00 0.00 175.17 175.05 2wbk s TYR 226 N -0.08 0.95 -0.17 -5.34 5.04 -1.26 -1.52 117.35 114.96 2wbk s TYR 226 Ca -0.03 -0.67 0.01 0.00 -2.44 0.00 0.00 57.07 53.94 2wbk s TYR 226 Cb -0.03 -0.98 0.01 0.00 0.35 0.00 0.00 41.96 41.32 2wbk s TYR 226 CO 0.02 -0.53 -0.19 -0.47 -1.34 0.00 0.00 175.55 173.04 2wbk s TYR 227 N 1.88 2.77 -0.45 4.97 5.04 0.34 -4.95 117.35 126.95 2wbk s TYR 227 Ca 0.01 -1.50 -0.16 0.00 -2.44 0.00 0.00 57.07 52.98 2wbk s TYR 227 Cb -0.16 -1.91 0.05 0.00 0.35 0.00 0.00 41.96 40.29 2wbk s TYR 227 CO -0.07 -0.73 0.40 0.08 -1.34 0.00 0.00 175.55 173.89 2wbk s VAL 228 N 1.18 5.17 -0.24 3.14 1.01 -1.26 -0.38 120.40 129.02 2wbk s VAL 228 Ca 0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2wbk s VAL 228 Cb -0.14 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2wbk s VAL 228 CO -0.09 -0.49 0.08 -0.60 0.00 0.00 0.00 175.10 173.99 2wbk s ARG 229 N 1.86 3.71 -0.31 2.72 3.52 0.02 -4.91 118.95 125.56 2wbk s ARG 229 Ca 0.07 -0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 54.93 2wbk s ARG 229 Cb -0.21 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2wbk s ARG 229 CO 0.10 -0.14 1.17 -1.14 -0.81 0.00 0.00 175.30 174.48 2wbk s GLN 230 N 1.50 4.00 -0.05 5.12 0.74 -1.26 0.14 119.66 129.85 2wbk s GLN 230 Ca 0.06 1.14 -0.13 0.00 0.05 0.00 0.00 55.36 56.48 2wbk s GLN 230 Cb -0.15 -3.80 -0.30 0.00 1.10 0.00 0.00 33.01 29.86 2wbk s GLN 230 CO 0.04 -0.99 0.68 -0.07 -0.55 0.00 0.00 175.29 174.40 2wbk h LEU 231 N 10.41 0.58 -7.00 3.68 3.38 -0.13 -3.48 115.31 122.75 2wbk h LEU 231 Ca -0.23 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 56.80 2wbk h LEU 231 Cb 1.08 -0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.46 2wbk h LEU 231 CO 1.03 1.73 0.26 -0.94 0.09 0.00 0.00 178.44 180.62 2wbk s SER 232 N -7.25 -0.58 -0.04 -0.43 1.04 -1.03 -5.00 113.70 100.40 2wbk s SER 232 Ca -0.16 0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 2wbk s SER 232 Cb 0.05 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2wbk s SER 232 CO 0.84 -0.66 0.02 -0.22 0.98 0.00 0.00 173.24 174.20 2wbk s LEU 233 N -1.62 0.75 0.36 2.42 2.96 -1.26 -1.05 118.68 121.24 2wbk s LEU 233 Ca -0.06 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2wbk s LEU 233 Cb -0.00 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.38 2wbk s LEU 233 CO 0.02 -0.16 0.07 0.42 -1.32 0.00 0.00 176.35 175.38 2wbk s THR 234 N 1.57 1.06 0.47 3.68 -4.23 0.25 -4.99 115.64 113.45 2wbk s THR 234 Ca -0.02 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.63 2wbk s THR 234 Cb -0.13 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.37 2wbk s THR 234 CO -0.03 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 176.55 2wbk h ASP 235 N 1.97 0.23 1.00 3.99 3.32 -2.01 -2.29 116.42 122.63 2wbk h ASP 235 Ca -0.40 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.45 2wbk h ASP 235 Cb 1.26 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 2wbk h ASP 235 CO 0.67 0.16 -1.04 -0.33 -1.72 0.00 0.00 179.24 176.97 2wbk h GLU 236 N 0.27 0.00 -2.21 3.56 3.07 -1.95 -3.34 114.58 113.97 2wbk h GLU 236 Ca 0.15 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 2wbk h GLU 236 Cb 0.27 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 27.96 2wbk h GLU 236 CO -0.03 0.77 -0.05 1.21 -1.40 0.00 0.00 179.01 179.51 2wbk s ASN 237 N -6.50 -0.76 -0.22 1.42 2.47 -0.86 -0.09 114.94 110.40 2wbk s ASN 237 Ca 0.00 1.30 -0.08 0.00 0.42 0.00 0.00 52.86 54.50 2wbk s ASN 237 Cb 0.09 1.22 -0.04 0.00 -1.45 0.00 0.00 41.25 41.07 2wbk s ASN 237 CO 0.81 -0.22 0.10 0.00 -3.72 0.00 0.00 177.10 174.06 2wbk s ALA 238 N 1.16 3.38 -0.31 1.71 0.00 0.25 -0.58 121.76 127.36 2wbk s ALA 238 Ca -0.07 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 2wbk s ALA 238 Cb -0.06 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.99 2wbk s ALA 238 CO -0.12 -0.17 0.08 1.03 0.00 0.00 0.00 175.76 176.58 2wbk s ARG 239 N 1.02 2.90 0.16 0.00 0.52 -0.22 -1.44 118.95 121.89 2wbk s ARG 239 Ca 0.05 -0.98 0.09 0.00 -0.52 0.00 0.00 55.73 54.37 2wbk s ARG 239 Cb -0.14 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 2wbk s ARG 239 CO 0.03 -0.52 -0.14 -0.51 0.02 0.00 0.00 175.30 174.18 2wbk s LEU 240 N 1.45 2.81 -0.20 2.53 2.01 0.35 0.64 118.68 128.27 2wbk s LEU 240 Ca 0.01 -0.60 0.01 0.00 0.01 0.00 0.00 54.13 53.56 2wbk s LEU 240 Cb -0.18 -1.56 0.03 0.00 0.01 0.00 0.00 46.19 44.49 2wbk s LEU 240 CO 0.02 0.14 -0.17 -0.55 1.01 0.00 0.00 176.35 176.79 2wbk s SER 241 N -2.54 3.51 -0.56 2.29 0.15 0.37 -1.62 113.70 115.30 2wbk s SER 241 Ca 0.22 -0.84 -0.25 0.00 0.70 0.00 0.00 55.95 55.79 2wbk s SER 241 Cb -0.09 -1.51 0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2wbk s SER 241 CO 0.13 -0.05 0.98 0.20 1.20 0.00 0.00 173.24 175.70 2wbk s ASN 242 N 1.25 6.35 -0.22 5.45 0.01 0.67 -0.80 114.94 127.66 2wbk s ASN 242 Ca 0.01 -0.30 -0.09 0.00 -0.71 0.00 0.00 52.86 51.77 2wbk s ASN 242 Cb -0.15 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 2wbk s ASN 242 CO -0.11 -1.27 0.11 -1.61 -1.51 0.00 0.00 177.10 172.71 2wbk s GLU 243 N 4.11 3.96 -0.02 -0.60 2.02 0.49 -1.40 118.70 127.25 2wbk s GLU 243 Ca 0.32 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 55.04 2wbk s GLU 243 Cb -0.12 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 2wbk s GLU 243 CO 0.20 0.09 -0.21 -0.51 0.02 0.00 0.00 175.26 174.84 2wbk s LEU 244 N 0.93 2.03 -0.20 1.80 1.43 0.94 -0.51 118.68 125.11 2wbk s LEU 244 Ca 0.06 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2wbk s LEU 244 Cb -0.13 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 44.99 2wbk s LEU 244 CO 0.03 0.25 -0.12 -0.63 0.23 0.00 0.00 176.35 176.11 2wbk s ILE 245 N -0.43 2.69 -0.14 -0.59 1.01 -0.57 -1.31 121.20 121.85 2wbk s ILE 245 Ca 0.06 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2wbk s ILE 245 Cb -0.09 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.20 2wbk s ILE 245 CO -0.00 0.48 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 2wbk s VAL 246 N 1.37 2.22 -0.35 2.92 1.01 -0.86 -0.76 120.40 125.95 2wbk s VAL 246 Ca 0.05 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 2wbk s VAL 246 Cb -0.14 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2wbk s VAL 246 CO -0.08 0.54 0.17 0.21 0.00 0.00 0.00 175.10 175.94 2wbk s ASN 247 N 0.79 5.60 -0.07 3.32 2.47 -0.53 -0.33 114.94 126.19 2wbk s ASN 247 Ca -0.07 -0.88 -0.16 0.00 0.42 0.00 0.00 52.86 52.17 2wbk s ASN 247 Cb -0.16 -1.99 -0.05 0.00 -1.45 0.00 0.00 41.25 37.60 2wbk s ASN 247 CO -0.01 -0.32 0.42 -1.58 -3.72 0.00 0.00 177.10 171.89 2wbk s GLN 248 N 1.55 4.16 0.00 0.43 0.74 0.10 -2.13 119.66 124.50 2wbk s GLN 248 Ca 0.02 0.39 0.19 0.00 0.05 0.00 0.00 55.36 56.01 2wbk s GLN 248 Cb -0.19 -3.34 -0.12 0.00 1.10 0.00 0.00 33.01 30.46 2wbk s GLN 248 CO 0.06 0.40 0.85 1.51 -0.55 0.00 0.00 175.29 177.56 2wbk n ILE 249 N 2.86 0.00 -3.99 -2.34 0.13 0.16 -0.40 119.36 115.78 2wbk n ILE 249 Ca -0.11 -0.16 -0.26 0.00 -1.10 0.00 0.00 62.75 61.12 2wbk n ILE 249 Cb 0.52 1.09 -0.04 0.00 -0.84 0.00 0.00 39.64 40.37 2wbk n ILE 249 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 2wbk s VAL 250 N -2.50 5.05 0.29 9.51 -7.23 -1.25 -4.96 120.40 119.31 2wbk s VAL 250 Ca 0.10 -0.80 0.17 0.00 -1.81 0.00 0.00 61.98 59.64 2wbk s VAL 250 Cb 0.14 -3.59 0.12 0.00 0.56 0.00 0.00 36.38 33.61 2wbk s VAL 250 CO 0.64 -0.09 1.79 -0.65 -0.31 0.00 0.00 175.10 176.49 2wbk h PRO 251 N 2.27 0.00 -7.51 4.82 0.11 -1.97 -3.39 132.00 126.34 2wbk h PRO 251 Ca -0.48 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.17 2wbk h PRO 251 Cb 1.19 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.44 2wbk h PRO 251 CO 0.67 0.37 0.30 -0.65 -0.21 0.00 0.00 178.00 178.48 2wbk s GLN 252 N -3.89 0.93 -0.21 1.05 1.11 -1.26 -4.64 119.66 112.75 2wbk s GLN 252 Ca -0.02 0.22 -0.22 0.00 0.01 0.00 0.00 55.36 55.35 2wbk s GLN 252 Cb 0.13 -1.82 -0.02 0.00 -1.01 0.00 0.00 33.01 30.29 2wbk s GLN 252 CO 0.70 -2.32 0.71 0.15 0.01 0.00 0.00 175.29 174.53 2wbk s LYS 253 N -5.33 4.20 -0.30 2.91 1.02 -1.26 -4.23 119.74 116.76 2wbk s LYS 253 Ca 0.65 0.74 -0.04 0.00 0.02 0.00 0.00 55.97 57.34 2wbk s LYS 253 Cb -0.14 -3.60 0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2wbk s LYS 253 CO 0.53 -0.35 0.03 0.42 -0.92 0.00 0.00 175.35 175.07 2wbk s ILE 254 N 2.26 3.32 0.22 2.17 -1.09 -0.06 -4.89 121.20 123.13 2wbk s ILE 254 Ca 0.31 -1.14 -0.30 0.00 -2.23 0.00 0.00 60.65 57.29 2wbk s ILE 254 Cb -0.16 -2.82 -0.09 0.00 -1.58 0.00 0.00 42.46 37.80 2wbk s ILE 254 CO 0.10 -0.04 1.36 -2.84 -1.23 0.00 0.00 174.94 172.29 2wbk s PRO 255 N 1.34 4.34 0.22 2.79 0.02 -1.26 0.14 135.00 142.60 2wbk s PRO 255 Ca -0.02 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 2wbk s PRO 255 Cb -0.19 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.17 2wbk s PRO 255 CO -0.00 -0.31 0.40 0.00 -0.33 0.00 0.00 177.00 176.76 2wbk s ALA 256 N 0.01 -0.05 -0.16 -1.55 0.00 0.03 -4.67 121.76 115.37 2wbk s ALA 256 Ca 0.57 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2wbk s ALA 256 Cb -0.39 1.06 0.02 0.00 0.00 0.00 0.00 23.12 23.81 2wbk s ALA 256 CO 0.41 -0.78 -0.18 -2.00 0.00 0.00 0.00 175.76 173.21 2wbk s GLU 257 N -4.02 2.69 -0.06 0.00 2.12 0.19 -0.42 118.70 119.20 2wbk s GLU 257 Ca 0.23 -0.71 -0.21 0.00 0.36 0.00 0.00 54.97 54.64 2wbk s GLU 257 Cb 0.01 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 2wbk s GLU 257 CO 0.07 -0.20 0.60 0.08 -0.54 0.00 0.00 175.26 175.27 2wbk s VAL 258 N 1.32 5.05 -0.06 3.70 1.01 0.11 -0.36 120.40 131.17 2wbk s VAL 258 Ca 0.04 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.26 2wbk s VAL 258 Cb -0.13 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2wbk s VAL 258 CO -0.11 0.33 -0.10 -0.13 0.00 0.00 0.00 175.10 175.09 2wbk s ARG 259 N 0.43 1.38 -0.19 2.72 0.52 -0.00 -0.75 118.95 123.06 2wbk s ARG 259 Ca 0.32 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 2wbk s ARG 259 Cb -0.17 -1.19 0.01 0.00 0.52 0.00 0.00 34.95 34.12 2wbk s ARG 259 CO 0.15 0.00 -0.17 0.08 0.02 0.00 0.00 175.30 175.39 2wbk s VAL 260 N 0.69 2.30 -0.18 3.52 1.01 -0.64 0.03 120.40 127.13 2wbk s VAL 260 Ca -0.13 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2wbk s VAL 260 Cb -0.15 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2wbk s VAL 260 CO 0.02 0.52 0.02 0.21 0.00 0.00 0.00 175.10 175.87 2wbk s ASN 261 N 1.31 5.14 -0.21 3.32 3.84 -0.41 -1.44 114.94 126.50 2wbk s ASN 261 Ca 0.05 -0.07 -0.05 0.00 0.21 0.00 0.00 52.86 53.00 2wbk s ASN 261 Cb -0.13 -1.87 -0.02 0.00 -0.55 0.00 0.00 41.25 38.68 2wbk s ASN 261 CO -0.11 0.13 -0.01 -0.69 -2.79 0.00 0.00 177.10 173.63 2wbk s VAL 262 N 0.61 3.80 0.05 -5.21 1.01 -0.31 -0.89 120.40 119.45 2wbk s VAL 262 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2wbk s VAL 262 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2wbk s VAL 262 CO 0.02 0.42 -0.05 -0.44 0.00 0.00 0.00 175.10 175.05 2wbk s SER 263 N 1.14 0.63 -0.05 3.32 0.01 0.28 0.31 113.70 119.34 2wbk s SER 263 Ca 0.02 -0.74 -0.00 0.00 1.31 0.00 0.00 55.95 56.55 2wbk s SER 263 Cb -0.14 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2wbk s SER 263 CO 0.01 -0.38 -0.01 -0.22 0.41 0.00 0.00 173.24 173.05 2wbk s LEU 264 N -2.16 0.89 -1.36 2.44 2.96 -0.01 -0.37 118.68 121.08 2wbk s LEU 264 Ca -0.03 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 2wbk s LEU 264 Cb -0.03 -0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.31 2wbk s LEU 264 CO -0.04 -0.14 0.40 -3.20 -1.32 0.00 0.00 176.35 172.05 2wbk n ASN 265 N 4.64 -4.68 0.00 3.68 5.15 -1.26 -1.10 115.26 121.70 2wbk n ASN 265 Ca -0.16 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 2wbk n ASN 265 Cb 0.50 -3.86 0.00 0.00 -0.53 0.00 0.00 39.78 35.90 2wbk n ASN 265 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wbk n GLY 266 N -1.20 1.00 3.29 8.20 0.00 -1.26 -5.04 105.19 110.17 2wbk n GLY 266 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2wbk n GLY 266 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wbk s THR 267 N -2.68 2.94 0.19 2.61 2.01 -0.25 -5.08 115.64 115.37 2wbk s THR 267 Ca 0.00 -0.66 -0.32 0.00 0.31 0.00 0.00 61.69 61.01 2wbk s THR 267 Cb 0.00 -2.28 -0.15 0.00 0.01 0.00 0.00 72.50 70.08 2wbk s THR 267 CO 0.00 0.49 1.26 0.41 -0.69 0.00 0.00 174.62 176.09 2wbk n THR 268 N 4.25 0.85 -0.08 -0.82 -1.04 -1.26 -0.83 114.28 115.36 2wbk n THR 268 Ca -0.19 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.05 61.51 2wbk n THR 268 Cb 0.51 -1.06 -0.08 0.00 -1.82 0.00 0.00 70.33 67.88 2wbk n THR 268 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wbk n VAL 269 N 1.72 0.90 -3.56 12.58 0.31 0.15 -4.86 118.33 125.57 2wbk n VAL 269 Ca 0.14 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.96 2wbk n VAL 269 Cb 0.27 -0.96 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 2wbk n VAL 269 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2wbk s THR 270 N -2.32 0.00 -0.07 2.52 -1.32 -1.07 -5.02 115.64 108.37 2wbk s THR 270 Ca -0.17 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.28 2wbk s THR 270 Cb 0.05 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.08 2wbk s THR 270 CO 0.41 0.00 0.16 -0.70 -2.21 0.00 0.00 174.62 172.28 2wbk s GLU 271 N -1.45 0.10 0.15 7.08 2.12 -1.26 -1.16 118.70 124.27 2wbk s GLU 271 Ca -0.02 0.40 0.08 0.00 0.36 0.00 0.00 54.97 55.79 2wbk s GLU 271 Cb -0.00 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 2wbk s GLU 271 CO 0.01 -0.17 -0.18 0.14 -0.54 0.00 0.00 175.26 174.52 2wbk s VAL 272 N 1.23 1.74 0.21 3.70 -7.23 -0.52 -5.01 120.40 114.52 2wbk s VAL 272 Ca -0.09 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2wbk s VAL 272 Cb -0.11 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2wbk s VAL 272 CO -0.06 -0.29 0.08 -0.54 -0.31 0.00 0.00 175.10 173.98 2wbk s LYS 273 N -2.65 1.22 -0.25 4.82 1.02 -1.26 -1.62 119.74 121.02 2wbk s LYS 273 Ca 0.13 -1.63 -0.14 0.00 0.02 0.00 0.00 55.97 54.35 2wbk s LYS 273 Cb -0.06 -0.03 0.08 0.00 -0.52 0.00 0.00 37.83 37.29 2wbk s LYS 273 CO 0.06 -0.29 0.61 -0.65 -0.92 0.00 0.00 175.35 174.16 2wbk s GLN 274 N -4.05 0.62 0.15 1.68 1.11 0.07 -4.99 119.66 114.25 2wbk s GLN 274 Ca 0.33 1.11 -0.26 0.00 0.01 0.00 0.00 55.36 56.56 2wbk s GLN 274 Cb 0.07 0.12 -0.07 0.00 -1.01 0.00 0.00 33.01 32.12 2wbk s GLN 274 CO 0.10 -0.16 0.81 -1.14 0.01 0.00 0.00 175.29 174.91 2wbk s GLN 275 N 1.62 4.61 0.14 2.91 2.00 -1.26 0.07 119.66 129.74 2wbk s GLN 275 Ca -0.10 1.21 -0.00 0.00 -2.00 0.00 0.00 55.36 54.47 2wbk s GLN 275 Cb -0.06 -3.29 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 2wbk s GLN 275 CO -0.18 0.48 0.04 0.14 -0.50 0.00 0.00 175.29 175.28 2wbk s VAL 276 N -0.86 0.22 -0.20 1.34 -7.23 0.44 -4.92 120.40 109.18 2wbk s VAL 276 Ca 0.38 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2wbk s VAL 276 Cb -0.23 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.69 2wbk s VAL 276 CO 0.27 -0.48 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.53 2wbk s THR 277 N -3.97 2.03 0.12 5.32 2.01 -1.26 -0.79 115.64 119.10 2wbk s THR 277 Ca 0.24 -1.14 -0.26 0.00 0.31 0.00 0.00 61.69 60.83 2wbk s THR 277 Cb 0.07 -1.95 -0.07 0.00 0.01 0.00 0.00 72.50 70.56 2wbk s THR 277 CO 0.02 0.33 0.82 -0.76 -0.69 0.00 0.00 174.62 174.34 2wbk s LEU 278 N 1.25 4.53 0.00 4.42 1.43 0.37 -4.79 118.68 125.90 2wbk s LEU 278 Ca 0.00 1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.72 2wbk s LEU 278 Cb -0.15 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2wbk s LEU 278 CO -0.10 0.09 0.15 -1.10 0.23 0.00 0.00 176.35 175.62 2wbk s GLN 279 N -0.57 3.30 0.53 1.70 -1.52 -1.26 -0.88 119.66 120.97 2wbk s GLN 279 Ca 0.39 -0.40 -0.20 0.00 -1.95 0.00 0.00 55.36 53.20 2wbk s GLN 279 Cb -0.22 -3.00 -0.07 0.00 -0.22 0.00 0.00 33.01 29.49 2wbk s GLN 279 CO 0.26 0.66 0.91 -2.30 -0.25 0.00 0.00 175.29 174.57 2wbk n PRO 280 N 0.93 1.01 0.00 2.91 -0.02 -1.26 -4.49 135.00 134.07 2wbk n PRO 280 Ca -0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2wbk n PRO 280 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2wbk n PRO 280 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wbk n GLY 281 N 1.32 -0.27 3.77 -1.23 0.00 0.46 -4.85 105.19 104.40 2wbk n GLY 281 Ca 0.12 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 2wbk n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wbk s ILE 282 N 0.00 4.37 0.01 -0.61 -1.09 -1.26 0.01 121.20 122.62 2wbk s ILE 282 Ca 0.00 1.74 0.03 0.00 -2.23 0.00 0.00 60.65 60.19 2wbk s ILE 282 Cb 0.00 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 2wbk s ILE 282 CO 0.00 0.51 -0.11 0.20 -1.23 0.00 0.00 174.94 174.31 2wbk s ASN 283 N -1.06 1.25 -0.25 3.58 0.01 0.55 -4.92 114.94 114.10 2wbk s ASN 283 Ca 0.37 -0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 52.23 2wbk s ASN 283 Cb -0.23 -0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.34 2wbk s ASN 283 CO 0.27 0.08 -0.04 -1.00 -1.51 0.00 0.00 177.10 174.90 2wbk s HIS 284 N -0.44 3.07 -0.02 2.20 3.76 -1.26 -2.03 115.29 120.58 2wbk s HIS 284 Ca 0.02 -1.43 0.06 0.00 -0.15 0.00 0.00 55.06 53.56 2wbk s HIS 284 Cb -0.05 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.54 2wbk s HIS 284 CO 0.00 -0.70 -0.19 0.42 -0.85 0.00 0.00 174.74 173.42 2wbk s ILE 285 N 1.36 1.54 -0.06 0.60 1.01 -0.43 -5.00 121.20 120.21 2wbk s ILE 285 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 2wbk s ILE 285 Cb -0.17 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.05 2wbk s ILE 285 CO -0.03 0.44 -0.00 -0.89 0.00 0.00 0.00 174.94 174.45 2wbk s THR 286 N -0.39 0.34 -0.13 2.92 2.01 -1.25 -0.04 115.64 119.10 2wbk s THR 286 Ca 0.06 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.19 2wbk s THR 286 Cb -0.08 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 71.96 2wbk s THR 286 CO -0.00 0.23 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.18 2wbk s LEU 287 N 1.71 2.10 0.60 4.42 1.02 -0.49 -4.97 118.68 123.06 2wbk s LEU 287 Ca 0.01 -0.59 -0.16 0.00 0.02 0.00 0.00 54.13 53.40 2wbk s LEU 287 Cb -0.13 -1.43 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 2wbk s LEU 287 CO -0.04 0.10 1.07 -2.84 0.02 0.00 0.00 176.35 174.67 2wbk s PRO 288 N 0.68 3.23 -0.06 1.29 0.02 -1.26 -0.23 135.00 138.66 2wbk s PRO 288 Ca -0.10 1.29 -0.12 0.00 0.02 0.00 0.00 61.00 62.08 2wbk s PRO 288 Cb -0.16 -2.02 0.03 0.00 0.02 0.00 0.00 34.50 32.37 2wbk s PRO 288 CO 0.01 -0.89 0.30 0.00 -0.33 0.00 0.00 177.00 176.09 2wbk s ALA 289 N -2.34 -0.75 -0.01 -1.55 0.00 -0.64 -4.88 121.76 111.58 2wbk s ALA 289 Ca 0.65 0.57 0.05 0.00 0.00 0.00 0.00 51.96 53.24 2wbk s ALA 289 Cb -0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2wbk s ALA 289 CO 0.36 -0.20 -0.16 -1.21 0.00 0.00 0.00 175.76 174.55 2wbk s GLU 290 N -0.60 1.27 -0.23 0.00 2.02 -1.26 -0.49 118.70 119.41 2wbk s GLU 290 Ca -0.07 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.36 2wbk s GLU 290 Cb -0.04 -1.23 0.04 0.00 0.10 0.00 0.00 34.13 33.00 2wbk s GLU 290 CO 0.02 0.34 -0.14 0.08 0.02 0.00 0.00 175.26 175.58 2wbk s VAL 291 N -0.39 2.26 0.34 2.63 1.01 -0.52 -4.87 120.40 120.86 2wbk s VAL 291 Ca 0.06 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 2wbk s VAL 291 Cb -0.06 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 2wbk s VAL 291 CO -0.01 0.24 0.82 0.42 0.00 0.00 0.00 175.10 176.57 2wbk s THR 292 N 1.22 4.53 -1.26 3.92 -4.23 -1.26 -0.59 115.64 117.97 2wbk s THR 292 Ca -0.02 1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 61.66 2wbk s THR 292 Cb -0.17 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 69.97 2wbk s THR 292 CO -0.08 -0.12 0.66 0.59 -0.54 0.00 0.00 174.62 175.13 2wbk n ASN 293 N -0.16 -2.82 -4.74 3.99 5.03 0.87 -4.89 115.26 112.54 2wbk n ASN 293 Ca 0.03 -0.95 -0.37 0.00 0.87 0.00 0.00 54.58 54.16 2wbk n ASN 293 Cb 0.53 -3.52 0.05 0.00 -1.02 0.00 0.00 39.78 35.81 2wbk n ASN 293 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2wbk s PRO 294 N -6.09 2.88 -0.40 3.52 0.04 -1.25 -4.99 135.00 128.70 2wbk s PRO 294 Ca 0.21 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 2wbk s PRO 294 Cb -0.07 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2wbk s PRO 294 CO 0.85 -1.32 0.57 0.08 0.04 0.00 0.00 177.00 177.22 2wbk s VAL 295 N -1.46 4.92 0.32 -0.36 1.01 -1.26 -5.01 120.40 118.57 2wbk s VAL 295 Ca 0.78 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 2wbk s VAL 295 Cb -0.35 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 2wbk s VAL 295 CO 0.38 -0.44 1.23 -0.13 0.00 0.00 0.00 175.10 176.14 2wbk s ARG 296 N 2.59 4.40 0.06 2.72 0.52 -1.26 -4.56 118.95 123.41 2wbk s ARG 296 Ca 0.20 2.06 -0.31 0.00 -0.52 0.00 0.00 55.73 57.17 2wbk s ARG 296 Cb -0.15 -3.06 -0.07 0.00 0.52 0.00 0.00 34.95 32.19 2wbk s ARG 296 CO 0.16 -0.09 1.39 -0.46 0.02 0.00 0.00 175.30 176.32 2wbk s TRP 297 N -1.17 3.05 0.12 -0.53 -0.00 -0.24 -4.26 118.94 115.90 2wbk s TRP 297 Ca 0.49 0.89 0.09 0.00 -0.00 0.00 0.00 56.10 57.57 2wbk s TRP 297 Cb -0.37 -3.67 -0.04 0.00 -0.00 0.00 0.00 33.47 29.40 2wbk s TRP 297 CO 0.48 -2.39 -0.23 -1.64 -0.00 0.00 0.00 176.95 173.17 2wbk s MET 298 N 1.73 1.24 0.71 5.86 -1.94 -0.86 -4.69 119.30 121.34 2wbk s MET 298 Ca 0.64 -1.26 -0.11 0.00 -1.71 0.00 0.00 55.69 53.25 2wbk s MET 298 Cb -0.34 -1.57 0.01 0.00 2.01 0.00 0.00 34.83 34.95 2wbk s MET 298 CO 0.29 0.36 1.10 -1.25 -0.01 0.00 0.00 175.02 175.51 2wbk s PRO 299 N -2.06 2.86 -0.10 2.03 0.04 -1.26 -3.50 135.00 133.01 2wbk s PRO 299 Ca 0.10 0.46 -0.36 0.00 0.04 0.00 0.00 61.00 61.25 2wbk s PRO 299 Cb -0.10 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 2wbk s PRO 299 CO 0.05 -1.04 1.78 -1.71 0.04 0.00 0.00 177.00 176.12 2wbk n ASN 300 N -3.01 3.02 0.00 6.66 5.15 0.69 -0.33 115.26 127.44 2wbk n ASN 300 Ca 0.07 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 2wbk n ASN 300 Cb 0.57 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 2wbk n ASN 300 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wbk n GLY 301 N 4.13 0.45 0.56 8.20 0.00 -1.26 -4.66 105.19 112.60 2wbk n GLY 301 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 2wbk n GLY 301 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wbk n TRP 302 N -1.97 0.30 0.00 1.61 7.02 0.55 -4.81 117.44 120.14 2wbk n TRP 302 Ca 0.00 -0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 2wbk n TRP 302 Cb 0.00 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 2wbk n TRP 302 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wbk n GLY 303 N 0.53 0.65 3.79 6.99 0.00 -1.23 -4.81 105.19 111.10 2wbk n GLY 303 Ca 0.10 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 2wbk n GLY 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wbk s THR 304 N -1.21 4.97 -1.58 2.61 -4.23 -1.26 -4.70 115.64 110.23 2wbk s THR 304 Ca 0.00 1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 61.45 2wbk s THR 304 Cb 0.00 -3.83 -0.07 0.00 1.34 0.00 0.00 72.50 69.94 2wbk s THR 304 CO 0.00 0.48 2.82 -0.81 -0.54 0.00 0.00 174.62 176.58 2wbk n PRO 305 N 2.40 3.51 -1.68 3.99 -0.04 -1.23 -2.03 135.00 139.92 2wbk n PRO 305 Ca -0.10 -2.24 -0.44 0.00 -0.04 0.00 0.00 63.50 60.68 2wbk n PRO 305 Cb 0.51 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 2wbk n PRO 305 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wbk n THR 306 N 3.85 0.66 -3.88 0.52 -1.04 -1.26 -4.76 114.28 108.37 2wbk n THR 306 Ca 0.74 -0.17 -0.27 0.00 -2.04 0.00 0.00 64.05 62.31 2wbk n THR 306 Cb 0.25 -1.59 -0.17 0.00 -1.82 0.00 0.00 70.33 67.01 2wbk n THR 306 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wbk s LEU 307 N 0.27 1.27 0.54 -4.42 1.43 -1.26 -4.03 118.68 112.48 2wbk s LEU 307 Ca 0.71 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 2wbk s LEU 307 Cb -0.63 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 2wbk s LEU 307 CO 0.46 -0.15 1.04 -0.31 0.23 0.00 0.00 176.35 177.61 2wbk s TYR 308 N 1.71 3.06 -0.27 0.29 2.02 0.14 -4.73 117.35 119.57 2wbk s TYR 308 Ca 0.03 1.53 -0.09 0.00 -0.37 0.00 0.00 57.07 58.17 2wbk s TYR 308 Cb -0.14 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 2wbk s TYR 308 CO -0.08 -0.89 0.13 -0.51 -1.57 0.00 0.00 175.55 172.64 2wbk s ASP 309 N -2.52 5.56 -0.22 2.29 1.01 0.51 -0.56 116.67 122.74 2wbk s ASP 309 Ca 0.64 -0.18 -0.05 0.00 0.71 0.00 0.00 52.55 53.66 2wbk s ASP 309 Cb -0.15 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2wbk s ASP 309 CO 0.29 -0.07 0.01 -0.36 0.21 0.00 0.00 175.17 175.26 2wbk s PHE 310 N 1.67 3.04 -0.15 4.23 2.99 -0.74 -0.55 117.98 128.48 2wbk s PHE 310 Ca 0.06 -0.52 0.02 0.00 0.00 0.00 0.00 56.93 56.49 2wbk s PHE 310 Cb -0.16 -2.13 0.01 0.00 0.00 0.00 0.00 43.02 40.75 2wbk s PHE 310 CO 0.07 -0.32 -0.21 0.45 -0.00 0.00 0.00 175.22 175.22 2wbk s SER 311 N 1.24 3.02 -0.13 1.36 0.15 -0.07 -1.19 113.70 118.09 2wbk s SER 311 Ca 0.04 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.03 2wbk s SER 311 Cb -0.15 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 2wbk s SER 311 CO 0.01 0.05 0.10 0.00 1.20 0.00 0.00 173.24 174.60 2wbk s ALA 312 N 0.96 3.66 0.01 5.45 0.00 0.54 -1.28 121.76 131.10 2wbk s ALA 312 Ca -0.04 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2wbk s ALA 312 Cb -0.15 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2wbk s ALA 312 CO -0.05 0.51 -0.13 -0.65 0.00 0.00 0.00 175.76 175.45 2wbk s GLN 313 N -0.68 0.95 -0.31 0.00 -0.21 0.10 -1.07 119.66 118.44 2wbk s GLN 313 Ca 0.12 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 54.87 2wbk s GLN 313 Cb -0.12 -0.93 0.03 0.00 1.00 0.00 0.00 33.01 33.00 2wbk s GLN 313 CO 0.02 0.24 0.05 0.42 -2.12 0.00 0.00 175.29 173.91 2wbk s ILE 314 N -0.57 3.51 -0.13 1.08 -1.09 0.29 -0.82 121.20 123.47 2wbk s ILE 314 Ca 0.03 -1.06 -0.05 0.00 -2.23 0.00 0.00 60.65 57.34 2wbk s ILE 314 Cb -0.06 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2wbk s ILE 314 CO 0.00 -0.04 0.04 0.00 -1.23 0.00 0.00 174.94 173.71 2wbk s ALA 315 N 1.38 3.38 -0.33 9.38 0.00 0.51 -1.44 121.76 134.63 2wbk s ALA 315 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2wbk s ALA 315 Cb -0.19 -1.71 0.10 0.00 0.00 0.00 0.00 23.12 21.33 2wbk s ALA 315 CO 0.01 0.41 0.10 0.00 0.00 0.00 0.00 175.76 176.27 2wbk n GLY 317 N 4.54 2.68 0.03 0.00 0.00 -1.26 -2.32 105.19 108.86 2wbk n GLY 317 Ca 0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.08 2wbk n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wbk n ASP 318 N 9.76 0.60 -4.77 1.61 8.00 -1.26 -4.93 116.55 125.56 2wbk n ASP 318 Ca 0.00 -0.21 -0.38 0.00 0.71 0.00 0.00 54.79 54.91 2wbk n ASP 318 Cb 0.00 0.87 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 2wbk n ASP 318 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2wbk s ARG 319 N -3.22 4.15 -0.60 -1.24 0.52 -0.98 -5.02 118.95 112.56 2wbk s ARG 319 Ca 0.03 0.36 -0.26 0.00 -0.52 0.00 0.00 55.73 55.34 2wbk s ARG 319 Cb 0.14 -3.35 0.04 0.00 0.52 0.00 0.00 34.95 32.30 2wbk s ARG 319 CO 0.81 0.39 1.10 0.42 0.02 0.00 0.00 175.30 178.05 2wbk s ILE 320 N -0.11 4.12 -0.24 1.52 -1.09 -1.26 -1.07 121.20 123.07 2wbk s ILE 320 Ca 0.23 0.50 0.19 0.00 -2.23 0.00 0.00 60.65 59.34 2wbk s ILE 320 Cb -0.15 -4.69 0.08 0.00 -1.58 0.00 0.00 42.46 36.12 2wbk s ILE 320 CO 0.10 -1.36 1.28 -0.37 -1.23 0.00 0.00 174.94 173.35 2wbk h VAL 321 N 6.07 0.37 -2.41 2.92 -1.51 -1.58 -0.35 116.25 119.76 2wbk h VAL 321 Ca -0.26 -1.58 -0.07 0.00 -1.23 0.00 0.00 66.70 63.55 2wbk h VAL 321 Cb 1.06 2.03 -0.24 0.00 -2.13 0.00 0.00 31.29 32.01 2wbk h VAL 321 CO 1.17 0.21 -0.15 0.00 -1.23 0.00 0.00 177.57 177.57 2wbk s ALA 322 N -3.11 -1.36 0.04 5.19 0.00 -1.23 -4.43 121.76 116.87 2wbk s ALA 322 Ca 0.02 1.76 0.02 0.00 0.00 0.00 0.00 51.96 53.77 2wbk s ALA 322 Cb 0.08 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2wbk s ALA 322 CO 0.75 -0.29 -0.08 -2.00 0.00 0.00 0.00 175.76 174.14 2wbk s GLU 323 N 1.11 0.53 -0.09 0.00 -6.30 -1.26 -0.55 118.70 112.15 2wbk s GLU 323 Ca -0.07 -0.74 -0.11 0.00 -2.50 0.00 0.00 54.97 51.55 2wbk s GLU 323 Cb -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 34.13 33.80 2wbk s GLU 323 CO -0.10 0.05 0.28 -1.14 0.02 0.00 0.00 175.26 174.37 2wbk s GLN 324 N -1.54 0.40 0.14 4.30 2.00 -0.23 -4.93 119.66 119.79 2wbk s GLN 324 Ca -0.10 0.26 0.09 0.00 -2.00 0.00 0.00 55.36 53.62 2wbk s GLN 324 Cb -0.10 0.19 -0.04 0.00 0.80 0.00 0.00 33.01 33.86 2wbk s GLN 324 CO 0.00 -0.07 -0.22 -1.12 -0.50 0.00 0.00 175.29 173.38 2wbk s SER 325 N -0.18 2.91 0.04 6.67 0.01 -1.26 -0.34 113.70 121.56 2wbk s SER 325 Ca -0.03 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.49 2wbk s SER 325 Cb -0.03 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 2wbk s SER 325 CO 0.01 0.08 -0.11 -1.00 0.41 0.00 0.00 173.24 172.63 2wbk s HIS 326 N -1.44 0.91 0.04 2.43 3.76 -0.34 -5.01 115.29 115.65 2wbk s HIS 326 Ca 0.13 -0.41 -0.22 0.00 -0.15 0.00 0.00 55.06 54.41 2wbk s HIS 326 Cb -0.09 -0.53 -0.06 0.00 1.11 0.00 0.00 32.58 33.01 2wbk s HIS 326 CO 0.06 -0.01 0.64 1.03 -0.85 0.00 0.00 174.74 175.61 2wbk s ARG 327 N -1.34 4.36 -0.06 1.40 0.52 -1.26 -1.79 118.95 120.77 2wbk s ARG 327 Ca -0.04 0.85 0.01 0.00 -0.52 0.00 0.00 55.73 56.03 2wbk s ARG 327 Cb -0.09 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 32.09 2wbk s ARG 327 CO 0.01 0.44 -0.08 0.42 0.02 0.00 0.00 175.30 176.11 2wbk s ILE 328 N -0.50 0.83 -0.17 1.52 -1.09 0.28 -4.69 121.20 117.39 2wbk s ILE 328 Ca 0.33 -0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.41 2wbk s ILE 328 Cb -0.20 -0.81 -0.03 0.00 -1.58 0.00 0.00 42.46 39.84 2wbk s ILE 328 CO 0.20 0.30 0.01 -0.83 -1.23 0.00 0.00 174.94 173.39 2wbk s GLY 329 N 0.95 1.82 -0.33 6.18 0.00 -1.26 0.25 107.32 114.92 2wbk s GLY 329 Ca -0.10 -0.78 -0.19 0.00 0.00 0.00 0.00 44.72 43.65 2wbk s GLY 329 CO 0.00 -0.02 0.56 1.08 0.00 0.00 0.00 173.10 174.73 2wbk s LEU 330 N 0.34 4.25 -0.09 0.66 1.43 -1.26 -4.72 118.68 119.29 2wbk s LEU 330 Ca -0.00 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 2wbk s LEU 330 Cb -0.13 -2.68 0.12 0.00 0.03 0.00 0.00 46.19 43.53 2wbk s LEU 330 CO 0.02 -0.48 0.99 0.00 0.23 0.00 0.00 176.35 177.10 2wbk s ARG 331 N 2.50 0.63 -0.07 1.70 3.03 -1.26 -1.08 118.95 124.40 2wbk s ARG 331 Ca 0.21 -0.12 -0.02 0.00 2.03 0.00 0.00 55.73 57.83 2wbk s ARG 331 Cb -0.15 0.29 -0.04 0.00 -1.03 0.00 0.00 34.95 34.03 2wbk s ARG 331 CO 0.13 -0.25 0.04 0.95 -1.13 0.00 0.00 175.30 175.03 2wbk s THR 332 N -2.34 4.55 -0.06 4.99 -4.23 -1.26 -4.97 115.64 112.32 2wbk s THR 332 Ca 0.04 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2wbk s THR 332 Cb -0.01 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2wbk s THR 332 CO -0.05 0.55 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.84 2wbk s ILE 333 N -0.97 1.01 -0.05 2.99 1.01 -1.26 -0.86 121.20 123.07 2wbk s ILE 333 Ca 0.16 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 2wbk s ILE 333 Cb -0.12 -0.93 0.03 0.00 0.01 0.00 0.00 42.46 41.45 2wbk s ILE 333 CO 0.05 0.32 0.03 -0.60 0.00 0.00 0.00 174.94 174.75 2wbk s ARG 334 N 0.66 0.21 -0.25 2.79 3.52 -0.29 -4.94 118.95 120.64 2wbk s ARG 334 Ca -0.13 0.25 -0.21 0.00 -0.13 0.00 0.00 55.73 55.50 2wbk s ARG 334 Cb -0.15 -0.67 -0.02 0.00 -1.56 0.00 0.00 34.95 32.55 2wbk s ARG 334 CO 0.03 -0.30 0.67 0.08 -0.81 0.00 0.00 175.30 174.97 2wbk s VAL 335 N 1.96 4.96 -0.32 7.11 1.01 -1.26 -0.34 120.40 133.51 2wbk s VAL 335 Ca 0.03 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.11 2wbk s VAL 335 Cb -0.12 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2wbk s VAL 335 CO -0.04 0.01 0.25 -0.69 0.00 0.00 0.00 175.10 174.64 2wbk s VAL 336 N 2.52 5.27 -0.39 2.92 1.01 -0.07 -4.95 120.40 126.72 2wbk s VAL 336 Ca 0.28 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2wbk s VAL 336 Cb -0.15 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.68 2wbk s VAL 336 CO 0.08 0.06 0.22 0.21 0.00 0.00 0.00 175.10 175.67 2wbk s ASN 337 N 1.73 3.26 0.03 3.32 3.04 -1.26 -2.04 114.94 123.03 2wbk s ASN 337 Ca 0.07 -2.38 0.02 0.00 0.04 0.00 0.00 52.86 50.61 2wbk s ASN 337 Cb -0.17 -0.68 -0.02 0.00 -1.54 0.00 0.00 41.25 38.84 2wbk s ASN 337 CO 0.11 -0.29 -0.06 -1.61 -3.04 0.00 0.00 177.10 172.21 2wbk s GLU 338 N 0.75 0.44 0.24 0.43 2.02 -1.25 -4.91 118.70 116.43 2wbk s GLU 338 Ca 0.18 -0.63 -0.31 0.00 0.02 0.00 0.00 54.97 54.23 2wbk s GLU 338 Cb -0.23 -0.20 -0.11 0.00 0.10 0.00 0.00 34.13 33.68 2wbk s GLU 338 CO 0.01 0.03 1.63 0.15 0.02 0.00 0.00 175.26 177.10 2wbk s LYS 339 N -1.32 4.15 0.21 1.61 3.01 -1.26 -0.07 119.74 126.07 2wbk s LYS 339 Ca -0.10 2.54 -0.01 0.00 -1.01 0.00 0.00 55.97 57.39 2wbk s LYS 339 Cb -0.09 -3.07 0.01 0.00 -1.01 0.00 0.00 37.83 33.67 2wbk s LYS 339 CO -0.00 -0.66 0.30 -0.40 0.51 0.00 0.00 175.35 175.10 2wbk n ASP 340 N 3.10 -0.83 0.24 2.83 5.68 -0.45 -4.87 116.55 122.25 2wbk n ASP 340 Ca 0.12 -2.13 0.15 0.00 -0.50 0.00 0.00 54.79 52.43 2wbk n ASP 340 Cb 0.37 1.55 0.83 0.00 -1.14 0.00 0.00 41.12 42.73 2wbk n ASP 340 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2wbk h LYS 341 N 0.00 0.00 0.00 0.11 2.10 -2.00 -2.19 116.57 114.59 2wbk h LYS 341 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2wbk h LYS 341 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2wbk h LYS 341 CO 0.22 0.00 -1.10 -0.25 -2.00 0.00 0.00 179.45 176.32 2wbk n ASP 342 N -3.95 0.88 0.00 7.07 8.00 -1.26 -5.05 116.55 122.24 2wbk n ASP 342 Ca -0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.61 2wbk n ASP 342 Cb 0.21 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.42 2wbk n ASP 342 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbk n GLY 343 N 1.47 0.17 2.86 0.44 0.00 -0.82 -4.51 105.19 104.79 2wbk n GLY 343 Ca 0.03 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 2wbk n GLY 343 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wbk s GLU 344 N 0.00 0.92 0.98 1.61 2.02 0.95 -1.34 118.70 123.83 2wbk s GLU 344 Ca 0.00 -0.07 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 2wbk s GLU 344 Cb 0.00 -1.05 0.18 0.00 0.10 0.00 0.00 34.13 33.36 2wbk s GLU 344 CO 0.00 -0.19 1.08 -1.54 0.02 0.00 0.00 175.26 174.63 2wbk s SER 345 N 1.44 2.66 -0.34 -0.19 1.04 0.90 -0.44 113.70 118.77 2wbk s SER 345 Ca -0.02 1.56 0.05 0.00 0.48 0.00 0.00 55.95 58.02 2wbk s SER 345 Cb -0.13 -2.23 0.19 0.00 0.10 0.00 0.00 66.02 63.95 2wbk s SER 345 CO -0.03 -3.16 0.66 0.12 0.98 0.00 0.00 173.24 171.81 2wbk s PHE 346 N -2.78 -1.63 0.21 5.02 5.36 -1.21 -3.79 117.98 119.16 2wbk s PHE 346 Ca 0.65 0.62 -0.14 0.00 -0.96 0.00 0.00 56.93 57.10 2wbk s PHE 346 Cb -0.20 0.29 0.01 0.00 -0.34 0.00 0.00 43.02 42.77 2wbk s PHE 346 CO 0.59 -1.02 0.46 1.52 -1.46 0.00 0.00 175.22 175.30 2wbk s TYR 347 N 2.36 0.15 -0.11 10.12 -0.85 -0.86 -4.56 117.35 123.61 2wbk s TYR 347 Ca 0.14 -0.51 -0.00 0.00 -0.52 0.00 0.00 57.07 56.17 2wbk s TYR 347 Cb -0.06 0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 2wbk s TYR 347 CO -0.17 -0.91 -0.10 -0.06 -1.52 0.00 0.00 175.55 172.79 2wbk s PHE 348 N -3.94 2.86 -0.20 -3.49 0.08 -1.26 -0.89 117.98 111.14 2wbk s PHE 348 Ca 0.15 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 2wbk s PHE 348 Cb -0.00 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2wbk s PHE 348 CO 0.02 -0.02 -0.06 -2.00 -0.10 0.00 0.00 175.22 173.05 2wbk s GLU 349 N -0.00 3.39 -0.13 0.44 2.12 0.54 -0.80 118.70 124.26 2wbk s GLU 349 Ca -0.02 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.69 2wbk s GLU 349 Cb -0.14 -2.92 0.01 0.00 0.26 0.00 0.00 34.13 31.34 2wbk s GLU 349 CO 0.04 -0.09 -0.18 0.08 -0.54 0.00 0.00 175.26 174.56 2wbk s VAL 350 N 1.18 1.75 -1.62 3.70 1.01 0.53 -1.14 120.40 125.82 2wbk s VAL 350 Ca 0.02 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 2wbk s VAL 350 Cb -0.14 -1.58 0.18 0.00 0.00 0.00 0.00 36.38 34.84 2wbk s VAL 350 CO -0.02 0.49 0.62 0.59 0.00 0.00 0.00 175.10 176.78 2wbk n ASN 351 N 4.18 -2.54 0.00 3.32 3.02 -0.04 -1.45 115.26 121.76 2wbk n ASN 351 Ca -0.19 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 2wbk n ASN 351 Cb 0.51 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.54 2wbk n ASN 351 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbk n GLY 352 N -1.15 0.72 3.27 7.41 0.00 -1.26 -4.99 105.19 109.19 2wbk n GLY 352 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2wbk n GLY 352 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wbk s ILE 353 N -2.53 2.21 0.15 -0.61 1.01 -0.53 -5.07 121.20 115.83 2wbk s ILE 353 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.35 2wbk s ILE 353 Cb 0.00 -1.84 -0.10 0.00 0.01 0.00 0.00 42.46 40.53 2wbk s ILE 353 CO 0.00 0.56 1.63 -2.84 0.00 0.00 0.00 174.94 174.29 2wbk s PRO 354 N 0.11 4.19 -0.24 2.79 0.02 -1.26 -0.34 135.00 140.27 2wbk s PRO 354 Ca -0.11 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.31 2wbk s PRO 354 Cb -0.16 -3.27 0.03 0.00 0.02 0.00 0.00 34.50 31.12 2wbk s PRO 354 CO 0.06 -0.67 -0.10 1.41 -0.33 0.00 0.00 177.00 177.37 2wbk s MET 355 N 1.60 2.72 0.01 5.54 1.75 0.01 -4.91 119.30 126.02 2wbk s MET 355 Ca 0.72 -1.04 -0.30 0.00 -1.25 0.00 0.00 55.69 53.82 2wbk s MET 355 Cb -0.44 -2.88 -0.07 0.00 2.84 0.00 0.00 34.83 34.28 2wbk s MET 355 CO 0.32 -0.41 1.66 0.12 -0.65 0.00 0.00 175.02 176.07 2wbk s PHE 356 N 1.26 2.16 0.13 4.11 5.36 -1.26 -4.35 117.98 125.40 2wbk s PHE 356 Ca -0.01 0.23 -0.22 0.00 -0.96 0.00 0.00 56.93 55.97 2wbk s PHE 356 Cb -0.17 -3.95 -0.07 0.00 -0.34 0.00 0.00 43.02 38.49 2wbk s PHE 356 CO -0.06 -3.92 0.68 0.00 -1.46 0.00 0.00 175.22 170.46 2wbk s ALA 357 N 3.36 3.51 -0.12 11.12 0.00 -0.89 -4.95 121.76 133.79 2wbk s ALA 357 Ca 0.74 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 2wbk s ALA 357 Cb -0.37 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.00 2wbk s ALA 357 CO 0.32 0.35 0.08 0.15 0.00 0.00 0.00 175.76 176.65 2wbk s LYS 358 N -1.22 0.01 0.00 0.00 1.02 -1.26 -1.13 119.74 117.16 2wbk s LYS 358 Ca 0.33 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.44 2wbk s LYS 358 Cb -0.21 -1.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.83 2wbk s LYS 358 CO 0.23 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 2wbk n GLY 359 N 5.29 -0.90 3.85 -3.33 0.00 -0.98 -0.12 105.19 109.00 2wbk n GLY 359 Ca -0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 2wbk n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbk s ALA 360 N -1.00 -1.23 -0.08 4.61 0.00 -1.17 -2.55 121.76 120.34 2wbk s ALA 360 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 2wbk s ALA 360 Cb 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 2wbk s ALA 360 CO 0.00 -1.04 0.53 -0.80 0.00 0.00 0.00 175.76 174.45 2wbk s ASN 361 N -2.94 6.79 -0.15 0.00 0.01 0.10 -1.51 114.94 117.25 2wbk s ASN 361 Ca 0.12 0.95 -0.06 0.00 -0.71 0.00 0.00 52.86 53.15 2wbk s ASN 361 Cb -0.05 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 2wbk s ASN 361 CO 0.07 0.03 0.07 -0.47 -1.51 0.00 0.00 177.10 175.28 2wbk s TYR 362 N 0.37 3.30 0.41 2.20 5.04 0.17 -0.49 117.35 128.36 2wbk s TYR 362 Ca 0.28 0.19 0.07 0.00 -2.44 0.00 0.00 57.07 55.18 2wbk s TYR 362 Cb -0.16 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.11 2wbk s TYR 362 CO 0.13 0.33 0.28 0.96 -1.34 0.00 0.00 175.55 175.91 2wbk s ILE 363 N -0.14 2.49 0.37 3.14 -4.36 -1.26 -2.70 121.20 118.74 2wbk s ILE 363 Ca 0.07 -1.52 -0.27 0.00 -0.26 0.00 0.00 60.65 58.67 2wbk s ILE 363 Cb -0.12 -3.00 -0.11 0.00 1.25 0.00 0.00 42.46 40.47 2wbk s ILE 363 CO 0.01 -0.00 1.29 -2.65 0.24 0.00 0.00 174.94 173.82 2wbk n PRO 364 N -1.39 2.08 0.00 0.37 -0.02 -1.26 -4.90 135.00 129.88 2wbk n PRO 364 Ca 0.01 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.37 2wbk n PRO 364 Cb 0.63 -2.35 0.70 0.00 -0.02 0.00 0.00 33.50 32.46 2wbk n PRO 364 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wbk n GLN 365 N 0.39 0.31 -3.68 -0.52 6.02 -1.26 -3.37 117.38 115.27 2wbk n GLN 365 Ca 0.05 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 2wbk n GLN 365 Cb 0.37 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 2wbk n GLN 365 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2wbk s ASP 366 N -2.70 -0.47 0.57 1.08 -1.08 -1.25 -4.37 116.67 108.45 2wbk s ASP 366 Ca 0.24 0.72 0.27 0.00 -0.52 0.00 0.00 52.55 53.26 2wbk s ASP 366 Cb 0.20 0.76 1.54 0.00 -1.46 0.00 0.00 42.92 43.95 2wbk s ASP 366 CO 0.49 -0.33 2.05 0.00 0.52 0.00 0.00 175.17 177.90 2wbk h ALA 367 N 4.51 2.04 -3.60 3.66 0.00 -1.58 -3.35 119.26 120.94 2wbk h ALA 367 Ca -0.28 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 2wbk h ALA 367 Cb 1.17 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.58 2wbk h ALA 367 CO 0.28 -0.42 -0.69 -0.51 0.00 0.00 0.00 179.25 177.91 2wbk s LEU 368 N -7.97 4.73 0.25 0.00 1.43 -1.26 -4.96 118.68 110.91 2wbk s LEU 368 Ca -0.05 -2.30 -0.03 0.00 -1.03 0.00 0.00 54.13 50.72 2wbk s LEU 368 Cb 0.16 -1.65 0.50 0.00 0.03 0.00 0.00 46.19 45.23 2wbk s LEU 368 CO 0.60 -0.37 1.72 -0.07 0.23 0.00 0.00 176.35 178.47 2wbk h LEU 369 N 7.45 0.27 0.00 1.79 3.38 -1.97 0.18 115.31 126.41 2wbk h LEU 369 Ca -0.05 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wbk h LEU 369 Cb 1.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2wbk h LEU 369 CO 0.56 0.08 0.00 -2.65 0.09 0.00 0.00 178.44 176.52 2wbk n PRO 370 N -5.02 0.17 0.09 1.13 -0.02 -1.26 -1.65 135.00 128.44 2wbk n PRO 370 Ca 0.15 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 2wbk n PRO 370 Cb 0.45 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.89 2wbk n PRO 370 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wbk n ASN 371 N -1.37 0.58 -4.69 2.55 4.13 0.05 -4.79 115.26 111.72 2wbk n ASN 371 Ca 0.07 0.59 -0.42 0.00 1.68 0.00 0.00 54.58 56.50 2wbk n ASN 371 Cb 0.18 -0.74 -0.03 0.00 -1.54 0.00 0.00 39.78 37.66 2wbk n ASN 371 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wbk s VAL 372 N -3.16 4.60 0.43 2.41 1.01 -0.66 -5.00 120.40 120.03 2wbk s VAL 372 Ca 0.08 1.87 0.01 0.00 0.00 0.00 0.00 61.98 63.94 2wbk s VAL 372 Cb 0.12 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2wbk s VAL 372 CO 0.48 0.05 0.65 0.42 0.00 0.00 0.00 175.10 176.69 2wbk s THR 373 N 1.77 4.13 0.22 3.92 -4.23 -1.26 -4.93 115.64 115.25 2wbk s THR 373 Ca 0.52 -0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 2wbk s THR 373 Cb -0.22 -3.52 0.18 0.00 1.34 0.00 0.00 72.50 70.28 2wbk s THR 373 CO 0.22 -0.36 1.71 0.74 -0.54 0.00 0.00 174.62 176.39 2wbk h THR 374 N 0.46 0.63 -0.56 3.99 2.02 -1.99 -1.72 112.91 115.75 2wbk h THR 374 Ca -0.46 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2wbk h THR 374 Cb 1.25 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2wbk h THR 374 CO 0.57 0.05 0.24 -0.08 0.37 0.00 0.00 175.52 176.68 2wbk h GLU 375 N 0.28 0.82 -0.63 6.66 4.81 -1.98 -1.33 114.58 123.21 2wbk h GLU 375 Ca 0.34 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 2wbk h GLU 375 Cb 0.51 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 2wbk h GLU 375 CO -0.41 0.69 0.36 0.00 -0.73 0.00 0.00 179.01 178.92 2wbk h ARG 376 N 0.76 0.67 0.32 1.92 3.08 -1.81 0.19 114.38 119.50 2wbk h ARG 376 Ca 0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2wbk h ARG 376 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2wbk h ARG 376 CO -0.02 0.44 -0.34 1.88 -1.07 0.00 0.00 179.97 180.86 2wbk h TYR 377 N 0.69 -0.92 -0.63 3.04 0.05 -0.98 -0.63 116.97 117.59 2wbk h TYR 377 Ca 0.27 0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.19 2wbk h TYR 377 Cb 0.11 0.36 -0.11 0.00 1.01 0.00 0.00 36.73 38.10 2wbk h TYR 377 CO -0.07 -0.48 -0.07 1.96 -1.05 0.00 0.00 178.16 178.46 2wbk h GLN 378 N -0.69 0.06 -0.65 4.88 4.20 -0.95 -2.03 115.11 119.92 2wbk h GLN 378 Ca -0.02 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2wbk h GLN 378 Cb 0.63 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 2wbk h GLN 378 CO -0.08 0.04 0.12 1.15 -0.67 0.00 0.00 178.83 179.39 2wbk h THR 379 N 0.06 1.26 -0.74 -0.54 2.02 -0.47 -2.01 112.91 112.49 2wbk h THR 379 Ca 0.32 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.51 2wbk h THR 379 Cb 0.51 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2wbk h THR 379 CO -0.59 0.38 0.48 0.25 0.37 0.00 0.00 175.52 176.41 2wbk h LEU 380 N 0.99 0.81 -0.94 2.58 5.85 -0.51 0.24 115.31 124.33 2wbk h LEU 380 Ca 0.20 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2wbk h LEU 380 Cb 0.42 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2wbk h LEU 380 CO 0.01 0.57 -0.17 -0.26 -0.34 0.00 0.00 178.44 178.25 2wbk h PHE 381 N 0.96 0.63 -0.89 1.25 -1.00 -1.16 -1.57 116.94 115.16 2wbk h PHE 381 Ca 0.28 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.95 2wbk h PHE 381 Cb -0.05 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 2wbk h PHE 381 CO -0.03 0.72 0.59 -0.09 -1.61 0.00 0.00 178.31 177.89 2wbk h ARG 382 N 0.52 1.18 -0.41 1.51 2.43 -0.78 0.10 114.38 118.93 2wbk h ARG 382 Ca 0.09 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2wbk h ARG 382 Cb 0.59 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2wbk h ARG 382 CO 0.04 0.78 0.20 -0.44 -1.51 0.00 0.00 179.97 179.04 2wbk h ASP 383 N 1.21 0.54 -0.20 -3.80 3.32 -0.03 0.11 116.42 117.56 2wbk h ASP 383 Ca 0.33 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2wbk h ASP 383 Cb -0.14 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2wbk h ASP 383 CO -0.07 0.51 0.03 0.24 -1.72 0.00 0.00 179.24 178.23 2wbk h MET 384 N 0.52 0.34 -0.38 3.56 2.86 -1.24 -2.36 114.93 118.23 2wbk h MET 384 Ca 0.14 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2wbk h MET 384 Cb 0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2wbk h MET 384 CO -0.02 0.49 0.18 -0.22 1.06 0.00 0.00 176.91 178.41 2wbk h LYS 385 N 0.13 0.55 0.00 1.72 3.64 -0.46 -2.36 116.57 119.78 2wbk h LYS 385 Ca 0.06 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2wbk h LYS 385 Cb 0.32 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2wbk h LYS 385 CO 0.00 0.49 -0.04 0.93 -2.27 0.00 0.00 179.45 178.57 2wbk h GLU 386 N 0.48 0.00 -0.36 1.90 5.08 -0.85 -0.38 114.58 120.44 2wbk h GLU 386 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wbk h GLU 386 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wbk h GLU 386 CO -0.02 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2wbk n ALA 387 N -2.12 2.55 -1.91 3.43 0.00 -0.89 -4.87 120.51 116.70 2wbk n ALA 387 Ca -0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 2wbk n ALA 387 Cb 0.28 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 2wbk n ALA 387 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wbk n ASN 388 N 0.21 -4.18 -4.83 0.00 3.02 -0.15 -3.99 115.26 105.33 2wbk n ASN 388 Ca 0.08 0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.42 2wbk n ASN 388 Cb 0.27 -3.15 -0.06 0.00 -0.61 0.00 0.00 39.78 36.23 2wbk n ASN 388 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wbk s MET 389 N -4.03 4.09 0.00 3.52 -1.94 -1.03 -4.86 119.30 115.05 2wbk s MET 389 Ca 0.00 0.96 0.00 0.00 -1.71 0.00 0.00 55.69 54.94 2wbk s MET 389 Cb 0.00 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.62 2wbk s MET 389 CO 0.00 -0.06 0.75 0.27 -0.01 0.00 0.00 175.02 175.96 2wbk n ASN 390 N -0.88 1.03 -3.74 3.03 0.23 0.83 -4.69 115.26 111.07 2wbk n ASN 390 Ca 0.06 -1.51 -0.13 0.00 -0.53 0.00 0.00 54.58 52.47 2wbk n ASN 390 Cb 0.54 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.15 2wbk n ASN 390 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2wbk s MET 391 N -0.51 0.58 0.02 -3.83 0.00 -1.03 -1.06 119.30 113.47 2wbk s MET 391 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 55.69 55.86 2wbk s MET 391 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 34.83 35.08 2wbk s MET 391 CO 0.00 -0.13 -0.10 0.54 0.00 0.00 0.00 175.02 175.33 2wbk s VAL 392 N -0.64 0.76 -0.21 10.11 0.11 0.63 -3.05 120.40 128.11 2wbk s VAL 392 Ca -0.07 -0.67 -0.07 0.00 -2.93 0.00 0.00 61.98 58.24 2wbk s VAL 392 Cb -0.04 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2wbk s VAL 392 CO 0.03 0.03 0.06 -0.60 -3.33 0.00 0.00 175.10 171.29 2wbk s ARG 393 N -0.72 3.79 -0.71 1.54 3.52 -0.57 -1.34 118.95 124.46 2wbk s ARG 393 Ca 0.00 -0.43 -0.22 0.00 -0.13 0.00 0.00 55.73 54.96 2wbk s ARG 393 Cb -0.06 -3.25 0.08 0.00 -1.56 0.00 0.00 34.95 30.16 2wbk s ARG 393 CO 0.00 0.04 1.01 0.42 -0.81 0.00 0.00 175.30 175.96 2wbk s ILE 394 N 1.00 4.37 0.36 4.11 1.01 0.94 0.43 121.20 133.41 2wbk s ILE 394 Ca 0.04 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 59.86 2wbk s ILE 394 Cb -0.14 -4.71 -0.10 0.00 0.01 0.00 0.00 42.46 37.52 2wbk s ILE 394 CO 0.03 -1.48 1.27 0.86 0.00 0.00 0.00 174.94 175.61 2wbk s TRP 395 N 3.90 3.04 -2.00 3.97 -0.00 -1.10 -2.04 118.94 124.72 2wbk s TRP 395 Ca 0.24 1.46 0.06 0.00 -0.00 0.00 0.00 56.10 57.87 2wbk s TRP 395 Cb -0.14 -3.60 0.36 0.00 -0.00 0.00 0.00 33.47 30.09 2wbk s TRP 395 CO 0.07 -1.72 0.88 0.41 -0.00 0.00 0.00 176.95 176.59 2wbk n GLY 396 N 0.78 -0.58 0.54 5.86 0.00 -1.26 -2.77 105.19 107.76 2wbk n GLY 396 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2wbk n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbk n GLY 397 N 0.11 0.20 0.00 -0.02 0.00 -1.26 -1.72 105.19 102.50 2wbk n GLY 397 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2wbk n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbk n GLY 398 N 1.17 1.06 3.19 -0.02 0.00 -1.12 -0.68 105.19 108.80 2wbk n GLY 398 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2wbk n GLY 398 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wbk s THR 399 N 2.82 0.71 -0.17 2.61 -4.23 -1.26 -4.14 115.64 111.97 2wbk s THR 399 Ca 0.00 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.26 2wbk s THR 399 Cb 0.00 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 2wbk s THR 399 CO 0.00 -0.74 1.87 -0.31 -0.54 0.00 0.00 174.62 174.90 2wbk s TYR 400 N -3.62 1.64 0.86 3.99 2.02 -1.26 -4.95 117.35 116.02 2wbk s TYR 400 Ca 0.16 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.08 2wbk s TYR 400 Cb 0.05 -4.04 0.11 0.00 -0.40 0.00 0.00 41.96 37.69 2wbk s TYR 400 CO -0.02 -3.84 1.10 -1.21 -1.57 0.00 0.00 175.55 170.01 2wbk s GLU 401 N 5.17 1.52 1.00 -0.62 0.41 -1.26 -4.99 118.70 119.93 2wbk s GLU 401 Ca 0.84 1.10 -0.12 0.00 -0.41 0.00 0.00 54.97 56.38 2wbk s GLU 401 Cb -0.31 -1.82 0.19 0.00 -1.78 0.00 0.00 34.13 30.41 2wbk s GLU 401 CO 0.34 -2.14 1.08 0.54 -0.49 0.00 0.00 175.26 174.59 2wbk s ASN 402 N -3.22 2.56 0.32 -0.19 4.22 -1.26 -4.90 114.94 112.46 2wbk s ASN 402 Ca 0.63 1.36 0.04 0.00 -2.14 0.00 0.00 52.86 52.76 2wbk s ASN 402 Cb -0.19 -2.05 0.65 0.00 1.28 0.00 0.00 41.25 40.95 2wbk s ASN 402 CO 0.57 -3.20 1.87 0.78 -2.04 0.00 0.00 177.10 175.09 2wbk h ASN 403 N -1.94 0.81 -0.80 3.54 2.35 -1.98 -2.33 115.58 115.25 2wbk h ASN 403 Ca -0.54 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.29 2wbk h ASN 403 Cb 1.32 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.50 2wbk h ASN 403 CO 0.55 0.45 0.50 0.25 -1.65 0.00 0.00 177.43 177.53 2wbk h LEU 404 N 0.88 0.80 -0.34 1.61 5.85 -1.99 -1.18 115.31 120.95 2wbk h LEU 404 Ca 0.44 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.21 2wbk h LEU 404 Cb 0.49 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2wbk h LEU 404 CO -0.21 0.54 0.11 0.15 -0.34 0.00 0.00 178.44 178.69 2wbk h PHE 405 N 0.94 0.19 -0.22 1.25 3.57 -1.77 -0.52 116.94 120.40 2wbk h PHE 405 Ca 0.33 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.71 2wbk h PHE 405 Cb 0.08 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2wbk h PHE 405 CO -0.04 0.08 -0.46 1.88 -2.23 0.00 0.00 178.31 177.54 2wbk h TYR 406 N 0.25 0.67 -0.82 0.41 0.05 -1.55 -1.62 116.97 114.35 2wbk h TYR 406 Ca 0.15 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 2wbk h TYR 406 Cb 0.14 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2wbk h TYR 406 CO -0.15 0.91 0.44 -0.44 -1.05 0.00 0.00 178.16 177.88 2wbk h ASP 407 N 0.44 1.03 -0.25 3.88 3.32 -0.80 0.06 116.42 124.10 2wbk h ASP 407 Ca 0.03 -0.09 -0.19 0.00 0.02 0.00 0.00 57.03 56.79 2wbk h ASP 407 Cb 0.98 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2wbk h ASP 407 CO 0.09 0.83 -0.59 -0.07 -1.72 0.00 0.00 179.24 177.78 2wbk h LEU 408 N 1.15 0.95 -1.07 1.55 3.38 -0.91 -1.98 115.31 118.39 2wbk h LEU 408 Ca 0.29 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2wbk h LEU 408 Cb 0.04 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2wbk h LEU 408 CO -0.05 1.34 0.63 0.00 0.09 0.00 0.00 178.44 180.45 2wbk h ALA 409 N 0.64 1.38 0.12 1.53 0.00 -1.17 -0.83 119.26 120.93 2wbk h ALA 409 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wbk h ALA 409 Cb 1.21 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2wbk h ALA 409 CO 0.13 0.53 -0.21 -0.44 0.00 0.00 0.00 179.25 179.26 2wbk h ASP 410 N 1.21 -0.58 0.35 0.00 3.32 -0.43 -1.60 116.42 118.69 2wbk h ASP 410 Ca 0.38 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2wbk h ASP 410 Cb -0.01 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2wbk h ASP 410 CO -0.11 -0.29 -0.10 -1.84 -1.72 0.00 0.00 179.24 175.17 2wbk n GLU 411 N -5.33 0.71 -0.12 3.56 0.28 -0.79 -3.06 120.64 115.88 2wbk n GLU 411 Ca -0.07 -0.24 0.08 0.00 -0.16 0.00 0.00 57.16 56.78 2wbk n GLU 411 Cb 0.25 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.76 2wbk n GLU 411 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2wbk n ASN 412 N -0.94 2.79 -1.51 -1.84 3.02 -0.33 -4.83 115.26 111.62 2wbk n ASN 412 Ca 0.15 -1.82 -0.14 0.00 -0.03 0.00 0.00 54.58 52.74 2wbk n ASN 412 Cb 0.27 -0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2wbk n ASN 412 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbk n GLY 413 N 0.91 0.00 3.52 7.41 0.00 -0.74 -4.27 105.19 112.01 2wbk n GLY 413 Ca 0.13 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2wbk n GLY 413 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wbk s ILE 414 N -2.67 5.22 0.39 -0.61 -1.09 -0.68 -0.22 121.20 121.54 2wbk s ILE 414 Ca 0.00 -0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 57.91 2wbk s ILE 414 Cb 0.00 -3.83 -0.10 0.00 -1.58 0.00 0.00 42.46 36.96 2wbk s ILE 414 CO 0.00 -0.14 1.39 -0.76 -1.23 0.00 0.00 174.94 174.20 2wbk s LEU 415 N 1.85 4.28 -0.15 2.97 1.02 -0.22 -4.58 118.68 123.85 2wbk s LEU 415 Ca 0.08 2.85 0.01 0.00 0.02 0.00 0.00 54.13 57.09 2wbk s LEU 415 Cb -0.17 -3.77 0.01 0.00 0.02 0.00 0.00 46.19 42.28 2wbk s LEU 415 CO 0.11 -0.84 -0.19 -0.69 0.02 0.00 0.00 176.35 174.76 2wbk s VAL 416 N -1.17 2.31 -0.37 -1.59 1.01 0.05 -0.27 120.40 120.37 2wbk s VAL 416 Ca 0.54 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2wbk s VAL 416 Cb -0.42 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2wbk s VAL 416 CO 0.56 0.53 0.51 0.86 0.00 0.00 0.00 175.10 177.56 2wbk s TRP 417 N 0.92 3.17 -0.44 5.22 -0.11 -0.45 -0.68 118.94 126.56 2wbk s TRP 417 Ca -0.04 0.07 -0.12 0.00 1.22 0.00 0.00 56.10 57.23 2wbk s TRP 417 Cb -0.15 -2.95 0.07 0.00 -1.50 0.00 0.00 33.47 28.94 2wbk s TRP 417 CO -0.03 -0.58 0.32 -1.14 -4.62 0.00 0.00 176.95 170.89 2wbk s GLN 418 N 2.38 2.81 0.42 5.86 2.00 -0.66 -0.04 119.66 132.42 2wbk s GLN 418 Ca 0.18 -1.36 -0.25 0.00 -2.00 0.00 0.00 55.36 51.93 2wbk s GLN 418 Cb -0.16 -3.94 -0.08 0.00 0.80 0.00 0.00 33.01 29.63 2wbk s GLN 418 CO 0.14 -0.95 1.23 -0.51 -0.50 0.00 0.00 175.29 174.69 2wbk s ASP 419 N 2.26 6.31 0.91 6.67 1.11 -0.86 -1.83 116.67 131.24 2wbk s ASP 419 Ca 0.03 2.48 -0.12 0.00 0.18 0.00 0.00 52.55 55.13 2wbk s ASP 419 Cb -0.23 -2.62 0.14 0.00 1.07 0.00 0.00 42.92 41.28 2wbk s ASP 419 CO 0.05 -0.84 1.09 -0.36 1.18 0.00 0.00 175.17 176.29 2wbk s PHE 420 N -1.37 2.25 -1.28 4.23 0.08 0.12 -4.71 117.98 117.30 2wbk s PHE 420 Ca 0.59 1.25 -0.07 0.00 0.12 0.00 0.00 56.93 58.82 2wbk s PHE 420 Cb -0.34 -3.17 0.16 0.00 -0.57 0.00 0.00 43.02 39.10 2wbk s PHE 420 CO 0.42 -2.50 2.10 -1.33 -0.10 0.00 0.00 175.22 173.81 2wbk n MET 421 N -3.95 4.21 -4.14 0.44 2.81 -1.26 -4.26 117.12 110.97 2wbk n MET 421 Ca 0.07 -3.60 -0.21 0.00 -1.81 0.00 0.00 57.70 52.15 2wbk n MET 421 Cb 0.55 -2.74 -0.16 0.00 -0.71 0.00 0.00 33.22 30.15 2wbk n MET 421 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2wbk s PHE 422 N -0.71 0.81 -0.15 2.03 0.08 -0.70 -4.86 117.98 114.48 2wbk s PHE 422 Ca 0.46 -0.24 -0.08 0.00 0.12 0.00 0.00 56.93 57.19 2wbk s PHE 422 Cb 0.14 -0.72 0.06 0.00 -0.57 0.00 0.00 43.02 41.92 2wbk s PHE 422 CO -0.04 -0.22 0.35 0.00 -0.10 0.00 0.00 175.22 175.21 2wbk s ALA 423 N 1.04 -0.88 0.00 5.36 0.00 -1.26 -1.43 121.76 124.60 2wbk s ALA 423 Ca -0.09 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2wbk s ALA 423 Cb -0.14 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2wbk s ALA 423 CO -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.46 2wbk s THR 425 N -1.97 0.06 0.82 0.00 -1.32 -1.26 -4.83 115.64 107.13 2wbk s THR 425 Ca 0.00 -0.47 -0.11 0.00 -1.21 0.00 0.00 61.69 59.90 2wbk s THR 425 Cb 0.00 -0.74 0.09 0.00 -1.51 0.00 0.00 72.50 70.33 2wbk s THR 425 CO 0.00 -0.26 1.10 -2.16 -2.21 0.00 0.00 174.62 171.09 2wbk s PRO 426 N -1.66 1.84 0.21 7.08 0.04 -1.26 -4.87 135.00 136.39 2wbk s PRO 426 Ca -0.11 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.10 2wbk s PRO 426 Cb -0.03 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2wbk s PRO 426 CO 0.03 -1.91 -0.11 0.71 0.04 0.00 0.00 177.00 175.75 2wbk s TYR 427 N -2.88 1.64 0.91 0.56 2.02 -1.26 -4.85 117.35 113.49 2wbk s TYR 427 Ca 0.62 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 56.56 2wbk s TYR 427 Cb -0.18 -0.82 0.14 0.00 -0.40 0.00 0.00 41.96 40.70 2wbk s TYR 427 CO 0.57 0.26 1.11 -2.30 -1.57 0.00 0.00 175.55 173.61 2wbk n PRO 428 N -0.38 -0.40 -1.11 -1.71 -0.02 -1.26 -4.83 135.00 125.30 2wbk n PRO 428 Ca -0.08 -0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.37 2wbk n PRO 428 Cb 0.61 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2wbk n PRO 428 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wbk n SER 429 N -3.98 0.39 -4.78 2.55 3.41 -1.26 -4.90 113.62 105.05 2wbk n SER 429 Ca 0.12 -1.93 -0.31 0.00 -0.26 0.00 0.00 58.87 56.49 2wbk n SER 429 Cb 0.52 -0.17 0.09 0.00 -0.26 0.00 0.00 64.21 64.39 2wbk n SER 429 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2wbk s ASP 430 N -1.46 4.57 0.29 4.04 -4.77 -1.26 -4.76 116.67 113.32 2wbk s ASP 430 Ca 0.18 1.62 0.03 0.00 -3.30 0.00 0.00 52.55 51.08 2wbk s ASP 430 Cb 0.21 -2.37 0.62 0.00 -1.09 0.00 0.00 42.92 40.29 2wbk s ASP 430 CO -0.09 -1.96 1.82 -0.65 0.70 0.00 0.00 175.17 174.99 2wbk h PRO 431 N -1.08 0.89 0.24 2.11 0.11 -1.99 -1.24 132.00 131.04 2wbk h PRO 431 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2wbk h PRO 431 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2wbk h PRO 431 CO 0.55 0.59 -0.12 1.15 -0.21 0.00 0.00 178.00 179.96 2wbk h THR 432 N 0.92 0.80 -0.74 -1.15 2.02 -2.00 -1.59 112.91 111.16 2wbk h THR 432 Ca 0.52 -0.74 0.14 0.00 0.77 0.00 0.00 66.41 67.09 2wbk h THR 432 Cb 0.62 1.19 -0.09 0.00 -1.74 0.00 0.00 68.15 68.12 2wbk h THR 432 CO -0.29 0.15 0.30 0.15 0.37 0.00 0.00 175.52 176.20 2wbk h PHE 433 N -0.73 0.52 -0.57 3.16 3.57 -1.88 -2.06 116.94 118.96 2wbk h PHE 433 Ca -0.03 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 2wbk h PHE 433 Cb 0.49 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2wbk h PHE 433 CO 0.04 0.08 0.09 -0.07 -2.23 0.00 0.00 178.31 176.22 2wbk h LEU 434 N 0.46 0.87 -0.90 0.59 3.38 -1.14 -1.45 115.31 117.12 2wbk h LEU 434 Ca 0.40 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.24 2wbk h LEU 434 Cb 0.59 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2wbk h LEU 434 CO -0.39 0.88 0.58 0.11 0.09 0.00 0.00 178.44 179.71 2wbk h LYS 435 N 0.86 1.04 -0.27 1.13 6.56 -0.91 0.56 116.57 125.55 2wbk h LYS 435 Ca 0.18 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.66 2wbk h LYS 435 Cb 0.39 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 2wbk h LYS 435 CO 0.01 0.69 0.02 0.00 -2.06 0.00 0.00 179.45 178.10 2wbk h ARG 436 N 1.07 0.47 -0.68 3.15 3.08 -0.86 -1.86 114.38 118.76 2wbk h ARG 436 Ca 0.38 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.32 2wbk h ARG 436 Cb 0.11 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2wbk h ARG 436 CO -0.15 0.62 0.42 0.28 -1.07 0.00 0.00 179.97 180.06 2wbk h VAL 437 N 0.27 1.07 -0.95 2.04 2.07 -1.08 -1.78 116.25 117.89 2wbk h VAL 437 Ca 0.08 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2wbk h VAL 437 Cb 0.39 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2wbk h VAL 437 CO 0.01 0.15 0.62 -0.08 0.02 0.00 0.00 177.57 178.29 2wbk h GLU 438 N 0.80 1.22 -0.53 1.57 4.81 -0.65 0.18 114.58 121.98 2wbk h GLU 438 Ca 0.28 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 2wbk h GLU 438 Cb 0.05 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2wbk h GLU 438 CO -0.12 0.81 -0.09 0.00 -0.73 0.00 0.00 179.01 178.88 2wbk h ALA 439 N 1.36 0.72 -0.40 2.92 0.00 -0.95 -1.31 119.26 121.60 2wbk h ALA 439 Ca 0.36 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2wbk h ALA 439 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2wbk h ALA 439 CO -0.09 0.62 -0.16 1.05 0.00 0.00 0.00 179.25 180.66 2wbk h GLU 440 N 0.86 0.75 -0.04 0.00 4.11 -0.49 -0.88 114.58 118.89 2wbk h GLU 440 Ca 0.14 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 2wbk h GLU 440 Cb 0.65 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2wbk h GLU 440 CO 0.04 0.87 0.02 0.00 0.07 0.00 0.00 179.01 180.01 2wbk h ALA 441 N 1.15 0.05 -0.35 1.06 0.00 -0.49 -0.39 119.26 120.30 2wbk h ALA 441 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wbk h ALA 441 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wbk h ALA 441 CO 0.05 -0.35 0.09 0.28 0.00 0.00 0.00 179.25 179.31 2wbk h VAL 442 N -0.10 1.22 0.23 0.00 2.07 -1.28 -1.47 116.25 116.92 2wbk h VAL 442 Ca 0.01 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2wbk h VAL 442 Cb 0.18 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2wbk h VAL 442 CO -0.00 0.25 -0.11 0.22 0.02 0.00 0.00 177.57 177.95 2wbk h TYR 443 N 0.41 -0.29 0.00 1.57 3.20 -0.97 -1.98 116.97 118.92 2wbk h TYR 443 Ca 0.11 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2wbk h TYR 443 Cb 0.29 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2wbk h TYR 443 CO 0.01 -0.18 -0.40 -0.91 -1.64 0.00 0.00 178.16 175.05 2wbk h ASN 444 N -0.32 0.00 0.01 -2.11 2.35 -1.09 -1.36 115.58 113.07 2wbk h ASN 444 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2wbk h ASN 444 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2wbk h ASN 444 CO 0.05 0.40 -0.01 0.40 -1.65 0.00 0.00 177.43 176.63 2wbk h ILE 445 N 0.00 1.18 -0.55 2.81 2.04 -1.18 -2.24 117.51 119.56 2wbk h ILE 445 Ca -0.00 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2wbk h ILE 445 Cb 0.94 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 2wbk h ILE 445 CO 0.05 0.15 0.19 0.03 0.00 0.00 0.00 178.15 178.57 2wbk h ARG 446 N -0.26 0.81 -0.46 2.37 3.08 -1.29 -0.13 114.38 118.51 2wbk h ARG 446 Ca -0.00 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2wbk h ARG 446 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2wbk h ARG 446 CO 0.00 0.69 0.23 -0.09 -1.07 0.00 0.00 179.97 179.74 2wbk h ARG 447 N 0.80 0.63 0.00 0.04 2.43 -1.20 -3.34 114.38 113.73 2wbk h ARG 447 Ca 0.19 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2wbk h ARG 447 Cb 0.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2wbk h ARG 447 CO -0.01 0.48 -0.74 1.28 -1.51 0.00 0.00 179.97 179.47 2wbk n LEU 448 N -4.40 0.37 0.04 3.80 4.77 -0.85 -4.66 117.00 116.07 2wbk n LEU 448 Ca 0.04 -0.37 0.08 0.00 -0.03 0.00 0.00 56.01 55.72 2wbk n LEU 448 Cb 0.11 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.53 2wbk n LEU 448 CO 0.37 0.09 0.74 -2.11 -1.33 0.00 0.00 177.39 175.15 2wbk n ARG 449 N -1.40 0.06 -0.04 3.23 1.85 -0.11 -2.38 116.66 117.86 2wbk n ARG 449 Ca 0.01 0.35 0.13 0.00 -1.00 0.00 0.00 57.85 57.33 2wbk n ARG 449 Cb 0.19 -1.62 0.32 0.00 -1.05 0.00 0.00 32.46 30.31 2wbk n ARG 449 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2wbk n ASN 450 N -1.73 2.26 -4.65 2.89 3.02 -1.26 -4.91 115.26 110.88 2wbk n ASN 450 Ca 0.02 -1.76 -0.43 0.00 -0.03 0.00 0.00 54.58 52.39 2wbk n ASN 450 Cb 0.16 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 2wbk n ASN 450 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2wbk s HIS 451 N -1.90 2.94 0.42 3.10 3.76 -1.00 -4.70 115.29 117.91 2wbk s HIS 451 Ca 0.34 1.08 0.19 0.00 -0.15 0.00 0.00 55.06 56.53 2wbk s HIS 451 Cb 0.20 -3.61 1.13 0.00 1.11 0.00 0.00 32.58 31.41 2wbk s HIS 451 CO 0.31 -1.32 1.82 0.00 -0.85 0.00 0.00 174.74 174.70 2wbk h ALA 452 N 8.37 2.29 0.00 -1.40 0.00 -1.84 -0.81 119.26 125.86 2wbk h ALA 452 Ca -0.24 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2wbk h ALA 452 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2wbk h ALA 452 CO 1.00 -0.62 -0.23 0.66 0.00 0.00 0.00 179.25 180.06 2wbk h SER 453 N 0.37 0.00 -2.70 0.00 4.64 -1.87 -3.44 113.55 110.54 2wbk h SER 453 Ca 0.52 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.29 2wbk h SER 453 Cb 1.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 2wbk h SER 453 CO -0.21 0.23 1.03 -0.22 -0.87 0.00 0.00 176.83 176.79 2wbk s LEU 454 N -7.31 4.28 -0.07 5.97 2.96 -0.31 -0.77 118.68 123.43 2wbk s LEU 454 Ca -0.02 2.08 0.07 0.00 -0.22 0.00 0.00 54.13 56.04 2wbk s LEU 454 Cb 0.12 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.18 2wbk s LEU 454 CO 0.64 -0.87 0.04 0.00 -1.32 0.00 0.00 176.35 174.83 2wbk n ALA 455 N 6.94 1.84 -3.61 5.97 0.00 0.14 -4.88 120.51 126.92 2wbk n ALA 455 Ca 0.16 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 2wbk n ALA 455 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 2wbk n ALA 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbk s MET 456 N -2.21 0.46 0.06 0.00 0.23 -1.22 -4.32 119.30 112.30 2wbk s MET 456 Ca -0.04 -0.22 0.09 0.00 -1.03 0.00 0.00 55.69 54.49 2wbk s MET 456 Cb 0.02 0.18 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 2wbk s MET 456 CO 0.31 -0.21 -0.24 -1.58 -2.03 0.00 0.00 175.02 171.28 2wbk s TRP 457 N -2.55 2.40 -0.07 3.16 0.52 -0.13 -1.66 118.94 120.61 2wbk s TRP 457 Ca 0.11 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.88 2wbk s TRP 457 Cb 0.01 -1.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 2wbk s TRP 457 CO -0.04 0.20 -0.05 0.00 0.02 0.00 0.00 176.95 177.08 2wbk h GLY 459 N 7.59 1.48 -1.76 0.00 0.00 -0.98 0.36 103.07 109.77 2wbk h GLY 459 Ca -0.31 -0.50 0.09 0.00 0.00 0.00 0.00 47.33 46.60 2wbk h GLY 459 CO 0.41 0.43 0.36 0.54 0.00 0.00 0.00 176.54 178.28 2wbk s ASN 460 N -6.01 -0.12 -0.36 0.19 2.20 -1.13 -4.11 114.94 105.60 2wbk s ASN 460 Ca -0.13 -0.72 -0.11 0.00 -0.94 0.00 0.00 52.86 50.95 2wbk s ASN 460 Cb 0.19 0.67 0.01 0.00 -2.00 0.00 0.00 41.25 40.12 2wbk s ASN 460 CO 0.82 -1.28 0.21 0.21 -2.94 0.00 0.00 177.10 174.12 2wbk s ASN 461 N -3.05 5.78 -0.15 3.54 2.47 -0.51 -1.94 114.94 121.09 2wbk s ASN 461 Ca 0.14 -0.81 0.00 0.00 0.42 0.00 0.00 52.86 52.62 2wbk s ASN 461 Cb -0.04 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 2wbk s ASN 461 CO 0.07 -0.33 0.00 -0.62 -3.72 0.00 0.00 177.10 172.49 2wbk n GLU 462 N 5.03 -0.92 -0.04 0.43 1.02 0.22 -1.01 120.64 125.36 2wbk n GLU 462 Ca -0.12 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.20 2wbk n GLU 462 Cb 0.47 -4.07 -0.08 0.00 -0.02 0.00 0.00 31.44 27.74 2wbk n GLU 462 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wbk h ILE 463 N 0.00 1.38 -0.99 -3.67 2.04 -1.85 0.51 117.51 114.94 2wbk h ILE 463 Ca -0.03 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.27 2wbk h ILE 463 Cb 0.50 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 2wbk h ILE 463 CO 0.04 0.46 0.65 0.25 0.00 0.00 0.00 178.15 179.56 2wbk h LEU 464 N -0.02 1.12 -0.19 1.44 5.85 -1.90 -0.24 115.31 121.37 2wbk h LEU 464 Ca -0.00 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2wbk h LEU 464 Cb 0.89 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2wbk h LEU 464 CO 0.06 0.80 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.87 2wbk h GLU 465 N 1.32 0.04 -0.63 1.25 4.81 -1.78 -0.77 114.58 118.82 2wbk h GLU 465 Ca 0.37 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.72 2wbk h GLU 465 Cb -0.12 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.16 2wbk h GLU 465 CO -0.09 0.02 0.10 0.00 -0.73 0.00 0.00 179.01 178.31 2wbk h ALA 466 N 1.17 0.73 -0.42 2.92 0.00 -0.41 0.17 119.26 123.42 2wbk h ALA 466 Ca 0.09 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2wbk h ALA 466 Cb 0.12 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wbk h ALA 466 CO -0.17 -0.34 -0.16 -0.07 0.00 0.00 0.00 179.25 178.51 2wbk h LEU 467 N 0.22 0.79 0.17 0.00 3.38 -0.58 -2.97 115.31 116.32 2wbk h LEU 467 Ca 0.34 -0.26 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 2wbk h LEU 467 Cb 0.53 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wbk h LEU 467 CO -0.46 0.96 -1.42 0.11 0.09 0.00 0.00 178.44 177.71 2wbk h LYS 468 N 0.71 0.35 -0.00 1.13 1.57 -0.89 -3.44 116.57 115.99 2wbk h LYS 468 Ca 0.11 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2wbk h LYS 468 Cb 0.66 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2wbk h LYS 468 CO 0.05 1.29 -0.06 0.66 -0.57 0.00 0.00 179.45 180.81 2wbk n TYR 469 N -3.83 0.00 0.31 -1.35 4.01 0.58 -4.69 117.16 112.19 2wbk n TYR 469 Ca -0.22 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.62 2wbk n TYR 469 Cb 0.97 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.26 2wbk n TYR 469 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2wbk n TRP 470 N -0.89 0.67 -1.92 -0.72 7.02 -1.12 -4.91 117.44 115.58 2wbk n TRP 470 Ca 0.00 -0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.15 2wbk n TRP 470 Cb 0.03 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 2wbk n TRP 470 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wbk n GLY 471 N 1.39 0.63 0.07 6.99 0.00 -1.26 -4.96 105.19 108.04 2wbk n GLY 471 Ca 0.19 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 2wbk n GLY 471 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wbk h PHE 472 N 0.00 0.08 -0.15 1.61 0.04 -1.86 -3.31 116.94 113.35 2wbk h PHE 472 Ca 0.00 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.74 2wbk h PHE 472 Cb 0.91 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2wbk h PHE 472 CO 0.00 1.05 0.10 1.49 -0.60 0.00 0.00 178.31 180.35 2wbk h GLU 473 N 0.01 0.05 0.00 1.51 4.81 -1.91 0.35 114.58 119.41 2wbk h GLU 473 Ca -0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wbk h GLU 473 Cb 1.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.17 2wbk h GLU 473 CO 0.14 0.04 0.00 1.63 -0.73 0.00 0.00 179.01 180.09 2wbk n LYS 474 N -4.50 0.07 0.04 1.92 5.02 -1.25 -3.60 118.16 115.86 2wbk n LYS 474 Ca 0.00 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.53 2wbk n LYS 474 Cb 0.19 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2wbk n LYS 474 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wbk n LYS 475 N -1.71 0.46 -4.30 1.97 5.02 0.12 -4.97 118.16 114.75 2wbk n LYS 475 Ca 0.06 -0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.17 2wbk n LYS 475 Cb 0.32 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 2wbk n LYS 475 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2wbk s PHE 476 N -3.31 1.48 0.87 2.13 0.08 -1.19 -5.08 117.98 112.96 2wbk s PHE 476 Ca -0.00 -0.70 -0.12 0.00 0.12 0.00 0.00 56.93 56.23 2wbk s PHE 476 Cb 0.13 -0.74 0.09 0.00 -0.57 0.00 0.00 43.02 41.93 2wbk s PHE 476 CO 0.83 0.19 0.96 0.25 -0.10 0.00 0.00 175.22 177.34 2wbk n THR 477 N -0.30 0.86 0.25 0.64 -2.24 -1.26 -4.76 114.28 107.47 2wbk n THR 477 Ca -0.09 -0.14 0.09 0.00 -2.27 0.00 0.00 64.05 61.64 2wbk n THR 477 Cb 0.61 -0.97 0.65 0.00 -2.10 0.00 0.00 70.33 68.52 2wbk n THR 477 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2wbk h PRO 478 N -1.36 0.00 -0.22 -0.78 0.11 -2.00 -2.20 132.00 125.55 2wbk h PRO 478 Ca -0.44 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 2wbk h PRO 478 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wbk h PRO 478 CO 0.41 0.00 -0.64 0.93 -0.21 0.00 0.00 178.00 178.49 2wbk h GLU 479 N 0.00 0.81 0.14 1.05 3.07 -1.99 -0.89 114.58 116.77 2wbk h GLU 479 Ca 0.01 -0.57 -0.01 0.00 -0.50 0.00 0.00 59.36 58.30 2wbk h GLU 479 Cb 0.05 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2wbk h GLU 479 CO -0.00 1.19 -0.07 0.28 -1.40 0.00 0.00 179.01 179.01 2wbk h VAL 480 N 0.59 1.01 -0.44 3.13 2.07 -1.88 -1.96 116.25 118.77 2wbk h VAL 480 Ca -0.01 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.78 2wbk h VAL 480 Cb 1.25 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 2wbk h VAL 480 CO 0.14 0.19 -0.00 0.22 0.02 0.00 0.00 177.57 178.13 2wbk h TYR 481 N -0.59 -0.03 -0.85 1.57 3.20 -1.43 0.40 116.97 119.25 2wbk h TYR 481 Ca -0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2wbk h TYR 481 Cb 0.45 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 2wbk h TYR 481 CO 0.05 -0.09 0.56 0.37 -1.64 0.00 0.00 178.16 177.40 2wbk h GLN 482 N 0.11 0.99 -0.40 1.82 5.75 -1.18 -0.13 115.11 122.06 2wbk h GLN 482 Ca 0.22 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2wbk h GLN 482 Cb 0.32 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2wbk h GLN 482 CO -0.36 0.65 -0.08 0.78 -2.65 0.00 0.00 178.83 177.17 2wbk h GLY 483 N 1.02 0.75 1.03 2.39 0.00 0.12 -0.84 103.07 107.54 2wbk h GLY 483 Ca 0.35 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2wbk h GLY 483 CO -0.11 0.49 0.40 1.41 0.00 0.00 0.00 176.54 178.73 2wbk h LEU 484 N 0.64 1.06 -0.29 3.11 3.38 0.83 0.97 115.31 125.01 2wbk h LEU 484 Ca 0.12 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2wbk h LEU 484 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wbk h LEU 484 CO 0.03 0.89 -0.01 0.24 0.09 0.00 0.00 178.44 179.68 2wbk h MET 485 N 1.15 0.52 -0.70 1.13 2.86 -0.67 0.16 114.93 119.38 2wbk h MET 485 Ca 0.28 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2wbk h MET 485 Cb 0.10 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2wbk h MET 485 CO -0.04 0.68 0.35 0.45 1.06 0.00 0.00 176.91 179.41 2wbk h HIS 486 N 0.31 0.99 -0.60 -0.22 3.86 -1.16 -2.69 115.15 115.64 2wbk h HIS 486 Ca 0.08 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2wbk h HIS 486 Cb 0.44 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 2wbk h HIS 486 CO 0.04 0.72 0.37 0.78 0.86 0.00 0.00 177.93 180.70 2wbk h GLY 487 N 0.97 0.86 0.76 2.45 0.00 -0.61 -2.17 103.07 105.33 2wbk h GLY 487 Ca 0.24 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.25 2wbk h GLY 487 CO -0.03 0.33 -0.06 -1.82 0.00 0.00 0.00 176.54 174.96 2wbk h TYR 488 N 0.82 -0.14 -0.87 5.60 3.20 -0.65 -2.95 116.97 121.97 2wbk h TYR 488 Ca 0.22 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.18 2wbk h TYR 488 Cb -0.05 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 2wbk h TYR 488 CO 0.00 -0.09 0.53 -0.44 -1.64 0.00 0.00 178.16 176.52 2wbk h ASP 489 N -0.07 0.80 -0.11 -2.11 3.32 -1.10 -2.11 116.42 115.03 2wbk h ASP 489 Ca 0.05 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2wbk h ASP 489 Cb 0.14 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2wbk h ASP 489 CO -0.11 0.48 -0.21 0.11 -1.72 0.00 0.00 179.24 177.79 2wbk h LYS 490 N 0.92 0.53 0.00 3.56 1.57 -1.35 -1.39 116.57 120.42 2wbk h LYS 490 Ca 0.40 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2wbk h LYS 490 Cb 0.28 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2wbk h LYS 490 CO -0.21 0.71 -0.12 1.25 -0.57 0.00 0.00 179.45 180.52 2wbk h LEU 491 N 0.47 0.00 0.00 2.94 5.85 -1.40 -0.37 115.31 122.81 2wbk h LEU 491 Ca 0.07 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2wbk h LEU 491 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2wbk h LEU 491 CO 0.04 0.61 -1.07 0.49 -0.34 0.00 0.00 178.44 178.18 2wbk n PHE 492 N -4.73 0.76 0.53 1.25 3.72 -0.80 -0.98 117.46 117.21 2wbk n PHE 492 Ca -0.03 0.22 0.06 0.00 -0.05 0.00 0.00 57.45 57.65 2wbk n PHE 492 Cb 0.10 -0.83 0.01 0.00 -0.94 0.00 0.00 39.48 37.82 2wbk n PHE 492 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2wbk n ARG 493 N -2.51 1.76 0.03 -1.08 1.74 -0.58 -4.39 116.66 111.64 2wbk n ARG 493 Ca 0.00 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.32 2wbk n ARG 493 Cb 0.53 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 2wbk n ARG 493 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wbk n GLU 494 N -0.07 0.00 0.28 5.56 1.02 -0.85 -4.79 120.64 121.79 2wbk n GLU 494 Ca 0.05 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 2wbk n GLU 494 Cb 0.26 -0.05 -0.08 0.00 -0.02 0.00 0.00 31.44 31.54 2wbk n GLU 494 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2wbk h LEU 495 N 0.00 -0.57 -0.18 -4.62 5.85 -0.96 -1.52 115.31 113.32 2wbk h LEU 495 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2wbk h LEU 495 Cb 0.00 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2wbk h LEU 495 CO 0.00 -0.36 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.65 2wbk h LEU 496 N -0.73 0.32 -1.25 2.25 3.38 -1.31 -1.95 115.31 116.01 2wbk h LEU 496 Ca -0.07 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.61 2wbk h LEU 496 Cb 0.54 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2wbk h LEU 496 CO 0.11 0.59 0.53 1.55 0.09 0.00 0.00 178.44 181.31 2wbk h PRO 497 N 0.05 0.91 -0.77 1.13 0.13 -1.76 -1.46 132.00 130.22 2wbk h PRO 497 Ca 0.05 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2wbk h PRO 497 Cb 0.44 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 2wbk h PRO 497 CO 0.01 0.60 0.32 0.66 -0.23 0.00 0.00 178.00 179.36 2wbk h SER 498 N 0.94 1.06 -0.30 1.44 4.64 -1.09 -0.31 113.55 119.92 2wbk h SER 498 Ca 0.33 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2wbk h SER 498 Cb 0.14 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2wbk h SER 498 CO -0.11 0.93 -0.03 0.74 -0.87 0.00 0.00 176.83 177.50 2wbk h THR 499 N 1.11 1.27 -0.76 2.95 2.02 -0.76 -1.13 112.91 117.61 2wbk h THR 499 Ca 0.26 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.47 2wbk h THR 499 Cb 0.20 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 2wbk h THR 499 CO -0.02 0.33 0.47 0.58 0.37 0.00 0.00 175.52 177.25 2wbk h VAL 500 N 0.34 1.09 -0.17 3.16 2.07 -1.09 -0.82 116.25 120.82 2wbk h VAL 500 Ca 0.08 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2wbk h VAL 500 Cb 0.49 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2wbk h VAL 500 CO 0.02 0.17 -0.19 0.50 0.02 0.00 0.00 177.57 178.09 2wbk h LYS 501 N 0.91 0.29 0.25 1.57 3.64 -0.82 0.45 116.57 122.86 2wbk h LYS 501 Ca 0.31 -0.08 -0.33 0.00 -1.27 0.00 0.00 60.65 59.28 2wbk h LYS 501 Cb 0.05 -0.03 0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2wbk h LYS 501 CO -0.12 0.47 -1.46 1.49 -2.27 0.00 0.00 179.45 177.56 2wbk h GLU 502 N 0.27 0.53 -0.00 1.90 4.81 -0.47 -3.35 114.58 118.26 2wbk h GLU 502 Ca 0.05 -0.90 0.00 0.00 -0.13 0.00 0.00 59.36 58.38 2wbk h GLU 502 Cb 0.49 0.33 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2wbk h GLU 502 CO 0.03 1.43 -0.40 1.19 -0.73 0.00 0.00 179.01 180.53 2wbk n PHE 503 N -3.74 0.00 -2.91 0.92 3.72 -0.38 -4.68 117.46 110.38 2wbk n PHE 503 Ca -0.17 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.10 2wbk n PHE 503 Cb 1.09 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.67 2wbk n PHE 503 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wbk n ASP 504 N -1.06 -0.90 0.25 4.37 -0.08 0.13 -4.86 116.55 114.41 2wbk n ASP 504 Ca 0.02 -3.32 0.17 0.00 -1.51 0.00 0.00 54.79 50.15 2wbk n ASP 504 Cb 0.16 0.77 0.81 0.00 2.34 0.00 0.00 41.12 45.19 2wbk n ASP 504 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2wbk h SER 505 N 2.94 0.00 -0.26 1.67 4.64 -1.68 -2.05 113.55 118.82 2wbk h SER 505 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2wbk h SER 505 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2wbk h SER 505 CO 0.28 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.71 2wbk n ASP 506 N -2.81 3.00 -4.75 4.97 8.00 -1.26 -4.95 116.55 118.75 2wbk n ASP 506 Ca -0.01 -1.93 -0.32 0.00 0.71 0.00 0.00 54.79 53.25 2wbk n ASP 506 Cb 0.18 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 2wbk n ASP 506 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2wbk s ARG 507 N -1.68 2.89 0.42 -1.24 0.52 -0.77 -4.99 118.95 114.09 2wbk s ARG 507 Ca 0.35 -0.62 -0.23 0.00 -0.52 0.00 0.00 55.73 54.71 2wbk s ARG 507 Cb 0.21 -2.74 -0.09 0.00 0.52 0.00 0.00 34.95 32.85 2wbk s ARG 507 CO 0.31 0.60 1.04 0.12 0.02 0.00 0.00 175.30 177.39 2wbk s PHE 508 N -1.25 3.22 -0.01 -0.53 5.36 -1.26 -4.90 117.98 118.60 2wbk s PHE 508 Ca 0.25 1.63 0.03 0.00 -0.96 0.00 0.00 56.93 57.88 2wbk s PHE 508 Cb -0.12 -3.10 -0.01 0.00 -0.34 0.00 0.00 43.02 39.45 2wbk s PHE 508 CO 0.16 -0.64 -0.11 -0.47 -1.46 0.00 0.00 175.22 172.71 2wbk s TYR 509 N -1.74 0.99 0.06 10.12 5.04 -1.26 -0.96 117.35 129.61 2wbk s TYR 509 Ca 0.60 -0.20 0.04 0.00 -2.44 0.00 0.00 57.07 55.07 2wbk s TYR 509 Cb -0.20 -0.65 -0.03 0.00 0.35 0.00 0.00 41.96 41.43 2wbk s TYR 509 CO 0.25 -0.03 -0.12 0.54 -1.34 0.00 0.00 175.55 174.85 2wbk s VAL 510 N -0.20 0.94 0.17 3.14 0.11 -0.78 -4.98 120.40 118.80 2wbk s VAL 510 Ca 0.03 -1.20 0.22 0.00 -2.93 0.00 0.00 61.98 58.10 2wbk s VAL 510 Cb -0.05 -0.93 0.20 0.00 -1.53 0.00 0.00 36.38 34.08 2wbk s VAL 510 CO -0.00 -0.24 1.82 1.12 -3.33 0.00 0.00 175.10 174.46 2wbk h HIS 511 N 4.43 0.00 -2.35 1.54 2.07 -1.89 0.25 115.15 119.20 2wbk h HIS 511 Ca -0.39 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.20 2wbk h HIS 511 Cb 1.19 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.02 2wbk h HIS 511 CO 0.62 0.27 0.42 0.45 -3.07 0.00 0.00 177.93 176.62 2wbk s SER 512 N -6.28 -0.43 -0.12 3.10 0.15 -1.26 -2.84 113.70 106.01 2wbk s SER 512 Ca 0.00 0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.73 2wbk s SER 512 Cb 0.11 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 2wbk s SER 512 CO 0.65 -0.67 -0.08 -0.55 1.20 0.00 0.00 173.24 173.79 2wbk s SER 513 N -2.33 2.31 0.26 5.45 0.15 -0.82 -2.77 113.70 115.95 2wbk s SER 513 Ca 0.03 -0.36 -0.27 0.00 0.70 0.00 0.00 55.95 56.04 2wbk s SER 513 Cb -0.01 -0.89 -0.09 0.00 -1.71 0.00 0.00 66.02 63.32 2wbk s SER 513 CO -0.08 -0.12 0.90 -2.16 1.20 0.00 0.00 173.24 172.98 2wbk s PRO 514 N 1.68 4.66 0.37 5.44 0.04 -1.26 -0.61 135.00 145.31 2wbk s PRO 514 Ca 0.04 1.32 0.19 0.00 0.04 0.00 0.00 61.00 62.60 2wbk s PRO 514 Cb -0.13 -3.05 0.58 0.00 0.04 0.00 0.00 34.50 31.93 2wbk s PRO 514 CO -0.08 0.42 1.68 0.10 0.04 0.00 0.00 177.00 179.16 2wbk h TYR 515 N 3.72 0.00 0.00 0.56 -0.00 -1.69 -3.42 116.97 116.14 2wbk h TYR 515 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2wbk h TYR 515 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 2wbk h TYR 515 CO 0.62 0.36 0.00 -0.11 -0.00 0.00 0.00 178.16 179.03 2wbk n LEU 516 N -3.39 0.00 -4.77 0.10 -0.00 -1.26 -4.95 117.00 102.73 2wbk n LEU 516 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2wbk n LEU 516 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2wbk n LEU 516 CO 0.37 -0.10 0.87 0.00 -0.00 0.00 0.00 177.39 178.53 2wbk s ALA 517 N -1.20 2.95 -0.02 1.96 0.00 -1.25 -5.02 121.76 119.18 2wbk s ALA 517 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.02 2wbk s ALA 517 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 2wbk s ALA 517 CO 0.00 -0.82 -0.10 1.21 0.00 0.00 0.00 175.76 176.06 2wbk s ASN 518 N -1.25 1.21 0.63 0.00 3.84 -1.26 -4.75 114.94 113.36 2wbk s ASN 518 Ca 0.65 -0.19 0.40 0.00 0.21 0.00 0.00 52.86 53.93 2wbk s ASN 518 Cb -0.31 -0.25 2.14 0.00 -0.55 0.00 0.00 41.25 42.27 2wbk s ASN 518 CO 0.38 0.09 2.29 4.11 -2.79 0.00 0.00 177.10 181.18 2wbk h TRP 519 N 6.19 0.00 -0.08 0.43 5.08 -1.96 -1.21 115.95 124.40 2wbk h TRP 519 Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.65 2wbk h TRP 519 Cb 1.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 2wbk h TRP 519 CO 0.43 0.01 0.00 0.41 -1.28 0.00 0.00 178.44 178.01 2wbk n GLY 520 N -0.94 0.25 2.71 11.11 0.00 -1.26 -4.69 105.19 112.37 2wbk n GLY 520 Ca -0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2wbk n GLY 520 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wbk s ARG 521 N -1.91 1.45 0.49 1.61 0.52 -0.46 -4.98 118.95 115.68 2wbk s ARG 521 Ca 0.35 -2.24 0.25 0.00 -0.52 0.00 0.00 55.73 53.58 2wbk s ARG 521 Cb 0.20 -2.44 1.33 0.00 0.52 0.00 0.00 34.95 34.56 2wbk s ARG 521 CO 0.31 -1.20 1.90 -1.35 0.02 0.00 0.00 175.30 174.97 2wbk h PRO 522 N 6.40 0.14 0.00 3.54 0.11 -1.84 -0.17 132.00 140.19 2wbk h PRO 522 Ca 0.04 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2wbk h PRO 522 Cb 0.90 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2wbk h PRO 522 CO 0.51 0.09 -0.15 1.05 -0.21 0.00 0.00 178.00 179.29 2wbk h GLU 523 N 0.15 0.00 -0.00 1.05 9.09 -1.93 -2.83 114.58 120.10 2wbk h GLU 523 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 2wbk h GLU 523 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.49 2wbk h GLU 523 CO -0.07 0.15 -0.34 -1.13 0.05 0.00 0.00 179.01 177.68 2wbk n SER 524 N -3.30 0.60 0.32 3.06 3.41 -0.08 -4.46 113.62 113.17 2wbk n SER 524 Ca 0.00 -0.40 0.20 0.00 -0.26 0.00 0.00 58.87 58.42 2wbk n SER 524 Cb 0.40 0.11 1.08 0.00 -0.26 0.00 0.00 64.21 65.54 2wbk n SER 524 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2wbk h TRP 525 N 0.40 0.00 -0.61 7.33 6.55 -1.55 -1.39 115.95 126.68 2wbk h TRP 525 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2wbk h TRP 525 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.78 2wbk h TRP 525 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 2wbk n GLY 526 N -1.18 1.88 3.15 1.49 0.00 -1.26 -3.70 105.19 105.56 2wbk n GLY 526 Ca -0.03 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 2wbk n GLY 526 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wbk s THR 527 N -1.19 3.69 0.00 2.61 2.01 -0.52 -0.04 115.64 122.20 2wbk s THR 527 Ca 0.41 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2wbk s THR 527 Cb 0.22 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.25 2wbk s THR 527 CO 0.28 -0.75 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 2wbk n GLY 528 N 4.57 0.52 3.88 4.40 0.00 0.42 -3.90 105.19 115.09 2wbk n GLY 528 Ca -0.03 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 2wbk n GLY 528 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wbk s ASP 529 N -4.00 6.35 -0.00 1.61 -4.77 -1.26 -3.85 116.67 110.75 2wbk s ASP 529 Ca 0.00 1.16 0.04 0.00 -3.30 0.00 0.00 52.55 50.46 2wbk s ASP 529 Cb 0.00 -2.35 -0.01 0.00 -1.09 0.00 0.00 42.92 39.47 2wbk s ASP 529 CO 0.00 -0.61 -0.14 -0.44 0.70 0.00 0.00 175.17 174.68 2wbk s SER 530 N -3.80 1.63 -0.68 2.11 0.01 -0.46 -4.11 113.70 108.40 2wbk s SER 530 Ca 0.51 -0.27 -0.11 0.00 1.31 0.00 0.00 55.95 57.39 2wbk s SER 530 Cb -0.10 -0.17 0.18 0.00 0.21 0.00 0.00 66.02 66.13 2wbk s SER 530 CO 0.43 0.16 0.59 -1.00 0.41 0.00 0.00 173.24 173.82 2wbk s HIS 531 N -0.38 3.56 -1.11 2.43 3.76 -1.26 -1.09 115.29 121.20 2wbk s HIS 531 Ca 0.05 -2.03 -0.21 0.00 -0.15 0.00 0.00 55.06 52.72 2wbk s HIS 531 Cb -0.06 -3.63 0.06 0.00 1.11 0.00 0.00 32.58 30.07 2wbk s HIS 531 CO -0.00 -0.96 1.53 1.21 -0.85 0.00 0.00 174.74 175.67 2wbk s ASN 532 N 2.13 6.62 -0.11 1.40 3.84 -0.19 -4.33 114.94 124.31 2wbk s ASN 532 Ca 0.13 -1.82 0.12 0.00 0.21 0.00 0.00 52.86 51.50 2wbk s ASN 532 Cb -0.18 -2.56 0.52 0.00 -0.55 0.00 0.00 41.25 38.48 2wbk s ASN 532 CO -0.05 -1.37 1.36 0.79 -2.79 0.00 0.00 177.10 175.04 2wbk n TRP 533 N 8.59 1.18 -0.34 0.43 7.02 -1.26 -4.08 117.44 128.98 2wbk n TRP 533 Ca 0.38 -0.44 -0.02 0.00 -1.02 0.00 0.00 57.50 56.40 2wbk n TRP 533 Cb 0.49 -0.25 0.13 0.00 -2.42 0.00 0.00 31.31 29.26 2wbk n TRP 533 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 2wbk h GLY 534 N 4.53 1.33 -4.13 6.99 0.00 -1.87 -0.60 103.07 109.32 2wbk h GLY 534 Ca 0.00 -0.52 -0.52 0.00 0.00 0.00 0.00 47.33 46.29 2wbk h GLY 534 CO 0.22 0.51 0.44 0.14 0.00 0.00 0.00 176.54 177.85 2wbk s VAL 535 N -6.01 4.15 0.00 4.60 1.01 -1.26 -0.40 120.40 122.49 2wbk s VAL 535 Ca -0.13 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2wbk s VAL 535 Cb 0.18 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2wbk s VAL 535 CO 0.81 0.28 0.00 1.87 0.00 0.00 0.00 175.10 178.06 2wbk n TRP 536 N 2.71 0.00 -0.34 5.22 -0.00 -1.26 -4.47 117.44 119.29 2wbk n TRP 536 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 2wbk n TRP 536 Cb 0.47 0.00 0.14 0.00 -0.00 0.00 0.00 31.31 31.92 2wbk n TRP 536 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 2wbk h TYR 537 N 0.00 1.12 -0.02 5.87 0.05 -1.48 -1.26 116.97 121.25 2wbk h TYR 537 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2wbk h TYR 537 Cb 0.00 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.37 2wbk h TYR 537 CO 0.00 0.62 -0.06 0.41 -1.05 0.00 0.00 178.16 178.08 2wbk n GLY 538 N -1.35 -0.01 2.55 3.88 0.00 -0.34 -4.94 105.19 104.98 2wbk n GLY 538 Ca 0.13 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 2wbk n GLY 538 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wbk n LYS 539 N 0.13 -1.18 -2.49 1.61 5.02 -0.07 -4.85 118.16 116.33 2wbk n LYS 539 Ca 0.17 0.68 -0.37 0.00 -2.02 0.00 0.00 58.31 56.78 2wbk n LYS 539 Cb 0.38 -4.76 -0.03 0.00 -0.02 0.00 0.00 35.03 30.60 2wbk n LYS 539 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wbk s LYS 540 N -2.32 4.09 0.71 1.97 1.02 0.46 -4.84 119.74 120.83 2wbk s LYS 540 Ca 0.00 1.56 -0.15 0.00 0.02 0.00 0.00 55.97 57.40 2wbk s LYS 540 Cb 0.00 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.83 2wbk s LYS 540 CO 0.00 -0.22 1.20 -1.25 -0.92 0.00 0.00 175.35 174.16 2wbk s PRO 541 N -2.54 2.27 0.40 -1.68 0.04 -1.26 -4.39 135.00 127.84 2wbk s PRO 541 Ca 0.59 1.73 0.13 0.00 0.04 0.00 0.00 61.00 63.48 2wbk s PRO 541 Cb -0.23 -1.85 0.96 0.00 0.04 0.00 0.00 34.50 33.42 2wbk s PRO 541 CO 0.29 -1.73 1.92 0.74 0.04 0.00 0.00 177.00 178.26 2wbk h PHE 542 N -0.18 0.58 -0.10 0.56 0.04 -1.95 -1.29 116.94 114.62 2wbk h PHE 542 Ca -0.48 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.34 2wbk h PHE 542 Cb 1.29 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 2wbk h PHE 542 CO 0.48 0.24 0.11 0.93 -0.60 0.00 0.00 178.31 179.47 2wbk h GLU 543 N 0.52 0.00 -0.26 1.51 3.07 -1.93 -0.46 114.58 117.02 2wbk h GLU 543 Ca 0.37 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.30 2wbk h GLU 543 Cb 0.70 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2wbk h GLU 543 CO -0.13 0.00 0.32 0.66 -1.40 0.00 0.00 179.01 178.46 2wbk h SER 544 N 0.00 0.00 0.71 1.42 4.64 -1.59 -0.84 113.55 117.89 2wbk h SER 544 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2wbk h SER 544 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wbk h SER 544 CO -0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 2wbk h LEU 545 N 0.00 0.00 0.03 5.97 3.38 -1.25 0.51 115.31 123.96 2wbk h LEU 545 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 2wbk h LEU 545 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2wbk h LEU 545 CO -0.00 0.00 -1.09 0.44 0.09 0.00 0.00 178.44 177.88 2wbk h ASP 546 N 0.00 0.11 0.02 -0.43 3.32 -1.33 -3.39 116.42 114.72 2wbk h ASP 546 Ca 0.00 -0.12 -0.39 0.00 0.02 0.00 0.00 57.03 56.54 2wbk h ASP 546 Cb 0.36 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 2wbk h ASP 546 CO 0.00 1.09 -2.41 0.35 -1.72 0.00 0.00 179.24 176.56 2wbk n THR 547 N -3.39 1.53 -2.82 0.35 -2.24 -0.83 -4.75 114.28 102.14 2wbk n THR 547 Ca -0.03 -0.55 -0.44 0.00 -2.27 0.00 0.00 64.05 60.76 2wbk n THR 547 Cb 0.96 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 2wbk n THR 547 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wbk n ASP 548 N -3.40 5.14 -4.79 3.42 8.00 0.17 -5.01 116.55 120.08 2wbk n ASP 548 Ca -0.45 -2.97 -0.38 0.00 0.71 0.00 0.00 54.79 51.70 2wbk n ASP 548 Cb 0.98 -1.61 -0.06 0.00 -0.02 0.00 0.00 41.12 40.42 2wbk n ASP 548 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wbk s LEU 549 N 2.05 4.43 0.41 0.64 1.43 -1.26 -4.80 118.68 121.56 2wbk s LEU 549 Ca 0.45 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 2wbk s LEU 549 Cb -0.00 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2wbk s LEU 549 CO 0.02 0.21 0.54 -2.16 0.23 0.00 0.00 176.35 175.19 2wbk s PRO 550 N -0.54 2.86 0.36 1.29 0.04 -1.26 -4.72 135.00 133.02 2wbk s PRO 550 Ca 0.26 -1.22 0.25 0.00 0.04 0.00 0.00 61.00 60.32 2wbk s PRO 550 Cb -0.17 -2.75 0.57 0.00 0.04 0.00 0.00 34.50 32.19 2wbk s PRO 550 CO 0.14 -0.21 1.69 0.00 0.04 0.00 0.00 177.00 178.66 2wbk h ARG 551 N 0.70 0.00 -0.71 4.56 2.47 -1.67 -3.33 114.38 116.41 2wbk h ARG 551 Ca -0.41 0.00 0.20 0.00 -1.26 0.00 0.00 59.98 58.51 2wbk h ARG 551 Cb 1.28 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.35 2wbk h ARG 551 CO 0.47 0.00 0.29 0.12 0.56 0.00 0.00 179.97 181.41 2wbk s PHE 552 N -3.20 -0.52 -0.74 3.04 5.36 -1.26 -1.40 117.98 119.27 2wbk s PHE 552 Ca 0.08 0.85 -0.23 0.00 -0.96 0.00 0.00 56.93 56.67 2wbk s PHE 552 Cb 0.08 0.29 0.06 0.00 -0.34 0.00 0.00 43.02 43.12 2wbk s PHE 552 CO 0.63 -0.26 1.10 1.41 -1.46 0.00 0.00 175.22 176.64 2wbk s MET 553 N 2.40 3.22 0.23 10.12 -2.45 0.32 -1.35 119.30 131.79 2wbk s MET 553 Ca -0.01 -0.79 0.23 0.00 -1.25 0.00 0.00 55.69 53.87 2wbk s MET 553 Cb -0.05 -4.37 0.25 0.00 1.25 0.00 0.00 34.83 31.91 2wbk s MET 553 CO -0.17 -1.93 1.32 0.66 1.05 0.00 0.00 175.02 175.95 2wbk h SER 554 N 9.63 0.00 -4.48 1.11 4.64 -1.33 0.41 113.55 123.53 2wbk h SER 554 Ca -0.20 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 2wbk h SER 554 Cb 1.06 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.93 2wbk h SER 554 CO 1.22 0.03 -0.12 -1.10 -0.87 0.00 0.00 176.83 175.99 2wbk s GLN 555 N -3.25 0.70 -0.05 4.77 -0.21 -1.10 -4.63 119.66 115.90 2wbk s GLN 555 Ca 0.04 0.32 -0.29 0.00 0.02 0.00 0.00 55.36 55.45 2wbk s GLN 555 Cb 0.10 0.33 0.11 0.00 1.00 0.00 0.00 33.01 34.54 2wbk s GLN 555 CO 0.73 -0.16 0.88 -0.59 -2.12 0.00 0.00 175.29 174.03 2wbk s PHE 556 N -0.54 -0.40 0.17 0.91 -0.12 -1.24 -1.02 117.98 115.73 2wbk s PHE 556 Ca -0.07 0.46 -0.23 0.00 -0.05 0.00 0.00 56.93 57.04 2wbk s PHE 556 Cb -0.03 0.50 0.07 0.00 -0.63 0.00 0.00 43.02 42.93 2wbk s PHE 556 CO 0.04 -0.50 1.02 0.20 -0.05 0.00 0.00 175.22 175.92 2wbk s GLY 557 N -1.91 -0.02 -0.22 1.99 0.00 -1.26 0.19 107.32 106.09 2wbk s GLY 557 Ca 0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 44.72 44.42 2wbk s GLY 557 CO -0.04 1.41 0.56 -0.12 0.00 0.00 0.00 173.10 174.91 2wbk s PHE 558 N -2.57 -0.70 0.54 1.90 5.36 -1.26 -4.57 117.98 116.69 2wbk s PHE 558 Ca 0.18 1.58 -0.19 0.00 -0.96 0.00 0.00 56.93 57.54 2wbk s PHE 558 Cb -0.02 0.30 -0.06 0.00 -0.34 0.00 0.00 43.02 42.91 2wbk s PHE 558 CO 0.04 -0.35 1.09 -0.65 -1.46 0.00 0.00 175.22 173.89 2wbk s GLN 559 N 0.77 3.42 -0.07 10.12 -0.21 -1.26 -4.42 119.66 128.01 2wbk s GLN 559 Ca -0.04 1.48 -0.11 0.00 0.02 0.00 0.00 55.36 56.72 2wbk s GLN 559 Cb -0.05 -2.03 0.02 0.00 1.00 0.00 0.00 33.01 31.95 2wbk s GLN 559 CO -0.06 -0.77 0.26 -1.54 -2.12 0.00 0.00 175.29 171.07 2wbk s SER 560 N -2.01 -0.22 0.35 5.90 1.04 0.39 -4.76 113.70 114.39 2wbk s SER 560 Ca 0.70 0.32 -0.28 0.00 0.48 0.00 0.00 55.95 57.17 2wbk s SER 560 Cb -0.21 0.45 -0.12 0.00 0.10 0.00 0.00 66.02 66.24 2wbk s SER 560 CO 0.27 -0.22 1.43 0.49 0.98 0.00 0.00 173.24 176.19 2wbk n PHE 561 N 2.30 2.69 -1.54 5.02 3.72 -1.26 -2.93 117.46 125.46 2wbk n PHE 561 Ca -0.16 0.46 -0.29 0.00 -0.05 0.00 0.00 57.45 57.40 2wbk n PHE 561 Cb 0.57 -2.50 0.11 0.00 -0.94 0.00 0.00 39.48 36.73 2wbk n PHE 561 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wbk s PRO 562 N -1.75 1.63 0.90 -1.08 0.04 -1.26 -4.68 135.00 128.80 2wbk s PRO 562 Ca 0.56 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2wbk s PRO 562 Cb -0.52 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.28 2wbk s PRO 562 CO 0.61 -1.90 1.11 -1.83 0.04 0.00 0.00 177.00 175.03 2wbk s GLU 563 N -5.21 1.14 0.24 4.56 -1.05 -1.26 -4.56 118.70 112.56 2wbk s GLU 563 Ca 0.62 1.25 -0.07 0.00 -0.15 0.00 0.00 54.97 56.62 2wbk s GLU 563 Cb -0.15 -1.76 0.23 0.00 -0.44 0.00 0.00 34.13 32.01 2wbk s GLU 563 CO 0.54 -2.45 1.91 0.52 0.95 0.00 0.00 175.26 176.73 2wbk h MET 564 N -1.72 1.24 -0.83 -4.83 2.86 -1.96 0.16 114.93 109.84 2wbk h MET 564 Ca -0.46 -0.08 0.18 0.00 -2.06 0.00 0.00 59.70 57.28 2wbk h MET 564 Cb 1.27 -0.28 -0.06 0.00 0.06 0.00 0.00 31.60 32.60 2wbk h MET 564 CO 0.47 0.82 0.55 1.57 1.06 0.00 0.00 176.91 181.39 2wbk h LYS 565 N 1.27 0.34 0.21 1.72 2.10 -1.92 0.87 116.57 121.17 2wbk h LYS 565 Ca 0.34 -0.02 -0.32 0.00 -2.00 0.00 0.00 60.65 58.65 2wbk h LYS 565 Cb -0.14 -0.08 0.02 0.00 -0.90 0.00 0.00 32.23 31.13 2wbk h LYS 565 CO -0.07 0.23 -1.43 1.15 -2.00 0.00 0.00 179.45 177.32 2wbk h THR 566 N 0.35 1.32 -0.69 0.07 2.02 -1.07 -3.08 112.91 111.84 2wbk h THR 566 Ca 0.42 -2.81 0.11 0.00 0.77 0.00 0.00 66.41 64.90 2wbk h THR 566 Cb 1.09 2.98 -0.08 0.00 -1.74 0.00 0.00 68.15 70.40 2wbk h THR 566 CO -0.13 0.84 0.29 0.40 0.37 0.00 0.00 175.52 177.28 2wbk h ILE 567 N 0.12 0.75 0.00 3.11 2.04 -0.35 -1.61 117.51 121.57 2wbk h ILE 567 Ca -0.22 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2wbk h ILE 567 Cb 2.10 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2wbk h ILE 567 CO 0.24 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.48 2wbk h ALA 568 N 1.46 1.00 0.00 1.87 0.00 0.77 -0.32 119.26 124.05 2wbk h ALA 568 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2wbk h ALA 568 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wbk h ALA 568 CO -0.33 0.00 -0.36 0.00 0.00 0.00 0.00 179.25 178.56 2wbk h ALA 569 N 2.06 0.88 -0.00 0.00 0.00 -1.20 -3.32 119.26 117.68 2wbk h ALA 569 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wbk h ALA 569 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wbk h ALA 569 CO 0.00 0.45 -0.02 1.97 0.00 0.00 0.00 179.25 181.65 2wbk n PHE 570 N -3.35 0.00 -3.91 0.00 1.16 -0.47 -4.77 117.46 106.11 2wbk n PHE 570 Ca 0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.45 2wbk n PHE 570 Cb 0.57 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.29 2wbk n PHE 570 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wbk s ALA 571 N -0.40 0.12 0.55 1.98 0.00 -0.25 -1.10 121.76 122.66 2wbk s ALA 571 Ca 0.02 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 2wbk s ALA 571 Cb 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 2wbk s ALA 571 CO 0.04 -0.00 1.02 0.00 0.00 0.00 0.00 175.76 176.81 2wbk s ALA 572 N 0.24 2.93 0.61 0.00 0.00 -1.26 -4.37 121.76 119.90 2wbk s ALA 572 Ca -0.02 0.26 0.36 0.00 0.00 0.00 0.00 51.96 52.56 2wbk s ALA 572 Cb -0.04 -3.17 2.06 0.00 0.00 0.00 0.00 23.12 21.98 2wbk s ALA 572 CO -0.01 -0.50 2.30 -1.35 0.00 0.00 0.00 175.76 176.20 2wbk h PRO 573 N 0.65 0.00 0.00 0.00 0.11 -1.98 0.44 132.00 131.22 2wbk h PRO 573 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2wbk h PRO 573 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wbk h PRO 573 CO 0.60 0.01 -0.03 1.05 -0.21 0.00 0.00 178.00 179.41 2wbk h GLU 574 N 0.00 0.00 -0.34 1.05 4.11 -2.06 -2.40 114.58 114.95 2wbk h GLU 574 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2wbk h GLU 574 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2wbk h GLU 574 CO 0.00 0.03 0.00 -0.25 0.07 0.00 0.00 179.01 178.86 2wbk n ASP 575 N -3.28 2.82 -3.67 3.06 8.00 0.15 -4.81 116.55 118.83 2wbk n ASP 575 Ca -0.02 -1.91 -0.43 0.00 0.71 0.00 0.00 54.79 53.15 2wbk n ASP 575 Cb 0.17 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2wbk n ASP 575 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wbk n TYR 576 N 1.07 2.60 -3.99 1.24 4.01 -0.91 -4.56 117.16 116.62 2wbk n TYR 576 Ca 0.18 -2.32 -0.13 0.00 -0.16 0.00 0.00 57.90 55.47 2wbk n TYR 576 Cb 0.50 -2.08 -0.13 0.00 -0.31 0.00 0.00 39.34 37.32 2wbk n TYR 576 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2wbk s GLN 577 N 4.20 0.22 0.25 -0.72 1.11 -1.26 -4.77 119.66 118.69 2wbk s GLN 577 Ca 0.53 -0.21 -0.04 0.00 0.01 0.00 0.00 55.36 55.64 2wbk s GLN 577 Cb 0.14 -0.14 0.46 0.00 -1.01 0.00 0.00 33.01 32.47 2wbk s GLN 577 CO 0.03 0.03 1.72 0.82 0.01 0.00 0.00 175.29 177.90 2wbk h ILE 578 N 4.98 0.64 -0.55 1.08 2.04 -1.98 -2.72 117.51 120.99 2wbk h ILE 578 Ca -0.27 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 2wbk h ILE 578 Cb 1.20 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 2wbk h ILE 578 CO 0.48 0.08 0.12 -0.62 0.00 0.00 0.00 178.15 178.21 2wbk n GLU 579 N -5.02 3.49 -1.49 2.37 -0.58 -1.26 -4.40 120.64 113.75 2wbk n GLU 579 Ca 0.14 -3.05 -0.32 0.00 -0.42 0.00 0.00 57.16 53.51 2wbk n GLU 579 Cb 0.43 -2.09 0.07 0.00 -0.57 0.00 0.00 31.44 29.28 2wbk n GLU 579 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2wbk s SER 580 N -1.41 4.77 0.22 1.62 1.04 -1.03 -4.81 113.70 114.10 2wbk s SER 580 Ca 0.51 1.91 -0.09 0.00 0.48 0.00 0.00 55.95 58.76 2wbk s SER 580 Cb 0.41 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 64.22 2wbk s SER 580 CO 0.11 -1.86 1.85 -0.08 0.98 0.00 0.00 173.24 174.25 2wbk h GLU 581 N -0.59 0.89 -0.34 4.02 4.81 -1.91 -0.20 114.58 121.27 2wbk h GLU 581 Ca -0.45 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.66 2wbk h GLU 581 Cb 1.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2wbk h GLU 581 CO 0.53 0.59 -0.06 0.28 -0.73 0.00 0.00 179.01 179.62 2wbk h VAL 582 N 0.92 1.27 -0.55 0.32 2.07 -1.90 -1.23 116.25 117.15 2wbk h VAL 582 Ca 0.31 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.80 2wbk h VAL 582 Cb 0.04 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2wbk h VAL 582 CO -0.12 0.35 0.27 -0.03 0.02 0.00 0.00 177.57 178.06 2wbk h MET 583 N 0.42 0.49 -0.35 1.57 1.85 -1.73 -1.73 114.93 115.45 2wbk h MET 583 Ca 0.09 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 2wbk h MET 583 Cb 0.54 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 2wbk h MET 583 CO 0.03 0.32 0.12 -0.91 -0.40 0.00 0.00 176.91 176.07 2wbk h ASN 584 N 0.51 0.45 -0.00 1.39 -0.26 -0.83 -0.42 115.58 116.41 2wbk h ASN 584 Ca 0.25 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 2wbk h ASN 584 Cb 0.20 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 2wbk h ASN 584 CO -0.20 0.43 0.13 0.00 -1.06 0.00 0.00 177.43 176.74 2wbk h ALA 585 N 1.64 1.15 -0.12 -0.83 0.00 -0.28 -2.18 119.26 118.64 2wbk h ALA 585 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2wbk h ALA 585 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wbk h ALA 585 CO -0.01 -0.14 -0.08 0.72 0.00 0.00 0.00 179.25 179.74 2wbk n HIS 586 N -3.03 0.41 -3.69 0.00 8.25 -0.18 -4.79 115.22 112.19 2wbk n HIS 586 Ca -0.02 -1.12 -0.29 0.00 -0.26 0.00 0.00 57.72 56.02 2wbk n HIS 586 Cb 0.20 -0.26 -0.15 0.00 1.12 0.00 0.00 29.99 30.90 2wbk n HIS 586 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wbk s GLN 587 N -2.97 0.58 0.00 -0.41 2.00 -0.82 -1.12 119.66 116.92 2wbk s GLN 587 Ca 0.37 -0.84 0.23 0.00 -2.00 0.00 0.00 55.36 53.13 2wbk s GLN 587 Cb 0.33 -1.81 0.74 0.00 0.80 0.00 0.00 33.01 33.07 2wbk s GLN 587 CO 0.03 -0.94 1.56 1.63 -0.50 0.00 0.00 175.29 177.07 2wbk n LYS 588 N 4.98 1.86 -3.38 1.67 4.76 -1.26 -4.71 118.16 122.07 2wbk n LYS 588 Ca -0.04 -1.28 -0.41 0.00 -2.87 0.00 0.00 58.31 53.71 2wbk n LYS 588 Cb 0.43 -1.44 -0.09 0.00 -1.84 0.00 0.00 35.03 32.09 2wbk n LYS 588 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wbk s SER 589 N -1.71 6.20 0.41 4.39 0.15 -1.25 -4.74 113.70 117.14 2wbk s SER 589 Ca 0.34 -0.16 0.22 0.00 0.70 0.00 0.00 55.95 57.05 2wbk s SER 589 Cb 0.19 -2.20 0.77 0.00 -1.71 0.00 0.00 66.02 63.06 2wbk s SER 589 CO 0.29 -0.34 1.76 0.77 1.20 0.00 0.00 173.24 176.93 2wbk h SER 590 N 8.44 0.00 0.02 5.45 4.64 -1.96 -1.96 113.55 128.17 2wbk h SER 590 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2wbk h SER 590 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2wbk h SER 590 CO 0.70 0.29 -0.07 2.30 -0.87 0.00 0.00 176.83 179.17 2wbk n ILE 591 N -3.41 0.00 -0.18 0.95 -6.64 -1.26 -4.70 119.36 104.11 2wbk n ILE 591 Ca 0.00 -0.30 -0.08 0.00 -1.77 0.00 0.00 62.75 60.61 2wbk n ILE 591 Cb 0.48 0.81 0.02 0.00 -1.44 0.00 0.00 39.64 39.51 2wbk n ILE 591 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2wbk h GLY 592 N 4.83 0.77 0.97 3.28 0.00 -1.77 -1.17 103.07 109.98 2wbk h GLY 592 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 2wbk h GLY 592 CO 0.00 0.34 -0.11 3.43 0.00 0.00 0.00 176.54 180.21 2wbk h ASN 593 N 0.68 0.75 0.01 0.19 2.35 -1.84 -0.92 115.58 116.80 2wbk h ASN 593 Ca 0.18 -0.37 -0.16 0.00 -0.55 0.00 0.00 56.30 55.40 2wbk h ASN 593 Cb 0.07 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2wbk h ASN 593 CO -0.03 0.95 -0.53 0.77 -1.65 0.00 0.00 177.43 176.94 2wbk h SER 594 N 0.55 0.63 -0.64 5.81 4.64 -1.88 -2.36 113.55 120.29 2wbk h SER 594 Ca 0.09 -0.33 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 2wbk h SER 594 Cb 0.63 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2wbk h SER 594 CO 0.04 1.05 0.21 0.25 -0.87 0.00 0.00 176.83 177.51 2wbk h LEU 595 N 0.44 0.92 -0.50 5.97 5.85 -0.98 0.36 115.31 127.37 2wbk h LEU 595 Ca 0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2wbk h LEU 595 Cb 1.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2wbk h LEU 595 CO 0.10 0.87 0.31 0.40 -0.34 0.00 0.00 178.44 179.79 2wbk h ILE 596 N 0.91 1.14 -0.48 4.05 2.04 -1.12 -0.06 117.51 123.99 2wbk h ILE 596 Ca 0.21 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2wbk h ILE 596 Cb 0.27 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2wbk h ILE 596 CO -0.01 0.14 0.18 0.03 0.00 0.00 0.00 178.15 178.49 2wbk h ARG 597 N 0.67 0.72 -0.35 2.37 3.08 -0.80 0.38 114.38 120.45 2wbk h ARG 597 Ca 0.18 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2wbk h ARG 597 Cb -0.04 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.84 2wbk h ARG 597 CO -0.04 0.66 -0.04 1.15 -1.07 0.00 0.00 179.97 180.64 2wbk h THR 598 N 0.63 0.70 -0.33 2.04 2.02 -0.09 -1.69 112.91 116.20 2wbk h THR 598 Ca 0.16 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 2wbk h THR 598 Cb 0.21 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2wbk h THR 598 CO -0.01 0.01 -0.15 1.88 0.37 0.00 0.00 175.52 177.62 2wbk h TYR 599 N 0.06 0.64 -0.69 3.16 -1.99 -0.69 -3.22 116.97 114.23 2wbk h TYR 599 Ca 0.17 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 2wbk h TYR 599 Cb 0.24 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 2wbk h TYR 599 CO -0.27 0.71 0.18 1.98 -0.00 0.00 0.00 178.16 180.76 2wbk h MET 600 N 0.53 1.10 -0.01 4.88 4.05 -0.16 -1.81 114.93 123.52 2wbk h MET 600 Ca 0.09 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2wbk h MET 600 Cb 0.57 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 2wbk h MET 600 CO 0.04 0.97 0.01 1.49 0.23 0.00 0.00 176.91 179.64 2wbk h GLU 601 N 1.04 0.01 0.00 0.39 4.22 -1.35 0.26 114.58 119.14 2wbk h GLU 601 Ca 0.22 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.66 2wbk h GLU 601 Cb 0.35 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2wbk h GLU 601 CO -0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 179.01 176.83 2wbk h ARG 602 N 0.01 0.00 0.00 1.92 3.08 -1.35 -3.35 114.38 114.69 2wbk h ARG 602 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wbk h ARG 602 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wbk h ARG 602 CO -0.00 0.01 -0.03 -0.25 -1.07 0.00 0.00 179.97 178.62 2wbk n ASP 603 N -3.11 0.17 -3.80 7.04 8.00 -0.55 -4.97 116.55 119.34 2wbk n ASP 603 Ca 0.00 -0.15 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 2wbk n ASP 603 Cb 0.30 0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 2wbk n ASP 603 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wbk s TYR 604 N -0.36 0.06 -0.35 1.24 2.02 0.79 -1.42 117.35 119.32 2wbk s TYR 604 Ca 0.00 -0.44 -0.27 0.00 -0.37 0.00 0.00 57.07 55.99 2wbk s TYR 604 Cb 0.00 0.02 0.01 0.00 -0.40 0.00 0.00 41.96 41.60 2wbk s TYR 604 CO 0.00 -0.58 0.96 0.42 -1.57 0.00 0.00 175.55 174.78 2wbk s ILE 605 N -3.77 4.58 -0.25 2.71 1.01 -1.26 -4.17 121.20 120.05 2wbk s ILE 605 Ca 0.04 1.37 -0.28 0.00 0.00 0.00 0.00 60.65 61.77 2wbk s ILE 605 Cb 0.04 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2wbk s ILE 605 CO -0.11 -0.49 2.08 -0.63 0.00 0.00 0.00 174.94 175.78 2wbk s ILE 606 N 3.49 3.16 0.81 2.92 1.01 -1.26 -4.96 121.20 126.38 2wbk s ILE 606 Ca 0.40 0.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 2wbk s ILE 606 Cb -0.12 -3.21 0.08 0.00 0.01 0.00 0.00 42.46 39.22 2wbk s ILE 606 CO 0.17 -0.13 1.13 -2.84 0.00 0.00 0.00 174.94 173.27 2wbk s PRO 607 N 6.07 1.94 -0.05 2.79 0.02 -1.26 -5.03 135.00 139.49 2wbk s PRO 607 Ca 0.94 0.38 -0.17 0.00 0.02 0.00 0.00 61.00 62.16 2wbk s PRO 607 Cb -0.30 -1.92 -0.31 0.00 0.02 0.00 0.00 34.50 31.99 2wbk s PRO 607 CO 0.35 -1.66 0.78 0.93 -0.33 0.00 0.00 177.00 177.07 2wbk h GLU 608 N -1.11 0.36 -7.06 5.54 5.08 -1.94 -3.43 114.58 112.01 2wbk h GLU 608 Ca -0.47 -0.61 -0.44 0.00 -1.00 0.00 0.00 59.36 56.84 2wbk h GLU 608 Cb 1.30 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2wbk h GLU 608 CO 0.63 1.29 0.34 -1.54 -1.00 0.00 0.00 179.01 178.73 2wbk s SER 609 N -7.18 6.89 0.09 1.42 1.04 -1.26 -4.94 113.70 109.76 2wbk s SER 609 Ca -0.15 1.70 -0.21 0.00 0.48 0.00 0.00 55.95 57.77 2wbk s SER 609 Cb 0.03 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 2wbk s SER 609 CO 0.84 -0.39 1.67 0.15 0.98 0.00 0.00 173.24 176.49 2wbk h PHE 610 N 1.87 0.17 -0.62 5.02 3.57 -1.90 -1.18 116.94 123.87 2wbk h PHE 610 Ca -0.49 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.13 2wbk h PHE 610 Cb 1.18 -0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.77 2wbk h PHE 610 CO 0.62 0.21 0.05 0.93 -2.23 0.00 0.00 178.31 177.88 2wbk h GLU 611 N 0.08 0.16 -0.47 1.11 3.07 -1.93 -0.82 114.58 115.78 2wbk h GLU 611 Ca 0.04 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 2wbk h GLU 611 Cb 0.10 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2wbk h GLU 611 CO -0.01 0.10 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.19 2wbk h ASP 612 N 0.16 0.81 -0.72 1.42 5.19 -1.83 -2.23 116.42 119.22 2wbk h ASP 612 Ca 0.33 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2wbk h ASP 612 Cb 0.52 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 2wbk h ASP 612 CO -0.49 0.92 0.42 0.15 -3.12 0.00 0.00 179.24 177.12 2wbk h PHE 613 N 0.75 0.96 -0.13 4.55 3.57 0.02 -0.03 116.94 126.63 2wbk h PHE 613 Ca 0.13 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2wbk h PHE 613 Cb 0.57 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wbk h PHE 613 CO 0.03 0.66 -0.00 0.28 -2.23 0.00 0.00 178.31 177.05 2wbk h VAL 614 N 0.98 1.25 -0.11 1.41 2.07 -1.01 0.58 116.25 121.43 2wbk h VAL 614 Ca 0.26 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2wbk h VAL 614 Cb -0.01 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2wbk h VAL 614 CO -0.05 0.24 -0.15 0.22 0.02 0.00 0.00 177.57 177.86 2wbk h TYR 615 N -0.03 -0.38 -0.10 1.57 3.20 -1.33 0.58 116.97 120.48 2wbk h TYR 615 Ca 0.04 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2wbk h TYR 615 Cb 0.37 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2wbk h TYR 615 CO 0.03 -0.22 -0.36 0.28 -1.64 0.00 0.00 178.16 176.26 2wbk h VAL 616 N -0.19 1.28 -0.81 1.81 2.07 -0.75 -2.01 116.25 117.65 2wbk h VAL 616 Ca 0.08 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.27 2wbk h VAL 616 Cb 0.32 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 2wbk h VAL 616 CO -0.22 0.41 0.53 1.23 0.02 0.00 0.00 177.57 179.54 2wbk h GLY 617 N 1.14 1.14 0.76 2.17 0.00 0.86 0.69 103.07 109.83 2wbk h GLY 617 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2wbk h GLY 617 CO 0.05 0.34 -0.02 1.41 0.00 0.00 0.00 176.54 178.32 2wbk h LEU 618 N 1.00 0.27 -0.32 3.11 3.38 -0.35 -2.47 115.31 119.93 2wbk h LEU 618 Ca 0.32 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wbk h LEU 618 Cb 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2wbk h LEU 618 CO -0.09 0.55 0.19 0.58 0.09 0.00 0.00 178.44 179.76 2wbk h VAL 619 N -0.02 1.05 -0.23 1.22 2.07 -0.88 -1.83 116.25 117.63 2wbk h VAL 619 Ca 0.04 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.48 2wbk h VAL 619 Cb 0.43 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2wbk h VAL 619 CO 0.01 0.07 -0.17 0.25 0.02 0.00 0.00 177.57 177.75 2wbk h LEU 620 N 0.40 -0.56 -0.28 2.57 5.85 -0.88 0.93 115.31 123.34 2wbk h LEU 620 Ca 0.12 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2wbk h LEU 620 Cb -0.02 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2wbk h LEU 620 CO -0.05 -0.21 0.15 -0.61 -0.34 0.00 0.00 178.44 177.38 2wbk h GLN 621 N -0.17 0.39 -0.69 1.25 4.15 -1.26 -0.67 115.11 118.10 2wbk h GLN 621 Ca 0.13 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 2wbk h GLN 621 Cb 0.37 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 2wbk h GLN 621 CO -0.33 0.34 0.35 0.78 -1.93 0.00 0.00 178.83 178.04 2wbk h GLY 622 N 0.33 1.06 0.80 2.39 0.00 -0.86 -1.74 103.07 105.05 2wbk h GLY 622 Ca 0.10 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 2wbk h GLY 622 CO -0.02 0.49 -0.42 1.46 0.00 0.00 0.00 176.54 178.05 2wbk h GLN 623 N 0.96 0.45 -0.19 4.80 1.08 -0.65 -2.04 115.11 119.53 2wbk h GLN 623 Ca 0.24 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 2wbk h GLN 623 Cb 0.09 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2wbk h GLN 623 CO -0.03 0.99 0.03 0.78 -0.95 0.00 0.00 178.83 179.65 2wbk h GLY 624 N 0.02 0.33 0.95 3.46 0.00 -1.12 -2.87 103.07 103.83 2wbk h GLY 624 Ca -0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2wbk h GLY 624 CO 0.09 0.20 0.06 -0.33 0.00 0.00 0.00 176.54 176.56 2wbk h MET 625 N 0.10 0.72 -0.82 4.80 2.86 -1.39 -2.84 114.93 118.36 2wbk h MET 625 Ca 0.06 -0.20 0.10 0.00 -2.06 0.00 0.00 59.70 57.60 2wbk h MET 625 Cb 0.30 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 2wbk h MET 625 CO 0.00 0.76 0.54 -0.09 1.06 0.00 0.00 176.91 179.18 2wbk h ARG 626 N 0.57 0.73 -0.86 1.72 1.12 -1.40 -0.51 114.38 115.75 2wbk h ARG 626 Ca 0.13 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.92 2wbk h ARG 626 Cb 0.40 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.15 2wbk h ARG 626 CO 0.01 0.48 0.42 1.25 -3.11 0.00 0.00 179.97 179.02 2wbk h HIS 627 N 0.75 1.23 0.22 2.20 2.76 -1.27 0.16 115.15 121.21 2wbk h HIS 627 Ca 0.38 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 2wbk h HIS 627 Cb 0.47 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2wbk h HIS 627 CO -0.00 0.89 -0.11 0.78 -1.30 0.00 0.00 177.93 178.19 2wbk h GLY 628 N 1.22 -0.32 0.42 5.26 0.00 -1.02 -1.93 103.07 106.71 2wbk h GLY 628 Ca 0.30 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.82 2wbk h GLY 628 CO -0.04 -0.11 0.17 1.41 0.00 0.00 0.00 176.54 177.97 2wbk h LEU 629 N -0.32 0.15 -0.17 3.11 3.38 -0.69 -1.00 115.31 119.76 2wbk h LEU 629 Ca -0.03 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2wbk h LEU 629 Cb 0.25 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2wbk h LEU 629 CO 0.05 0.10 -0.22 -0.33 0.09 0.00 0.00 178.44 178.13 2wbk h GLU 630 N 0.34 -0.25 -0.96 1.13 5.08 -0.97 -1.94 114.58 117.02 2wbk h GLU 630 Ca 0.27 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 2wbk h GLU 630 Cb 0.32 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2wbk h GLU 630 CO -0.29 -0.16 0.59 0.00 -1.00 0.00 0.00 179.01 178.14 2wbk h ALA 631 N 0.76 1.44 0.01 3.43 0.00 -0.66 0.33 119.26 124.57 2wbk h ALA 631 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wbk h ALA 631 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wbk h ALA 631 CO -0.32 0.17 -0.00 0.45 0.00 0.00 0.00 179.25 179.55 2wbk h HIS 632 N 0.92 -0.01 -0.68 0.00 3.86 -0.78 -0.99 115.15 117.47 2wbk h HIS 632 Ca 0.48 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.78 2wbk h HIS 632 Cb 0.49 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.90 2wbk h HIS 632 CO -0.02 0.47 0.33 0.00 0.86 0.00 0.00 177.93 179.57 2wbk h ARG 633 N -0.49 0.56 -0.21 2.45 3.08 -1.06 -2.74 114.38 115.97 2wbk h ARG 633 Ca -0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2wbk h ARG 633 Cb 0.48 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2wbk h ARG 633 CO 0.00 0.37 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.12 2wbk h ARG 634 N 0.58 0.33 -0.67 0.04 2.43 -0.09 -2.52 114.38 114.48 2wbk h ARG 634 Ca 0.33 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2wbk h ARG 634 Cb 0.33 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2wbk h ARG 634 CO -0.26 0.41 0.00 0.09 -1.51 0.00 0.00 179.97 178.70 2wbk n ASN 635 N -4.30 4.46 -4.77 -3.80 3.02 -0.40 -4.78 115.26 104.69 2wbk n ASN 635 Ca 0.00 -2.64 -0.40 0.00 -0.03 0.00 0.00 54.58 51.51 2wbk n ASN 635 Cb 0.24 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 2wbk n ASN 635 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wbk s ARG 636 N -2.24 4.44 0.00 3.52 3.52 -0.95 -1.67 118.95 125.56 2wbk s ARG 636 Ca 0.41 2.00 0.26 0.00 -0.13 0.00 0.00 55.73 58.27 2wbk s ARG 636 Cb 0.30 -3.07 0.73 0.00 -1.56 0.00 0.00 34.95 31.35 2wbk s ARG 636 CO 0.13 -0.04 1.56 -0.35 -0.81 0.00 0.00 175.30 175.79 2wbk n PRO 637 N 0.87 0.43 -0.24 5.12 -0.04 -1.26 -4.53 135.00 135.35 2wbk n PRO 637 Ca 0.00 -0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2wbk n PRO 637 Cb 0.44 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.52 2wbk n PRO 637 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2wbk h TYR 638 N 0.57 0.65 -3.06 0.54 3.20 -1.89 -3.38 116.97 113.59 2wbk h TYR 638 Ca 0.00 0.03 -0.63 0.00 3.14 0.00 0.00 58.73 61.27 2wbk h TYR 638 Cb 0.49 -0.19 -0.11 0.00 1.54 0.00 0.00 36.73 38.46 2wbk h TYR 638 CO 0.00 0.27 -0.50 0.00 -1.64 0.00 0.00 178.16 176.29 2wbk n MET 640 N 2.95 2.13 0.00 0.00 2.81 -0.50 -3.75 117.12 120.76 2wbk n MET 640 Ca -0.18 -1.86 0.00 0.00 -1.81 0.00 0.00 57.70 53.86 2wbk n MET 640 Cb 0.53 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 2wbk n MET 640 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wbk n GLY 641 N -0.82 0.82 3.12 3.03 0.00 -1.26 -2.11 105.19 107.97 2wbk n GLY 641 Ca 0.06 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 2wbk n GLY 641 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wbk s THR 642 N -2.00 -0.39 -0.26 2.61 -1.32 -0.28 -0.52 115.64 113.48 2wbk s THR 642 Ca 0.00 0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 2wbk s THR 642 Cb 0.00 -0.52 0.08 0.00 -1.51 0.00 0.00 72.50 70.54 2wbk s THR 642 CO 0.00 0.09 0.00 -0.76 -2.21 0.00 0.00 174.62 171.74 2wbk s LEU 643 N 2.20 2.72 0.52 9.08 1.43 0.14 -2.31 118.68 132.47 2wbk s LEU 643 Ca -0.02 -1.40 -0.17 0.00 -1.03 0.00 0.00 54.13 51.50 2wbk s LEU 643 Cb -0.11 -1.13 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 2wbk s LEU 643 CO -0.10 -0.30 1.01 -0.72 0.23 0.00 0.00 176.35 176.46 2wbk s TYR 644 N 1.41 3.25 -0.29 0.29 1.13 -1.06 -3.22 117.35 118.87 2wbk s TYR 644 Ca 0.01 1.51 -0.10 0.00 -1.41 0.00 0.00 57.07 57.07 2wbk s TYR 644 Cb -0.18 -2.89 -0.03 0.00 -1.10 0.00 0.00 41.96 37.76 2wbk s TYR 644 CO -0.11 -0.60 0.16 -0.46 -2.51 0.00 0.00 175.55 172.03 2wbk s TRP 645 N -2.46 3.18 0.11 -3.49 -0.11 0.13 -0.72 118.94 115.58 2wbk s TRP 645 Ca 0.61 -0.22 -0.03 0.00 1.22 0.00 0.00 56.10 57.69 2wbk s TRP 645 Cb -0.12 -2.35 -0.03 0.00 -1.50 0.00 0.00 33.47 29.46 2wbk s TRP 645 CO 0.30 -0.30 0.08 1.14 -4.62 0.00 0.00 176.95 173.54 2wbk s GLN 646 N 1.69 0.87 0.05 5.86 -2.07 -0.95 -4.06 119.66 121.04 2wbk s GLN 646 Ca 0.06 -1.30 -0.19 0.00 -1.82 0.00 0.00 55.36 52.11 2wbk s GLN 646 Cb -0.16 0.26 -0.13 0.00 -1.09 0.00 0.00 33.01 31.89 2wbk s GLN 646 CO 0.08 -0.25 1.36 1.25 -1.32 0.00 0.00 175.29 176.41 2wbk h LEU 647 N 2.88 0.45 -8.52 2.60 5.85 -1.00 -2.21 115.31 115.37 2wbk h LEU 647 Ca -0.34 -0.48 -0.26 0.00 0.84 0.00 0.00 57.88 57.64 2wbk h LEU 647 Cb 1.19 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2wbk h LEU 647 CO 0.59 0.84 -0.24 0.54 -0.34 0.00 0.00 178.44 179.83 2wbk s ASN 648 N -6.21 0.76 0.05 1.25 4.22 -1.26 -1.67 114.94 112.07 2wbk s ASN 648 Ca -0.14 -1.42 0.06 0.00 -2.14 0.00 0.00 52.86 49.23 2wbk s ASN 648 Cb 0.06 0.62 -0.02 0.00 1.28 0.00 0.00 41.25 43.18 2wbk s ASN 648 CO 0.77 -1.22 -0.18 -1.81 -2.04 0.00 0.00 177.10 172.62 2wbk s ASP 649 N -3.21 2.15 0.00 3.54 1.01 -1.23 -4.70 116.67 114.23 2wbk s ASP 649 Ca 0.31 -0.51 0.26 0.00 0.71 0.00 0.00 52.55 53.31 2wbk s ASP 649 Cb 0.00 -0.16 0.61 0.00 1.01 0.00 0.00 42.92 44.38 2wbk s ASP 649 CO 0.18 0.10 1.48 -1.54 0.21 0.00 0.00 175.17 175.60 2wbk n SER 650 N 1.80 0.74 -3.61 0.27 3.41 -1.22 -4.50 113.62 110.51 2wbk n SER 650 Ca -0.18 -0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 57.88 2wbk n SER 650 Cb 0.54 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 2wbk n SER 650 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2wbk s TRP 651 N -2.78 -0.01 -0.22 7.33 1.48 -1.26 -1.45 118.94 122.03 2wbk s TRP 651 Ca 0.17 -0.23 -0.29 0.00 -1.06 0.00 0.00 56.10 54.69 2wbk s TRP 651 Cb 0.18 0.62 -0.02 0.00 -1.16 0.00 0.00 33.47 33.09 2wbk s TRP 651 CO 0.62 -0.59 1.56 -2.14 -4.06 0.00 0.00 176.95 172.34 2wbk s PRO 652 N -2.45 3.86 -0.00 3.25 0.02 -1.26 -4.37 135.00 134.05 2wbk s PRO 652 Ca 0.19 1.64 -0.28 0.00 0.02 0.00 0.00 61.00 62.57 2wbk s PRO 652 Cb 0.00 -4.00 0.10 0.00 0.02 0.00 0.00 34.50 30.62 2wbk s PRO 652 CO 0.01 -1.21 0.85 0.54 -0.33 0.00 0.00 177.00 176.86 2wbk s VAL 653 N 4.93 0.00 -0.06 3.83 0.11 -1.26 -4.93 120.40 123.02 2wbk s VAL 653 Ca 0.69 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.45 2wbk s VAL 653 Cb -0.24 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 2wbk s VAL 653 CO 0.28 0.00 0.92 -0.69 -3.33 0.00 0.00 175.10 172.28 2wbk s VAL 654 N -2.88 4.88 0.07 2.04 1.01 -0.28 -4.45 120.40 120.79 2wbk s VAL 654 Ca 0.03 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.90 2wbk s VAL 654 Cb -0.01 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.13 2wbk s VAL 654 CO -0.07 0.12 0.12 -1.54 0.00 0.00 0.00 175.10 173.72 2wbk n SER 655 N 4.34 -0.34 -0.53 3.32 3.41 -1.15 -4.64 113.62 118.03 2wbk n SER 655 Ca 0.05 -1.34 0.07 0.00 -0.26 0.00 0.00 58.87 57.39 2wbk n SER 655 Cb 0.50 0.59 0.23 0.00 -0.26 0.00 0.00 64.21 65.27 2wbk n SER 655 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2wbk n TRP 656 N -0.11 0.33 -1.35 7.33 8.01 -1.26 -0.46 117.44 129.93 2wbk n TRP 656 Ca -0.01 -0.17 -0.33 0.00 -1.31 0.00 0.00 57.50 55.69 2wbk n TRP 656 Cb 0.11 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.51 2wbk n TRP 656 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2wbk s SER 657 N -1.19 4.27 0.04 -0.99 1.04 -1.25 -2.25 113.70 113.38 2wbk s SER 657 Ca 0.24 2.11 0.22 0.00 0.48 0.00 0.00 55.95 59.01 2wbk s SER 657 Cb 0.13 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.57 2wbk s SER 657 CO 0.18 -2.20 0.83 -1.54 0.98 0.00 0.00 173.24 171.49 2wbk n SER 658 N -3.09 0.49 -3.91 7.02 3.41 -0.83 -4.81 113.62 111.89 2wbk n SER 658 Ca 0.11 -0.13 -0.23 0.00 -0.26 0.00 0.00 58.87 58.36 2wbk n SER 658 Cb 0.52 1.16 -0.17 0.00 -0.26 0.00 0.00 64.21 65.46 2wbk n SER 658 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wbk s ILE 659 N -3.31 0.80 0.90 -1.33 1.01 -0.67 -0.02 121.20 118.58 2wbk s ILE 659 Ca -0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 2wbk s ILE 659 Cb 0.14 -0.81 0.14 0.00 0.01 0.00 0.00 42.46 41.94 2wbk s ILE 659 CO 0.84 0.30 1.20 1.51 0.00 0.00 0.00 174.94 178.80 2wbk s ASP 660 N 1.20 3.63 0.38 3.58 1.47 -0.48 -3.58 116.67 122.88 2wbk s ASP 660 Ca -0.06 0.68 0.19 0.00 1.18 0.00 0.00 52.55 54.54 2wbk s ASP 660 Cb -0.14 -1.06 1.14 0.00 -0.34 0.00 0.00 42.92 42.52 2wbk s ASP 660 CO -0.02 -2.44 1.71 0.22 0.68 0.00 0.00 175.17 175.32 2wbk h TYR 661 N -1.43 0.74 -0.01 2.11 3.20 -1.80 0.13 116.97 119.91 2wbk h TYR 661 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2wbk h TYR 661 Cb 1.30 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.37 2wbk h TYR 661 CO -0.25 -0.04 -0.02 0.66 -1.64 0.00 0.00 178.16 176.88 2wbk n TYR 662 N -4.76 0.00 -0.54 -3.82 4.01 -1.26 -4.91 117.16 105.88 2wbk n TYR 662 Ca 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 2wbk n TYR 662 Cb 1.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 2wbk n TYR 662 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wbk n GLY 663 N 1.11 0.74 3.70 2.72 0.00 0.44 -3.99 105.19 109.92 2wbk n GLY 663 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2wbk n GLY 663 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wbk s ASN 664 N -2.22 6.99 0.04 1.61 0.01 -1.26 -4.79 114.94 115.34 2wbk s ASN 664 Ca 0.00 2.01 -0.31 0.00 -0.71 0.00 0.00 52.86 53.86 2wbk s ASN 664 Cb 0.00 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 2wbk s ASN 664 CO 0.00 -0.57 1.52 0.26 -1.51 0.00 0.00 177.10 176.79 2wbk s TRP 665 N 1.68 2.68 0.92 2.20 0.52 -1.26 -1.38 118.94 124.30 2wbk s TRP 665 Ca 0.60 0.59 -0.12 0.00 0.02 0.00 0.00 56.10 57.19 2wbk s TRP 665 Cb -0.29 -3.81 0.14 0.00 -1.15 0.00 0.00 33.47 28.36 2wbk s TRP 665 CO 0.27 -3.11 1.13 0.15 0.02 0.00 0.00 176.95 175.40 2wbk s LYS 666 N 2.40 1.09 0.30 4.98 1.02 0.97 -4.91 119.74 125.59 2wbk s LYS 666 Ca 0.69 0.36 0.04 0.00 0.02 0.00 0.00 55.97 57.08 2wbk s LYS 666 Cb -0.36 -1.83 0.66 0.00 -0.52 0.00 0.00 37.83 35.79 2wbk s LYS 666 CO 0.29 -2.25 1.80 0.00 -0.92 0.00 0.00 175.35 174.28 2wbk h ALA 667 N -1.54 1.61 -0.97 5.17 0.00 -1.85 -1.23 119.26 120.45 2wbk h ALA 667 Ca -0.51 0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.64 2wbk h ALA 667 Cb 1.33 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2wbk h ALA 667 CO 0.61 0.07 0.61 1.25 0.00 0.00 0.00 179.25 181.79 2wbk h LEU 668 N 0.86 0.68 -0.30 0.00 5.85 -1.84 -0.71 115.31 119.86 2wbk h LEU 668 Ca 0.54 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.30 2wbk h LEU 668 Cb 0.73 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2wbk h LEU 668 CO -0.33 0.27 0.04 -0.74 -0.34 0.00 0.00 178.44 177.34 2wbk h HIS 669 N 0.68 0.54 -0.60 1.25 2.76 -1.31 0.67 115.15 119.13 2wbk h HIS 669 Ca 0.53 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.67 2wbk h HIS 669 Cb 0.93 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 2wbk h HIS 669 CO -0.00 0.60 0.34 1.88 -1.30 0.00 0.00 177.93 179.45 2wbk h TYR 670 N 0.32 0.63 0.00 5.26 0.05 -1.49 -1.25 116.97 120.49 2wbk h TYR 670 Ca 0.09 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.84 2wbk h TYR 670 Cb 0.36 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2wbk h TYR 670 CO 0.02 0.33 -0.25 1.96 -1.05 0.00 0.00 178.16 179.18 2wbk h GLN 671 N 0.66 0.00 -0.03 4.88 1.08 -0.89 -1.39 115.11 119.41 2wbk h GLN 671 Ca 0.26 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.36 2wbk h GLN 671 Cb 0.10 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2wbk h GLN 671 CO -0.14 0.25 -0.34 0.00 -0.95 0.00 0.00 178.83 177.65 2wbk h ALA 672 N 1.75 0.08 -0.26 3.87 0.00 -0.38 -1.06 119.26 123.25 2wbk h ALA 672 Ca -0.00 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.50 2wbk h ALA 672 Cb 0.51 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2wbk h ALA 672 CO 0.03 0.18 -0.31 -0.22 0.00 0.00 0.00 179.25 178.93 2wbk h LYS 673 N -0.27 -0.30 -0.20 0.00 3.64 -0.95 -0.35 116.57 118.13 2wbk h LYS 673 Ca -0.03 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2wbk h LYS 673 Cb 1.04 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2wbk h LYS 673 CO 0.07 -0.20 0.04 0.00 -2.27 0.00 0.00 179.45 177.09 2wbk h ARG 674 N -0.31 0.12 0.00 1.90 3.08 -1.22 -2.00 114.38 115.95 2wbk h ARG 674 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wbk h ARG 674 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2wbk h ARG 674 CO -0.44 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 178.54 2wbk h ALA 675 N 1.15 1.00 -0.02 0.04 0.00 -0.73 -2.26 119.26 118.44 2wbk h ALA 675 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wbk h ALA 675 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wbk h ALA 675 CO -0.12 0.00 -0.12 1.19 0.00 0.00 0.00 179.25 180.20 2wbk n PHE 676 N -2.60 0.00 -1.58 0.00 3.72 -0.18 -4.77 117.46 112.05 2wbk n PHE 676 Ca 0.00 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 2wbk n PHE 676 Cb 0.20 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 2wbk n PHE 676 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wbk n ALA 677 N 0.53 -0.76 -0.32 4.37 0.00 -0.79 -4.81 120.51 118.73 2wbk n ALA 677 Ca 0.08 0.45 0.21 0.00 0.00 0.00 0.00 53.44 54.18 2wbk n ALA 677 Cb 0.38 -2.01 0.47 0.00 0.00 0.00 0.00 19.45 18.28 2wbk n ALA 677 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wbk h PRO 678 N 3.10 0.45 -5.07 0.00 0.11 -1.91 -3.34 132.00 125.35 2wbk h PRO 678 Ca -0.42 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 64.99 2wbk h PRO 678 Cb 1.35 -0.10 -0.33 0.00 0.11 0.00 0.00 31.00 32.03 2wbk h PRO 678 CO 0.68 0.30 -0.82 0.08 -0.21 0.00 0.00 178.00 178.03 2wbk s VAL 679 N -5.57 2.45 -0.08 3.15 1.01 -1.26 -0.61 120.40 119.48 2wbk s VAL 679 Ca -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2wbk s VAL 679 Cb 0.25 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2wbk s VAL 679 CO 0.80 0.51 -0.17 -0.22 0.00 0.00 0.00 175.10 176.01 2wbk s LEU 680 N 1.25 1.83 -0.19 3.92 2.96 0.76 -4.88 118.68 124.33 2wbk s LEU 680 Ca 0.03 -0.41 -0.23 0.00 -0.22 0.00 0.00 54.13 53.30 2wbk s LEU 680 Cb -0.14 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 2wbk s LEU 680 CO -0.08 0.08 0.74 -0.63 -1.32 0.00 0.00 176.35 175.13 2wbk s ILE 681 N 0.55 4.94 -0.44 6.68 1.01 -1.26 -0.77 121.20 131.92 2wbk s ILE 681 Ca -0.16 1.41 0.03 0.00 0.00 0.00 0.00 60.65 61.94 2wbk s ILE 681 Cb -0.17 -4.04 0.12 0.00 0.01 0.00 0.00 42.46 38.38 2wbk s ILE 681 CO 0.05 0.05 0.18 0.21 0.00 0.00 0.00 174.94 175.44 2wbk s ASN 682 N 1.21 4.35 0.22 3.58 3.04 0.73 -4.77 114.94 123.29 2wbk s ASN 682 Ca 0.33 -2.60 -0.30 0.00 0.04 0.00 0.00 52.86 50.34 2wbk s ASN 682 Cb -0.16 -1.50 -0.08 0.00 -1.54 0.00 0.00 41.25 37.96 2wbk s ASN 682 CO 0.11 -0.30 1.08 -2.16 -3.04 0.00 0.00 177.10 172.79 2wbk s PRO 683 N 0.30 4.65 -0.07 0.43 0.04 -1.26 -1.20 135.00 137.89 2wbk s PRO 683 Ca 0.15 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 2wbk s PRO 683 Cb -0.23 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.10 2wbk s PRO 683 CO -0.04 0.18 0.12 -1.50 0.04 0.00 0.00 177.00 175.81 2wbk s ILE 684 N -0.68 -0.17 -0.21 0.56 1.10 -0.57 -4.98 121.20 116.24 2wbk s ILE 684 Ca 0.46 0.33 -0.04 0.00 -0.51 0.00 0.00 60.65 60.89 2wbk s ILE 684 Cb -0.30 -0.24 -0.01 0.00 0.15 0.00 0.00 42.46 42.06 2wbk s ILE 684 CO 0.37 0.14 -0.03 -1.58 -2.11 0.00 0.00 174.94 171.72 2wbk s GLN 685 N 1.96 3.47 0.02 3.50 0.74 -1.26 -2.23 119.66 125.86 2wbk s GLN 685 Ca 0.00 -0.59 -0.03 0.00 0.05 0.00 0.00 55.36 54.79 2wbk s GLN 685 Cb -0.12 -3.02 -0.01 0.00 1.10 0.00 0.00 33.01 30.95 2wbk s GLN 685 CO -0.05 -0.11 0.04 -0.65 -0.55 0.00 0.00 175.29 173.97 2wbk s GLN 686 N 1.27 0.42 -1.29 1.67 -0.21 -0.40 -4.93 119.66 116.19 2wbk s GLN 686 Ca 0.03 -0.60 -0.16 0.00 0.02 0.00 0.00 55.36 54.65 2wbk s GLN 686 Cb -0.14 0.16 0.01 0.00 1.00 0.00 0.00 33.01 34.03 2wbk s GLN 686 CO -0.01 -0.09 0.56 0.09 -2.12 0.00 0.00 175.29 173.73 2wbk n ASN 687 N 1.36 -2.81 -2.93 5.90 3.02 -1.26 -1.16 115.26 117.38 2wbk n ASN 687 Ca -0.22 -1.12 -0.19 0.00 -0.03 0.00 0.00 54.58 53.02 2wbk n ASN 687 Cb 0.56 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 37.10 2wbk n ASN 687 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2wbk n ASP 688 N -2.66 -4.11 -3.81 6.41 4.64 -1.26 -4.96 116.55 110.81 2wbk n ASP 688 Ca -0.19 -0.13 -0.11 0.00 -1.38 0.00 0.00 54.79 52.98 2wbk n ASP 688 Cb 0.62 -3.42 -0.08 0.00 -1.04 0.00 0.00 41.12 37.20 2wbk n ASP 688 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2wbk s SER 689 N -2.43 -0.05 -0.16 1.67 0.15 -0.31 -1.10 113.70 111.47 2wbk s SER 689 Ca 0.22 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.66 2wbk s SER 689 Cb -0.11 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 2wbk s SER 689 CO 0.27 -0.54 -0.18 -0.22 1.20 0.00 0.00 173.24 173.78 2wbk s LEU 690 N -1.87 2.28 0.26 3.45 2.96 -0.18 -1.28 118.68 124.31 2wbk s LEU 690 Ca -0.08 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 2wbk s LEU 690 Cb -0.02 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2wbk s LEU 690 CO -0.02 0.05 0.14 -0.44 -1.32 0.00 0.00 176.35 174.76 2wbk s SER 691 N 1.03 5.18 -0.07 3.68 0.01 -0.95 -0.19 113.70 122.39 2wbk s SER 691 Ca -0.02 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2wbk s SER 691 Cb -0.15 -1.19 0.02 0.00 0.21 0.00 0.00 66.02 64.92 2wbk s SER 691 CO -0.05 -0.05 -0.05 -0.69 0.41 0.00 0.00 173.24 172.81 2wbk s VAL 692 N -2.21 0.69 0.05 3.43 1.01 0.36 -1.52 120.40 122.21 2wbk s VAL 692 Ca 0.33 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2wbk s VAL 692 Cb -0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2wbk s VAL 692 CO 0.23 0.28 -0.08 -0.31 0.00 0.00 0.00 175.10 175.23 2wbk s TYR 693 N 1.28 2.83 -0.20 5.22 2.02 -0.34 -1.42 117.35 126.73 2wbk s TYR 693 Ca -0.05 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.50 2wbk s TYR 693 Cb -0.14 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 2wbk s TYR 693 CO -0.02 0.39 0.02 -0.51 -1.57 0.00 0.00 175.55 173.86 2wbk s LEU 694 N -1.77 3.40 -0.10 -1.29 1.43 -0.59 -0.19 118.68 119.57 2wbk s LEU 694 Ca 0.19 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2wbk s LEU 694 Cb -0.11 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2wbk s LEU 694 CO 0.11 0.07 -0.21 -0.63 0.23 0.00 0.00 176.35 175.92 2wbk s ILE 695 N 0.95 1.87 -0.02 -0.59 1.01 0.05 -2.38 121.20 122.10 2wbk s ILE 695 Ca 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2wbk s ILE 695 Cb -0.14 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.70 2wbk s ILE 695 CO 0.02 0.52 -0.02 -0.55 0.00 0.00 0.00 174.94 174.91 2wbk s SER 696 N 0.53 0.48 -0.11 3.58 0.15 -0.57 -0.17 113.70 117.59 2wbk s SER 696 Ca -0.15 -0.05 0.14 0.00 0.70 0.00 0.00 55.95 56.59 2wbk s SER 696 Cb -0.17 -0.21 0.42 0.00 -1.71 0.00 0.00 66.02 64.35 2wbk s SER 696 CO 0.05 -0.06 1.33 0.47 1.20 0.00 0.00 173.24 176.24 2wbk n ASP 697 N 3.82 3.40 -4.77 5.45 8.00 0.22 -2.31 116.55 130.36 2wbk n ASP 697 Ca -0.23 -2.64 -0.35 0.00 0.71 0.00 0.00 54.79 52.27 2wbk n ASP 697 Cb 0.52 -0.41 -0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2wbk n ASP 697 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2wbk s ARG 698 N -2.15 3.47 0.26 -1.24 0.52 -1.26 -4.74 118.95 113.82 2wbk s ARG 698 Ca 0.33 1.64 0.26 0.00 -0.52 0.00 0.00 55.73 57.44 2wbk s ARG 698 Cb 0.25 -2.11 0.74 0.00 0.52 0.00 0.00 34.95 34.35 2wbk s ARG 698 CO 0.10 -0.76 1.74 -0.07 0.02 0.00 0.00 175.30 176.34 2wbk h LEU 699 N 1.42 0.00 -9.53 2.53 3.38 -1.95 -2.69 115.31 108.47 2wbk h LEU 699 Ca -0.50 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.84 2wbk h LEU 699 Cb 1.26 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.90 2wbk h LEU 699 CO 0.58 0.00 -0.64 1.51 0.09 0.00 0.00 178.44 179.97 2wbk s ASP 700 N -4.86 5.11 0.09 -0.43 -4.77 -1.26 -4.76 116.67 105.79 2wbk s ASP 700 Ca 0.09 -0.18 -0.25 0.00 -3.30 0.00 0.00 52.55 48.91 2wbk s ASP 700 Cb 0.11 -1.24 -0.06 0.00 -1.09 0.00 0.00 42.92 40.64 2wbk s ASP 700 CO 0.60 0.15 0.77 -0.89 0.70 0.00 0.00 175.17 176.49 2wbk s THR 701 N -1.43 4.60 -0.10 2.11 2.01 -1.26 -3.88 115.64 117.69 2wbk s THR 701 Ca 0.27 1.65 -0.09 0.00 0.31 0.00 0.00 61.69 63.83 2wbk s THR 701 Cb -0.11 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2wbk s THR 701 CO 0.19 0.43 0.19 -0.04 -0.69 0.00 0.00 174.62 174.70 2wbk s MET 702 N -0.48 3.56 0.20 4.92 -1.94 0.60 -4.94 119.30 121.21 2wbk s MET 702 Ca 0.37 -0.03 0.09 0.00 -1.71 0.00 0.00 55.69 54.41 2wbk s MET 702 Cb -0.21 -3.21 -0.04 0.00 2.01 0.00 0.00 34.83 33.38 2wbk s MET 702 CO 0.24 0.74 -0.17 -1.21 -0.01 0.00 0.00 175.02 174.61 2wbk s GLU 703 N -0.98 1.35 -1.17 2.03 2.02 -1.26 1.00 118.70 121.69 2wbk s GLU 703 Ca 0.16 -1.53 -0.24 0.00 0.02 0.00 0.00 54.97 53.39 2wbk s GLU 703 Cb -0.13 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.80 2wbk s GLU 703 CO 0.06 0.24 0.75 0.00 0.02 0.00 0.00 175.26 176.34 2wbk n GLN 704 N -0.10 -1.05 -4.14 1.61 10.64 -0.91 -4.58 117.38 118.84 2wbk n GLN 704 Ca -0.10 0.36 -0.25 0.00 -1.83 0.00 0.00 57.00 55.19 2wbk n GLN 704 Cb 0.59 -3.75 -0.06 0.00 -0.86 0.00 0.00 30.24 26.16 2wbk n GLN 704 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2wbk s MET 705 N -6.35 2.75 -0.13 2.61 -1.94 -0.40 -1.96 119.30 113.87 2wbk s MET 705 Ca 0.47 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 2wbk s MET 705 Cb -0.19 -2.51 0.02 0.00 2.01 0.00 0.00 34.83 34.16 2wbk s MET 705 CO 0.89 0.44 -0.13 0.99 -0.01 0.00 0.00 175.02 177.20 2wbk s THR 706 N -1.92 1.48 -0.16 2.05 2.01 -0.37 -1.22 115.64 117.51 2wbk s THR 706 Ca 0.31 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.48 2wbk s THR 706 Cb -0.09 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 2wbk s THR 706 CO 0.23 0.44 0.76 -0.22 -0.69 0.00 0.00 174.62 175.14 2wbk s LEU 707 N 1.41 4.19 -0.01 4.42 2.96 -0.60 -1.39 118.68 129.66 2wbk s LEU 707 Ca 0.02 1.10 0.06 0.00 -0.22 0.00 0.00 54.13 55.09 2wbk s LEU 707 Cb -0.13 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 2wbk s LEU 707 CO -0.08 -0.32 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.74 2wbk s GLU 708 N 1.85 1.55 0.00 1.98 2.12 -0.34 -1.26 118.70 124.61 2wbk s GLU 708 Ca 0.36 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 2wbk s GLU 708 Cb -0.17 -1.50 -0.01 0.00 0.26 0.00 0.00 34.13 32.72 2wbk s GLU 708 CO 0.13 0.41 0.04 -1.64 -0.54 0.00 0.00 175.26 173.66 2wbk s MET 709 N -0.48 0.27 -0.11 4.30 -1.94 -0.60 -0.66 119.30 120.07 2wbk s MET 709 Ca 0.07 -0.32 -0.11 0.00 -1.71 0.00 0.00 55.69 53.62 2wbk s MET 709 Cb -0.07 0.10 0.03 0.00 2.01 0.00 0.00 34.83 36.90 2wbk s MET 709 CO -0.01 -0.05 0.31 -1.59 -0.01 0.00 0.00 175.02 173.67 2wbk s LYS 710 N -0.93 0.38 0.09 2.03 -2.85 -0.84 -0.70 119.74 116.92 2wbk s LYS 710 Ca -0.10 0.39 -0.24 0.00 -1.00 0.00 0.00 55.97 55.02 2wbk s LYS 710 Cb -0.06 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.83 2wbk s LYS 710 CO -0.00 -0.05 0.75 0.08 0.10 0.00 0.00 175.35 176.23 2wbk s VAL 711 N 0.08 4.60 -0.02 1.79 1.01 -1.26 -1.39 120.40 125.21 2wbk s VAL 711 Ca -0.01 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.60 2wbk s VAL 711 Cb -0.02 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2wbk s VAL 711 CO 0.01 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.80 2wbk s VAL 712 N -0.55 0.51 0.33 2.92 1.01 -0.35 -1.33 120.40 122.94 2wbk s VAL 712 Ca 0.36 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 2wbk s VAL 712 Cb -0.21 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 35.76 2wbk s VAL 712 CO 0.24 0.18 0.46 -0.90 0.00 0.00 0.00 175.10 175.07 2wbk n ASP 713 N 3.40 0.19 0.01 3.32 5.68 -0.40 -1.22 116.55 127.53 2wbk n ASP 713 Ca -0.19 -1.26 0.11 0.00 -0.50 0.00 0.00 54.79 52.95 2wbk n ASP 713 Cb 0.55 -0.33 0.49 0.00 -1.14 0.00 0.00 41.12 40.68 2wbk n ASP 713 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2wbk n PHE 714 N -2.44 0.04 0.90 2.11 3.72 -0.80 -2.81 117.46 118.19 2wbk n PHE 714 Ca 0.06 0.01 0.11 0.00 -0.05 0.00 0.00 57.45 57.58 2wbk n PHE 714 Cb 0.22 -0.52 -0.01 0.00 -0.94 0.00 0.00 39.48 38.23 2wbk n PHE 714 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wbk n ASP 715 N -1.53 0.78 0.00 4.37 8.00 -1.26 -1.37 116.55 125.53 2wbk n ASP 715 Ca 0.05 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2wbk n ASP 715 Cb 0.27 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 2wbk n ASP 715 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbk n GLY 716 N 1.47 1.12 3.65 0.44 0.00 -1.12 -4.77 105.19 105.98 2wbk n GLY 716 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2wbk n GLY 716 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wbk s LYS 717 N -0.21 4.23 0.62 1.61 0.00 -1.26 -4.75 119.74 119.97 2wbk s LYS 717 Ca 0.00 1.23 -0.18 0.00 0.00 0.00 0.00 55.97 57.02 2wbk s LYS 717 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 37.83 34.14 2wbk s LYS 717 CO 0.00 -0.62 1.04 2.41 0.00 0.00 0.00 175.35 178.17 2wbk n THR 718 N 5.34 4.02 -4.34 3.79 -1.04 -1.26 -1.28 114.28 119.51 2wbk n THR 718 Ca 0.10 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.40 2wbk n THR 718 Cb 0.46 -1.22 -0.16 0.00 -1.82 0.00 0.00 70.33 67.59 2wbk n THR 718 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wbk s LEU 719 N -2.58 1.48 0.00 -4.42 1.43 -0.44 -4.85 118.68 109.29 2wbk s LEU 719 Ca 0.78 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2wbk s LEU 719 Cb -0.41 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.22 2wbk s LEU 719 CO 0.45 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.63 2wbk n GLY 720 N 3.91 -1.00 2.95 -3.19 0.00 -1.26 -4.08 105.19 102.52 2wbk n GLY 720 Ca -0.24 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 2wbk n GLY 720 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wbk n LYS 721 N -0.19 0.94 -1.71 1.61 4.81 -1.26 -5.00 118.16 117.36 2wbk n LYS 721 Ca 0.00 -2.83 -0.42 0.00 -0.87 0.00 0.00 58.31 54.19 2wbk n LYS 721 Cb 0.00 0.54 -0.03 0.00 0.02 0.00 0.00 35.03 35.56 2wbk n LYS 721 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2wbk s LYS 722 N -3.62 4.14 -0.08 1.64 1.02 -1.26 -4.76 119.74 116.81 2wbk s LYS 722 Ca 0.12 2.60 -0.26 0.00 0.02 0.00 0.00 55.97 58.46 2wbk s LYS 722 Cb -0.01 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 2wbk s LYS 722 CO 0.08 -0.86 0.82 0.42 -0.92 0.00 0.00 175.35 174.89 2wbk s ILE 723 N 2.96 4.95 -0.04 2.17 1.01 0.12 -4.95 121.20 127.41 2wbk s ILE 723 Ca 0.82 1.67 0.07 0.00 0.00 0.00 0.00 60.65 63.21 2wbk s ILE 723 Cb -0.46 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 2wbk s ILE 723 CO 0.37 0.15 -0.25 -1.10 0.00 0.00 0.00 174.94 174.11 2wbk s GLN 724 N 1.29 2.40 -0.17 2.79 1.11 -1.26 -1.56 119.66 124.25 2wbk s GLN 724 Ca 0.42 -0.91 0.01 0.00 0.01 0.00 0.00 55.36 54.88 2wbk s GLN 724 Cb -0.18 -2.13 0.03 0.00 -1.01 0.00 0.00 33.01 29.72 2wbk s GLN 724 CO 0.19 0.45 -0.14 0.08 0.01 0.00 0.00 175.29 175.88 2wbk s VAL 725 N -0.33 1.69 0.36 1.09 1.01 -0.39 -5.02 120.40 118.81 2wbk s VAL 725 Ca 0.02 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2wbk s VAL 725 Cb -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2wbk s VAL 725 CO 0.02 0.37 0.36 -1.00 0.00 0.00 0.00 175.10 174.85 2wbk s HIS 726 N 1.42 2.89 -1.46 5.22 3.76 -1.26 -1.55 115.29 124.30 2wbk s HIS 726 Ca 0.03 -0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 54.50 2wbk s HIS 726 Cb -0.14 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.66 2wbk s HIS 726 CO -0.10 0.04 0.80 0.43 -0.85 0.00 0.00 174.74 175.06 2wbk n SER 727 N -1.49 -4.96 -4.81 1.40 7.64 -1.05 -4.93 113.62 105.42 2wbk n SER 727 Ca 0.00 -0.56 -0.38 0.00 1.01 0.00 0.00 58.87 58.95 2wbk n SER 727 Cb 0.60 -3.99 -0.06 0.00 -1.01 0.00 0.00 64.21 59.75 2wbk n SER 727 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wbk s LEU 728 N -6.96 4.46 -0.11 -3.43 1.43 -0.36 -4.67 118.68 109.04 2wbk s LEU 728 Ca 0.52 1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 2wbk s LEU 728 Cb -0.26 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2wbk s LEU 728 CO 0.64 0.18 0.02 -0.70 0.23 0.00 0.00 176.35 176.72 2wbk s GLU 729 N -1.48 3.20 -0.49 1.70 2.12 -1.26 -1.27 118.70 121.22 2wbk s GLU 729 Ca 0.35 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 55.26 2wbk s GLU 729 Cb -0.18 -2.89 0.13 0.00 0.26 0.00 0.00 34.13 31.45 2wbk s GLU 729 CO 0.20 0.62 0.30 0.08 -0.54 0.00 0.00 175.26 175.92 2wbk s VAL 730 N -0.64 3.48 0.49 3.70 1.01 0.28 -4.98 120.40 123.74 2wbk s VAL 730 Ca 0.11 -2.38 -0.22 0.00 0.00 0.00 0.00 61.98 59.48 2wbk s VAL 730 Cb -0.12 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 2wbk s VAL 730 CO 0.02 -0.76 1.17 -2.84 0.00 0.00 0.00 175.10 172.69 2wbk s PRO 731 N 0.70 3.59 0.28 2.72 0.02 -1.26 -0.29 135.00 140.75 2wbk s PRO 731 Ca 0.11 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.61 2wbk s PRO 731 Cb -0.22 -2.28 -0.13 0.00 0.02 0.00 0.00 34.50 31.88 2wbk s PRO 731 CO -0.04 -0.69 1.25 0.00 -0.33 0.00 0.00 177.00 177.18 2wbk n ALA 732 N -0.76 0.66 -3.72 -1.55 0.00 -1.25 -3.11 120.51 110.78 2wbk n ALA 732 Ca 0.09 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 2wbk n ALA 732 Cb 0.49 -2.18 0.05 0.00 0.00 0.00 0.00 19.45 17.81 2wbk n ALA 732 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wbk n ASN 733 N 1.44 -4.89 -4.08 0.00 3.02 -1.01 -4.99 115.26 104.75 2wbk n ASN 733 Ca 0.09 -0.67 -0.08 0.00 -0.03 0.00 0.00 54.58 53.89 2wbk n ASN 733 Cb 0.32 -4.49 -0.10 0.00 -0.61 0.00 0.00 39.78 34.91 2wbk n ASN 733 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wbk s THR 734 N -3.35 0.27 -0.13 3.41 -4.23 -0.98 -4.98 115.64 105.66 2wbk s THR 734 Ca 0.51 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.40 2wbk s THR 734 Cb -0.24 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2wbk s THR 734 CO 0.78 -0.88 -0.21 -0.55 -0.54 0.00 0.00 174.62 173.22 2wbk s SER 735 N -2.65 2.96 -0.06 3.99 0.15 -1.26 -1.51 113.70 115.32 2wbk s SER 735 Ca 0.03 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2wbk s SER 735 Cb 0.04 -1.36 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 2wbk s SER 735 CO -0.08 0.08 0.14 -0.54 1.20 0.00 0.00 173.24 174.04 2wbk s LYS 736 N 0.75 0.13 0.16 5.44 1.02 -1.00 -4.97 119.74 121.27 2wbk s LYS 736 Ca -0.09 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.85 2wbk s LYS 736 Cb -0.16 -0.03 -0.08 0.00 -0.52 0.00 0.00 37.83 37.05 2wbk s LYS 736 CO 0.00 -0.08 1.24 0.00 -0.92 0.00 0.00 175.35 175.60 2wbk n VAL 738 N 2.96 0.00 -3.63 0.00 0.24 -0.50 -4.95 118.33 112.45 2wbk n VAL 738 Ca 0.06 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.34 61.83 2wbk n VAL 738 Cb 0.44 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.84 2wbk n VAL 738 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2wbk s TYR 739 N -0.38 -0.74 -0.07 6.34 5.04 -1.21 -4.99 117.35 121.34 2wbk s TYR 739 Ca 0.00 1.76 -0.04 0.00 -2.44 0.00 0.00 57.07 56.36 2wbk s TYR 739 Cb 0.00 0.32 0.03 0.00 0.35 0.00 0.00 41.96 42.66 2wbk s TYR 739 CO 0.00 -0.36 0.16 0.50 -1.34 0.00 0.00 175.55 174.52 2wbk s ARG 740 N 0.45 0.13 -0.14 4.97 3.00 -1.26 -0.49 118.95 125.62 2wbk s ARG 740 Ca -0.00 0.34 -0.17 0.00 -1.00 0.00 0.00 55.73 54.91 2wbk s ARG 740 Cb -0.05 -0.09 0.04 0.00 0.00 0.00 0.00 34.95 34.85 2wbk s ARG 740 CO -0.02 -0.12 0.44 0.00 0.00 0.00 0.00 175.30 175.60 2wbk s ALA 741 N 0.84 -1.11 0.73 6.12 0.00 0.73 -4.98 121.76 124.10 2wbk s ALA 741 Ca -0.06 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2wbk s ALA 741 Cb -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.51 2wbk s ALA 741 CO -0.04 -0.23 1.07 0.15 0.00 0.00 0.00 175.76 176.71 2wbk s LYS 742 N -0.11 2.61 -0.05 0.00 3.01 -1.26 -1.01 119.74 122.94 2wbk s LYS 742 Ca -0.03 1.02 0.10 0.00 -1.01 0.00 0.00 55.97 56.05 2wbk s LYS 742 Cb -0.03 -1.95 -0.23 0.00 -1.01 0.00 0.00 37.83 34.61 2wbk s LYS 742 CO 0.02 -1.35 0.65 -0.07 0.51 0.00 0.00 175.35 175.11 2wbk h LEU 743 N -0.91 0.06 -9.37 3.17 4.07 -1.48 -3.39 115.31 107.46 2wbk h LEU 743 Ca -0.44 -0.12 -0.55 0.00 0.08 0.00 0.00 57.88 56.85 2wbk h LEU 743 Cb 1.22 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 2wbk h LEU 743 CO 0.55 1.11 0.57 -0.62 -1.08 0.00 0.00 178.44 178.97 2wbk s ASP 744 N -6.24 7.16 0.00 -0.43 2.15 -1.26 -0.09 116.67 117.96 2wbk s ASP 744 Ca -0.07 1.79 0.00 0.00 0.43 0.00 0.00 52.55 54.70 2wbk s ASP 744 Cb 0.08 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2wbk s ASP 744 CO 0.82 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.97 2wbk n GLY 745 N 3.18 2.71 0.12 2.66 0.00 -1.26 -4.76 105.19 107.84 2wbk n GLY 745 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2wbk n GLY 745 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2wbk n TRP 746 N -2.00 0.59 -3.59 1.61 2.14 -0.90 -5.03 117.44 110.26 2wbk n TRP 746 Ca 0.00 0.14 -0.14 0.00 2.07 0.00 0.00 57.50 59.57 2wbk n TRP 746 Cb 0.00 -1.08 -0.06 0.00 -0.81 0.00 0.00 31.31 29.35 2wbk n TRP 746 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2wbk s LEU 747 N -6.54 -0.61 0.22 5.67 1.43 0.88 -5.06 118.68 114.67 2wbk s LEU 747 Ca -0.24 0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 2wbk s LEU 747 Cb 0.08 2.31 -0.08 0.00 0.03 0.00 0.00 46.19 48.53 2wbk s LEU 747 CO 0.72 -0.37 0.62 0.42 0.23 0.00 0.00 176.35 177.97 2wbk s THR 748 N -0.40 4.80 0.48 5.49 -4.23 -1.26 -4.44 115.64 116.07 2wbk s THR 748 Ca -0.03 0.81 0.37 0.00 -1.18 0.00 0.00 61.69 61.65 2wbk s THR 748 Cb -0.03 -3.69 0.57 0.00 1.34 0.00 0.00 72.50 70.70 2wbk s THR 748 CO 0.03 0.04 1.59 -0.65 -0.54 0.00 0.00 174.62 175.09 2wbk h PRO 749 N 2.91 0.02 0.01 3.99 0.11 -2.00 0.54 132.00 137.58 2wbk h PRO 749 Ca -0.48 -0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 2wbk h PRO 749 Cb 1.18 -0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 2wbk h PRO 749 CO 0.67 0.01 -1.03 1.49 -0.21 0.00 0.00 178.00 178.93 2wbk h GLU 750 N 0.02 0.68 -0.20 1.05 4.57 -2.00 -3.26 114.58 115.43 2wbk h GLU 750 Ca 0.88 -0.75 0.05 0.00 -1.18 0.00 0.00 59.36 58.37 2wbk h GLU 750 Cb 3.04 0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 31.79 2wbk h GLU 750 CO -0.32 1.32 -0.16 -0.44 -1.18 0.00 0.00 179.01 178.23 2wbk h ASP 751 N 0.35 -0.52 -1.22 1.04 3.32 -0.31 -2.37 116.42 116.70 2wbk h ASP 751 Ca -0.13 0.11 0.35 0.00 0.02 0.00 0.00 57.03 57.38 2wbk h ASP 751 Cb 1.69 0.26 -0.09 0.00 0.22 0.00 0.00 39.33 41.42 2wbk h ASP 751 CO 0.20 -0.21 0.82 0.00 -1.72 0.00 0.00 179.24 178.34 2wbk n ARG 753 N -4.45 0.72 0.00 0.00 1.74 -0.89 -3.94 116.66 109.83 2wbk n ARG 753 Ca 0.30 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2wbk n ARG 753 Cb 1.21 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 2wbk n ARG 753 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wbk n ARG 754 N -0.92 0.06 -4.01 5.56 1.74 0.80 -0.36 116.66 119.53 2wbk n ARG 754 Ca 0.15 -0.40 -0.10 0.00 -0.77 0.00 0.00 57.85 56.73 2wbk n ARG 754 Cb 0.28 -0.70 -0.08 0.00 -1.02 0.00 0.00 32.46 30.94 2wbk n ARG 754 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wbk s SER 755 N -0.11 0.10 0.16 0.55 1.04 -0.65 -1.90 113.70 112.90 2wbk s SER 755 Ca 0.00 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.49 2wbk s SER 755 Cb 0.00 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 2wbk s SER 755 CO 0.00 -0.86 0.01 0.72 0.98 0.00 0.00 173.24 174.08 2wbk s PHE 756 N -3.99 1.15 -0.20 5.02 -0.71 -0.35 -4.57 117.98 114.33 2wbk s PHE 756 Ca 0.19 -1.04 -0.06 0.00 -1.04 0.00 0.00 56.93 54.98 2wbk s PHE 756 Cb 0.04 -0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 2wbk s PHE 756 CO 0.01 -0.25 0.03 -1.17 -1.34 0.00 0.00 175.22 172.51 2wbk s LEU 757 N -3.15 3.51 -0.14 -1.99 2.96 -0.23 -1.21 118.68 118.43 2wbk s LEU 757 Ca 0.23 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.95 2wbk s LEU 757 Cb 0.06 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2wbk s LEU 757 CO 0.03 0.10 0.24 -0.75 -1.32 0.00 0.00 176.35 174.65 2wbk s LYS 758 N 0.78 3.99 -0.02 1.98 2.20 -0.49 0.22 119.74 128.40 2wbk s LYS 758 Ca 0.02 0.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.69 2wbk s LYS 758 Cb -0.14 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 2wbk s LYS 758 CO 0.02 0.45 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.79 2wbk s LEU 759 N -0.14 1.99 0.06 5.43 1.02 0.21 -1.98 118.68 125.27 2wbk s LEU 759 Ca 0.15 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.03 2wbk s LEU 759 Cb -0.13 -0.84 -0.03 0.00 0.02 0.00 0.00 46.19 45.21 2wbk s LEU 759 CO 0.04 0.18 -0.08 -0.63 0.02 0.00 0.00 176.35 175.88 2wbk s ILE 760 N -0.25 0.60 -0.08 -0.59 -1.09 0.16 -1.04 121.20 118.91 2wbk s ILE 760 Ca 0.03 -1.36 0.01 0.00 -2.23 0.00 0.00 60.65 57.11 2wbk s ILE 760 Cb -0.08 -0.97 0.02 0.00 -1.58 0.00 0.00 42.46 39.85 2wbk s ILE 760 CO 0.00 -0.54 -0.11 -0.22 -1.23 0.00 0.00 174.94 172.84 2wbk s LEU 761 N -2.06 1.53 0.12 2.97 2.96 0.22 -1.19 118.68 123.23 2wbk s LEU 761 Ca -0.03 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 2wbk s LEU 761 Cb -0.05 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 2wbk s LEU 761 CO -0.01 -0.01 -0.14 -1.59 -1.32 0.00 0.00 176.35 173.28 2wbk s LYS 762 N 0.97 1.01 0.18 1.98 0.00 -0.49 -0.72 119.74 122.69 2wbk s LYS 762 Ca -0.09 -1.25 -0.03 0.00 0.00 0.00 0.00 55.97 54.61 2wbk s LYS 762 Cb -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 37.83 36.86 2wbk s LYS 762 CO -0.00 0.16 0.18 -0.40 0.00 0.00 0.00 175.35 175.29 2wbk n ASP 763 N 0.49 -0.83 0.08 0.03 5.68 0.05 -1.23 116.55 120.82 2wbk n ASP 763 Ca -0.15 -0.74 -0.12 0.00 -0.50 0.00 0.00 54.79 53.28 2wbk n ASP 763 Cb 0.57 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.32 2wbk n ASP 763 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2wbk h LYS 764 N 0.00 -0.52 -0.07 0.11 3.11 -1.64 -2.05 116.57 115.51 2wbk h LYS 764 Ca -0.07 0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.83 2wbk h LYS 764 Cb 0.19 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 2wbk h LYS 764 CO 0.04 -0.34 0.33 0.66 -2.81 0.00 0.00 179.45 177.33 2wbk h SER 765 N -0.54 0.00 0.00 4.20 4.64 -1.93 -3.46 113.55 116.46 2wbk h SER 765 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wbk h SER 765 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2wbk h SER 765 CO -0.19 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.38 2wbk n GLY 766 N -1.26 0.97 3.70 -0.77 0.00 -0.77 -5.09 105.19 101.97 2wbk n GLY 766 Ca -0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2wbk n GLY 766 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wbk s HIS 767 N -2.00 3.05 -0.02 1.61 3.76 -1.26 -4.74 115.29 115.69 2wbk s HIS 767 Ca 0.00 0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 55.56 2wbk s HIS 767 Cb 0.00 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 30.03 2wbk s HIS 767 CO 0.00 -2.18 1.28 -1.14 -0.85 0.00 0.00 174.74 171.85 2wbk s GLN 768 N 1.91 4.33 -0.01 1.40 0.74 -1.26 -0.77 119.66 126.00 2wbk s GLN 768 Ca 0.63 1.80 0.06 0.00 0.05 0.00 0.00 55.36 57.90 2wbk s GLN 768 Cb -0.32 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.17 2wbk s GLN 768 CO 0.27 -0.48 0.17 1.33 -0.55 0.00 0.00 175.29 176.03 2wbk n VAL 769 N 4.54 0.00 -3.50 1.34 0.24 0.11 -4.98 118.33 116.09 2wbk n VAL 769 Ca 0.12 -0.19 -0.17 0.00 -2.04 0.00 0.00 64.34 62.06 2wbk n VAL 769 Cb 0.45 0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 33.27 2wbk n VAL 769 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wbk s ALA 770 N -2.24 -1.72 0.00 2.33 0.00 -1.15 -4.95 121.76 114.02 2wbk s ALA 770 Ca -0.01 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 2wbk s ALA 770 Cb 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2wbk s ALA 770 CO 0.26 -0.47 0.04 -2.00 0.00 0.00 0.00 175.76 173.59 2wbk s GLU 771 N -1.82 0.30 0.10 0.00 2.12 -1.26 -0.61 118.70 117.53 2wbk s GLU 771 Ca -0.08 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 2wbk s GLU 771 Cb -0.00 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 2wbk s GLU 771 CO 0.04 -0.06 0.08 0.45 -0.54 0.00 0.00 175.26 175.23 2wbk s SER 772 N -1.07 0.30 -0.01 -1.70 0.15 -0.21 -4.78 113.70 106.38 2wbk s SER 772 Ca -0.12 -0.98 0.03 0.00 0.70 0.00 0.00 55.95 55.58 2wbk s SER 772 Cb -0.07 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2wbk s SER 772 CO 0.00 -0.70 -0.11 0.54 1.20 0.00 0.00 173.24 174.17 2wbk s VAL 773 N -3.95 0.87 -0.03 4.45 0.11 -1.26 -0.62 120.40 119.97 2wbk s VAL 773 Ca 0.13 -0.46 0.07 0.00 -2.93 0.00 0.00 61.98 58.79 2wbk s VAL 773 Cb 0.07 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2wbk s VAL 773 CO -0.05 0.25 -0.24 -2.28 -3.33 0.00 0.00 175.10 169.45 2wbk s HIS 774 N -0.21 2.16 -0.11 1.54 2.46 0.13 -4.95 115.29 116.31 2wbk s HIS 774 Ca 0.03 -0.46 -0.00 0.00 0.47 0.00 0.00 55.06 55.10 2wbk s HIS 774 Cb -0.05 -1.40 -0.02 0.00 -0.13 0.00 0.00 32.58 30.98 2wbk s HIS 774 CO -0.00 -0.08 -0.09 -0.06 -2.47 0.00 0.00 174.74 172.04 2wbk s PHE 775 N -0.45 2.89 -0.53 3.88 0.08 -1.26 -1.07 117.98 121.52 2wbk s PHE 775 Ca 0.06 -0.33 0.24 0.00 0.12 0.00 0.00 56.93 57.02 2wbk s PHE 775 Cb -0.10 -1.82 0.42 0.00 -0.57 0.00 0.00 43.02 40.95 2wbk s PHE 775 CO 0.00 0.02 1.51 0.74 -0.10 0.00 0.00 175.22 177.38 2wbk h PHE 776 N 6.19 0.00 -3.53 0.36 0.04 -1.81 -3.46 116.94 114.74 2wbk h PHE 776 Ca -0.35 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.89 2wbk h PHE 776 Cb 1.19 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.15 2wbk h PHE 776 CO 0.52 0.00 -0.80 1.03 -0.60 0.00 0.00 178.31 178.47 2wbk s ARG 777 N -3.20 1.22 0.40 1.51 1.81 -1.25 -5.02 118.95 114.42 2wbk s ARG 777 Ca 0.07 -1.32 -0.26 0.00 -1.72 0.00 0.00 55.73 52.50 2wbk s ARG 777 Cb 0.09 -1.34 -0.11 0.00 -0.45 0.00 0.00 34.95 33.14 2wbk s ARG 777 CO 0.68 0.29 1.17 1.63 -0.68 0.00 0.00 175.30 178.38 2wbk n LYS 778 N 0.58 1.72 -0.26 3.54 5.02 -1.26 -4.84 118.16 122.65 2wbk n LYS 778 Ca -0.15 0.61 0.13 0.00 -2.02 0.00 0.00 58.31 56.88 2wbk n LYS 778 Cb 0.56 -2.22 0.40 0.00 -0.02 0.00 0.00 35.03 33.74 2wbk n LYS 778 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wbk h THR 779 N 1.97 0.81 0.00 -0.18 2.02 -1.94 0.16 112.91 115.76 2wbk h THR 779 Ca -0.46 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2wbk h THR 779 Cb 1.31 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2wbk h THR 779 CO 0.59 0.12 -0.05 0.07 0.37 0.00 0.00 175.52 176.63 2wbk h LYS 780 N 0.65 0.00 -0.16 6.66 2.10 -1.57 -2.00 116.57 122.26 2wbk h LYS 780 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 2wbk h LYS 780 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 2wbk h LYS 780 CO -0.20 0.05 0.00 -0.25 -2.00 0.00 0.00 179.45 177.04 2wbk n ASP 781 N -3.40 2.99 -4.78 7.07 8.00 0.03 -4.86 116.55 121.61 2wbk n ASP 781 Ca -0.02 -1.95 -0.37 0.00 0.71 0.00 0.00 54.79 53.16 2wbk n ASP 781 Cb 0.18 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 2wbk n ASP 781 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wbk s LEU 782 N -1.81 4.35 -1.33 0.64 1.43 -0.75 -4.75 118.68 116.46 2wbk s LEU 782 Ca 0.33 1.89 -0.10 0.00 -1.03 0.00 0.00 54.13 55.22 2wbk s LEU 782 Cb 0.21 -3.99 0.13 0.00 0.03 0.00 0.00 46.19 42.57 2wbk s LEU 782 CO 0.31 -0.10 2.06 0.00 0.23 0.00 0.00 176.35 178.85 2wbk n GLN 783 N 0.58 3.64 -2.24 1.70 3.00 0.52 -5.00 117.38 119.58 2wbk n GLN 783 Ca 0.02 -3.30 -0.42 0.00 -0.01 0.00 0.00 57.00 53.29 2wbk n GLN 783 Cb 0.50 -2.94 -0.03 0.00 0.00 0.00 0.00 30.24 27.77 2wbk n GLN 783 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2wbk s LEU 784 N -0.03 4.35 0.25 1.08 1.43 -1.26 -4.88 118.68 119.62 2wbk s LEU 784 Ca 0.44 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 2wbk s LEU 784 Cb 0.12 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 2wbk s LEU 784 CO -0.03 -0.65 1.00 -2.16 0.23 0.00 0.00 176.35 174.75 2wbk s PRO 785 N 1.67 4.77 0.07 1.29 0.04 -1.26 -4.98 135.00 136.60 2wbk s PRO 785 Ca 0.63 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.96 2wbk s PRO 785 Cb -0.33 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 30.85 2wbk s PRO 785 CO 0.28 0.40 1.83 -2.30 0.04 0.00 0.00 177.00 177.25 2wbk n PRO 786 N 1.38 2.59 -4.13 0.56 -0.02 -1.26 -4.92 135.00 129.20 2wbk n PRO 786 Ca -0.02 0.94 -0.12 0.00 -2.02 0.00 0.00 63.50 62.29 2wbk n PRO 786 Cb 0.46 -2.82 -0.08 0.00 -0.02 0.00 0.00 33.50 31.04 2wbk n PRO 786 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2wbk s THR 787 N 3.03 0.00 -0.12 3.45 -1.32 -1.26 -5.03 115.64 114.39 2wbk s THR 787 Ca 0.85 -1.76 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2wbk s THR 787 Cb -0.55 -2.41 0.02 0.00 -1.51 0.00 0.00 72.50 68.05 2wbk s THR 787 CO 0.41 0.00 -0.13 -0.55 -2.21 0.00 0.00 174.62 172.15 2wbk s SER 788 N -3.13 2.37 -0.40 8.08 0.15 -1.26 -5.00 113.70 114.52 2wbk s SER 788 Ca 0.33 -0.40 -0.18 0.00 0.70 0.00 0.00 55.95 56.40 2wbk s SER 788 Cb 0.03 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.33 2wbk s SER 788 CO 0.13 -0.04 0.50 -0.69 1.20 0.00 0.00 173.24 174.33 2wbk s VAL 789 N 1.29 5.01 0.18 4.45 1.01 -1.26 -4.44 120.40 126.64 2wbk s VAL 789 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2wbk s VAL 789 Cb -0.14 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2wbk s VAL 789 CO -0.06 -0.38 0.26 -0.94 0.00 0.00 0.00 175.10 173.99 2wbk s SER 790 N 1.83 6.09 0.00 3.32 1.04 0.67 -4.90 113.70 121.76 2wbk s SER 790 Ca 0.16 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 2wbk s SER 790 Cb -0.16 -1.76 0.01 0.00 0.10 0.00 0.00 66.02 64.22 2wbk s SER 790 CO 0.15 0.03 0.22 -0.72 0.98 0.00 0.00 173.24 173.89 2wbk s TYR 791 N -1.81 -0.05 -0.02 5.02 -0.85 -1.26 0.12 117.35 118.51 2wbk s TYR 791 Ca 0.33 -0.00 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 2wbk s TYR 791 Cb -0.10 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 2wbk s TYR 791 CO 0.27 -0.36 -0.01 -0.65 -1.52 0.00 0.00 175.55 173.28 2wbk s GLN 792 N -1.62 2.79 -0.09 -3.49 -0.21 -0.36 -4.94 119.66 111.75 2wbk s GLN 792 Ca -0.12 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 54.70 2wbk s GLN 792 Cb -0.05 -2.67 0.01 0.00 1.00 0.00 0.00 33.01 31.30 2wbk s GLN 792 CO 0.01 0.64 -0.18 1.41 -2.12 0.00 0.00 175.29 175.05 2wbk s MET 793 N -1.39 2.44 -0.30 2.91 1.75 -1.26 -0.90 119.30 122.55 2wbk s MET 793 Ca 0.18 -0.66 -0.04 0.00 -1.25 0.00 0.00 55.69 53.92 2wbk s MET 793 Cb -0.11 -1.91 0.04 0.00 2.84 0.00 0.00 34.83 35.68 2wbk s MET 793 CO 0.08 0.09 0.03 0.21 -0.65 0.00 0.00 175.02 174.78 2wbk s LYS 794 N 0.54 2.65 -0.22 4.11 2.20 0.40 -4.96 119.74 124.46 2wbk s LYS 794 Ca -0.16 -1.13 -0.06 0.00 -0.36 0.00 0.00 55.97 54.26 2wbk s LYS 794 Cb -0.17 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2wbk s LYS 794 CO 0.06 -0.57 0.03 -1.14 -0.36 0.00 0.00 175.35 173.37 2wbk s GLN 795 N 1.34 3.68 0.37 4.03 0.74 -1.26 -0.73 119.66 127.83 2wbk s GLN 795 Ca -0.02 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 54.93 2wbk s GLN 795 Cb -0.19 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 2wbk s GLN 795 CO -0.00 -0.03 0.09 0.25 -0.55 0.00 0.00 175.29 175.05 2wbk n THR 796 N 4.40 0.00 -1.74 -0.34 -2.24 -0.18 -4.55 114.28 109.64 2wbk n THR 796 Ca -0.17 -2.04 -0.42 0.00 -2.27 0.00 0.00 64.05 59.15 2wbk n THR 796 Cb 0.52 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 2wbk n THR 796 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wbk s ASP 797 N -3.22 6.47 0.00 3.42 1.01 -1.26 -1.71 116.67 121.38 2wbk s ASP 797 Ca 0.13 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.03 2wbk s ASP 797 Cb 0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2wbk s ASP 797 CO 0.09 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 175.07 2wbk n GLY 798 N 4.36 0.87 3.17 0.21 0.00 0.19 -4.95 105.19 109.04 2wbk n GLY 798 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2wbk n GLY 798 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wbk s LYS 799 N -0.12 0.37 -0.11 1.61 2.20 -0.70 -2.26 119.74 120.74 2wbk s LYS 799 Ca 0.00 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 2wbk s LYS 799 Cb 0.00 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2wbk s LYS 799 CO 0.00 -0.06 -0.11 0.00 -0.36 0.00 0.00 175.35 174.82 2wbk s GLU 801 N 1.33 2.78 -0.07 0.00 2.02 0.09 -0.13 118.70 124.72 2wbk s GLU 801 Ca -0.01 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 2wbk s GLU 801 Cb -0.14 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 2wbk s GLU 801 CO -0.05 -0.53 -0.01 -0.51 0.02 0.00 0.00 175.26 174.18 2wbk s LEU 802 N 1.39 3.52 -0.17 1.80 1.43 -0.33 -0.45 118.68 125.86 2wbk s LEU 802 Ca -0.01 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2wbk s LEU 802 Cb -0.18 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2wbk s LEU 802 CO 0.00 0.37 -0.14 -0.89 0.23 0.00 0.00 176.35 175.92 2wbk s THR 803 N -0.90 2.71 -0.10 5.49 2.01 -0.07 -0.75 115.64 124.03 2wbk s THR 803 Ca 0.14 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 2wbk s THR 803 Cb -0.11 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2wbk s THR 803 CO 0.03 0.50 0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 2wbk s LEU 804 N 1.02 3.62 -0.02 4.42 1.43 0.19 -1.22 118.68 128.12 2wbk s LEU 804 Ca -0.01 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2wbk s LEU 804 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2wbk s LEU 804 CO -0.03 0.34 -0.07 0.12 0.23 0.00 0.00 176.35 176.94 2wbk s PHE 805 N -0.64 0.71 -0.08 0.29 5.36 0.33 -1.33 117.98 122.61 2wbk s PHE 805 Ca 0.11 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 55.89 2wbk s PHE 805 Cb -0.12 -0.50 0.04 0.00 -0.34 0.00 0.00 43.02 42.11 2wbk s PHE 805 CO 0.02 -0.05 0.18 0.45 -1.46 0.00 0.00 175.22 174.36 2wbk s SER 806 N 0.08 0.14 0.50 6.13 0.15 -1.26 -0.24 113.70 119.19 2wbk s SER 806 Ca -0.01 0.38 0.26 0.00 0.70 0.00 0.00 55.95 57.29 2wbk s SER 806 Cb -0.06 0.30 1.31 0.00 -1.71 0.00 0.00 66.02 65.86 2wbk s SER 806 CO -0.00 -0.19 2.01 0.77 1.20 0.00 0.00 173.24 177.03 2wbk h SER 807 N 7.64 0.00 -3.63 5.45 4.64 -1.92 -0.46 113.55 125.28 2wbk h SER 807 Ca -0.32 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.33 2wbk h SER 807 Cb 1.13 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.04 2wbk h SER 807 CO 0.31 0.15 -0.79 -0.04 -0.87 0.00 0.00 176.83 175.59 2wbk s MET 808 N -4.05 1.83 0.07 4.77 -1.94 -1.26 -3.22 119.30 115.50 2wbk s MET 808 Ca -0.02 -1.18 -0.37 0.00 -1.71 0.00 0.00 55.69 52.41 2wbk s MET 808 Cb 0.12 -2.13 -0.18 0.00 2.01 0.00 0.00 34.83 34.66 2wbk s MET 808 CO 0.60 0.48 1.16 -0.11 -0.01 0.00 0.00 175.02 177.13 2wbk n LEU 809 N 0.70 0.77 -4.08 -0.03 7.94 -0.47 -4.39 117.00 117.45 2wbk n LEU 809 Ca -0.15 1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 55.58 2wbk n LEU 809 Cb 0.53 -1.07 -0.16 0.00 0.53 0.00 0.00 43.42 43.25 2wbk n LEU 809 CO 0.29 -1.55 -0.51 0.00 -1.11 0.00 0.00 177.39 174.52 2wbk s ALA 810 N 0.12 2.03 -0.12 1.96 0.00 0.17 -4.73 121.76 121.19 2wbk s ALA 810 Ca 0.85 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 2wbk s ALA 810 Cb -1.07 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2wbk s ALA 810 CO 0.52 -0.26 0.55 0.21 0.00 0.00 0.00 175.76 176.78 2wbk s LYS 811 N 1.23 4.35 -1.20 0.00 2.47 -1.26 -0.10 119.74 125.22 2wbk s LYS 811 Ca 0.01 0.57 -0.25 0.00 -1.56 0.00 0.00 55.97 54.74 2wbk s LYS 811 Cb -0.14 -3.46 0.02 0.00 -1.46 0.00 0.00 37.83 32.79 2wbk s LYS 811 CO -0.08 0.08 0.69 -0.25 0.16 0.00 0.00 175.35 175.95 2wbk n ASP 812 N 3.88 -4.24 -4.77 1.43 8.00 -1.25 -1.90 116.55 117.69 2wbk n ASP 812 Ca -0.05 -1.15 -0.37 0.00 0.71 0.00 0.00 54.79 53.94 2wbk n ASP 812 Cb 0.51 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.12 39.03 2wbk n ASP 812 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wbk s ILE 813 N -3.56 3.24 -0.22 0.53 -4.36 0.57 -4.63 121.20 112.77 2wbk s ILE 813 Ca 0.43 0.91 0.01 0.00 -0.26 0.00 0.00 60.65 61.74 2wbk s ILE 813 Cb -0.20 -3.45 0.05 0.00 1.25 0.00 0.00 42.46 40.12 2wbk s ILE 813 CO 0.92 -0.03 -0.09 0.12 0.24 0.00 0.00 174.94 176.09 2wbk s PHE 814 N -1.60 2.55 -0.58 1.37 5.36 -0.43 -0.64 117.98 124.01 2wbk s PHE 814 Ca 0.64 -1.76 -0.24 0.00 -0.96 0.00 0.00 56.93 54.61 2wbk s PHE 814 Cb -0.27 -1.67 0.05 0.00 -0.34 0.00 0.00 43.02 40.79 2wbk s PHE 814 CO 0.32 -0.78 0.96 0.42 -1.46 0.00 0.00 175.22 174.68 2wbk s ILE 815 N 1.35 4.35 -0.17 3.12 1.01 -1.26 -1.09 121.20 128.51 2wbk s ILE 815 Ca -0.04 0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 2wbk s ILE 815 Cb -0.18 -4.58 -0.03 0.00 0.01 0.00 0.00 42.46 37.68 2wbk s ILE 815 CO -0.07 -1.21 0.01 -0.70 0.00 0.00 0.00 174.94 172.96 2wbk s GLU 816 N 4.04 3.76 0.07 2.79 2.12 0.42 -4.95 118.70 126.95 2wbk s GLU 816 Ca 0.29 -0.46 0.06 0.00 0.36 0.00 0.00 54.97 55.22 2wbk s GLU 816 Cb -0.13 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 2wbk s GLU 816 CO 0.17 0.20 -0.17 0.95 -0.54 0.00 0.00 175.26 175.87 2wbk s THR 817 N 0.51 1.40 -1.45 -1.70 -4.23 -1.26 -0.64 115.64 108.27 2wbk s THR 817 Ca -0.01 -1.32 0.25 0.00 -1.18 0.00 0.00 61.69 59.44 2wbk s THR 817 Cb -0.14 -1.29 0.45 0.00 1.34 0.00 0.00 72.50 72.87 2wbk s THR 817 CO 0.02 -0.06 1.84 -0.81 -0.54 0.00 0.00 174.62 175.07 2wbk n PRO 818 N 1.41 0.38 -2.68 3.99 -0.04 -1.26 -4.81 135.00 131.99 2wbk n PRO 818 Ca -0.19 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 2wbk n PRO 818 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 2wbk n PRO 818 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wbk s LEU 819 N -2.55 4.05 0.41 1.53 2.96 -1.26 -4.98 118.68 118.84 2wbk s LEU 819 Ca 0.24 1.23 -0.26 0.00 -0.22 0.00 0.00 54.13 55.12 2wbk s LEU 819 Cb 0.17 -3.50 -0.09 0.00 0.50 0.00 0.00 46.19 43.27 2wbk s LEU 819 CO 0.38 -0.72 1.37 -1.10 -1.32 0.00 0.00 176.35 174.96 2wbk s GLN 820 N 3.30 3.92 0.00 1.98 -1.52 -1.26 -2.88 119.66 123.19 2wbk s GLN 820 Ca 0.43 2.30 0.00 0.00 -1.95 0.00 0.00 55.36 56.14 2wbk s GLN 820 Cb -0.14 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 29.88 2wbk s GLN 820 CO 0.09 -0.59 0.00 0.41 -0.25 0.00 0.00 175.29 174.95 2wbk n GLY 821 N 0.62 0.85 3.48 3.09 0.00 -1.26 -4.96 105.19 107.01 2wbk n GLY 821 Ca 0.04 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.51 2wbk n GLY 821 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbk n ALA 822 N 0.79 -3.10 -2.70 4.61 0.00 -1.14 -4.85 120.51 114.11 2wbk n ALA 822 Ca 0.00 0.53 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 2wbk n ALA 822 Cb 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.61 2wbk n ALA 822 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wbk s ARG 823 N -0.36 3.06 -0.08 0.00 0.52 -0.42 -4.83 118.95 116.84 2wbk s ARG 823 Ca 0.80 -0.44 0.05 0.00 -0.52 0.00 0.00 55.73 55.62 2wbk s ARG 823 Cb -1.11 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 31.56 2wbk s ARG 823 CO 0.56 0.63 -0.24 0.71 0.02 0.00 0.00 175.30 176.98 2wbk s TYR 824 N -0.68 2.52 0.44 -0.53 2.02 -1.26 -1.28 117.35 118.58 2wbk s TYR 824 Ca 0.11 -0.88 0.21 0.00 -0.37 0.00 0.00 57.07 56.14 2wbk s TYR 824 Cb -0.12 -1.67 1.19 0.00 -0.40 0.00 0.00 41.96 40.96 2wbk s TYR 824 CO 0.02 -0.32 1.85 0.66 -1.57 0.00 0.00 175.55 176.19 2wbk h SER 825 N 6.41 0.31 -4.94 2.29 4.64 -1.23 -3.44 113.55 117.60 2wbk h SER 825 Ca -0.25 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2wbk h SER 825 Cb 1.21 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 2wbk h SER 825 CO 0.47 0.11 0.31 -0.62 -0.87 0.00 0.00 176.83 176.24 2wbk s ASP 826 N -5.56 -0.43 0.08 4.97 -1.08 -1.26 -4.99 116.67 108.40 2wbk s ASP 826 Ca -0.07 -0.13 -0.27 0.00 -0.52 0.00 0.00 52.55 51.56 2wbk s ASP 826 Cb 0.23 0.55 0.08 0.00 -1.46 0.00 0.00 42.92 42.32 2wbk s ASP 826 CO 0.78 -0.93 0.90 0.21 0.52 0.00 0.00 175.17 176.66 2wbk s ASN 827 N -2.72 -0.28 -1.22 -0.34 3.84 -1.26 -4.92 114.94 108.04 2wbk s ASN 827 Ca 0.05 -0.20 -0.10 0.00 0.21 0.00 0.00 52.86 52.81 2wbk s ASN 827 Cb -0.02 0.45 -0.01 0.00 -0.55 0.00 0.00 41.25 41.12 2wbk s ASN 827 CO -0.08 -0.78 0.72 0.49 -2.79 0.00 0.00 177.10 174.66 2wbk n PHE 828 N -0.36 -1.92 -4.25 0.43 3.72 0.19 -4.93 117.46 110.34 2wbk n PHE 828 Ca -0.08 0.65 -0.16 0.00 -0.05 0.00 0.00 57.45 57.81 2wbk n PHE 828 Cb 0.61 -3.83 -0.10 0.00 -0.94 0.00 0.00 39.48 35.22 2wbk n PHE 828 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2wbk s PHE 829 N -3.60 1.35 0.11 1.38 -0.12 -1.18 -4.74 117.98 111.18 2wbk s PHE 829 Ca 0.26 -0.65 -0.31 0.00 -0.05 0.00 0.00 56.93 56.19 2wbk s PHE 829 Cb -0.08 -0.69 -0.07 0.00 -0.63 0.00 0.00 43.02 41.55 2wbk s PHE 829 CO 0.84 0.13 1.27 -0.51 -0.05 0.00 0.00 175.22 176.90 2wbk s ASP 830 N -2.85 6.99 -0.33 1.98 1.01 -1.26 -0.31 116.67 121.90 2wbk s ASP 830 Ca 0.13 2.18 -0.16 0.00 0.71 0.00 0.00 52.55 55.41 2wbk s ASP 830 Cb -0.01 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2wbk s ASP 830 CO 0.02 -0.52 0.41 -0.22 0.21 0.00 0.00 175.17 175.08 2wbk s LEU 831 N 0.78 4.32 0.28 1.23 2.96 0.85 -4.93 118.68 124.17 2wbk s LEU 831 Ca 0.59 -0.05 -0.23 0.00 -0.22 0.00 0.00 54.13 54.23 2wbk s LEU 831 Cb -0.33 -2.44 -0.09 0.00 0.50 0.00 0.00 46.19 43.83 2wbk s LEU 831 CO 0.31 -0.35 0.85 -0.76 -1.32 0.00 0.00 176.35 175.08 2wbk s LEU 832 N 2.15 4.34 0.07 -0.68 1.43 -1.26 -0.66 118.68 124.08 2wbk s LEU 832 Ca 0.15 1.65 -0.36 0.00 -1.03 0.00 0.00 54.13 54.54 2wbk s LEU 832 Cb -0.16 -3.82 -0.16 0.00 0.03 0.00 0.00 46.19 42.08 2wbk s LEU 832 CO 0.12 -0.02 1.45 -0.81 0.23 0.00 0.00 176.35 177.31 2wbk n PRO 833 N 0.64 1.44 -0.49 1.29 -0.04 -1.26 -1.62 135.00 134.95 2wbk n PRO 833 Ca 0.00 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2wbk n PRO 833 Cb 0.50 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2wbk n PRO 833 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wbk n GLY 834 N 2.93 0.38 3.32 0.55 0.00 -0.18 -4.75 105.19 107.44 2wbk n GLY 834 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 2wbk n GLY 834 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wbk s GLU 835 N -0.57 3.00 0.29 1.61 2.02 -0.64 -5.01 118.70 119.40 2wbk s GLU 835 Ca 0.00 -1.62 -0.28 0.00 0.02 0.00 0.00 54.97 53.09 2wbk s GLU 835 Cb 0.00 -4.29 -0.14 0.00 0.10 0.00 0.00 34.13 29.80 2wbk s GLU 835 CO 0.00 -1.35 0.94 -2.13 0.02 0.00 0.00 175.26 172.74 2wbk n ARG 836 N 5.44 1.19 -3.97 1.61 0.63 -1.26 -4.54 116.66 115.76 2wbk n ARG 836 Ca -0.13 0.42 -0.24 0.00 -0.92 0.00 0.00 57.85 56.98 2wbk n ARG 836 Cb 0.41 -1.76 -0.17 0.00 0.45 0.00 0.00 32.46 31.39 2wbk n ARG 836 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2wbk s LYS 837 N -1.52 1.12 -0.22 -0.14 2.47 -0.44 -4.94 119.74 116.06 2wbk s LYS 837 Ca 0.59 -0.12 -0.18 0.00 -1.56 0.00 0.00 55.97 54.70 2wbk s LYS 837 Cb -0.71 -1.24 -0.03 0.00 -1.46 0.00 0.00 37.83 34.39 2wbk s LYS 837 CO 0.59 -0.22 0.50 0.21 0.16 0.00 0.00 175.35 176.60 2wbk s LYS 838 N 1.57 4.14 -0.11 4.03 2.36 -1.26 0.54 119.74 131.01 2wbk s LYS 838 Ca 0.00 0.35 0.03 0.00 -2.55 0.00 0.00 55.97 53.80 2wbk s LYS 838 Cb -0.13 -3.59 0.01 0.00 -1.05 0.00 0.00 37.83 33.07 2wbk s LYS 838 CO -0.05 -0.21 -0.19 0.08 1.55 0.00 0.00 175.35 176.53 2wbk s VAL 839 N 1.84 1.77 -0.23 4.02 1.01 0.07 -4.92 120.40 123.96 2wbk s VAL 839 Ca 0.22 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2wbk s VAL 839 Cb -0.15 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2wbk s VAL 839 CO 0.09 0.49 0.10 -0.63 0.00 0.00 0.00 175.10 175.15 2wbk s ILE 840 N 0.74 4.77 -0.15 2.22 1.01 -1.26 -1.19 121.20 127.34 2wbk s ILE 840 Ca -0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2wbk s ILE 840 Cb -0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2wbk s ILE 840 CO 0.01 0.37 -0.04 -0.63 0.00 0.00 0.00 174.94 174.66 2wbk s ILE 841 N 1.12 3.90 0.15 2.92 1.01 0.81 -0.62 121.20 130.50 2wbk s ILE 841 Ca 0.05 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.43 2wbk s ILE 841 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2wbk s ILE 841 CO 0.04 0.50 -0.20 0.42 0.00 0.00 0.00 174.94 175.70 2wbk s THR 842 N 0.29 1.83 -0.30 2.92 -4.23 -0.41 0.34 115.64 116.09 2wbk s THR 842 Ca -0.03 -1.80 -0.20 0.00 -1.18 0.00 0.00 61.69 58.47 2wbk s THR 842 Cb -0.14 -1.77 0.19 0.00 1.34 0.00 0.00 72.50 72.12 2wbk s THR 842 CO 0.03 -0.21 1.31 -0.55 -0.54 0.00 0.00 174.62 174.66 2wbk s SER 843 N -2.40 -0.10 0.56 3.99 0.15 -0.96 -1.30 113.70 113.64 2wbk s SER 843 Ca 0.13 0.18 0.38 0.00 0.70 0.00 0.00 55.95 57.34 2wbk s SER 843 Cb -0.07 0.62 2.04 0.00 -1.71 0.00 0.00 66.02 66.90 2wbk s SER 843 CO 0.06 -0.03 2.16 1.55 1.20 0.00 0.00 173.24 178.18 2wbk h PRO 844 N 4.25 0.00 0.00 5.44 0.13 -1.99 -2.19 132.00 137.65 2wbk h PRO 844 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2wbk h PRO 844 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wbk h PRO 844 CO 0.20 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.51 2wbk n ARG 845 N -2.84 0.17 -2.56 0.86 1.74 -1.26 -4.67 116.66 108.10 2wbk n ARG 845 Ca -0.02 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 2wbk n ARG 845 Cb 0.07 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 2wbk n ARG 845 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wbk s ILE 846 N -2.82 4.48 -0.02 0.55 1.01 -0.82 -4.96 121.20 118.61 2wbk s ILE 846 Ca 0.20 1.78 0.06 0.00 0.00 0.00 0.00 60.65 62.68 2wbk s ILE 846 Cb 0.19 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2wbk s ILE 846 CO 0.49 0.01 -0.20 -0.54 0.00 0.00 0.00 174.94 174.70 2wbk s LYS 847 N 2.03 1.67 0.16 2.79 1.02 -1.26 0.55 119.74 126.70 2wbk s LYS 847 Ca 0.53 -0.71 -0.34 0.00 0.02 0.00 0.00 55.97 55.47 2wbk s LYS 847 Cb -0.22 -1.59 -0.15 0.00 -0.52 0.00 0.00 37.83 35.35 2wbk s LYS 847 CO 0.21 0.41 1.32 0.36 -0.92 0.00 0.00 175.35 176.72 2wbk n LYS 848 N 2.66 1.46 -2.55 1.68 -0.00 -1.26 -3.01 118.16 117.14 2wbk n LYS 848 Ca -0.15 0.52 -0.04 0.00 -0.00 0.00 0.00 58.31 58.63 2wbk n LYS 848 Cb 0.53 -2.13 0.02 0.00 -0.00 0.00 0.00 35.03 33.45 2wbk n LYS 848 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wbk n GLY 849 N 2.38 0.50 2.73 2.58 0.00 -1.26 -4.99 105.19 107.13 2wbk n GLY 849 Ca 0.16 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 2wbk n GLY 849 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wbk n GLU 850 N -1.50 0.82 -0.48 1.61 2.13 -1.16 -5.11 120.64 116.94 2wbk n GLU 850 Ca -0.02 -1.71 -0.23 0.00 0.66 0.00 0.00 57.16 55.86 2wbk n GLU 850 Cb 0.52 -1.11 -0.04 0.00 0.27 0.00 0.00 31.44 31.07 2wbk n GLU 850 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2wbk n GLU 851 N 0.95 0.00 -2.10 5.31 4.07 -1.26 -4.74 120.64 122.86 2wbk n GLU 851 Ca 0.06 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.74 2wbk n GLU 851 Cb 0.68 -0.56 -0.03 0.00 -0.06 0.00 0.00 31.44 31.47 2wbk n GLU 851 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2wbk s LEU 852 N 2.12 4.33 0.26 4.31 2.96 -1.26 -4.95 118.68 126.46 2wbk s LEU 852 Ca 0.44 2.26 -0.30 0.00 -0.22 0.00 0.00 54.13 56.31 2wbk s LEU 852 Cb -0.56 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.46 2wbk s LEU 852 CO 0.25 -0.79 1.60 -2.84 -1.32 0.00 0.00 176.35 173.26 2wbk s PRO 853 N 2.51 4.14 -0.05 0.98 0.02 -1.26 -5.01 135.00 136.34 2wbk s PRO 853 Ca 0.68 2.54 0.02 0.00 0.02 0.00 0.00 61.00 64.26 2wbk s PRO 853 Cb -0.35 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.13 2wbk s PRO 853 CO 0.29 -0.63 -0.10 0.08 -0.33 0.00 0.00 177.00 176.30 2wbk s VAL 854 N 0.33 0.94 -0.13 3.83 1.01 -1.26 -4.34 120.40 120.78 2wbk s VAL 854 Ca 0.66 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2wbk s VAL 854 Cb -0.47 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2wbk s VAL 854 CO 0.43 0.31 -0.18 0.21 0.00 0.00 0.00 175.10 175.86 2wbk s ASN 855 N 0.62 2.76 -0.27 3.32 2.47 0.19 -4.98 114.94 119.04 2wbk s ASN 855 Ca -0.12 -0.51 -0.03 0.00 0.42 0.00 0.00 52.86 52.62 2wbk s ASN 855 Cb -0.14 -1.26 0.02 0.00 -1.45 0.00 0.00 41.25 38.42 2wbk s ASN 855 CO 0.02 0.04 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.81 2wbk s ILE 856 N 0.94 3.26 0.12 -5.21 1.01 -1.26 -0.44 121.20 119.62 2wbk s ILE 856 Ca -0.06 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.69 2wbk s ILE 856 Cb -0.15 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2wbk s ILE 856 CO -0.02 0.13 0.08 -0.54 0.00 0.00 0.00 174.94 174.59 2wbk s LYS 857 N 1.38 2.80 0.17 2.79 1.02 -0.25 -4.95 119.74 122.71 2wbk s LYS 857 Ca 0.00 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.09 2wbk s LYS 857 Cb -0.17 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 2wbk s LYS 857 CO -0.02 0.53 0.34 -3.38 -0.92 0.00 0.00 175.35 171.90 2wbk s HIS 858 N -1.52 0.30 0.13 3.18 -3.43 -1.26 -1.32 115.29 111.38 2wbk s HIS 858 Ca 0.29 -0.66 -0.22 0.00 -0.80 0.00 0.00 55.06 53.67 2wbk s HIS 858 Cb -0.11 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.05 2wbk s HIS 858 CO 0.22 -0.77 1.67 0.82 -2.00 0.00 0.00 174.74 174.67 2wbk h ILE 859 N 2.46 0.59 -0.32 -5.38 1.08 -1.64 -2.32 117.51 111.99 2wbk h ILE 859 Ca -0.31 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.26 2wbk h ILE 859 Cb 1.24 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 2wbk h ILE 859 CO 0.46 0.00 0.25 -0.09 -0.69 0.00 0.00 178.15 178.08 2wbk h ARG 860 N -0.19 0.00 0.00 2.37 9.65 -1.91 -0.05 114.38 124.24 2wbk h ARG 860 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2wbk h ARG 860 Cb 0.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2wbk h ARG 860 CO -0.24 0.00 0.00 0.93 2.80 0.00 0.00 179.97 183.46 2wbk h GLU 861 N 0.00 0.00 0.00 0.20 5.08 -1.80 -3.21 114.58 114.85 2wbk h GLU 861 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2wbk h GLU 861 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2wbk h GLU 861 CO -0.00 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.26 2wbk n THR 862 N -2.72 0.10 -3.95 1.13 -2.24 -0.03 -4.81 114.28 101.75 2wbk n THR 862 Ca 0.01 0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 2wbk n THR 862 Cb 0.24 -0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 67.80 2wbk n THR 862 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2wbk s TYR 863 N -2.59 0.21 -0.33 4.78 1.13 -1.22 -4.45 117.35 114.89 2wbk s TYR 863 Ca 0.26 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.50 2wbk s TYR 863 Cb 0.19 -0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.91 2wbk s TYR 863 CO 0.43 -0.23 0.58 1.63 -2.51 0.00 0.00 175.55 175.45