#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbk s ASN 28 N 0.00 6.80 0.13 1.61 2.47 -1.26 -4.90 114.94 119.78 2wbk s ASN 28 Ca 0.00 -2.32 0.00 0.00 0.42 0.00 0.00 52.86 50.96 2wbk s ASN 28 Cb 0.00 -2.51 -0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2wbk s ASN 28 CO 0.00 -1.12 0.16 -0.90 -3.72 0.00 0.00 177.10 171.52 2wbk n ASP 29 N 7.56 -0.44 -0.58 -4.21 5.68 -1.26 -4.70 116.55 118.60 2wbk n ASP 29 Ca 0.39 -1.73 0.06 0.00 -0.50 0.00 0.00 54.79 53.01 2wbk n ASP 29 Cb 0.47 0.85 0.17 0.00 -1.14 0.00 0.00 41.12 41.47 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 -0.22 0.40 -1.94 2.12 -2.24 0.63 -4.93 114.28 108.10 2wbk n THR 30 Ca 0.01 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 2wbk n THR 30 Cb 0.22 0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.07 5.67 -0.10 3.42 1.04 -1.26 -4.86 113.70 116.54 2wbk s SER 31 Ca 0.23 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.46 2wbk s SER 31 Cb 0.12 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 2wbk s SER 31 CO 0.16 -1.24 -0.12 -0.70 0.98 0.00 0.00 173.24 172.32 2wbk s GLU 32 N -4.25 3.07 -0.18 4.02 2.12 0.68 -4.97 118.70 119.20 2wbk s GLU 32 Ca 0.63 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 55.28 2wbk s GLU 32 Cb -0.16 -2.57 -0.00 0.00 0.26 0.00 0.00 34.13 31.66 2wbk s GLU 32 CO 0.40 0.39 -0.11 0.08 -0.54 0.00 0.00 175.26 175.48 2wbk s VAL 33 N -0.09 2.96 -0.28 3.70 1.01 -1.26 -0.64 120.40 125.79 2wbk s VAL 33 Ca -0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2wbk s VAL 33 Cb -0.14 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 2wbk s VAL 33 CO 0.03 0.49 0.08 -0.32 0.00 0.00 0.00 175.10 175.38 2wbk s MET 34 N 1.03 3.29 -0.02 2.72 0.00 0.14 -4.94 119.30 121.52 2wbk s MET 34 Ca -0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 55.69 54.66 2wbk s MET 34 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 34.83 31.29 2wbk s MET 34 CO -0.02 -0.35 1.13 -0.51 0.00 0.00 0.00 175.02 175.27 2wbk s LEU 35 N 1.54 4.31 -1.19 4.11 1.02 -1.26 -0.47 118.68 126.74 2wbk s LEU 35 Ca 0.04 1.80 -0.10 0.00 0.02 0.00 0.00 54.13 55.89 2wbk s LEU 35 Cb -0.16 -3.57 0.21 0.00 0.02 0.00 0.00 46.19 42.69 2wbk s LEU 35 CO 0.03 -0.48 1.53 0.18 0.02 0.00 0.00 176.35 177.63 2wbk n LEU 36 N 4.61 5.94 -0.03 1.79 4.77 -0.12 -4.67 117.00 129.29 2wbk n LEU 36 Ca 0.09 -4.75 0.03 0.00 -0.03 0.00 0.00 56.01 51.35 2wbk n LEU 36 Cb 0.47 -1.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.11 2wbk n LEU 36 CO 0.54 1.21 0.50 -0.90 -1.33 0.00 0.00 177.39 177.42 2wbk n ASP 37 N 3.81 1.98 -3.84 -1.43 5.75 -1.26 -4.59 116.55 116.96 2wbk n ASP 37 Ca 0.34 -2.25 -0.09 0.00 -0.01 0.00 0.00 54.79 52.77 2wbk n ASP 37 Cb 0.38 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.28 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 -1.45 0.14 0.00 2.12 -4.23 -1.26 -4.55 115.64 106.40 2wbk s THR 38 Ca 0.09 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2wbk s THR 38 Cb 0.08 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.62 2wbk s THR 38 CO 0.01 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 2wbk n GLY 39 N -0.01 0.66 3.77 3.99 0.00 -1.26 -4.91 105.19 107.44 2wbk n GLY 39 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.49 3.47 0.06 1.61 0.52 -1.26 -4.50 118.94 116.35 2wbk s TRP 40 Ca 0.00 1.70 0.06 0.00 0.02 0.00 0.00 56.10 57.87 2wbk s TRP 40 Cb 0.00 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.13 2wbk s TRP 40 CO 0.00 -0.46 -0.15 -1.21 0.02 0.00 0.00 176.95 175.15 2wbk s GLU 41 N -1.98 0.93 0.19 4.98 2.02 -0.41 -0.88 118.70 123.55 2wbk s GLU 41 Ca 0.51 -0.92 0.07 0.00 0.02 0.00 0.00 54.97 54.65 2wbk s GLU 41 Cb -0.26 -0.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.95 2wbk s GLU 41 CO 0.33 0.23 -0.12 -0.59 0.02 0.00 0.00 175.26 175.12 2wbk s PHE 42 N -1.10 1.59 -0.19 1.61 -0.12 -0.28 -1.27 117.98 118.22 2wbk s PHE 42 Ca 0.01 -0.64 -0.18 0.00 -0.05 0.00 0.00 56.93 56.07 2wbk s PHE 42 Cb -0.09 -0.77 0.05 0.00 -0.63 0.00 0.00 43.02 41.58 2wbk s PHE 42 CO 0.02 0.27 0.50 0.45 -0.05 0.00 0.00 175.22 176.41 2wbk s SER 43 N -3.28 -0.52 -0.08 1.98 0.15 0.16 -2.06 113.70 110.04 2wbk s SER 43 Ca 0.21 1.01 -0.30 0.00 0.70 0.00 0.00 55.95 57.58 2wbk s SER 43 Cb 0.01 1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 65.30 2wbk s SER 43 CO 0.05 -0.18 1.44 -1.58 1.20 0.00 0.00 173.24 174.18 2wbk s GLN 44 N 0.25 4.23 0.12 5.44 0.74 -1.26 -0.39 119.66 128.78 2wbk s GLN 44 Ca -0.00 1.93 -0.35 0.00 0.05 0.00 0.00 55.36 56.99 2wbk s GLN 44 Cb -0.03 -3.80 -0.16 0.00 1.10 0.00 0.00 33.01 30.11 2wbk s GLN 44 CO 0.01 -0.73 1.35 0.45 -0.55 0.00 0.00 175.29 175.82 2wbk n SER 45 N 6.50 1.85 0.00 6.67 2.88 -0.30 -2.00 113.62 129.22 2wbk n SER 45 Ca 0.15 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2wbk n SER 45 Cb 0.44 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2wbk n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wbk n GLY 46 N 2.56 2.06 0.13 0.46 0.00 -1.26 -4.84 105.19 104.30 2wbk n GLY 46 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 2wbk n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wbk h THR 47 N 0.00 0.36 -0.69 2.61 1.35 -1.80 -3.48 112.91 111.26 2wbk h THR 47 Ca 0.00 -1.61 -0.19 0.00 -0.55 0.00 0.00 66.41 64.05 2wbk h THR 47 Cb 0.00 1.96 -0.08 0.00 -1.73 0.00 0.00 68.15 68.30 2wbk h THR 47 CO 0.00 0.21 -0.18 -0.62 -0.25 0.00 0.00 175.52 174.68 2wbk n GLU 48 N -2.93 -1.63 -3.72 4.72 1.02 -1.26 -4.96 120.64 111.86 2wbk n GLU 48 Ca -0.02 0.73 -0.36 0.00 -0.02 0.00 0.00 57.16 57.49 2wbk n GLU 48 Cb 0.69 -4.94 -0.10 0.00 -0.02 0.00 0.00 31.44 27.08 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 -2.62 4.05 -0.02 3.49 2.20 -1.26 -5.10 119.74 120.48 2wbk s LYS 49 Ca 0.00 -0.29 0.06 0.00 -0.36 0.00 0.00 55.97 55.39 2wbk s LYS 49 Cb 0.00 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2wbk s LYS 49 CO 0.00 0.11 -0.20 -1.58 -0.36 0.00 0.00 175.35 173.31 2wbk s TRP 50 N 0.91 2.51 0.06 4.03 0.52 -1.26 -4.33 118.94 121.38 2wbk s TRP 50 Ca 0.07 -0.30 -0.05 0.00 0.02 0.00 0.00 56.10 55.84 2wbk s TRP 50 Cb -0.13 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 2wbk s TRP 50 CO 0.03 0.10 0.08 -1.64 0.02 0.00 0.00 176.95 175.54 2wbk s MET 51 N -0.82 0.69 0.52 4.98 -1.94 -0.87 -4.96 119.30 116.89 2wbk s MET 51 Ca 0.11 -1.01 -0.22 0.00 -1.71 0.00 0.00 55.69 52.86 2wbk s MET 51 Cb -0.10 0.26 -0.06 0.00 2.01 0.00 0.00 34.83 36.94 2wbk s MET 51 CO 0.01 -0.18 1.34 -2.14 -0.01 0.00 0.00 175.02 174.04 2wbk s PRO 52 N -3.56 3.29 0.25 2.03 0.02 -1.26 -1.13 135.00 134.64 2wbk s PRO 52 Ca 0.03 2.20 0.05 0.00 0.02 0.00 0.00 61.00 63.30 2wbk s PRO 52 Cb 0.04 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 2wbk s PRO 52 CO -0.09 -1.06 -0.04 0.00 -0.33 0.00 0.00 177.00 175.49 2wbk s ALA 53 N -1.32 2.05 -0.15 -1.55 0.00 -0.06 -4.71 121.76 116.02 2wbk s ALA 53 Ca 0.69 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2wbk s ALA 53 Cb -0.39 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2wbk s ALA 53 CO 0.47 -0.15 -0.17 0.99 0.00 0.00 0.00 175.76 176.89 2wbk s THR 54 N -3.22 2.46 -0.06 0.00 2.01 -1.26 -4.43 115.64 111.14 2wbk s THR 54 Ca 0.28 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.47 2wbk s THR 54 Cb 0.05 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2wbk s THR 54 CO 0.10 0.53 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.73 2wbk s VAL 55 N 0.83 1.19 0.58 3.82 1.01 -1.26 -3.13 120.40 123.44 2wbk s VAL 55 Ca -0.06 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 2wbk s VAL 55 Cb -0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2wbk s VAL 55 CO -0.01 0.36 1.28 -2.84 0.00 0.00 0.00 175.10 173.90 2wbk s PRO 56 N 0.52 2.99 0.00 2.72 0.02 -1.26 -4.61 135.00 135.38 2wbk s PRO 56 Ca -0.12 2.03 0.00 0.00 0.02 0.00 0.00 61.00 62.93 2wbk s PRO 56 Cb -0.15 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.30 2wbk s PRO 56 CO 0.04 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 2wbk n GLY 57 N 0.69 0.78 3.06 0.52 0.00 -0.51 -4.96 105.19 104.77 2wbk n GLY 57 Ca 0.12 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.23 0.07 0.21 2.61 -4.23 -1.26 -3.91 115.64 106.89 2wbk s THR 58 Ca 0.00 -0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.82 2wbk s THR 58 Cb 0.00 -0.34 0.23 0.00 1.34 0.00 0.00 72.50 73.73 2wbk s THR 58 CO 0.00 -0.30 1.63 0.58 -0.54 0.00 0.00 174.62 175.99 2wbk h VAL 59 N 4.51 0.38 -0.42 2.29 2.07 -1.43 -0.49 116.25 123.17 2wbk h VAL 59 Ca -0.29 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2wbk h VAL 59 Cb 1.20 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2wbk h VAL 59 CO 0.41 0.00 0.26 0.45 0.02 0.00 0.00 177.57 178.71 2wbk h HIS 60 N 0.01 0.54 -0.62 1.57 3.86 -1.97 -0.39 115.15 118.15 2wbk h HIS 60 Ca 0.30 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.43 2wbk h HIS 60 Cb 0.46 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 2wbk h HIS 60 CO -0.50 0.37 0.07 0.37 0.86 0.00 0.00 177.93 179.10 2wbk h GLN 61 N 0.56 1.04 -0.76 2.45 5.75 -1.85 -0.43 115.11 121.87 2wbk h GLN 61 Ca 0.15 -0.29 0.05 0.00 -0.15 0.00 0.00 58.65 58.42 2wbk h GLN 61 Cb -0.02 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 2wbk h GLN 61 CO -0.03 0.98 0.46 -0.44 -2.65 0.00 0.00 178.83 177.15 2wbk h ASP 62 N 0.97 0.72 0.08 -0.69 3.32 -0.63 -0.08 116.42 120.11 2wbk h ASP 62 Ca 0.19 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2wbk h ASP 62 Cb 0.46 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2wbk h ASP 62 CO 0.02 0.47 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.90 2wbk h LEU 63 N 0.85 -0.09 -0.72 1.55 3.38 -0.70 -3.14 115.31 116.45 2wbk h LEU 63 Ca 0.33 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2wbk h LEU 63 Cb 0.15 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 2wbk h LEU 63 CO -0.16 0.20 0.25 0.40 0.09 0.00 0.00 178.44 179.21 2wbk h ILE 64 N -0.38 0.64 0.00 1.22 2.04 -0.89 0.19 117.51 120.33 2wbk h ILE 64 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2wbk h ILE 64 Cb 0.33 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2wbk h ILE 64 CO 0.02 0.07 -0.03 0.77 0.00 0.00 0.00 178.15 178.98 2wbk h SER 65 N 0.38 0.00 -0.44 1.72 4.64 -1.01 0.72 113.55 119.57 2wbk h SER 65 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2wbk h SER 65 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2wbk h SER 65 CO -0.41 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 176.98 2wbk n HIS 66 N -3.17 0.57 -2.23 4.77 8.25 -0.22 -4.95 115.22 118.25 2wbk n HIS 66 Ca -0.01 -0.31 -0.09 0.00 -0.26 0.00 0.00 57.72 57.05 2wbk n HIS 66 Cb 0.24 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 1.42 -0.92 0.00 -0.41 1.02 0.25 -4.90 120.64 117.09 2wbk n GLU 67 Ca 0.19 0.44 0.13 0.00 -0.02 0.00 0.00 57.16 57.90 2wbk n GLU 67 Cb 0.58 -4.43 0.29 0.00 -0.02 0.00 0.00 31.44 27.87 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 -1.40 2.32 -3.97 -4.62 4.77 0.51 -4.78 117.00 109.84 2wbk n LEU 68 Ca -0.10 -0.77 -0.09 0.00 -0.03 0.00 0.00 56.01 55.01 2wbk n LEU 68 Cb 0.58 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 2wbk n LEU 68 CO 0.14 0.39 -0.34 -0.76 -1.33 0.00 0.00 177.39 175.49 2wbk s LEU 69 N -2.00 2.17 1.06 2.23 1.43 -1.25 -4.87 118.68 117.44 2wbk s LEU 69 Ca 0.32 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 2wbk s LEU 69 Cb 0.20 0.17 0.22 0.00 0.03 0.00 0.00 46.19 46.81 2wbk s LEU 69 CO 0.32 -0.32 1.11 -2.16 0.23 0.00 0.00 176.35 175.53 2wbk s PRO 70 N -1.53 -0.05 -0.20 1.29 0.04 -1.26 -4.58 135.00 128.71 2wbk s PRO 70 Ca -0.15 0.25 -0.28 0.00 0.04 0.00 0.00 61.00 60.86 2wbk s PRO 70 Cb -0.09 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2wbk s PRO 70 CO -0.01 -3.00 2.10 1.21 0.04 0.00 0.00 177.00 177.35 2wbk s ASN 71 N -3.72 5.69 0.56 6.66 2.47 -1.26 -4.82 114.94 120.52 2wbk s ASN 71 Ca 0.67 1.91 0.37 0.00 0.42 0.00 0.00 52.86 56.23 2wbk s ASN 71 Cb -0.15 -2.52 1.73 0.00 -1.45 0.00 0.00 41.25 38.86 2wbk s ASN 71 CO 0.56 -1.77 2.10 1.55 -3.72 0.00 0.00 177.10 175.82 2wbk h PRO 72 N 13.97 0.00 0.00 0.43 0.13 -1.91 -2.30 132.00 142.31 2wbk h PRO 72 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.00 -0.68 1.19 -0.23 0.00 0.00 178.00 179.25 2wbk n PHE 73 N -2.99 0.07 -3.04 1.56 3.72 -1.26 -3.77 117.46 111.75 2wbk n PHE 73 Ca -0.01 0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 57.02 2wbk n PHE 73 Cb 0.20 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 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 3.64 0.00 1.38 5.04 -0.87 -4.66 117.35 118.84 2wbk s TYR 74 Ca 0.09 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 2wbk s TYR 74 Cb 0.17 -2.79 0.00 0.00 0.35 0.00 0.00 41.96 39.69 2wbk s TYR 74 CO 0.75 0.17 0.00 0.41 -1.34 0.00 0.00 175.55 175.54 2wbk n GLY 75 N 2.81 3.44 0.61 8.97 0.00 0.25 -1.27 105.19 120.00 2wbk n GLY 75 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 14.00 1.72 0.27 1.61 2.81 -1.26 -4.61 117.12 131.65 2wbk n MET 76 Ca 0.00 -0.73 0.15 0.00 -1.81 0.00 0.00 57.70 55.31 2wbk n MET 76 Cb 0.00 -1.43 0.74 0.00 -0.71 0.00 0.00 33.22 31.82 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 1.04 0.00 -0.79 7.83 2.35 -1.43 -3.17 115.58 121.40 2wbk h ASN 77 Ca 0.00 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.94 2wbk h ASN 77 Cb 0.58 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.82 2wbk h ASN 77 CO 0.07 0.10 0.17 -0.08 -1.65 0.00 0.00 177.43 176.03 2wbk h GLU 78 N 0.00 0.21 -0.01 0.81 4.81 -1.81 0.37 114.58 118.97 2wbk h GLU 78 Ca -0.00 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2wbk h GLU 78 Cb 0.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2wbk h GLU 78 CO 0.01 0.14 -0.29 0.87 -0.73 0.00 0.00 179.01 179.01 2wbk h LYS 79 N 0.22 0.01 0.00 1.92 1.57 -1.93 -2.94 116.57 115.42 2wbk h LYS 79 Ca 0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2wbk h LYS 79 Cb 0.85 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2wbk h LYS 79 CO -0.59 0.30 0.00 1.63 -0.57 0.00 0.00 179.45 180.22 2wbk n LYS 80 N -4.19 0.36 -0.00 3.15 5.02 0.13 -3.54 118.16 119.10 2wbk n LYS 80 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2wbk n LYS 80 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.32 0.17 0.25 -0.18 -5.35 -1.11 -4.65 119.36 107.18 2wbk n ILE 81 Ca 0.13 -0.59 0.08 0.00 -0.27 0.00 0.00 62.75 62.11 2wbk n ILE 81 Cb 0.26 0.92 0.63 0.00 -1.74 0.00 0.00 39.64 39.71 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 0.12 0.00 -0.92 6.28 1.08 -1.61 -3.16 115.11 116.90 2wbk h GLN 82 Ca 0.00 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.43 2wbk h GLN 82 Cb 0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.48 2wbk h GLN 82 CO 0.00 0.07 0.62 0.11 -0.95 0.00 0.00 178.83 178.68 2wbk h TRP 83 N 0.00 0.41 -0.77 2.96 5.08 -1.84 -2.03 115.95 119.77 2wbk h TRP 83 Ca -0.00 0.01 0.16 0.00 1.08 0.00 0.00 58.89 60.14 2wbk h TRP 83 Cb 0.13 -0.12 -0.11 0.00 -3.00 0.00 0.00 29.16 26.06 2wbk h TRP 83 CO 0.00 0.09 0.26 0.28 -1.28 0.00 0.00 178.44 177.79 2wbk h VAL 84 N 0.29 0.57 0.00 0.12 2.07 -1.92 -1.42 116.25 115.96 2wbk h VAL 84 Ca 0.48 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.87 2wbk h VAL 84 Cb 1.37 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2wbk h VAL 84 CO -0.15 0.07 -0.02 1.05 0.02 0.00 0.00 177.57 178.54 2wbk h GLU 85 N 0.36 0.00 -0.00 1.57 4.11 -1.58 -2.78 114.58 116.26 2wbk h GLU 85 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 2wbk h GLU 85 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2wbk h GLU 85 CO -0.47 0.02 -0.37 0.09 0.07 0.00 0.00 179.01 178.35 2wbk n ASN 86 N -3.26 0.50 -4.93 3.06 5.03 -0.53 -4.40 115.26 110.73 2wbk n ASN 86 Ca -0.02 -0.26 -0.28 0.00 0.87 0.00 0.00 54.58 54.90 2wbk n ASN 86 Cb 0.14 0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 38.98 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 -2.89 3.52 0.24 3.52 0.41 -1.05 -4.87 118.70 117.58 2wbk s GLU 87 Ca 0.14 -0.33 -0.08 0.00 -0.41 0.00 0.00 54.97 54.30 2wbk s GLU 87 Cb 0.18 -2.84 -0.06 0.00 -1.78 0.00 0.00 34.13 29.62 2wbk s GLU 87 CO 0.64 0.41 0.54 -0.51 -0.49 0.00 0.00 175.26 175.84 2wbk s ASP 88 N -3.12 6.55 0.01 -0.19 1.01 -1.26 -4.06 116.67 115.60 2wbk s ASP 88 Ca 0.38 0.82 0.03 0.00 0.71 0.00 0.00 52.55 54.50 2wbk s ASP 88 Cb -0.11 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 2wbk s ASP 88 CO 0.29 -0.11 -0.11 0.26 0.21 0.00 0.00 175.17 175.72 2wbk s TRP 89 N -1.90 0.93 -0.01 4.23 0.52 -0.68 -1.15 118.94 120.88 2wbk s TRP 89 Ca 0.46 -0.23 0.08 0.00 0.02 0.00 0.00 56.10 56.42 2wbk s TRP 89 Cb -0.11 -0.58 -0.02 0.00 -1.15 0.00 0.00 33.47 31.60 2wbk s TRP 89 CO 0.25 -0.01 -0.25 -1.21 0.02 0.00 0.00 176.95 175.75 2wbk s GLU 90 N -0.53 1.99 0.00 4.98 2.02 0.48 -0.35 118.70 127.29 2wbk s GLU 90 Ca 0.02 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.13 2wbk s GLU 90 Cb -0.05 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2wbk s GLU 90 CO 0.00 0.53 -0.16 0.71 0.02 0.00 0.00 175.26 176.37 2wbk s TYR 91 N -0.62 1.39 0.05 1.61 2.02 0.68 -0.67 117.35 121.80 2wbk s TYR 91 Ca 0.10 -0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.41 2wbk s TYR 91 Cb -0.10 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.60 2wbk s TYR 91 CO -0.01 -0.00 0.24 -0.98 -1.57 0.00 0.00 175.55 173.23 2wbk s ARG 92 N -0.55 0.75 0.11 -0.62 1.70 -0.40 0.35 118.95 120.30 2wbk s ARG 92 Ca 0.05 -0.61 -0.16 0.00 -0.47 0.00 0.00 55.73 54.54 2wbk s ARG 92 Cb -0.06 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2wbk s ARG 92 CO -0.00 -0.23 0.40 -0.08 -1.08 0.00 0.00 175.30 174.30 2wbk s THR 93 N -2.69 0.07 0.16 4.99 -1.32 -0.32 -1.29 115.64 115.24 2wbk s THR 93 Ca -0.04 -0.57 0.09 0.00 -1.21 0.00 0.00 61.69 59.95 2wbk s THR 93 Cb -0.00 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 2wbk s THR 93 CO -0.04 -0.32 -0.10 -0.44 -2.21 0.00 0.00 174.62 171.51 2wbk s SER 94 N -2.66 4.24 0.11 8.08 0.01 -1.26 -0.83 113.70 121.40 2wbk s SER 94 Ca 0.01 -0.55 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 2wbk s SER 94 Cb 0.01 -0.72 0.04 0.00 0.21 0.00 0.00 66.02 65.56 2wbk s SER 94 CO -0.10 0.12 0.42 0.72 0.41 0.00 0.00 173.24 174.81 2wbk s PHE 95 N -1.57 -0.25 -0.16 2.43 -0.12 -0.59 -4.96 117.98 112.76 2wbk s PHE 95 Ca 0.24 0.01 -0.07 0.00 -0.05 0.00 0.00 56.93 57.06 2wbk s PHE 95 Cb -0.09 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2wbk s PHE 95 CO 0.14 -0.68 0.09 0.42 -0.05 0.00 0.00 175.22 175.14 2wbk s ILE 96 N -3.48 5.03 -0.10 -4.49 -1.09 -1.26 0.03 121.20 115.85 2wbk s ILE 96 Ca 0.01 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.50 2wbk s ILE 96 Cb 0.01 -3.23 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 2wbk s ILE 96 CO -0.10 0.52 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.24 2wbk s VAL 97 N -0.16 2.41 0.64 2.92 1.01 -0.04 -4.97 120.40 122.21 2wbk s VAL 97 Ca 0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2wbk s VAL 97 Cb -0.12 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.38 2wbk s VAL 97 CO 0.01 0.55 0.91 -0.94 0.00 0.00 0.00 175.10 175.63 2wbk s SER 98 N 0.20 4.93 0.14 3.32 1.04 -1.26 -1.03 113.70 121.04 2wbk s SER 98 Ca -0.12 0.14 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 2wbk s SER 98 Cb -0.16 -0.85 0.02 0.00 0.10 0.00 0.00 66.02 65.13 2wbk s SER 98 CO 0.07 -1.45 1.63 -0.08 0.98 0.00 0.00 173.24 174.39 2wbk h GLU 99 N -0.31 0.80 -0.79 4.02 4.81 -1.98 -1.21 114.58 119.92 2wbk h GLU 99 Ca -0.42 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2wbk h GLU 99 Cb 1.30 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2wbk h GLU 99 CO 0.54 0.81 0.49 0.93 -0.73 0.00 0.00 179.01 181.04 2wbk h GLU 100 N 0.67 1.06 -0.13 1.92 3.07 -1.98 -1.40 114.58 117.78 2wbk h GLU 100 Ca 0.14 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2wbk h GLU 100 Cb 0.40 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2wbk h GLU 100 CO 0.01 0.74 0.08 1.96 -1.40 0.00 0.00 179.01 180.39 2wbk h GLN 101 N 1.07 0.18 -0.11 2.33 4.20 -1.89 -2.83 115.11 118.06 2wbk h GLN 101 Ca 0.28 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.01 2wbk h GLN 101 Cb -0.06 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2wbk h GLN 101 CO -0.06 0.16 0.09 -0.07 -0.67 0.00 0.00 178.83 178.29 2wbk h LEU 102 N 0.14 0.00 0.00 1.46 3.38 -0.97 -2.08 115.31 117.23 2wbk h LEU 102 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wbk h LEU 102 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wbk h LEU 102 CO -0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.11 2wbk n ASN 103 N -4.24 0.00 -4.79 -0.43 3.02 -0.55 -4.88 115.26 103.40 2wbk n ASN 103 Ca -0.00 -0.48 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 2wbk n ASN 103 Cb 0.21 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 2wbk n ASN 103 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2wbk s ARG 104 N -2.26 3.12 0.37 3.52 1.81 -0.79 -4.93 118.95 119.79 2wbk s ARG 104 Ca 0.32 1.28 0.04 0.00 -1.72 0.00 0.00 55.73 55.66 2wbk s ARG 104 Cb 0.18 -2.00 0.70 0.00 -0.45 0.00 0.00 34.95 33.37 2wbk s ARG 104 CO 0.34 -0.98 2.00 -0.44 -0.68 0.00 0.00 175.30 175.55 2wbk h ASP 105 N 0.30 0.61 -4.13 0.23 3.32 -1.65 -3.45 116.42 111.66 2wbk h ASP 105 Ca -0.47 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.36 2wbk h ASP 105 Cb 1.23 -0.15 -0.25 0.00 0.22 0.00 0.00 39.33 40.37 2wbk h ASP 105 CO 0.56 0.48 -0.60 -0.83 -1.72 0.00 0.00 179.24 177.13 2wbk s GLY 106 N -3.60 -0.01 -0.03 2.75 0.00 -0.15 -4.91 107.32 101.37 2wbk s GLY 106 Ca -0.09 0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.71 2wbk s GLY 106 CO 0.75 0.03 0.03 -0.42 0.00 0.00 0.00 173.10 173.49 2wbk s ILE 107 N -0.39 0.04 0.01 0.90 1.01 -1.26 -0.88 121.20 120.62 2wbk s ILE 107 Ca -0.05 0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.91 2wbk s ILE 107 Cb -0.03 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 2wbk s ILE 107 CO 0.00 0.14 -0.26 -1.10 0.00 0.00 0.00 174.94 173.73 2wbk s GLN 108 N 1.41 1.89 -0.20 2.79 -0.21 -0.31 -0.66 119.66 124.37 2wbk s GLN 108 Ca -0.05 -1.00 -0.05 0.00 0.02 0.00 0.00 55.36 54.28 2wbk s GLN 108 Cb -0.13 -1.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 2wbk s GLN 108 CO -0.03 0.52 0.01 -1.17 -2.12 0.00 0.00 175.29 172.50 2wbk s LEU 109 N -0.93 3.30 -0.20 2.90 2.96 0.15 -0.59 118.68 126.28 2wbk s LEU 109 Ca 0.11 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2wbk s LEU 109 Cb -0.10 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 2wbk s LEU 109 CO 0.01 0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.37 2wbk s ILE 110 N 0.99 2.95 -0.37 6.68 1.01 -0.22 -0.33 121.20 131.90 2wbk s ILE 110 Ca 0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 2wbk s ILE 110 Cb -0.14 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.04 2wbk s ILE 110 CO 0.02 0.47 0.22 -0.36 0.00 0.00 0.00 174.94 175.29 2wbk s PHE 111 N 1.30 3.24 -0.93 3.97 0.08 0.26 -1.76 117.98 124.13 2wbk s PHE 111 Ca 0.04 -0.83 0.20 0.00 0.12 0.00 0.00 56.93 56.46 2wbk s PHE 111 Cb -0.14 -2.46 0.83 0.00 -0.57 0.00 0.00 43.02 40.68 2wbk s PHE 111 CO -0.05 -0.61 1.63 0.39 -0.10 0.00 0.00 175.22 176.48 2wbk n GLU 112 N 5.03 0.04 -3.37 0.44 1.02 -0.85 -0.47 120.64 122.47 2wbk n GLU 112 Ca -0.12 0.20 0.02 0.00 -0.02 0.00 0.00 57.16 57.25 2wbk n GLU 112 Cb 0.47 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 2wbk n GLU 112 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wbk s GLY 113 N -3.09 0.26 -0.11 0.62 0.00 -1.26 -4.25 107.32 99.49 2wbk s GLY 113 Ca 0.09 3.56 0.03 0.00 0.00 0.00 0.00 44.72 48.39 2wbk s GLY 113 CO 0.37 3.15 -0.18 1.08 0.00 0.00 0.00 173.10 177.51 2wbk s LEU 114 N 1.82 1.89 -0.43 0.66 1.43 -1.26 -2.48 118.68 120.31 2wbk s LEU 114 Ca -0.03 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2wbk s LEU 114 Cb -0.02 -1.21 0.11 0.00 0.03 0.00 0.00 46.19 45.10 2wbk s LEU 114 CO -0.15 0.07 0.22 -0.62 0.23 0.00 0.00 176.35 176.10 2wbk s ASP 115 N 0.75 5.26 0.02 2.29 -1.08 0.27 -3.74 116.67 120.44 2wbk s ASP 115 Ca -0.11 -2.10 0.00 0.00 -0.52 0.00 0.00 52.55 49.82 2wbk s ASP 115 Cb -0.16 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.47 2wbk s ASP 115 CO 0.02 -0.53 0.00 0.41 0.52 0.00 0.00 175.17 175.58 2wbk n THR 116 N 4.50 0.00 -3.11 1.71 -1.04 -1.26 -1.01 114.28 114.07 2wbk n THR 116 Ca -0.01 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.55 2wbk n THR 116 Cb 0.41 -0.47 -0.03 0.00 -1.82 0.00 0.00 70.33 68.42 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 3.20 -0.12 -1.42 2.02 -1.26 -3.14 117.35 114.62 2wbk s TYR 117 Ca 0.00 -1.30 0.01 0.00 -0.37 0.00 0.00 57.07 55.40 2wbk s TYR 117 Cb 0.00 -4.05 0.02 0.00 -0.40 0.00 0.00 41.96 37.53 2wbk s TYR 117 CO 0.00 -1.28 -0.13 0.00 -1.57 0.00 0.00 175.55 172.57 2wbk s ALA 118 N 2.13 1.66 -0.25 3.71 0.00 -1.00 -0.49 121.76 127.51 2wbk s ALA 118 Ca 0.19 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 2wbk s ALA 118 Cb -0.16 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2wbk s ALA 118 CO -0.01 -0.28 0.40 -0.51 0.00 0.00 0.00 175.76 175.36 2wbk s ASP 119 N 1.36 6.32 -0.23 0.00 1.01 -0.36 -0.51 116.67 124.27 2wbk s ASP 119 Ca 0.01 0.37 -0.07 0.00 0.71 0.00 0.00 52.55 53.57 2wbk s ASP 119 Cb -0.13 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 2wbk s ASP 119 CO -0.07 -0.17 0.05 -0.69 0.21 0.00 0.00 175.17 174.50 2wbk s VAL 120 N 1.93 4.29 -0.11 -1.27 1.01 0.10 -1.58 120.40 124.77 2wbk s VAL 120 Ca 0.17 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2wbk s VAL 120 Cb -0.15 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 2wbk s VAL 120 CO 0.09 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 175.05 2wbk s TYR 121 N 1.30 2.63 -0.13 5.22 2.02 0.54 -0.39 117.35 128.54 2wbk s TYR 121 Ca 0.05 -0.96 -0.00 0.00 -0.37 0.00 0.00 57.07 55.78 2wbk s TYR 121 Cb -0.15 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2wbk s TYR 121 CO 0.03 -0.38 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.37 2wbk s LEU 122 N 0.38 1.37 -1.41 -1.29 2.96 0.28 -0.84 118.68 120.13 2wbk s LEU 122 Ca -0.16 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2wbk s LEU 122 Cb -0.17 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.58 2wbk s LEU 122 CO 0.07 -0.11 0.48 0.59 -1.32 0.00 0.00 176.35 176.06 2wbk n ASN 123 N 4.89 -0.64 0.00 3.68 3.02 -0.84 -1.31 115.26 124.05 2wbk n ASN 123 Ca -0.14 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 2wbk n ASN 123 Cb 0.50 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 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 1.56 3.69 7.41 0.00 -1.26 -5.03 105.19 109.65 2wbk n GLY 124 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.14 5.69 -0.58 1.61 0.15 -0.43 -5.07 113.70 111.94 2wbk s SER 125 Ca 0.00 0.16 -0.28 0.00 0.70 0.00 0.00 55.95 56.53 2wbk s SER 125 Cb 0.00 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.43 2wbk s SER 125 CO 0.00 0.25 1.35 -0.22 1.20 0.00 0.00 173.24 175.82 2wbk s LEU 126 N -0.10 3.40 0.05 3.45 2.96 -1.26 -0.55 118.68 126.63 2wbk s LEU 126 Ca 0.07 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2wbk s LEU 126 Cb -0.12 -3.05 -0.25 0.00 0.50 0.00 0.00 46.19 43.26 2wbk s LEU 126 CO 0.01 -1.66 1.05 -0.07 -1.32 0.00 0.00 176.35 174.36 2wbk h LEU 127 N 12.81 0.23 -7.00 -0.68 3.38 -1.09 -3.48 115.31 119.49 2wbk h LEU 127 Ca -0.26 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2wbk h LEU 127 Cb 1.08 -0.08 -0.23 0.00 0.09 0.00 0.00 40.66 41.53 2wbk h LEU 127 CO 1.19 1.23 0.22 -0.22 0.09 0.00 0.00 178.44 180.95 2wbk s LEU 128 N -6.84 -0.67 -0.62 1.67 2.96 -1.22 -5.02 118.68 108.94 2wbk s LEU 128 Ca -0.04 1.27 -0.06 0.00 -0.22 0.00 0.00 54.13 55.08 2wbk s LEU 128 Cb 0.08 2.26 0.16 0.00 0.50 0.00 0.00 46.19 49.20 2wbk s LEU 128 CO 0.85 -0.22 0.46 -0.54 -1.32 0.00 0.00 176.35 175.58 2wbk s LYS 129 N 0.50 2.67 0.40 1.98 1.02 -1.26 -0.72 119.74 124.33 2wbk s LYS 129 Ca -0.00 -2.35 -0.23 0.00 0.02 0.00 0.00 55.97 53.41 2wbk s LYS 129 Cb -0.05 -3.86 -0.09 0.00 -0.52 0.00 0.00 37.83 33.30 2wbk s LYS 129 CO -0.04 -1.19 1.01 0.00 -0.92 0.00 0.00 175.35 174.22 2wbk s ALA 130 N 0.29 3.07 0.00 5.17 0.00 0.34 -4.90 121.76 125.73 2wbk s ALA 130 Ca 0.15 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2wbk s ALA 130 Cb -0.20 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2wbk s ALA 130 CO -0.04 -0.10 0.74 -0.40 0.00 0.00 0.00 175.76 175.96 2wbk n ASP 131 N -0.17 -0.10 -3.34 0.00 5.75 -1.19 -2.38 116.55 115.13 2wbk n ASP 131 Ca 0.05 -1.46 -0.09 0.00 -0.01 0.00 0.00 54.79 53.28 2wbk n ASP 131 Cb 0.51 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.53 0.29 0.46 -1.12 3.84 -1.25 -4.51 114.94 112.11 2wbk s ASN 132 Ca 0.02 0.11 0.17 0.00 0.21 0.00 0.00 52.86 53.37 2wbk s ASN 132 Cb 0.03 1.11 1.14 0.00 -0.55 0.00 0.00 41.25 42.97 2wbk s ASN 132 CO -0.01 -0.31 1.97 -0.03 -2.79 0.00 0.00 177.10 175.93 2wbk h MET 133 N 8.18 0.29 -0.22 0.43 1.85 -1.34 -2.25 114.93 121.86 2wbk h MET 133 Ca -0.18 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.90 2wbk h MET 133 Cb 1.15 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.11 2wbk h MET 133 CO 0.27 0.19 0.00 1.19 -0.40 0.00 0.00 176.91 178.16 2wbk n PHE 134 N -4.45 0.28 -4.54 1.39 3.72 -1.26 -4.41 117.46 108.19 2wbk n PHE 134 Ca 0.10 -0.14 -0.34 0.00 -0.05 0.00 0.00 57.45 57.03 2wbk n PHE 134 Cb 0.46 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.88 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 -1.72 3.70 0.04 -4.37 1.01 -0.85 -4.69 120.40 113.53 2wbk s VAL 135 Ca 0.24 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 2wbk s VAL 135 Cb 0.13 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2wbk s VAL 135 CO 0.18 0.54 0.56 -0.83 0.00 0.00 0.00 175.10 175.55 2wbk s GLY 136 N -0.11 2.63 -0.07 4.51 0.00 -1.26 -4.36 107.32 108.66 2wbk s GLY 136 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.78 2wbk s GLY 136 CO 0.03 0.54 -0.18 -0.19 0.00 0.00 0.00 173.10 173.30 2wbk s TYR 137 N -0.78 1.93 -0.16 1.90 2.02 0.38 -4.98 117.35 117.66 2wbk s TYR 137 Ca 0.29 -0.72 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2wbk s TYR 137 Cb -0.19 -1.33 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 2wbk s TYR 137 CO 0.18 -0.31 -0.18 0.99 -1.57 0.00 0.00 175.55 174.67 2wbk s THR 138 N 0.41 2.39 -0.11 -0.71 2.01 -1.26 -0.58 115.64 117.80 2wbk s THR 138 Ca -0.14 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2wbk s THR 138 Cb -0.16 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.36 2wbk s THR 138 CO 0.05 0.52 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.58 2wbk s LEU 139 N 0.96 1.79 -0.06 4.42 1.43 0.55 -4.97 118.68 122.79 2wbk s LEU 139 Ca -0.03 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2wbk s LEU 139 Cb -0.15 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 2wbk s LEU 139 CO -0.04 0.04 1.50 -2.16 0.23 0.00 0.00 176.35 175.92 2wbk s PRO 140 N 0.88 4.22 0.00 1.29 0.04 -1.26 -0.67 135.00 139.50 2wbk s PRO 140 Ca -0.08 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2wbk s PRO 140 Cb -0.15 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2wbk s PRO 140 CO -0.00 -0.75 0.32 1.33 0.04 0.00 0.00 177.00 177.94 2wbk n VAL 141 N 5.23 0.00 -0.21 -0.36 0.24 0.17 -4.83 118.33 118.57 2wbk n VAL 141 Ca 0.15 -0.36 0.02 0.00 -2.04 0.00 0.00 64.34 62.12 2wbk n VAL 141 Cb 0.43 1.26 0.13 0.00 -1.47 0.00 0.00 33.84 34.19 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 0.22 0.00 7.34 3.64 -1.89 -0.27 116.57 125.61 2wbk h LYS 142 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wbk h LYS 142 Cb 0.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2wbk h LYS 142 CO 0.00 0.14 0.00 -1.13 -2.27 0.00 0.00 179.45 176.19 2wbk n SER 143 N -5.18 0.65 -0.01 4.20 3.41 -1.26 -2.59 113.62 112.84 2wbk n SER 143 Ca 0.10 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.37 2wbk n SER 143 Cb 0.37 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.21 0.92 -2.05 -3.33 0.31 -0.21 -4.99 118.33 106.77 2wbk n VAL 144 Ca 0.03 -0.68 -0.33 0.00 -0.01 0.00 0.00 64.34 63.34 2wbk n VAL 144 Cb 0.25 -0.47 0.02 0.00 -0.91 0.00 0.00 33.84 32.72 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 -5.38 3.56 0.10 7.52 1.43 -0.63 -4.83 118.68 120.45 2wbk s LEU 145 Ca -0.06 1.98 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 2wbk s LEU 145 Cb 0.09 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2wbk s LEU 145 CO 0.84 -1.30 -0.15 -0.13 0.23 0.00 0.00 176.35 175.84 2wbk s ARG 146 N -3.80 0.95 0.19 1.70 0.52 -1.26 -5.01 118.95 112.23 2wbk s ARG 146 Ca 0.67 -1.13 -0.32 0.00 -0.52 0.00 0.00 55.73 54.44 2wbk s ARG 146 Cb -0.19 -0.91 -0.11 0.00 0.52 0.00 0.00 34.95 34.26 2wbk s ARG 146 CO 0.34 0.19 1.68 0.21 0.02 0.00 0.00 175.30 177.74 2wbk s LYS 147 N -2.28 4.15 1.03 3.54 2.20 -1.26 -4.42 119.74 122.70 2wbk s LYS 147 Ca 0.05 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 2wbk s LYS 147 Cb -0.07 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 2wbk s LYS 147 CO 0.03 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 2wbk n GLY 148 N 3.93 0.73 3.75 5.54 0.00 -0.20 -4.94 105.19 114.01 2wbk n GLY 148 Ca 0.15 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 2wbk n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wbk s GLU 149 N 0.00 4.57 0.02 1.61 2.02 -1.26 -0.86 118.70 124.80 2wbk s GLU 149 Ca 0.00 1.88 0.03 0.00 0.02 0.00 0.00 54.97 56.90 2wbk s GLU 149 Cb 0.00 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 2wbk s GLU 149 CO 0.00 0.08 -0.10 -0.80 0.02 0.00 0.00 175.26 174.46 2wbk s ASN 150 N -0.56 1.21 -0.18 -0.19 0.01 0.10 -4.81 114.94 110.53 2wbk s ASN 150 Ca 0.47 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 52.27 2wbk s ASN 150 Cb -0.33 -0.08 0.03 0.00 0.41 0.00 0.00 41.25 41.29 2wbk s ASN 150 CO 0.41 0.01 -0.12 -1.00 -1.51 0.00 0.00 177.10 174.89 2wbk s HIS 151 N -0.70 2.36 -0.22 2.20 3.76 -1.26 -1.54 115.29 119.88 2wbk s HIS 151 Ca -0.00 -1.47 -0.08 0.00 -0.15 0.00 0.00 55.06 53.36 2wbk s HIS 151 Cb -0.06 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 2wbk s HIS 151 CO 0.00 -0.72 0.10 -1.17 -0.85 0.00 0.00 174.74 172.10 2wbk s LEU 152 N 1.42 3.77 0.02 0.89 2.96 -0.01 -2.00 118.68 125.74 2wbk s LEU 152 Ca 0.01 -0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 2wbk s LEU 152 Cb -0.15 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2wbk s LEU 152 CO -0.09 0.07 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.52 2wbk s TYR 153 N 1.03 1.51 -0.04 5.38 1.51 -0.02 -1.17 117.35 125.54 2wbk s TYR 153 Ca 0.05 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2wbk s TYR 153 Cb -0.14 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2wbk s TYR 153 CO 0.03 0.03 0.00 0.42 -1.11 0.00 0.00 175.55 174.93 2wbk s ILE 154 N -0.63 0.21 -0.37 2.71 1.01 0.15 -0.34 121.20 123.94 2wbk s ILE 154 Ca 0.05 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 2wbk s ILE 154 Cb -0.07 -0.33 0.03 0.00 0.01 0.00 0.00 42.46 42.09 2wbk s ILE 154 CO 0.01 0.18 0.21 -0.47 0.00 0.00 0.00 174.94 174.87 2wbk s TYR 155 N 1.36 3.24 -0.51 3.97 5.04 -0.61 -0.23 117.35 129.61 2wbk s TYR 155 Ca -0.05 -0.92 -0.20 0.00 -2.44 0.00 0.00 57.07 53.46 2wbk s TYR 155 Cb -0.13 -2.45 0.05 0.00 0.35 0.00 0.00 41.96 39.78 2wbk s TYR 155 CO -0.02 -0.64 0.66 -0.06 -1.34 0.00 0.00 175.55 174.15 2wbk s PHE 156 N 1.57 3.02 0.28 4.97 0.08 0.53 -1.22 117.98 127.20 2wbk s PHE 156 Ca 0.02 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 2wbk s PHE 156 Cb -0.19 -3.57 -0.10 0.00 -0.57 0.00 0.00 43.02 38.58 2wbk s PHE 156 CO 0.07 -1.05 1.43 -1.01 -0.10 0.00 0.00 175.22 174.55 2wbk s HIS 157 N 2.78 2.98 -0.03 0.36 3.76 0.36 -1.69 115.29 123.80 2wbk s HIS 157 Ca 0.17 1.10 -0.36 0.00 -0.15 0.00 0.00 55.06 55.82 2wbk s HIS 157 Cb -0.18 -3.82 -0.14 0.00 1.11 0.00 0.00 32.58 29.54 2wbk s HIS 157 CO 0.13 -2.58 1.65 0.45 -0.85 0.00 0.00 174.74 173.54 2wbk n SER 158 N 1.88 2.68 0.26 1.40 2.88 -1.26 -4.48 113.62 116.98 2wbk n SER 158 Ca 0.05 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.78 2wbk n SER 158 Cb 0.40 -1.29 0.73 0.00 -0.75 0.00 0.00 64.21 63.31 2wbk n SER 158 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wbk h PRO 159 N 6.82 0.00 0.51 -1.46 0.13 -1.91 -0.43 132.00 135.65 2wbk h PRO 159 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2wbk h PRO 159 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2wbk h PRO 159 CO 0.90 0.11 -0.25 0.82 -0.23 0.00 0.00 178.00 179.35 2wbk h ILE 160 N 0.00 0.00 0.00 -3.56 1.08 -1.89 -2.91 117.51 110.23 2wbk h ILE 160 Ca -0.00 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2wbk h ILE 160 Cb 0.32 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2wbk h ILE 160 CO 0.01 0.00 -0.03 0.08 -0.69 0.00 0.00 178.15 177.53 2wbk h ARG 161 N -0.99 0.00 -0.05 2.37 -0.00 -1.76 -0.77 114.38 113.18 2wbk h ARG 161 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.76 2wbk h ARG 161 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.48 2wbk h ARG 161 CO 0.12 0.03 -0.65 0.37 -0.00 0.00 0.00 179.97 179.83 2wbk h GLN 162 N 0.00 0.19 -0.01 0.08 5.75 -1.17 -3.26 115.11 116.68 2wbk h GLN 162 Ca -0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2wbk h GLN 162 Cb 0.06 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2wbk h GLN 162 CO 0.00 0.78 -0.34 0.25 -2.65 0.00 0.00 178.83 176.88 2wbk n THR 163 N -3.82 0.00 -0.23 2.39 -2.24 -0.67 -4.50 114.28 105.21 2wbk n THR 163 Ca -0.02 -0.33 0.03 0.00 -2.27 0.00 0.00 64.05 61.45 2wbk n THR 163 Cb 0.65 1.22 0.13 0.00 -2.10 0.00 0.00 70.33 70.23 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 2.11 -0.27 -0.56 3.22 3.38 -1.22 0.59 115.31 122.55 2wbk h LEU 164 Ca 0.00 0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2wbk h LEU 164 Cb 0.62 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2wbk h LEU 164 CO 0.00 -0.13 -0.31 1.55 0.09 0.00 0.00 178.44 179.64 2wbk h PRO 165 N 0.13 0.00 -0.31 1.13 0.13 -1.79 0.11 132.00 131.41 2wbk h PRO 165 Ca 0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.45 2wbk h PRO 165 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2wbk h PRO 165 CO -0.57 0.31 0.01 0.37 -0.23 0.00 0.00 178.00 177.89 2wbk h GLN 166 N 0.00 0.53 -0.57 0.86 4.15 -1.65 -2.10 115.11 116.32 2wbk h GLN 166 Ca -0.00 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.22 2wbk h GLN 166 Cb 1.02 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 2wbk h GLN 166 CO 0.04 0.66 0.22 -0.92 -1.93 0.00 0.00 178.83 176.90 2wbk h TYR 167 N 0.33 0.89 -0.04 3.99 3.20 -0.33 -2.35 116.97 122.66 2wbk h TYR 167 Ca 0.09 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 2wbk h TYR 167 Cb 0.41 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2wbk h TYR 167 CO 0.03 0.73 -0.27 0.00 -1.64 0.00 0.00 178.16 177.01 2wbk h ALA 168 N 1.07 1.48 0.00 1.82 0.00 -0.96 -0.54 119.26 122.12 2wbk h ALA 168 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wbk h ALA 168 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wbk h ALA 168 CO -0.01 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.28 2wbk h SER 169 N 0.07 0.00 0.73 0.00 4.64 -0.85 -3.34 113.55 114.80 2wbk h SER 169 Ca 0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 2wbk h SER 169 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2wbk h SER 169 CO 0.04 0.00 -0.75 -1.13 -0.87 0.00 0.00 176.83 174.12 2wbk h ASN 170 N 0.00 0.01 0.00 4.97 -1.24 -0.81 -3.48 115.58 115.04 2wbk h ASN 170 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2wbk h ASN 170 Cb 0.61 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2wbk h ASN 170 CO 0.00 0.75 0.00 0.61 -1.29 0.00 0.00 177.43 177.50 2wbk n GLY 171 N 0.61 1.11 3.51 1.57 0.00 -1.25 -4.97 105.19 105.77 2wbk n GLY 171 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.93 -0.13 -0.26 1.61 -0.12 -1.26 -5.14 117.98 108.75 2wbk s PHE 172 Ca 0.00 -0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 56.61 2wbk s PHE 172 Cb 0.00 0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 42.78 2wbk s PHE 172 CO 0.00 -0.90 0.03 1.21 -0.05 0.00 0.00 175.22 175.51 2wbk s ASN 173 N -2.87 4.81 0.48 1.98 2.47 -1.26 -5.01 114.94 115.54 2wbk s ASN 173 Ca 0.09 -0.54 -0.21 0.00 0.42 0.00 0.00 52.86 52.61 2wbk s ASN 173 Cb -0.01 -1.83 -0.10 0.00 -1.45 0.00 0.00 41.25 37.87 2wbk s ASN 173 CO -0.03 -0.11 0.78 -1.22 -3.72 0.00 0.00 177.10 172.80 2wbk n TYR 174 N 4.84 0.28 -1.62 0.43 4.01 -1.26 -4.86 117.16 118.98 2wbk n TYR 174 Ca -0.16 0.53 -0.33 0.00 -0.16 0.00 0.00 57.90 57.78 2wbk n TYR 174 Cb 0.49 -2.09 -0.04 0.00 -0.31 0.00 0.00 39.34 37.39 2wbk n TYR 174 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2wbk n PRO 175 N 0.03 3.54 -3.14 -0.72 -0.04 -1.26 -4.74 135.00 128.67 2wbk n PRO 175 Ca 0.11 -2.64 -0.44 0.00 -0.04 0.00 0.00 63.50 60.48 2wbk n PRO 175 Cb 0.42 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 2wbk n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wbk n ALA 176 N 1.92 4.31 0.30 0.55 0.00 -1.26 -4.79 120.51 121.54 2wbk n ALA 176 Ca 0.59 -4.55 0.19 0.00 0.00 0.00 0.00 53.44 49.67 2wbk n ALA 176 Cb 0.41 -2.64 0.95 0.00 0.00 0.00 0.00 19.45 18.17 2wbk n ALA 176 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wbk h ASP 177 N 6.59 0.00 0.93 0.00 3.32 -1.87 -1.68 116.42 123.70 2wbk h ASP 177 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2wbk h ASP 177 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2wbk h ASP 177 CO 1.15 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 179.29 2wbk n ASN 178 N -3.25 0.28 -4.54 6.45 3.02 -1.26 -4.53 115.26 111.42 2wbk n ASN 178 Ca -0.02 0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 54.65 2wbk n ASN 178 Cb 0.17 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 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 -3.52 6.36 -1.37 6.41 -1.08 -0.63 -3.17 116.67 119.66 2wbk s ASP 179 Ca 0.10 -0.23 -0.11 0.00 -0.52 0.00 0.00 52.55 51.79 2wbk s ASP 179 Cb 0.14 -2.48 0.10 0.00 -1.46 0.00 0.00 42.92 39.22 2wbk s ASP 179 CO 0.45 -1.36 2.08 1.41 0.52 0.00 0.00 175.17 178.28 2wbk n HIS 180 N 7.92 3.15 -3.59 -5.34 8.25 -0.69 -4.79 115.22 120.14 2wbk n HIS 180 Ca 0.04 -2.88 -0.14 0.00 -0.26 0.00 0.00 57.72 54.48 2wbk n HIS 180 Cb 0.48 -2.22 -0.06 0.00 1.12 0.00 0.00 29.99 29.32 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 1.56 -0.43 0.33 4.41 5.04 -1.26 -5.01 115.29 119.93 2wbk s HIS 181 Ca 0.44 0.52 0.01 0.00 -1.54 0.00 0.00 55.06 54.49 2wbk s HIS 181 Cb 0.12 0.32 0.55 0.00 0.04 0.00 0.00 32.58 33.61 2wbk s HIS 181 CO -0.04 -0.62 1.98 1.05 -2.34 0.00 0.00 174.74 174.77 2wbk h GLU 182 N 2.91 0.91 -5.05 2.88 4.11 -2.02 -3.39 114.58 114.92 2wbk h GLU 182 Ca -0.30 -0.07 -0.63 0.00 0.07 0.00 0.00 59.36 58.43 2wbk h GLU 182 Cb 1.20 -0.20 -0.16 0.00 0.50 0.00 0.00 28.75 30.10 2wbk h GLU 182 CO 0.41 0.63 -0.36 0.15 0.07 0.00 0.00 179.01 179.91 2wbk s LYS 183 N -5.72 3.99 -1.16 1.06 1.02 -1.26 -5.00 119.74 112.67 2wbk s LYS 183 Ca -0.10 -0.11 -0.17 0.00 0.02 0.00 0.00 55.97 55.61 2wbk s LYS 183 Cb 0.17 -3.65 0.12 0.00 -0.52 0.00 0.00 37.83 33.95 2wbk s LYS 183 CO 0.78 -0.23 1.47 -1.01 -0.92 0.00 0.00 175.35 175.44 2wbk s HIS 184 N 1.91 3.13 -0.91 3.18 3.76 -1.26 -4.74 115.29 120.35 2wbk s HIS 184 Ca 0.12 -1.72 0.25 0.00 -0.15 0.00 0.00 55.06 53.56 2wbk s HIS 184 Cb -0.16 -4.48 0.58 0.00 1.11 0.00 0.00 32.58 29.63 2wbk s HIS 184 CO 0.10 -1.59 1.47 1.28 -0.85 0.00 0.00 174.74 175.16 2wbk n LEU 185 N 6.93 0.48 -0.17 0.89 4.77 -1.26 -3.95 117.00 124.69 2wbk n LEU 185 Ca 0.37 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.51 2wbk n LEU 185 Cb 0.46 -0.27 0.29 0.00 -2.33 0.00 0.00 43.42 41.57 2wbk n LEU 185 CO 0.65 0.06 1.22 0.77 -1.33 0.00 0.00 177.39 178.76 2wbk h SER 186 N 0.00 0.76 0.55 -1.43 4.64 -1.93 -2.84 113.55 113.30 2wbk h SER 186 Ca 0.00 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2wbk h SER 186 Cb 0.56 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2wbk h SER 186 CO 0.00 0.54 -0.08 -0.37 -0.87 0.00 0.00 176.83 176.05 2wbk h VAL 187 N 0.89 0.33 0.00 0.95 -1.51 -1.96 -2.24 116.25 112.71 2wbk h VAL 187 Ca 0.26 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2wbk h VAL 187 Cb -0.05 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 2wbk h VAL 187 CO -0.06 0.08 -0.07 -0.26 -1.23 0.00 0.00 177.57 176.03 2wbk h PHE 188 N 0.00 0.00 -3.46 5.19 0.04 -1.78 -3.41 116.94 113.52 2wbk h PHE 188 Ca -0.00 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.10 2wbk h PHE 188 Cb 0.38 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.35 2wbk h PHE 188 CO 0.00 0.00 -0.66 -1.12 -0.60 0.00 0.00 178.31 175.93 2wbk s SER 189 N -5.15 4.88 -1.09 2.17 0.01 -0.84 -5.02 113.70 108.64 2wbk s SER 189 Ca 0.09 0.00 -0.18 0.00 1.31 0.00 0.00 55.95 57.17 2wbk s SER 189 Cb 0.10 -1.43 0.11 0.00 0.21 0.00 0.00 66.02 65.01 2wbk s SER 189 CO 0.64 0.32 1.40 -0.13 0.41 0.00 0.00 173.24 175.88 2wbk s ARG 190 N -0.52 3.80 -0.12 12.44 1.81 -1.26 -4.88 118.95 130.21 2wbk s ARG 190 Ca 0.08 -1.86 -0.18 0.00 -1.72 0.00 0.00 55.73 52.06 2wbk s ARG 190 Cb -0.12 -5.19 0.04 0.00 -0.45 0.00 0.00 34.95 29.24 2wbk s ARG 190 CO 0.02 -1.97 0.46 0.21 -0.68 0.00 0.00 175.30 173.33 2wbk s LYS 191 N 3.27 0.64 -0.49 3.54 2.20 -1.26 -1.47 119.74 126.18 2wbk s LYS 191 Ca 0.43 0.41 -0.41 0.00 -0.36 0.00 0.00 55.97 56.04 2wbk s LYS 191 Cb -0.01 0.30 -0.17 0.00 -1.51 0.00 0.00 37.83 36.44 2wbk s LYS 191 CO -0.04 -0.12 2.19 0.00 -0.36 0.00 0.00 175.35 177.02 2wbk n ALA 192 N 2.24 0.46 -0.35 3.13 0.00 -1.26 -4.79 120.51 119.93 2wbk n ALA 192 Ca -0.16 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.48 2wbk n ALA 192 Cb 0.57 -2.23 0.30 0.00 0.00 0.00 0.00 19.45 18.09 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 10.17 0.81 0.00 0.00 0.11 -1.69 -0.95 132.00 140.45 2wbk h PRO 193 Ca -0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2wbk h PRO 193 Cb 1.39 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wbk h PRO 193 CO 1.09 0.54 0.00 2.48 -0.21 0.00 0.00 178.00 181.89 2wbk n TYR 194 N -4.71 0.59 0.36 0.65 0.18 0.16 -2.35 117.16 112.04 2wbk n TYR 194 Ca 0.22 0.25 0.14 0.00 1.88 0.00 0.00 57.90 60.39 2wbk n TYR 194 Cb 0.50 -0.90 0.50 0.00 -0.38 0.00 0.00 39.34 39.06 2wbk n TYR 194 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2wbk h SER 195 N 0.00 0.00 -0.06 9.48 4.64 -1.44 -0.78 113.55 125.39 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 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2wbk h SER 195 CO 0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 2wbk n TYR 196 N -2.69 0.06 0.00 4.77 4.01 -0.99 -1.47 117.16 120.86 2wbk n TYR 196 Ca 0.02 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2wbk n TYR 196 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.12 2.62 3.72 2.72 0.00 -0.30 -1.70 105.19 113.38 2wbk n GLY 197 Ca 0.18 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.12 -0.09 -1.92 1.61 -0.11 -1.16 -4.49 118.94 110.66 2wbk s TRP 198 Ca 0.00 -0.15 0.13 0.00 1.22 0.00 0.00 56.10 57.30 2wbk s TRP 198 Cb 0.00 0.61 0.76 0.00 -1.50 0.00 0.00 33.47 33.34 2wbk s TRP 198 CO 0.00 -0.65 1.22 -0.40 -4.62 0.00 0.00 176.95 172.51 2wbk n ASP 199 N -0.51 0.00 -0.14 5.86 5.68 -1.26 -0.87 116.55 125.30 2wbk n ASP 199 Ca -0.07 -0.34 0.02 0.00 -0.50 0.00 0.00 54.79 53.90 2wbk n ASP 199 Cb 0.61 -0.04 0.02 0.00 -1.14 0.00 0.00 41.12 40.58 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 -1.04 0.00 -4.73 2.11 4.27 -1.26 -3.61 117.44 113.18 2wbk n TRP 200 Ca 0.09 -0.28 -0.24 0.00 -3.89 0.00 0.00 57.50 53.18 2wbk n TRP 200 Cb 0.05 -0.05 -0.16 0.00 -1.36 0.00 0.00 31.31 29.80 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 -0.97 0.81 0.38 -1.67 0.00 -0.05 -4.83 107.32 101.00 2wbk s GLY 201 Ca 0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.90 2wbk s GLY 201 CO 0.01 -0.37 1.09 -1.50 0.00 0.00 0.00 173.10 172.33 2wbk s ILE 202 N -0.05 3.50 -0.44 0.90 2.07 -1.26 -2.97 121.20 122.95 2wbk s ILE 202 Ca -0.01 1.23 -0.28 0.00 -1.41 0.00 0.00 60.65 60.18 2wbk s ILE 202 Cb -0.10 -3.67 0.03 0.00 0.13 0.00 0.00 42.46 38.85 2wbk s ILE 202 CO 0.01 0.08 1.07 -0.60 -1.91 0.00 0.00 174.94 173.60 2wbk s ARG 203 N -2.29 3.76 -0.38 3.50 3.52 -1.26 -4.12 118.95 121.69 2wbk s ARG 203 Ca 0.56 0.58 0.02 0.00 -0.13 0.00 0.00 55.73 56.76 2wbk s ARG 203 Cb -0.26 -3.87 0.15 0.00 -1.56 0.00 0.00 34.95 29.41 2wbk s ARG 203 CO 0.33 -1.23 0.27 -1.64 -0.81 0.00 0.00 175.30 172.22 2wbk s MET 204 N 4.10 0.69 -1.25 5.12 -1.94 -0.54 -4.90 119.30 120.58 2wbk s MET 204 Ca 0.45 -1.61 -0.18 0.00 -1.71 0.00 0.00 55.69 52.64 2wbk s MET 204 Cb -0.09 -1.30 0.09 0.00 2.01 0.00 0.00 34.83 35.53 2wbk s MET 204 CO 0.27 -1.28 1.65 0.08 -0.01 0.00 0.00 175.02 175.73 2wbk s VAL 205 N 0.69 4.26 0.75 -6.03 1.01 -1.15 -4.74 120.40 115.19 2wbk s VAL 205 Ca 0.24 -1.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.26 2wbk s VAL 205 Cb -0.12 -5.13 0.13 0.00 0.00 0.00 0.00 36.38 31.25 2wbk s VAL 205 CO -0.07 -1.95 1.03 0.28 0.00 0.00 0.00 175.10 174.39 2wbk s THR 206 N 3.83 2.16 0.24 3.92 -1.32 -1.26 -4.45 115.64 118.75 2wbk s THR 206 Ca 0.51 -0.48 -0.09 0.00 -1.21 0.00 0.00 61.69 60.42 2wbk s THR 206 Cb 0.02 -2.67 -0.02 0.00 -1.51 0.00 0.00 72.50 68.32 2wbk s THR 206 CO 0.05 0.00 0.37 -0.44 -2.21 0.00 0.00 174.62 172.39 2wbk s SER 207 N -4.72 0.02 0.00 8.08 0.01 -1.26 -4.81 113.70 111.02 2wbk s SER 207 Ca 0.66 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2wbk s SER 207 Cb -0.06 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2wbk s SER 207 CO 0.45 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2wbk n GLY 208 N -0.35 2.82 3.56 3.44 0.00 -0.18 -0.91 105.19 113.57 2wbk n GLY 208 Ca -0.00 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.85 3.98 -1.96 1.61 1.01 -1.25 -0.56 120.40 121.38 2wbk s VAL 209 Ca 0.00 -1.02 0.27 0.00 0.00 0.00 0.00 61.98 61.23 2wbk s VAL 209 Cb 0.00 -5.08 0.39 0.00 0.00 0.00 0.00 36.38 31.69 2wbk s VAL 209 CO 0.00 -1.95 1.67 -2.67 0.00 0.00 0.00 175.10 172.15 2wbk n TRP 210 N 8.73 0.00 -4.12 5.22 4.27 -1.04 -1.43 117.44 129.08 2wbk n TRP 210 Ca 0.36 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.86 2wbk n TRP 210 Cb 0.50 -0.09 -0.09 0.00 -1.36 0.00 0.00 31.31 30.27 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 -2.34 1.23 0.87 -2.67 0.52 -1.23 -4.57 118.95 110.76 2wbk s ARG 211 Ca 0.29 -1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 2wbk s ARG 211 Cb 0.20 0.32 0.11 0.00 0.52 0.00 0.00 34.95 36.11 2wbk s ARG 211 CO 0.46 -0.43 1.09 -2.14 0.02 0.00 0.00 175.30 174.30 2wbk s PRO 212 N -4.09 1.49 -0.07 3.54 0.02 -1.26 -4.32 135.00 130.32 2wbk s PRO 212 Ca 0.30 0.85 0.04 0.00 0.02 0.00 0.00 61.00 62.21 2wbk s PRO 212 Cb 0.05 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.74 2wbk s PRO 212 CO 0.08 -2.09 -0.18 0.08 -0.33 0.00 0.00 177.00 174.56 2wbk s VAL 213 N -2.95 1.58 0.03 3.83 1.01 -1.26 -2.01 120.40 120.62 2wbk s VAL 213 Ca 0.63 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 2wbk s VAL 213 Cb -0.17 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2wbk s VAL 213 CO 0.56 0.45 -0.03 0.42 0.00 0.00 0.00 175.10 176.50 2wbk s THR 214 N 0.31 0.15 -0.14 3.92 -4.23 -0.72 -0.94 115.64 113.98 2wbk s THR 214 Ca -0.12 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 2wbk s THR 214 Cb -0.15 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.20 2wbk s THR 214 CO 0.05 -0.58 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.12 2wbk s LEU 215 N -1.72 2.22 -0.25 4.79 2.96 0.38 -1.06 118.68 126.01 2wbk s LEU 215 Ca -0.12 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.26 2wbk s LEU 215 Cb -0.07 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.20 2wbk s LEU 215 CO -0.02 0.09 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.37 2wbk s ARG 216 N 0.75 2.36 -0.21 1.98 3.52 0.25 0.24 118.95 127.85 2wbk s ARG 216 Ca -0.08 -1.27 -0.19 0.00 -0.13 0.00 0.00 55.73 54.06 2wbk s ARG 216 Cb -0.16 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 2wbk s ARG 216 CO 0.00 -0.51 0.55 -0.06 -0.81 0.00 0.00 175.30 174.46 2wbk s PHE 217 N 1.13 3.36 0.26 5.12 0.08 0.18 -1.16 117.98 126.96 2wbk s PHE 217 Ca -0.07 0.80 -0.05 0.00 0.12 0.00 0.00 56.93 57.73 2wbk s PHE 217 Cb -0.19 -2.71 -0.02 0.00 -0.57 0.00 0.00 43.02 39.54 2wbk s PHE 217 CO -0.06 -0.14 0.34 1.52 -0.10 0.00 0.00 175.22 176.78 2wbk s TYR 218 N 1.77 0.92 0.06 0.36 -0.85 -0.06 -0.23 117.35 119.32 2wbk s TYR 218 Ca 0.25 -1.17 0.07 0.00 -0.52 0.00 0.00 57.07 55.71 2wbk s TYR 218 Cb -0.16 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.94 2wbk s TYR 218 CO 0.10 -0.90 -0.18 -0.51 -1.52 0.00 0.00 175.55 172.54 2wbk s ASP 219 N -3.15 3.84 0.00 -0.18 1.01 -1.26 -0.97 116.67 115.95 2wbk s ASP 219 Ca 0.32 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.13 2wbk s ASP 219 Cb 0.02 -0.61 0.00 0.00 1.01 0.00 0.00 42.92 43.34 2wbk s ASP 219 CO 0.14 0.24 0.00 -0.38 0.21 0.00 0.00 175.17 175.38 2wbk n ILE 220 N 1.39 0.00 -3.72 0.77 2.08 -1.26 -4.75 119.36 113.87 2wbk n ILE 220 Ca -0.16 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.06 2wbk n ILE 220 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.38 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 -1.12 0.16 -1.39 0.00 -1.26 -0.09 121.76 118.06 2wbk s ALA 221 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 51.89 2wbk s ALA 221 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 2wbk s ALA 221 CO 0.00 -0.87 -0.13 0.95 0.00 0.00 0.00 175.76 175.71 2wbk s THR 222 N -3.87 1.42 -0.52 0.00 -4.23 -1.01 -4.57 115.64 102.85 2wbk s THR 222 Ca 0.09 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.36 2wbk s THR 222 Cb -0.02 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 72.03 2wbk s THR 222 CO -0.01 -0.60 0.76 -0.63 -0.54 0.00 0.00 174.62 173.59 2wbk s ILE 223 N -2.88 4.67 -0.00 2.99 1.01 -1.26 -1.25 121.20 124.47 2wbk s ILE 223 Ca 0.17 -0.13 0.26 0.00 0.00 0.00 0.00 60.65 60.95 2wbk s ILE 223 Cb -0.01 -4.39 0.29 0.00 0.01 0.00 0.00 42.46 38.36 2wbk s ILE 223 CO 0.03 -0.92 1.81 0.77 0.00 0.00 0.00 174.94 176.63 2wbk h SER 224 N 9.12 0.00 -3.59 3.58 4.64 -1.13 -3.45 113.55 122.72 2wbk h SER 224 Ca -0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 2wbk h SER 224 Cb 1.09 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.95 2wbk h SER 224 CO 1.01 0.13 -0.03 -0.62 -0.87 0.00 0.00 176.83 176.45 2wbk s ASP 225 N -6.05 -0.71 -0.18 4.97 2.15 -1.00 -4.98 116.67 110.86 2wbk s ASP 225 Ca 0.02 1.27 0.00 0.00 0.43 0.00 0.00 52.55 54.28 2wbk s ASP 225 Cb 0.09 1.23 0.04 0.00 -0.30 0.00 0.00 42.92 43.97 2wbk s ASP 225 CO 0.62 -0.22 -0.10 -0.47 -0.17 0.00 0.00 175.17 174.83 2wbk s TYR 226 N 0.85 2.21 -0.12 -5.34 5.04 -1.26 -1.47 117.35 117.25 2wbk s TYR 226 Ca -0.04 -1.41 0.03 0.00 -2.44 0.00 0.00 57.07 53.21 2wbk s TYR 226 Cb -0.05 -1.56 0.01 0.00 0.35 0.00 0.00 41.96 40.71 2wbk s TYR 226 CO -0.07 -0.70 -0.20 -0.47 -1.34 0.00 0.00 175.55 172.77 2wbk s TYR 227 N 1.47 2.44 -0.43 4.97 5.04 -0.36 -4.97 117.35 125.51 2wbk s TYR 227 Ca 0.00 -1.16 -0.09 0.00 -2.44 0.00 0.00 57.07 53.38 2wbk s TYR 227 Cb -0.15 -1.67 0.08 0.00 0.35 0.00 0.00 41.96 40.57 2wbk s TYR 227 CO -0.08 -0.53 0.28 0.08 -1.34 0.00 0.00 175.55 173.96 2wbk s VAL 228 N 0.75 4.28 -0.25 3.14 1.01 -1.26 -0.39 120.40 127.68 2wbk s VAL 228 Ca -0.10 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 2wbk s VAL 228 Cb -0.16 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2wbk s VAL 228 CO 0.01 -0.56 0.19 -0.60 0.00 0.00 0.00 175.10 174.14 2wbk s ARG 229 N 1.43 4.03 -0.22 2.72 3.52 -0.05 -4.92 118.95 125.45 2wbk s ARG 229 Ca 0.04 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.08 2wbk s ARG 229 Cb -0.24 -3.59 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 2wbk s ARG 229 CO 0.02 -0.04 1.06 -1.14 -0.81 0.00 0.00 175.30 174.39 2wbk s GLN 230 N 1.35 4.26 -0.05 5.12 0.74 -1.26 0.64 119.66 130.45 2wbk s GLN 230 Ca 0.08 1.39 -0.08 0.00 0.05 0.00 0.00 55.36 56.80 2wbk s GLN 230 Cb -0.14 -3.65 -0.29 0.00 1.10 0.00 0.00 33.01 30.03 2wbk s GLN 230 CO 0.07 -0.63 0.64 -0.07 -0.55 0.00 0.00 175.29 174.76 2wbk h LEU 231 N 9.42 0.51 -7.00 3.68 3.38 0.50 -3.47 115.31 122.34 2wbk h LEU 231 Ca -0.20 -0.83 0.06 0.00 0.09 0.00 0.00 57.88 57.00 2wbk h LEU 231 Cb 1.07 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 41.47 2wbk h LEU 231 CO 0.97 1.71 0.44 -0.94 0.09 0.00 0.00 178.44 180.71 2wbk s SER 232 N -7.14 -0.43 -0.05 -0.43 1.04 -1.02 -4.97 113.70 100.70 2wbk s SER 232 Ca -0.15 0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 2wbk s SER 232 Cb 0.06 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2wbk s SER 232 CO 0.84 -0.57 0.08 -0.22 0.98 0.00 0.00 173.24 174.35 2wbk s LEU 233 N -1.92 0.25 0.33 2.42 2.96 -1.26 -0.34 118.68 121.12 2wbk s LEU 233 Ca 0.00 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2wbk s LEU 233 Cb -0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 2wbk s LEU 233 CO -0.04 -0.23 0.13 0.42 -1.32 0.00 0.00 176.35 175.31 2wbk s THR 234 N 2.00 0.58 0.48 3.68 -4.23 0.09 -5.01 115.64 113.22 2wbk s THR 234 Ca 0.02 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.66 2wbk s THR 234 Cb -0.12 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.44 2wbk s THR 234 CO -0.04 0.00 2.10 0.44 -0.54 0.00 0.00 174.62 176.59 2wbk h ASP 235 N 2.11 0.16 0.58 3.99 3.32 -2.01 -3.06 116.42 121.51 2wbk h ASP 235 Ca -0.36 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.41 2wbk h ASP 235 Cb 1.25 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 2wbk h ASP 235 CO 0.57 0.13 -1.57 -0.33 -1.72 0.00 0.00 179.24 176.33 2wbk h GLU 236 N 0.18 0.01 -2.74 3.56 3.07 -1.94 -3.32 114.58 113.40 2wbk h GLU 236 Ca 0.05 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.76 2wbk h GLU 236 Cb 0.01 0.01 -0.24 0.00 -0.84 0.00 0.00 28.75 27.69 2wbk h GLU 236 CO -0.01 0.63 -0.25 1.21 -1.40 0.00 0.00 179.01 179.19 2wbk s ASN 237 N -6.26 -0.43 -0.16 1.42 2.47 -1.16 0.74 114.94 111.57 2wbk s ASN 237 Ca -0.04 0.82 -0.01 0.00 0.42 0.00 0.00 52.86 54.05 2wbk s ASN 237 Cb 0.08 0.81 -0.01 0.00 -1.45 0.00 0.00 41.25 40.68 2wbk s ASN 237 CO 0.82 -0.15 -0.11 0.00 -3.72 0.00 0.00 177.10 173.95 2wbk s ALA 238 N 0.41 2.67 -0.15 1.71 0.00 -0.22 -0.73 121.76 125.44 2wbk s ALA 238 Ca -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2wbk s ALA 238 Cb -0.04 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2wbk s ALA 238 CO -0.02 0.04 -0.08 1.03 0.00 0.00 0.00 175.76 176.74 2wbk s ARG 239 N 0.69 3.51 0.06 0.00 0.52 0.54 -0.93 118.95 123.35 2wbk s ARG 239 Ca -0.05 -0.60 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 2wbk s ARG 239 Cb -0.15 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2wbk s ARG 239 CO 0.02 0.17 -0.23 -0.51 0.02 0.00 0.00 175.30 174.77 2wbk s LEU 240 N 0.52 2.20 -0.25 2.53 2.01 0.25 0.11 118.68 126.06 2wbk s LEU 240 Ca -0.05 -0.59 -0.04 0.00 0.01 0.00 0.00 54.13 53.45 2wbk s LEU 240 Cb -0.15 -1.08 0.00 0.00 0.01 0.00 0.00 46.19 44.97 2wbk s LEU 240 CO 0.03 0.18 -0.01 -0.55 1.01 0.00 0.00 176.35 177.01 2wbk s SER 241 N -1.40 4.53 -0.33 2.29 0.15 0.21 -0.93 113.70 118.22 2wbk s SER 241 Ca 0.09 -0.58 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 2wbk s SER 241 Cb -0.09 -1.76 0.01 0.00 -1.71 0.00 0.00 66.02 62.46 2wbk s SER 241 CO 0.03 -0.09 0.89 0.20 1.20 0.00 0.00 173.24 175.46 2wbk s ASN 242 N 1.45 6.71 -0.24 5.45 0.01 0.90 -0.87 114.94 128.34 2wbk s ASN 242 Ca 0.04 0.68 0.02 0.00 -0.71 0.00 0.00 52.86 52.88 2wbk s ASN 242 Cb -0.16 -2.45 0.05 0.00 0.41 0.00 0.00 41.25 39.11 2wbk s ASN 242 CO -0.02 -0.75 -0.10 -1.61 -1.51 0.00 0.00 177.10 173.11 2wbk s GLU 243 N 3.27 2.06 -0.10 -0.60 2.02 0.48 -1.13 118.70 124.70 2wbk s GLU 243 Ca 0.36 -1.13 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 2wbk s GLU 243 Cb -0.13 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2wbk s GLU 243 CO 0.15 -0.54 -0.04 -0.51 0.02 0.00 0.00 175.26 174.35 2wbk s LEU 244 N 1.25 3.32 -0.25 1.80 1.43 0.13 -1.22 118.68 125.13 2wbk s LEU 244 Ca -0.06 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 2wbk s LEU 244 Cb -0.19 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2wbk s LEU 244 CO -0.06 0.30 0.08 -0.63 0.23 0.00 0.00 176.35 176.27 2wbk s ILE 245 N -0.43 4.37 -0.08 -0.59 1.01 -0.54 -0.92 121.20 124.01 2wbk s ILE 245 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.61 2wbk s ILE 245 Cb -0.12 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2wbk s ILE 245 CO 0.02 0.33 -0.21 -0.69 0.00 0.00 0.00 174.94 174.40 2wbk s VAL 246 N 1.62 1.77 -0.33 2.92 1.01 -0.56 -0.47 120.40 126.37 2wbk s VAL 246 Ca 0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2wbk s VAL 246 Cb -0.15 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.74 2wbk s VAL 246 CO 0.04 0.50 0.08 0.21 0.00 0.00 0.00 175.10 175.92 2wbk s ASN 247 N 0.33 5.14 -0.03 3.32 2.47 -0.38 0.75 114.94 126.53 2wbk s ASN 247 Ca -0.15 -1.31 -0.19 0.00 0.42 0.00 0.00 52.86 51.63 2wbk s ASN 247 Cb -0.16 -1.80 -0.05 0.00 -1.45 0.00 0.00 41.25 37.79 2wbk s ASN 247 CO 0.06 -0.33 0.55 -1.58 -3.72 0.00 0.00 177.10 172.08 2wbk s GLN 248 N 1.31 4.27 0.00 0.43 0.74 0.13 -2.41 119.66 124.14 2wbk s GLN 248 Ca -0.02 0.64 0.21 0.00 0.05 0.00 0.00 55.36 56.24 2wbk s GLN 248 Cb -0.20 -3.35 0.01 0.00 1.10 0.00 0.00 33.01 30.57 2wbk s GLN 248 CO 0.00 0.36 1.04 1.51 -0.55 0.00 0.00 175.29 177.65 2wbk n ILE 249 N 2.82 0.00 -4.02 -2.34 0.13 0.88 -1.16 119.36 115.66 2wbk n ILE 249 Ca -0.08 -0.30 -0.32 0.00 -1.10 0.00 0.00 62.75 60.96 2wbk n ILE 249 Cb 0.51 1.26 -0.06 0.00 -0.84 0.00 0.00 39.64 40.52 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 -2.27 4.86 0.18 9.51 -7.23 -1.24 -4.95 120.40 119.26 2wbk s VAL 250 Ca 0.18 -0.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 2wbk s VAL 250 Cb 0.17 -3.31 -0.09 0.00 0.56 0.00 0.00 36.38 33.70 2wbk s VAL 250 CO 0.50 0.21 1.45 1.55 -0.31 0.00 0.00 175.10 178.51 2wbk h PRO 251 N 3.53 0.42 -7.23 4.82 0.13 -1.97 -3.38 132.00 128.33 2wbk h PRO 251 Ca -0.47 -0.33 -0.50 0.00 -0.87 0.00 0.00 66.00 63.83 2wbk h PRO 251 Cb 1.17 0.06 0.08 0.00 0.13 0.00 0.00 31.00 32.45 2wbk h PRO 251 CO 0.67 0.96 0.37 1.14 -0.23 0.00 0.00 178.00 180.91 2wbk s GLN 252 N -3.69 3.03 0.23 0.86 0.00 -1.26 -4.59 119.66 114.24 2wbk s GLN 252 Ca -0.06 1.22 -0.30 0.00 -0.00 0.00 0.00 55.36 56.22 2wbk s GLN 252 Cb 0.11 -1.99 -0.09 0.00 0.00 0.00 0.00 33.01 31.04 2wbk s GLN 252 CO 0.84 -1.05 1.24 -1.59 0.00 0.00 0.00 175.29 174.73 2wbk s LYS 253 N -4.29 4.46 -0.19 9.60 0.00 -1.26 -4.60 119.74 123.46 2wbk s LYS 253 Ca 0.63 1.98 -0.01 0.00 0.00 0.00 0.00 55.97 58.57 2wbk s LYS 253 Cb -0.17 -3.19 0.00 0.00 0.00 0.00 0.00 37.83 34.47 2wbk s LYS 253 CO 0.42 -0.11 -0.11 0.42 0.00 0.00 0.00 175.35 175.97 2wbk s ILE 254 N -0.39 2.84 -0.22 3.79 -1.09 0.78 -4.94 121.20 121.99 2wbk s ILE 254 Ca 0.52 -0.68 -0.28 0.00 -2.23 0.00 0.00 60.65 57.98 2wbk s ILE 254 Cb -0.35 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 2wbk s ILE 254 CO 0.41 0.48 0.97 -2.16 -1.23 0.00 0.00 174.94 173.41 2wbk s PRO 255 N 1.22 4.26 0.16 2.79 0.04 -1.26 0.17 135.00 142.37 2wbk s PRO 255 Ca 0.02 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 2wbk s PRO 255 Cb -0.14 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 2wbk s PRO 255 CO -0.05 -0.55 0.23 0.00 0.04 0.00 0.00 177.00 176.67 2wbk s ALA 256 N 2.93 0.22 -0.11 8.56 0.00 0.12 -4.81 121.76 128.68 2wbk s ALA 256 Ca 0.42 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2wbk s ALA 256 Cb -0.15 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2wbk s ALA 256 CO 0.08 -0.61 -0.16 -2.00 0.00 0.00 0.00 175.76 173.07 2wbk s GLU 257 N -3.99 3.12 -0.32 0.00 2.12 0.02 0.11 118.70 119.76 2wbk s GLU 257 Ca 0.19 -0.74 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 2wbk s GLU 257 Cb 0.04 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 2wbk s GLU 257 CO 0.01 0.29 0.56 0.08 -0.54 0.00 0.00 175.26 175.66 2wbk s VAL 258 N 0.13 4.98 -0.08 3.70 1.01 -0.25 -0.75 120.40 129.15 2wbk s VAL 258 Ca -0.08 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2wbk s VAL 258 Cb -0.15 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2wbk s VAL 258 CO 0.05 -0.15 -0.13 -0.13 0.00 0.00 0.00 175.10 174.74 2wbk s ARG 259 N 2.49 2.81 -0.22 2.72 0.52 -0.55 -1.12 118.95 125.60 2wbk s ARG 259 Ca 0.22 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2wbk s ARG 259 Cb -0.15 -2.48 0.04 0.00 0.52 0.00 0.00 34.95 32.88 2wbk s ARG 259 CO 0.12 0.49 -0.15 0.08 0.02 0.00 0.00 175.30 175.87 2wbk s VAL 260 N -0.38 2.04 -0.17 3.52 1.01 -0.02 0.15 120.40 126.55 2wbk s VAL 260 Ca 0.04 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 2wbk s VAL 260 Cb -0.12 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2wbk s VAL 260 CO 0.02 0.25 0.24 0.21 0.00 0.00 0.00 175.10 175.83 2wbk s ASN 261 N 1.23 6.38 -0.14 3.32 3.84 0.55 -1.39 114.94 128.73 2wbk s ASN 261 Ca -0.02 0.44 0.00 0.00 0.21 0.00 0.00 52.86 53.49 2wbk s ASN 261 Cb -0.16 -2.15 -0.01 0.00 -0.55 0.00 0.00 41.25 38.38 2wbk s ASN 261 CO -0.09 0.14 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.53 2wbk s VAL 262 N 0.34 2.84 0.07 -5.21 1.01 0.11 -0.70 120.40 118.86 2wbk s VAL 262 Ca 0.14 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2wbk s VAL 262 Cb -0.12 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2wbk s VAL 262 CO 0.02 0.52 -0.06 -0.44 0.00 0.00 0.00 175.10 175.14 2wbk s SER 263 N 0.61 0.93 -0.15 3.32 0.01 -0.28 -0.20 113.70 117.94 2wbk s SER 263 Ca -0.08 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.32 2wbk s SER 263 Cb -0.16 0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.20 2wbk s SER 263 CO 0.03 -0.40 -0.05 -0.22 0.41 0.00 0.00 173.24 173.01 2wbk s LEU 264 N -2.54 1.41 -1.55 2.44 2.96 0.36 -0.93 118.68 120.83 2wbk s LEU 264 Ca 0.04 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 2wbk s LEU 264 Cb 0.01 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 45.94 2wbk s LEU 264 CO -0.04 -0.18 0.66 0.59 -1.32 0.00 0.00 176.35 176.06 2wbk n ASN 265 N 4.93 -2.24 0.00 3.68 3.02 -1.26 -2.06 115.26 121.33 2wbk n ASN 265 Ca -0.11 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2wbk n ASN 265 Cb 0.48 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 2wbk n ASN 265 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbk n GLY 266 N -1.69 0.75 3.24 7.41 0.00 -1.26 -5.05 105.19 108.59 2wbk n GLY 266 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.57 2.44 0.25 2.61 2.01 -0.87 -5.10 115.64 114.40 2wbk s THR 267 Ca 0.00 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 60.83 2wbk s THR 267 Cb 0.00 -2.00 -0.11 0.00 0.01 0.00 0.00 72.50 70.41 2wbk s THR 267 CO 0.00 0.53 1.56 -0.89 -0.69 0.00 0.00 174.62 175.13 2wbk s THR 268 N 0.67 2.35 -0.06 -0.82 2.01 -1.26 -0.48 115.64 118.04 2wbk s THR 268 Ca -0.09 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2wbk s THR 268 Cb -0.16 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 2wbk s THR 268 CO 0.02 0.04 -0.05 0.52 -0.69 0.00 0.00 174.62 174.46 2wbk n VAL 269 N 2.77 0.38 -3.78 3.82 0.31 0.72 -4.89 118.33 117.66 2wbk n VAL 269 Ca 0.10 -0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 2wbk n VAL 269 Cb 0.38 -0.75 -0.10 0.00 -0.91 0.00 0.00 33.84 32.47 2wbk n VAL 269 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2wbk s THR 270 N -2.13 0.04 -0.10 2.52 2.01 -0.72 -4.97 115.64 112.29 2wbk s THR 270 Ca -0.08 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 2wbk s THR 270 Cb 0.02 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 72.06 2wbk s THR 270 CO 0.16 -0.17 0.15 -0.70 -0.69 0.00 0.00 174.62 173.37 2wbk s GLU 271 N -0.75 0.04 0.05 4.92 2.12 -1.26 0.09 118.70 123.90 2wbk s GLU 271 Ca -0.08 0.48 0.08 0.00 0.36 0.00 0.00 54.97 55.80 2wbk s GLU 271 Cb -0.04 -0.47 -0.03 0.00 0.26 0.00 0.00 34.13 33.85 2wbk s GLU 271 CO 0.02 -0.36 -0.22 0.14 -0.54 0.00 0.00 175.26 174.30 2wbk s VAL 272 N 2.28 1.80 0.08 3.70 -7.23 -0.48 -5.01 120.40 115.53 2wbk s VAL 272 Ca 0.04 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 2wbk s VAL 272 Cb -0.13 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 2wbk s VAL 272 CO -0.06 0.23 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.30 2wbk s LYS 273 N -1.25 0.72 -0.11 4.82 -2.85 -1.26 -0.84 119.74 118.97 2wbk s LYS 273 Ca 0.09 -1.15 -0.05 0.00 -1.00 0.00 0.00 55.97 53.85 2wbk s LYS 273 Cb -0.09 -0.19 0.05 0.00 -2.06 0.00 0.00 37.83 35.54 2wbk s LYS 273 CO 0.02 -0.01 0.25 -1.14 0.10 0.00 0.00 175.35 174.57 2wbk s GLN 274 N -3.18 0.20 0.20 1.78 0.74 -0.27 -4.99 119.66 114.14 2wbk s GLN 274 Ca 0.05 0.56 -0.30 0.00 0.05 0.00 0.00 55.36 55.71 2wbk s GLN 274 Cb 0.01 -0.11 -0.08 0.00 1.10 0.00 0.00 33.01 33.93 2wbk s GLN 274 CO -0.04 -0.18 1.00 -0.65 -0.55 0.00 0.00 175.29 174.88 2wbk s GLN 275 N 1.39 4.73 0.01 1.67 -1.52 -1.26 -1.08 119.66 123.60 2wbk s GLN 275 Ca -0.08 1.58 -0.06 0.00 -1.95 0.00 0.00 55.36 54.84 2wbk s GLN 275 Cb -0.11 -3.29 -0.00 0.00 -0.22 0.00 0.00 33.01 29.39 2wbk s GLN 275 CO -0.09 0.30 0.12 0.14 -0.25 0.00 0.00 175.29 175.51 2wbk s VAL 276 N -0.67 0.10 -0.31 1.09 -7.23 0.30 -4.91 120.40 108.78 2wbk s VAL 276 Ca 0.45 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.76 2wbk s VAL 276 Cb -0.27 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.15 2wbk s VAL 276 CO 0.33 -0.45 0.05 -0.89 -0.31 0.00 0.00 175.10 173.84 2wbk s THR 277 N -1.74 3.49 -0.01 5.32 2.01 -1.26 0.13 115.64 123.58 2wbk s THR 277 Ca -0.12 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 2wbk s THR 277 Cb -0.06 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 2wbk s THR 277 CO -0.00 -0.06 1.03 -0.76 -0.69 0.00 0.00 174.62 174.14 2wbk s LEU 278 N 1.37 4.34 0.15 4.42 1.43 0.44 -4.84 118.68 126.00 2wbk s LEU 278 Ca -0.02 1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 54.78 2wbk s LEU 278 Cb -0.19 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2wbk s LEU 278 CO 0.01 -0.34 0.33 -1.10 0.23 0.00 0.00 176.35 175.48 2wbk s GLN 279 N 1.25 3.51 0.50 1.70 -0.21 -1.26 -0.15 119.66 125.00 2wbk s GLN 279 Ca 0.53 -0.34 -0.23 0.00 0.02 0.00 0.00 55.36 55.34 2wbk s GLN 279 Cb -0.22 -2.90 -0.08 0.00 1.00 0.00 0.00 33.01 30.81 2wbk s GLN 279 CO 0.26 0.48 1.16 -0.35 -2.12 0.00 0.00 175.29 174.72 2wbk n PRO 280 N -0.28 1.50 0.00 2.91 -0.04 -1.26 -4.44 135.00 133.39 2wbk n PRO 280 Ca -0.05 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2wbk n PRO 280 Cb 0.53 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 2wbk n PRO 280 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wbk n GLY 281 N 0.99 0.37 3.71 0.55 0.00 -0.31 -4.85 105.19 105.64 2wbk n GLY 281 Ca 0.10 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 5.09 -0.06 -0.61 -1.09 -1.26 0.22 121.20 123.49 2wbk s ILE 282 Ca 0.00 1.24 0.06 0.00 -2.23 0.00 0.00 60.65 59.72 2wbk s ILE 282 Cb 0.00 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2wbk s ILE 282 CO 0.00 0.26 -0.25 0.20 -1.23 0.00 0.00 174.94 173.92 2wbk s ASN 283 N 0.80 3.02 -0.18 3.58 0.01 0.23 -4.92 114.94 117.47 2wbk s ASN 283 Ca 0.32 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.93 2wbk s ASN 283 Cb -0.16 -0.85 -0.02 0.00 0.41 0.00 0.00 41.25 40.62 2wbk s ASN 283 CO 0.14 0.24 -0.03 -1.00 -1.51 0.00 0.00 177.10 174.93 2wbk s HIS 284 N -0.13 2.99 -0.04 2.20 3.76 -1.26 -1.49 115.29 121.32 2wbk s HIS 284 Ca -0.04 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 2wbk s HIS 284 Cb -0.14 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.56 2wbk s HIS 284 CO 0.04 -0.22 -0.02 0.42 -0.85 0.00 0.00 174.74 174.11 2wbk s ILE 285 N 0.79 0.33 -0.17 0.60 1.01 -0.10 -5.01 121.20 118.66 2wbk s ILE 285 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2wbk s ILE 285 Cb -0.14 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 41.94 2wbk s ILE 285 CO 0.02 0.18 -0.17 -0.89 0.00 0.00 0.00 174.94 174.08 2wbk s THR 286 N 1.01 1.81 -0.16 2.92 2.01 -1.26 0.17 115.64 122.14 2wbk s THR 286 Ca -0.10 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.12 2wbk s THR 286 Cb -0.14 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.71 2wbk s THR 286 CO -0.01 0.49 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.46 2wbk s LEU 287 N 1.39 2.27 0.40 4.42 1.02 -0.28 -4.97 118.68 122.93 2wbk s LEU 287 Ca 0.05 -0.56 -0.24 0.00 0.02 0.00 0.00 54.13 53.39 2wbk s LEU 287 Cb -0.13 -1.51 -0.09 0.00 0.02 0.00 0.00 46.19 44.49 2wbk s LEU 287 CO -0.12 0.05 1.09 -2.16 0.02 0.00 0.00 176.35 175.23 2wbk s PRO 288 N 0.98 4.12 0.04 1.29 0.05 -1.26 -0.07 135.00 140.15 2wbk s PRO 288 Ca -0.03 1.62 0.00 0.00 0.05 0.00 0.00 61.00 62.65 2wbk s PRO 288 Cb -0.15 -2.59 -0.03 0.00 0.05 0.00 0.00 34.50 31.79 2wbk s PRO 288 CO -0.04 -0.20 -0.04 0.00 0.05 0.00 0.00 177.00 176.76 2wbk s ALA 289 N -1.57 0.34 -0.01 8.56 0.00 -0.10 -4.89 121.76 124.08 2wbk s ALA 289 Ca 0.58 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.80 2wbk s ALA 289 Cb -0.25 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2wbk s ALA 289 CO 0.31 -0.18 -0.20 -1.21 0.00 0.00 0.00 175.76 174.49 2wbk s GLU 290 N -2.13 1.55 -0.27 0.00 2.02 -1.26 -0.58 118.70 118.02 2wbk s GLU 290 Ca -0.08 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2wbk s GLU 290 Cb -0.05 -1.52 0.06 0.00 0.10 0.00 0.00 34.13 32.72 2wbk s GLU 290 CO -0.03 0.41 -0.08 0.08 0.02 0.00 0.00 175.26 175.67 2wbk s VAL 291 N -0.50 2.44 0.37 2.63 1.01 -0.10 -4.83 120.40 121.42 2wbk s VAL 291 Ca 0.07 -1.53 -0.25 0.00 0.00 0.00 0.00 61.98 60.27 2wbk s VAL 291 Cb -0.08 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 2wbk s VAL 291 CO -0.00 -0.04 1.02 0.42 0.00 0.00 0.00 175.10 176.50 2wbk s THR 292 N 1.16 3.84 -1.31 3.92 -4.23 -1.26 -1.05 115.64 116.71 2wbk s THR 292 Ca -0.07 1.47 -0.17 0.00 -1.18 0.00 0.00 61.69 61.74 2wbk s THR 292 Cb -0.20 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 69.86 2wbk s THR 292 CO -0.04 0.07 0.51 0.59 -0.54 0.00 0.00 174.62 175.21 2wbk n ASN 293 N 0.20 -2.52 -4.71 3.99 4.13 0.23 -4.83 115.26 111.74 2wbk n ASN 293 Ca 0.04 -1.17 -0.43 0.00 1.68 0.00 0.00 54.58 54.70 2wbk n ASN 293 Cb 0.49 -2.35 -0.02 0.00 -1.54 0.00 0.00 39.78 36.36 2wbk n ASN 293 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2wbk n PRO 294 N -4.62 2.50 -2.90 3.52 -0.04 -1.25 -4.96 135.00 127.25 2wbk n PRO 294 Ca -0.20 0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 2wbk n PRO 294 Cb 0.62 -2.65 -0.05 0.00 -0.04 0.00 0.00 33.50 31.39 2wbk n PRO 294 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wbk s VAL 295 N 0.26 4.67 0.44 0.52 1.01 -1.26 -4.98 120.40 121.07 2wbk s VAL 295 Ca 0.68 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 63.43 2wbk s VAL 295 Cb -0.55 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.47 2wbk s VAL 295 CO 0.45 -0.49 1.03 -0.13 0.00 0.00 0.00 175.10 175.95 2wbk s ARG 296 N 3.27 4.01 -0.05 2.72 0.52 -1.26 -4.59 118.95 123.56 2wbk s ARG 296 Ca 0.34 1.37 -0.28 0.00 -0.52 0.00 0.00 55.73 56.65 2wbk s ARG 296 Cb -0.13 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2wbk s ARG 296 CO 0.18 -0.26 0.90 -0.46 0.02 0.00 0.00 175.30 175.68 2wbk s TRP 297 N -1.89 3.59 0.11 -0.53 -0.00 0.47 -4.12 118.94 116.57 2wbk s TRP 297 Ca 0.63 1.52 0.09 0.00 -0.00 0.00 0.00 56.10 58.34 2wbk s TRP 297 Cb -0.17 -3.04 -0.04 0.00 -0.00 0.00 0.00 33.47 30.22 2wbk s TRP 297 CO 0.21 -0.04 -0.19 -1.64 -0.00 0.00 0.00 176.95 175.29 2wbk s MET 298 N 1.22 1.76 0.66 5.86 -1.94 -0.94 -4.66 119.30 121.26 2wbk s MET 298 Ca 0.46 -1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 53.15 2wbk s MET 298 Cb -0.19 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.55 2wbk s MET 298 CO 0.22 0.48 1.05 -1.25 -0.01 0.00 0.00 175.02 175.52 2wbk s PRO 299 N -2.03 3.23 0.17 2.03 0.04 -1.26 -3.51 135.00 133.67 2wbk s PRO 299 Ca 0.17 0.78 -0.32 0.00 0.04 0.00 0.00 61.00 61.67 2wbk s PRO 299 Cb -0.10 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 2wbk s PRO 299 CO 0.09 -0.84 1.77 -1.71 0.04 0.00 0.00 177.00 176.34 2wbk n ASN 300 N -2.93 3.98 0.00 6.66 5.15 -0.03 -0.87 115.26 127.22 2wbk n ASN 300 Ca 0.07 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 2wbk n ASN 300 Cb 0.54 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 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 4.06 2.22 0.85 8.20 0.00 -1.26 -4.70 105.19 114.56 2wbk n GLY 301 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.02 0.63 0.00 1.61 8.01 -0.05 -4.87 117.44 122.74 2wbk n TRP 302 Ca 0.00 -0.51 0.00 0.00 -1.31 0.00 0.00 57.50 55.68 2wbk n TRP 302 Cb 0.00 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.27 2wbk n TRP 302 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wbk n GLY 303 N 0.80 0.74 3.74 6.99 0.00 -1.24 -4.84 105.19 111.38 2wbk n GLY 303 Ca 0.15 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2wbk n GLY 303 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wbk s THR 304 N -1.48 4.32 -1.48 2.61 2.01 -1.26 -4.73 115.64 115.62 2wbk s THR 304 Ca 0.00 2.05 -0.12 0.00 0.31 0.00 0.00 61.69 63.93 2wbk s THR 304 Cb 0.00 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.22 2wbk s THR 304 CO 0.00 0.37 2.42 -0.81 -0.69 0.00 0.00 174.62 175.91 2wbk n PRO 305 N 2.33 3.28 -1.67 4.92 -0.04 -1.23 -2.20 135.00 140.39 2wbk n PRO 305 Ca 0.01 -2.63 -0.46 0.00 -0.04 0.00 0.00 63.50 60.38 2wbk n PRO 305 Cb 0.48 -3.07 -0.04 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.27 0.02 -4.70 0.52 -1.04 -1.26 -4.74 114.28 107.36 2wbk n THR 306 Ca 0.59 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 62.35 2wbk n THR 306 Cb 0.33 -1.58 -0.16 0.00 -1.82 0.00 0.00 70.33 67.10 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 1.04 1.79 0.30 -4.42 1.43 -1.26 -4.24 118.68 113.31 2wbk s LEU 307 Ca 0.79 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2wbk s LEU 307 Cb -0.67 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2wbk s LEU 307 CO 0.38 0.09 0.53 -0.31 0.23 0.00 0.00 176.35 177.27 2wbk s TYR 308 N 0.34 3.49 -0.34 0.29 2.02 0.83 -4.61 117.35 119.37 2wbk s TYR 308 Ca -0.09 0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.98 2wbk s TYR 308 Cb -0.13 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 2wbk s TYR 308 CO 0.03 0.18 0.21 -0.51 -1.57 0.00 0.00 175.55 173.89 2wbk s ASP 309 N -3.48 5.87 -0.25 2.29 1.01 -0.11 -0.22 116.67 121.79 2wbk s ASP 309 Ca 0.42 -0.54 -0.09 0.00 0.71 0.00 0.00 52.55 53.05 2wbk s ASP 309 Cb -0.10 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 2wbk s ASP 309 CO 0.32 -0.25 0.12 -0.36 0.21 0.00 0.00 175.17 175.21 2wbk s PHE 310 N 1.67 3.17 -0.16 4.23 0.40 -0.15 -1.13 117.98 126.01 2wbk s PHE 310 Ca 0.05 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 2wbk s PHE 310 Cb -0.18 -2.27 0.02 0.00 0.51 0.00 0.00 43.02 41.10 2wbk s PHE 310 CO 0.09 -0.20 -0.21 0.45 0.70 0.00 0.00 175.22 176.06 2wbk s SER 311 N 1.47 3.09 -0.19 1.36 0.15 0.12 -1.26 113.70 118.44 2wbk s SER 311 Ca 0.06 -0.62 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 2wbk s SER 311 Cb -0.15 -1.45 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 2wbk s SER 311 CO 0.06 0.03 0.08 0.00 1.20 0.00 0.00 173.24 174.61 2wbk s ALA 312 N 1.08 3.49 0.03 5.45 0.00 -0.17 -0.33 121.76 131.31 2wbk s ALA 312 Ca -0.00 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2wbk s ALA 312 Cb -0.14 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 2wbk s ALA 312 CO -0.08 0.17 -0.19 -0.65 0.00 0.00 0.00 175.76 175.02 2wbk s GLN 313 N 0.37 1.31 -0.34 0.00 -0.21 0.12 -1.13 119.66 119.78 2wbk s GLN 313 Ca 0.04 -0.83 -0.11 0.00 0.02 0.00 0.00 55.36 54.49 2wbk s GLN 313 Cb -0.12 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.53 2wbk s GLN 313 CO -0.00 0.35 0.19 0.42 -2.12 0.00 0.00 175.29 174.12 2wbk s ILE 314 N -0.72 4.71 -0.08 1.08 -1.09 0.51 -1.49 121.20 124.13 2wbk s ILE 314 Ca 0.06 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 57.99 2wbk s ILE 314 Cb -0.08 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 2wbk s ILE 314 CO 0.01 -0.05 -0.24 0.00 -1.23 0.00 0.00 174.94 173.43 2wbk s ALA 315 N 1.61 2.13 -0.85 9.38 0.00 0.07 -1.77 121.76 132.34 2wbk s ALA 315 Ca 0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2wbk s ALA 315 Cb -0.18 -0.72 0.21 0.00 0.00 0.00 0.00 23.12 22.43 2wbk s ALA 315 CO 0.07 0.35 0.71 0.00 0.00 0.00 0.00 175.76 176.89 2wbk n GLY 317 N 2.34 2.34 0.12 0.00 0.00 -1.26 -3.23 105.19 105.50 2wbk n GLY 317 Ca 0.20 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.13 2wbk n GLY 317 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wbk h ASP 318 N 0.00 0.00 -2.71 1.61 3.58 -2.01 -3.46 116.42 113.43 2wbk h ASP 318 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 2wbk h ASP 318 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2wbk h ASP 318 CO 0.00 0.12 1.23 -0.60 -2.88 0.00 0.00 179.24 177.11 2wbk s ARG 319 N -3.26 3.27 -0.72 0.28 3.52 -1.20 -4.94 118.95 115.91 2wbk s ARG 319 Ca -0.00 1.11 -0.18 0.00 -0.13 0.00 0.00 55.73 56.53 2wbk s ARG 319 Cb 0.09 -4.18 0.14 0.00 -1.56 0.00 0.00 34.95 29.44 2wbk s ARG 319 CO 0.78 -1.94 0.80 0.42 -0.81 0.00 0.00 175.30 174.56 2wbk s ILE 320 N 6.85 5.01 0.27 4.11 -1.09 -1.26 -0.86 121.20 134.22 2wbk s ILE 320 Ca 0.71 -1.51 0.03 0.00 -2.23 0.00 0.00 60.65 57.65 2wbk s ILE 320 Cb -0.18 -4.54 0.03 0.00 -1.58 0.00 0.00 42.46 36.18 2wbk s ILE 320 CO 0.31 -1.18 1.66 -0.37 -1.23 0.00 0.00 174.94 174.13 2wbk h VAL 321 N 5.62 1.30 -3.28 2.92 -1.51 -1.68 0.18 116.25 119.80 2wbk h VAL 321 Ca -0.10 -1.51 -0.15 0.00 -1.23 0.00 0.00 66.70 63.71 2wbk h VAL 321 Cb 1.06 1.60 -0.22 0.00 -2.13 0.00 0.00 31.29 31.59 2wbk h VAL 321 CO 1.01 0.46 -0.43 0.00 -1.23 0.00 0.00 177.57 177.39 2wbk s ALA 322 N -4.22 -0.52 -0.04 5.19 0.00 -1.21 -4.24 121.76 116.71 2wbk s ALA 322 Ca -0.06 0.26 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 2wbk s ALA 322 Cb 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2wbk s ALA 322 CO 0.79 -0.18 0.22 -2.00 0.00 0.00 0.00 175.76 174.59 2wbk s GLU 323 N -0.80 0.42 -0.15 0.00 -6.30 -1.26 -0.37 118.70 110.24 2wbk s GLU 323 Ca -0.09 -0.01 -0.12 0.00 -2.50 0.00 0.00 54.97 52.26 2wbk s GLU 323 Cb -0.05 0.19 0.04 0.00 0.00 0.00 0.00 34.13 34.31 2wbk s GLU 323 CO 0.02 -0.09 0.38 -1.14 0.02 0.00 0.00 175.26 174.45 2wbk s GLN 324 N -0.64 0.42 0.15 4.30 2.00 -0.28 -2.62 119.66 122.99 2wbk s GLN 324 Ca -0.07 0.57 0.10 0.00 -2.00 0.00 0.00 55.36 53.96 2wbk s GLN 324 Cb -0.04 0.16 -0.04 0.00 0.80 0.00 0.00 33.01 33.88 2wbk s GLN 324 CO 0.01 -0.08 -0.24 -1.12 -0.50 0.00 0.00 175.29 173.37 2wbk s SER 325 N 0.47 3.13 0.04 6.67 0.01 -1.26 -1.00 113.70 121.76 2wbk s SER 325 Ca -0.02 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.46 2wbk s SER 325 Cb -0.04 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2wbk s SER 325 CO -0.02 0.10 -0.08 -1.00 0.41 0.00 0.00 173.24 172.65 2wbk s HIS 326 N -1.46 0.70 -0.05 2.43 3.76 -0.39 -5.00 115.29 115.29 2wbk s HIS 326 Ca 0.16 -0.46 -0.25 0.00 -0.15 0.00 0.00 55.06 54.35 2wbk s HIS 326 Cb -0.09 -0.42 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 2wbk s HIS 326 CO 0.07 -0.06 0.78 1.03 -0.85 0.00 0.00 174.74 175.71 2wbk s ARG 327 N -1.46 4.47 -0.04 1.40 0.52 -1.26 -0.98 118.95 121.60 2wbk s ARG 327 Ca -0.08 1.04 0.05 0.00 -0.52 0.00 0.00 55.73 56.21 2wbk s ARG 327 Cb -0.09 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 31.92 2wbk s ARG 327 CO 0.01 0.03 -0.18 0.42 0.02 0.00 0.00 175.30 175.59 2wbk s ILE 328 N 0.88 1.51 -0.10 1.52 -1.09 0.70 -4.72 121.20 119.89 2wbk s ILE 328 Ca 0.42 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 58.06 2wbk s ILE 328 Cb -0.19 -1.29 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 2wbk s ILE 328 CO 0.21 0.43 -0.03 -0.83 -1.23 0.00 0.00 174.94 173.49 2wbk s GLY 329 N -0.02 1.78 -0.40 6.18 0.00 -1.26 -0.12 107.32 113.47 2wbk s GLY 329 Ca -0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 44.72 43.68 2wbk s GLY 329 CO 0.02 -0.47 0.48 1.08 0.00 0.00 0.00 173.10 174.21 2wbk s LEU 330 N -0.56 4.65 0.17 0.66 1.43 -1.26 -4.76 118.68 119.01 2wbk s LEU 330 Ca 0.09 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 2wbk s LEU 330 Cb -0.12 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.68 2wbk s LEU 330 CO 0.02 -0.56 0.80 0.00 0.23 0.00 0.00 176.35 176.83 2wbk s ARG 331 N 2.29 1.35 -0.09 1.70 3.03 -1.26 -0.39 118.95 125.57 2wbk s ARG 331 Ca 0.15 -0.68 0.02 0.00 2.03 0.00 0.00 55.73 57.25 2wbk s ARG 331 Cb -0.16 0.51 -0.02 0.00 -1.03 0.00 0.00 34.95 34.25 2wbk s ARG 331 CO 0.14 -0.61 -0.13 0.95 -1.13 0.00 0.00 175.30 174.52 2wbk s THR 332 N -3.57 3.08 -0.18 4.99 -4.23 -1.26 -4.96 115.64 109.52 2wbk s THR 332 Ca 0.08 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 2wbk s THR 332 Cb -0.03 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.57 2wbk s THR 332 CO -0.01 0.56 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.82 2wbk s ILE 333 N -0.19 2.29 -0.18 2.99 1.01 -1.26 -0.23 121.20 125.63 2wbk s ILE 333 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 2wbk s ILE 333 Cb -0.13 -1.97 0.05 0.00 0.01 0.00 0.00 42.46 40.41 2wbk s ILE 333 CO 0.03 0.52 -0.05 -0.60 0.00 0.00 0.00 174.94 174.84 2wbk s ARG 334 N 1.24 1.45 -0.09 2.79 3.52 -0.29 -4.93 118.95 122.65 2wbk s ARG 334 Ca 0.03 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 2wbk s ARG 334 Cb -0.14 -2.14 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2wbk s ARG 334 CO -0.10 -0.48 0.96 0.08 -0.81 0.00 0.00 175.30 174.96 2wbk s VAL 335 N 1.59 4.83 -0.29 7.11 1.01 -1.26 -0.66 120.40 132.73 2wbk s VAL 335 Ca -0.01 1.96 -0.07 0.00 0.00 0.00 0.00 61.98 63.86 2wbk s VAL 335 Cb -0.16 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 2wbk s VAL 335 CO -0.07 0.06 0.09 -0.69 0.00 0.00 0.00 175.10 174.48 2wbk s VAL 336 N 1.74 4.15 -0.46 2.92 1.01 0.10 -4.96 120.40 124.90 2wbk s VAL 336 Ca 0.47 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2wbk s VAL 336 Cb -0.19 -3.08 0.16 0.00 0.00 0.00 0.00 36.38 33.27 2wbk s VAL 336 CO 0.19 0.14 0.32 0.21 0.00 0.00 0.00 175.10 175.97 2wbk s ASN 337 N 1.55 2.81 0.10 3.32 3.04 -1.26 -1.90 114.94 122.60 2wbk s ASN 337 Ca 0.04 -2.95 0.03 0.00 0.04 0.00 0.00 52.86 50.01 2wbk s ASN 337 Cb -0.17 -0.78 -0.04 0.00 -1.54 0.00 0.00 41.25 38.72 2wbk s ASN 337 CO 0.03 -0.20 -0.09 -1.61 -3.04 0.00 0.00 177.10 172.20 2wbk s GLU 338 N 0.03 0.84 0.19 0.43 2.02 -1.25 -4.81 118.70 116.15 2wbk s GLU 338 Ca 0.25 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 2wbk s GLU 338 Cb -0.09 -0.40 -0.08 0.00 0.10 0.00 0.00 34.13 33.66 2wbk s GLU 338 CO -0.11 0.04 1.26 0.15 0.02 0.00 0.00 175.26 176.63 2wbk s LYS 339 N -3.17 4.43 0.35 1.61 1.02 -1.26 -0.12 119.74 122.61 2wbk s LYS 339 Ca 0.08 1.98 -0.03 0.00 0.02 0.00 0.00 55.97 58.01 2wbk s LYS 339 Cb 0.00 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2wbk s LYS 339 CO -0.02 -0.19 0.51 0.16 -0.92 0.00 0.00 175.35 174.89 2wbk s ASP 340 N 0.27 0.88 0.43 2.83 1.47 0.49 -4.90 116.67 118.14 2wbk s ASP 340 Ca 0.55 -1.47 0.27 0.00 1.18 0.00 0.00 52.55 53.08 2wbk s ASP 340 Cb -0.35 0.69 1.49 0.00 -0.34 0.00 0.00 42.92 44.41 2wbk s ASP 340 CO 0.38 -1.34 1.83 0.07 0.68 0.00 0.00 175.17 176.79 2wbk h LYS 341 N 2.09 0.00 -0.00 2.11 2.10 -2.01 0.48 116.57 121.34 2wbk h LYS 341 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2wbk h LYS 341 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2wbk h LYS 341 CO 0.39 0.00 -0.91 -0.25 -2.00 0.00 0.00 179.45 176.68 2wbk n ASP 342 N -2.48 0.97 0.00 7.07 8.00 -1.26 -5.06 116.55 123.78 2wbk n ASP 342 Ca -0.02 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2wbk n ASP 342 Cb 0.08 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 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 1.46 0.87 2.85 0.44 0.00 0.16 -4.57 105.19 106.40 2wbk n GLY 343 Ca 0.04 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 0.93 1.06 1.61 2.02 -0.60 -0.38 118.70 123.34 2wbk s GLU 344 Ca 0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.77 2wbk s GLU 344 Cb 0.00 -1.08 0.22 0.00 0.10 0.00 0.00 34.13 33.37 2wbk s GLU 344 CO 0.00 -0.20 1.12 -1.54 0.02 0.00 0.00 175.26 174.66 2wbk s SER 345 N 1.49 2.15 -0.43 -0.19 1.04 0.83 -0.58 113.70 118.02 2wbk s SER 345 Ca -0.01 0.86 0.02 0.00 0.48 0.00 0.00 55.95 57.29 2wbk s SER 345 Cb -0.13 -1.30 0.19 0.00 0.10 0.00 0.00 66.02 64.88 2wbk s SER 345 CO -0.04 -3.39 0.84 0.12 0.98 0.00 0.00 173.24 171.76 2wbk s PHE 346 N -3.11 -1.16 0.16 5.02 5.36 -1.14 -3.91 117.98 119.20 2wbk s PHE 346 Ca 0.68 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 56.39 2wbk s PHE 346 Cb -0.13 0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 2wbk s PHE 346 CO 0.56 -0.87 0.24 1.52 -1.46 0.00 0.00 175.22 175.22 2wbk s TYR 347 N 1.27 0.48 -0.19 10.12 -0.85 -0.80 -4.55 117.35 122.84 2wbk s TYR 347 Ca 0.23 -0.85 -0.07 0.00 -0.52 0.00 0.00 57.07 55.87 2wbk s TYR 347 Cb 0.03 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 2wbk s TYR 347 CO -0.08 -0.69 0.05 -0.06 -1.52 0.00 0.00 175.55 173.25 2wbk s PHE 348 N -3.98 3.18 -0.31 -3.49 0.08 -1.26 0.01 117.98 112.21 2wbk s PHE 348 Ca 0.19 -0.08 -0.09 0.00 0.12 0.00 0.00 56.93 57.06 2wbk s PHE 348 Cb 0.04 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2wbk s PHE 348 CO 0.00 0.03 0.15 -2.00 -0.10 0.00 0.00 175.22 173.30 2wbk s GLU 349 N 0.60 3.31 -0.20 0.44 2.12 0.17 -0.56 118.70 124.58 2wbk s GLU 349 Ca 0.02 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.61 2wbk s GLU 349 Cb -0.13 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2wbk s GLU 349 CO 0.02 -0.42 -0.13 0.08 -0.54 0.00 0.00 175.26 174.26 2wbk s VAL 350 N 1.61 2.61 -1.41 3.70 1.01 0.91 -1.14 120.40 127.70 2wbk s VAL 350 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2wbk s VAL 350 Cb -0.17 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2wbk s VAL 350 CO 0.06 0.49 0.39 0.59 0.00 0.00 0.00 175.10 176.63 2wbk n ASN 351 N 4.69 -0.42 0.00 3.32 3.02 0.68 -1.41 115.26 125.15 2wbk n ASN 351 Ca -0.20 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 2wbk n ASN 351 Cb 0.50 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.78 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 -2.04 1.18 3.39 7.41 0.00 -1.26 -4.99 105.19 108.88 2wbk n GLY 352 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.21 3.11 0.12 -0.61 -1.09 -0.50 -5.07 121.20 113.95 2wbk s ILE 353 Ca 0.00 -0.65 -0.31 0.00 -2.23 0.00 0.00 60.65 57.46 2wbk s ILE 353 Cb 0.00 -2.30 -0.09 0.00 -1.58 0.00 0.00 42.46 38.49 2wbk s ILE 353 CO 0.00 0.53 1.57 -2.84 -1.23 0.00 0.00 174.94 172.97 2wbk s PRO 354 N 0.21 4.22 -0.30 2.79 0.02 -1.26 -0.06 135.00 140.62 2wbk s PRO 354 Ca -0.08 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.25 2wbk s PRO 354 Cb -0.15 -3.34 0.07 0.00 0.02 0.00 0.00 34.50 31.10 2wbk s PRO 354 CO 0.05 -0.63 -0.02 1.41 -0.33 0.00 0.00 177.00 177.48 2wbk s MET 355 N 1.72 2.17 0.07 5.54 1.75 0.28 -4.90 119.30 125.93 2wbk s MET 355 Ca 0.71 -1.44 -0.33 0.00 -1.25 0.00 0.00 55.69 53.38 2wbk s MET 355 Cb -0.41 -3.11 -0.12 0.00 2.84 0.00 0.00 34.83 34.04 2wbk s MET 355 CO 0.31 -0.69 1.80 0.34 -0.65 0.00 0.00 175.02 176.13 2wbk n PHE 356 N 4.49 2.46 -2.91 4.11 7.35 -1.26 -4.30 117.46 127.39 2wbk n PHE 356 Ca -0.10 -0.03 -0.40 0.00 -0.76 0.00 0.00 57.45 56.16 2wbk n PHE 356 Cb 0.42 -2.67 -0.05 0.00 0.35 0.00 0.00 39.48 37.53 2wbk n PHE 356 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wbk s ALA 357 N 2.77 3.33 -0.10 3.13 0.00 -0.58 -4.96 121.76 125.36 2wbk s ALA 357 Ca 0.85 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 2wbk s ALA 357 Cb -0.58 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 19.50 2wbk s ALA 357 CO 0.42 0.04 0.01 0.15 0.00 0.00 0.00 175.76 176.38 2wbk s LYS 358 N -0.05 0.58 0.00 0.00 1.02 -1.26 -0.62 119.74 119.41 2wbk s LYS 358 Ca 0.41 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.38 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 0.25 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 2wbk n GLY 359 N 5.13 0.87 3.28 -3.33 0.00 -0.49 -0.23 105.19 110.42 2wbk n GLY 359 Ca -0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.36 -0.14 4.61 0.00 -1.18 -2.42 121.76 121.27 2wbk s ALA 360 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 2wbk s ALA 360 Cb 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2wbk s ALA 360 CO 0.00 -0.59 0.97 -0.80 0.00 0.00 0.00 175.76 175.34 2wbk s ASN 361 N -2.88 7.16 -0.04 0.00 0.01 0.45 -2.01 114.94 117.63 2wbk s ASN 361 Ca 0.08 1.42 -0.11 0.00 -0.71 0.00 0.00 52.86 53.54 2wbk s ASN 361 Cb 0.03 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 2wbk s ASN 361 CO -0.08 -0.46 0.29 -0.47 -1.51 0.00 0.00 177.10 174.87 2wbk s TYR 362 N 2.18 3.66 0.46 2.20 5.04 0.40 -0.54 117.35 130.75 2wbk s TYR 362 Ca 0.45 0.76 0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2wbk s TYR 362 Cb -0.17 -2.12 -0.04 0.00 0.35 0.00 0.00 41.96 39.98 2wbk s TYR 362 CO 0.15 0.67 0.07 0.96 -1.34 0.00 0.00 175.55 176.06 2wbk s ILE 363 N -1.10 1.68 0.55 3.14 -4.36 -1.26 -2.41 121.20 117.43 2wbk s ILE 363 Ca 0.21 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.48 2wbk s ILE 363 Cb -0.14 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 40.93 2wbk s ILE 363 CO 0.10 0.00 1.30 -2.65 0.24 0.00 0.00 174.94 173.93 2wbk n PRO 364 N -1.20 1.56 0.02 0.37 -0.02 -1.26 -4.89 135.00 129.58 2wbk n PRO 364 Ca -0.10 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 2wbk n PRO 364 Cb 0.66 -2.51 0.56 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.02 0.05 -3.64 -0.52 6.02 -1.26 -3.67 117.38 113.34 2wbk n GLN 365 Ca 0.11 0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 57.00 2wbk n GLN 365 Cb 0.45 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 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 -3.29 -0.36 0.55 1.08 -1.08 -1.26 -4.30 116.67 108.01 2wbk s ASP 366 Ca 0.13 0.16 0.25 0.00 -0.52 0.00 0.00 52.55 52.57 2wbk s ASP 366 Cb 0.18 0.44 1.49 0.00 -1.46 0.00 0.00 42.92 43.57 2wbk s ASP 366 CO 0.55 -0.63 2.09 0.00 0.52 0.00 0.00 175.17 177.69 2wbk h ALA 367 N 3.10 2.05 -3.62 3.66 0.00 -1.71 -3.39 119.26 119.35 2wbk h ALA 367 Ca -0.30 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.94 2wbk h ALA 367 Cb 1.19 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 2wbk h ALA 367 CO 0.42 -0.32 -0.70 -0.51 0.00 0.00 0.00 179.25 178.14 2wbk s LEU 368 N -8.31 4.69 0.28 0.00 1.43 -1.26 -4.95 118.68 110.56 2wbk s LEU 368 Ca -0.05 -2.32 -0.03 0.00 -1.03 0.00 0.00 54.13 50.69 2wbk s LEU 368 Cb 0.17 -1.63 0.38 0.00 0.03 0.00 0.00 46.19 45.13 2wbk s LEU 368 CO 0.63 -0.35 1.94 -0.07 0.23 0.00 0.00 176.35 178.73 2wbk h LEU 369 N 7.40 1.04 0.00 1.79 3.38 -1.96 -1.11 115.31 125.85 2wbk h LEU 369 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2wbk h LEU 369 Cb 1.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2wbk h LEU 369 CO 0.55 0.74 0.00 -2.65 0.09 0.00 0.00 178.44 177.17 2wbk n PRO 370 N -4.41 0.16 0.19 1.13 -0.02 -1.26 -2.50 135.00 128.28 2wbk n PRO 370 Ca 0.11 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2wbk n PRO 370 Cb 0.05 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.40 2wbk n PRO 370 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2wbk h ASN 371 N 0.00 0.00 -3.02 2.55 2.35 -1.58 -3.43 115.58 112.45 2wbk h ASN 371 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2wbk h ASN 371 Cb 0.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 2wbk h ASN 371 CO 0.00 0.00 1.00 -0.69 -1.65 0.00 0.00 177.43 176.09 2wbk s VAL 372 N -3.28 4.04 0.62 2.81 1.01 -1.04 -4.99 120.40 119.58 2wbk s VAL 372 Ca 0.07 1.19 -0.08 0.00 0.00 0.00 0.00 61.98 63.16 2wbk s VAL 372 Cb 0.08 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2wbk s VAL 372 CO 0.59 -0.39 0.96 0.42 0.00 0.00 0.00 175.10 176.68 2wbk s THR 373 N 4.46 3.62 0.24 3.92 -4.23 -1.26 -4.92 115.64 117.46 2wbk s THR 373 Ca 0.60 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 61.19 2wbk s THR 373 Cb -0.19 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.41 2wbk s THR 373 CO 0.24 -0.52 1.68 0.74 -0.54 0.00 0.00 174.62 176.21 2wbk h THR 374 N -0.32 0.50 -0.60 3.99 2.02 -1.98 -2.27 112.91 114.26 2wbk h THR 374 Ca -0.45 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2wbk h THR 374 Cb 1.25 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2wbk h THR 374 CO 0.62 0.04 0.38 -0.33 0.37 0.00 0.00 175.52 176.60 2wbk h GLU 375 N 0.22 0.80 -0.98 6.66 3.07 -1.99 -0.25 114.58 122.12 2wbk h GLU 375 Ca 0.39 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 59.24 2wbk h GLU 375 Cb 0.66 -0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 28.33 2wbk h GLU 375 CO -0.52 0.55 0.63 0.00 -1.40 0.00 0.00 179.01 178.27 2wbk h ARG 376 N 0.81 1.16 -0.57 2.33 3.08 -1.80 -1.09 114.38 118.32 2wbk h ARG 376 Ca 0.22 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 2wbk h ARG 376 Cb -0.07 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.70 2wbk h ARG 376 CO -0.04 0.77 -0.08 1.88 -1.07 0.00 0.00 179.97 181.42 2wbk h TYR 377 N 1.20 1.17 -0.54 3.04 0.05 -0.82 -1.60 116.97 119.47 2wbk h TYR 377 Ca 0.40 -0.23 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 2wbk h TYR 377 Cb 0.07 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 2wbk h TYR 377 CO -0.01 1.07 -0.01 1.96 -1.05 0.00 0.00 178.16 180.12 2wbk h GLN 378 N 0.94 0.93 -0.31 4.88 4.20 -0.57 -2.69 115.11 122.50 2wbk h GLN 378 Ca 0.15 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 2wbk h GLN 378 Cb 0.65 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2wbk h GLN 378 CO 0.04 0.93 -0.37 1.15 -0.67 0.00 0.00 178.83 179.91 2wbk h THR 379 N 0.85 1.29 -0.26 -0.54 2.02 -1.02 -1.99 112.91 113.27 2wbk h THR 379 Ca 0.16 -1.54 0.02 0.00 0.77 0.00 0.00 66.41 65.83 2wbk h THR 379 Cb 0.52 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2wbk h THR 379 CO 0.03 0.50 0.09 0.25 0.37 0.00 0.00 175.52 176.76 2wbk h LEU 380 N 0.59 0.11 -1.24 2.58 5.85 -1.26 0.61 115.31 122.56 2wbk h LEU 380 Ca 0.06 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2wbk h LEU 380 Cb 0.91 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2wbk h LEU 380 CO 0.08 0.10 0.12 -0.26 -0.34 0.00 0.00 178.44 178.14 2wbk h PHE 381 N 0.21 0.66 -0.49 1.25 -1.00 -1.28 -0.67 116.94 115.63 2wbk h PHE 381 Ca 0.11 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 2wbk h PHE 381 Cb 0.07 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 2wbk h PHE 381 CO -0.12 0.56 0.14 -0.09 -1.61 0.00 0.00 178.31 177.19 2wbk h ARG 382 N 0.64 0.77 -0.79 1.51 2.43 -1.10 0.15 114.38 117.99 2wbk h ARG 382 Ca 0.15 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2wbk h ARG 382 Cb 0.22 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 2wbk h ARG 382 CO -0.01 0.73 0.51 -0.44 -1.51 0.00 0.00 179.97 179.26 2wbk h ASP 383 N 0.66 0.70 0.01 -3.80 3.32 -0.13 0.25 116.42 117.43 2wbk h ASP 383 Ca 0.16 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2wbk h ASP 383 Cb 0.29 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.71 2wbk h ASP 383 CO -0.00 0.43 -0.28 0.24 -1.72 0.00 0.00 179.24 177.91 2wbk h MET 384 N 0.78 0.17 -0.57 3.56 2.86 -0.69 -3.05 114.93 117.99 2wbk h MET 384 Ca 0.35 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2wbk h MET 384 Cb 0.35 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2wbk h MET 384 CO -0.13 0.97 0.37 -0.22 1.06 0.00 0.00 176.91 178.96 2wbk h LYS 385 N -0.55 0.73 0.00 1.72 3.64 -0.40 -2.27 116.57 119.44 2wbk h LYS 385 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2wbk h LYS 385 Cb 1.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2wbk h LYS 385 CO 0.05 0.48 0.00 0.93 -2.27 0.00 0.00 179.45 178.65 2wbk h GLU 386 N 0.75 0.00 -0.61 1.90 5.08 -1.05 -0.14 114.58 120.51 2wbk h GLU 386 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2wbk h GLU 386 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2wbk h GLU 386 CO -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.96 2wbk n ALA 387 N -1.99 2.94 -1.86 3.43 0.00 -0.89 -4.87 120.51 117.26 2wbk n ALA 387 Ca 0.01 -1.12 -0.15 0.00 0.00 0.00 0.00 53.44 52.18 2wbk n ALA 387 Cb 0.28 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 0.73 -4.66 -4.83 0.00 3.02 -0.06 -3.96 115.26 105.50 2wbk n ASN 388 Ca 0.18 0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 54.58 2wbk n ASN 388 Cb 0.67 -3.65 -0.06 0.00 -0.61 0.00 0.00 39.78 36.14 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 -4.02 4.16 0.00 3.52 -1.94 -0.97 -4.90 119.30 115.15 2wbk s MET 389 Ca 0.00 1.02 0.00 0.00 -1.71 0.00 0.00 55.69 55.00 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 -0.03 0.87 0.27 -0.01 0.00 0.00 175.02 176.11 2wbk n ASN 390 N -0.72 1.52 -3.61 3.03 0.23 0.69 -4.72 115.26 111.68 2wbk n ASN 390 Ca 0.06 -1.74 -0.13 0.00 -0.53 0.00 0.00 54.58 52.24 2wbk n ASN 390 Cb 0.54 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.74 0.77 -0.01 -3.83 0.00 -1.12 -1.04 119.30 113.33 2wbk s MET 391 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 55.69 56.39 2wbk s MET 391 Cb 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 34.83 35.19 2wbk s MET 391 CO 0.00 -0.14 -0.10 0.54 0.00 0.00 0.00 175.02 175.31 2wbk s VAL 392 N -0.11 0.81 -0.21 10.11 0.11 -0.31 -3.09 120.40 127.70 2wbk s VAL 392 Ca -0.01 -0.44 -0.06 0.00 -2.93 0.00 0.00 61.98 58.54 2wbk s VAL 392 Cb -0.04 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2wbk s VAL 392 CO 0.01 0.23 0.03 -0.60 -3.33 0.00 0.00 175.10 171.44 2wbk s ARG 393 N -0.24 3.66 -0.60 1.54 3.52 -0.85 -0.85 118.95 125.12 2wbk s ARG 393 Ca 0.04 -0.49 -0.23 0.00 -0.13 0.00 0.00 55.73 54.92 2wbk s ARG 393 Cb -0.04 -3.17 0.06 0.00 -1.56 0.00 0.00 34.95 30.24 2wbk s ARG 393 CO -0.00 -0.03 0.92 0.42 -0.81 0.00 0.00 175.30 175.80 2wbk s ILE 394 N 1.13 4.40 0.50 4.11 1.01 0.45 -0.45 121.20 132.36 2wbk s ILE 394 Ca 0.03 -0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 2wbk s ILE 394 Cb -0.14 -4.59 -0.07 0.00 0.01 0.00 0.00 42.46 37.66 2wbk s ILE 394 CO 0.02 -1.27 1.11 0.86 0.00 0.00 0.00 174.94 175.67 2wbk s TRP 395 N 3.88 2.82 -2.00 3.97 -0.00 -1.01 -2.18 118.94 124.41 2wbk s TRP 395 Ca 0.24 1.56 0.10 0.00 -0.00 0.00 0.00 56.10 58.00 2wbk s TRP 395 Cb -0.16 -3.25 0.61 0.00 -0.00 0.00 0.00 33.47 30.67 2wbk s TRP 395 CO 0.14 -1.34 1.27 0.41 -0.00 0.00 0.00 176.95 177.43 2wbk n GLY 396 N 0.14 -0.85 0.85 5.86 0.00 -1.26 -2.56 105.19 107.37 2wbk n GLY 396 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.48 0.86 0.00 -0.02 0.00 -1.26 -1.59 105.19 103.66 2wbk n GLY 397 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.32 0.44 3.21 -0.02 0.00 -1.06 -0.67 105.19 108.42 2wbk n GLY 398 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 3.16 1.06 -0.03 2.61 -4.23 -1.26 -4.12 115.64 112.83 2wbk s THR 399 Ca 0.00 -1.85 -0.30 0.00 -1.18 0.00 0.00 61.69 58.36 2wbk s THR 399 Cb 0.00 -1.61 -0.06 0.00 1.34 0.00 0.00 72.50 72.16 2wbk s THR 399 CO 0.00 -0.65 1.74 -0.31 -0.54 0.00 0.00 174.62 174.86 2wbk s TYR 400 N -2.89 1.78 0.91 3.99 2.02 -1.26 -4.94 117.35 116.96 2wbk s TYR 400 Ca 0.11 0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.72 2wbk s TYR 400 Cb -0.00 -4.01 0.14 0.00 -0.40 0.00 0.00 41.96 37.69 2wbk s TYR 400 CO 0.00 -4.31 1.09 -1.21 -1.57 0.00 0.00 175.55 169.56 2wbk s GLU 401 N 4.19 1.16 0.84 -0.62 0.41 -1.26 -4.99 118.70 118.44 2wbk s GLU 401 Ca 0.78 0.83 -0.12 0.00 -0.41 0.00 0.00 54.97 56.05 2wbk s GLU 401 Cb -0.36 -1.80 0.09 0.00 -1.78 0.00 0.00 34.13 30.29 2wbk s GLU 401 CO 0.33 -2.31 1.10 0.54 -0.49 0.00 0.00 175.26 174.43 2wbk s ASN 402 N -3.38 4.10 0.25 -0.19 4.22 -1.26 -4.90 114.94 113.79 2wbk s ASN 402 Ca 0.64 1.28 -0.03 0.00 -2.14 0.00 0.00 52.86 52.60 2wbk s ASN 402 Cb -0.18 -1.97 0.41 0.00 1.28 0.00 0.00 41.25 40.78 2wbk s ASN 402 CO 0.57 -2.21 1.83 0.78 -2.04 0.00 0.00 177.10 176.03 2wbk h ASN 403 N -1.26 0.78 -0.71 3.54 2.35 -1.98 -2.62 115.58 115.69 2wbk h ASN 403 Ca -0.48 0.04 0.12 0.00 -0.55 0.00 0.00 56.30 55.42 2wbk h ASN 403 Cb 1.28 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 39.45 2wbk h ASN 403 CO 0.59 0.46 0.30 0.25 -1.65 0.00 0.00 177.43 177.37 2wbk h LEU 404 N 0.89 0.31 -0.42 1.61 5.85 -1.99 0.63 115.31 122.19 2wbk h LEU 404 Ca 0.41 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.26 2wbk h LEU 404 Cb 0.33 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2wbk h LEU 404 CO -0.23 0.15 0.18 0.15 -0.34 0.00 0.00 178.44 178.35 2wbk h PHE 405 N 0.47 0.33 0.00 1.25 3.57 -1.82 0.17 116.94 120.91 2wbk h PHE 405 Ca 0.37 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.76 2wbk h PHE 405 Cb 0.50 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2wbk h PHE 405 CO -0.15 0.15 -0.61 1.88 -2.23 0.00 0.00 178.31 177.34 2wbk h TYR 406 N 0.37 0.00 -0.64 0.41 0.05 -1.46 -2.16 116.97 113.54 2wbk h TYR 406 Ca 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.95 2wbk h TYR 406 Cb 0.14 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 2wbk h TYR 406 CO -0.13 0.61 0.30 -0.44 -1.05 0.00 0.00 178.16 177.45 2wbk h ASP 407 N 0.00 0.84 -0.71 3.88 3.32 0.74 -1.33 116.42 123.15 2wbk h ASP 407 Ca -0.01 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 2wbk h ASP 407 Cb 1.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2wbk h ASP 407 CO 0.08 0.74 0.28 -0.07 -1.72 0.00 0.00 179.24 178.56 2wbk h LEU 408 N 0.88 1.00 -0.68 1.55 3.38 -0.53 -1.41 115.31 119.50 2wbk h LEU 408 Ca 0.22 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2wbk h LEU 408 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2wbk h LEU 408 CO -0.03 0.89 -0.37 0.00 0.09 0.00 0.00 178.44 179.02 2wbk h ALA 409 N 1.25 0.86 0.06 1.53 0.00 -1.27 -0.68 119.26 121.02 2wbk h ALA 409 Ca 0.24 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2wbk h ALA 409 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wbk h ALA 409 CO -0.02 0.64 -0.15 -0.44 0.00 0.00 0.00 179.25 179.28 2wbk h ASP 410 N 0.50 -0.42 0.24 0.00 3.32 -0.74 -0.20 116.42 119.12 2wbk h ASP 410 Ca 0.05 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wbk h ASP 410 Cb 0.87 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2wbk h ASP 410 CO 0.08 -0.22 -0.08 -1.84 -1.72 0.00 0.00 179.24 175.46 2wbk n GLU 411 N -5.28 0.90 -0.13 3.56 0.28 -0.58 -3.33 120.64 116.07 2wbk n GLU 411 Ca -0.06 -0.32 0.06 0.00 -0.16 0.00 0.00 57.16 56.68 2wbk n GLU 411 Cb 0.20 -1.49 0.13 0.00 1.43 0.00 0.00 31.44 31.70 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 -0.77 2.69 -1.61 -1.84 3.02 -0.27 -4.81 115.26 111.67 2wbk n ASN 412 Ca 0.17 -1.83 -0.14 0.00 -0.03 0.00 0.00 54.58 52.75 2wbk n ASN 412 Cb 0.26 -0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.65 -0.17 3.41 7.41 0.00 -0.63 -4.33 105.19 111.53 2wbk n GLY 413 Ca 0.11 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.71 4.28 0.39 -0.61 -1.09 -0.18 -0.85 121.20 120.42 2wbk s ILE 414 Ca 0.03 -0.42 -0.27 0.00 -2.23 0.00 0.00 60.65 57.76 2wbk s ILE 414 Cb -0.01 -3.12 -0.09 0.00 -1.58 0.00 0.00 42.46 37.66 2wbk s ILE 414 CO 0.04 0.17 1.31 -0.76 -1.23 0.00 0.00 174.94 174.47 2wbk s LEU 415 N 1.58 4.27 -0.18 2.97 1.02 -0.20 -4.62 118.68 123.51 2wbk s LEU 415 Ca 0.05 2.69 -0.03 0.00 0.02 0.00 0.00 54.13 56.85 2wbk s LEU 415 Cb -0.16 -3.83 -0.02 0.00 0.02 0.00 0.00 46.19 42.20 2wbk s LEU 415 CO 0.04 -0.78 -0.05 -0.69 0.02 0.00 0.00 176.35 174.88 2wbk s VAL 416 N -1.23 3.52 -0.33 -1.59 1.01 0.13 -1.16 120.40 120.75 2wbk s VAL 416 Ca 0.55 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2wbk s VAL 416 Cb -0.39 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2wbk s VAL 416 CO 0.51 0.46 0.22 0.86 0.00 0.00 0.00 175.10 177.14 2wbk s TRP 417 N 0.90 3.22 -0.32 5.22 -0.11 -0.03 0.11 118.94 127.92 2wbk s TRP 417 Ca -0.01 -0.34 -0.09 0.00 1.22 0.00 0.00 56.10 56.88 2wbk s TRP 417 Cb -0.15 -2.44 0.01 0.00 -1.50 0.00 0.00 33.47 29.39 2wbk s TRP 417 CO 0.01 -0.40 0.15 -1.14 -4.62 0.00 0.00 176.95 170.95 2wbk s GLN 418 N 1.69 3.12 0.51 5.86 2.00 -0.39 -0.41 119.66 132.04 2wbk s GLN 418 Ca 0.06 -0.86 -0.19 0.00 -2.00 0.00 0.00 55.36 52.36 2wbk s GLN 418 Cb -0.17 -3.56 -0.07 0.00 0.80 0.00 0.00 33.01 30.00 2wbk s GLN 418 CO 0.09 -0.51 1.06 -0.51 -0.50 0.00 0.00 175.29 174.92 2wbk s ASP 419 N 1.56 6.15 0.81 6.67 1.11 -0.93 -0.81 116.67 131.23 2wbk s ASP 419 Ca 0.03 1.95 -0.11 0.00 0.18 0.00 0.00 52.55 54.60 2wbk s ASP 419 Cb -0.18 -2.56 0.07 0.00 1.07 0.00 0.00 42.92 41.33 2wbk s ASP 419 CO 0.05 -0.92 1.09 -0.36 1.18 0.00 0.00 175.17 176.22 2wbk s PHE 420 N -2.03 2.74 -1.25 4.23 0.08 0.50 -4.78 117.98 117.48 2wbk s PHE 420 Ca 0.67 1.21 -0.08 0.00 0.12 0.00 0.00 56.93 58.86 2wbk s PHE 420 Cb -0.17 -3.10 0.19 0.00 -0.57 0.00 0.00 43.02 39.36 2wbk s PHE 420 CO 0.24 -1.85 1.87 -1.33 -0.10 0.00 0.00 175.22 174.05 2wbk n MET 421 N -3.50 3.87 -3.97 0.44 2.81 -1.26 -4.34 117.12 111.18 2wbk n MET 421 Ca 0.07 -3.69 -0.16 0.00 -1.81 0.00 0.00 57.70 52.11 2wbk n MET 421 Cb 0.56 -2.83 -0.16 0.00 -0.71 0.00 0.00 33.22 30.08 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 -0.31 0.32 -0.21 2.03 0.08 -0.62 -4.89 117.98 114.38 2wbk s PHE 422 Ca 0.39 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 57.30 2wbk s PHE 422 Cb 0.10 -0.36 0.06 0.00 -0.57 0.00 0.00 43.02 42.25 2wbk s PHE 422 CO 0.01 -0.10 0.51 0.00 -0.10 0.00 0.00 175.22 175.54 2wbk s ALA 423 N 0.75 -1.33 0.00 5.36 0.00 -1.26 -1.27 121.76 124.00 2wbk s ALA 423 Ca -0.08 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2wbk s ALA 423 Cb -0.11 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2wbk s ALA 423 CO -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.45 2wbk s THR 425 N -1.97 0.05 0.75 0.00 -1.32 -1.26 -4.79 115.64 107.10 2wbk s THR 425 Ca 0.00 -0.39 -0.14 0.00 -1.21 0.00 0.00 61.69 59.94 2wbk s THR 425 Cb 0.00 -0.54 0.05 0.00 -1.51 0.00 0.00 72.50 70.50 2wbk s THR 425 CO 0.00 -0.22 1.21 -2.16 -2.21 0.00 0.00 174.62 171.24 2wbk s PRO 426 N -0.98 1.99 0.41 7.08 0.04 -1.26 -4.89 135.00 137.39 2wbk s PRO 426 Ca -0.10 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.77 2wbk s PRO 426 Cb -0.05 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 2wbk s PRO 426 CO 0.03 -1.95 0.03 0.71 0.04 0.00 0.00 177.00 175.87 2wbk s TYR 427 N -2.03 2.50 0.94 0.56 2.02 -1.26 -4.85 117.35 115.23 2wbk s TYR 427 Ca 0.74 -0.67 -0.11 0.00 -0.37 0.00 0.00 57.07 56.66 2wbk s TYR 427 Cb -0.29 -1.80 0.14 0.00 -0.40 0.00 0.00 41.96 39.61 2wbk s TYR 427 CO 0.47 0.40 1.01 -2.30 -1.57 0.00 0.00 175.55 173.56 2wbk n PRO 428 N -1.02 -0.54 -1.00 -1.71 -0.02 -1.26 -4.88 135.00 124.57 2wbk n PRO 428 Ca -0.05 -0.10 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 2wbk n PRO 428 Cb 0.67 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 -3.79 0.28 -4.80 2.55 3.41 -1.26 -4.88 113.62 105.13 2wbk n SER 429 Ca 0.11 -1.89 -0.30 0.00 -0.26 0.00 0.00 58.87 56.52 2wbk n SER 429 Cb 0.52 -0.15 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.31 4.63 0.23 4.04 -4.77 -1.26 -4.77 116.67 113.45 2wbk s ASP 430 Ca 0.14 1.43 -0.06 0.00 -3.30 0.00 0.00 52.55 50.76 2wbk s ASP 430 Cb 0.17 -2.19 0.38 0.00 -1.09 0.00 0.00 42.92 40.18 2wbk s ASP 430 CO -0.07 -1.90 1.75 -0.65 0.70 0.00 0.00 175.17 175.00 2wbk h PRO 431 N -1.04 0.50 -0.02 2.11 0.11 -1.99 -1.82 132.00 129.85 2wbk h PRO 431 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wbk h PRO 431 Cb 1.25 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wbk h PRO 431 CO 0.58 0.33 0.01 1.15 -0.21 0.00 0.00 178.00 179.85 2wbk h THR 432 N 0.51 1.14 -0.37 -1.15 2.02 -2.00 -1.25 112.91 111.82 2wbk h THR 432 Ca 0.37 -0.41 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2wbk h THR 432 Cb 0.48 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 2wbk h THR 432 CO -0.33 0.11 0.12 0.15 0.37 0.00 0.00 175.52 175.94 2wbk h PHE 433 N -0.14 0.21 -0.90 3.16 3.57 -1.91 -2.17 116.94 118.77 2wbk h PHE 433 Ca 0.01 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2wbk h PHE 433 Cb 0.17 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 2wbk h PHE 433 CO -0.02 0.08 0.54 -0.07 -2.23 0.00 0.00 178.31 176.61 2wbk h LEU 434 N 0.27 0.79 -0.71 0.59 3.38 -1.24 0.12 115.31 118.51 2wbk h LEU 434 Ca 0.17 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2wbk h LEU 434 Cb 0.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2wbk h LEU 434 CO -0.19 0.45 0.44 0.50 0.09 0.00 0.00 178.44 179.73 2wbk h LYS 435 N 0.90 0.95 -0.59 1.13 1.63 -0.75 0.12 116.57 119.96 2wbk h LYS 435 Ca 0.43 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 60.11 2wbk h LYS 435 Cb 0.37 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 2wbk h LYS 435 CO -0.24 0.67 0.23 0.00 -3.45 0.00 0.00 179.45 176.66 2wbk h ARG 436 N 0.96 0.89 -0.68 1.90 3.08 -0.78 -2.16 114.38 117.59 2wbk h ARG 436 Ca 0.26 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2wbk h ARG 436 Cb -0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 2wbk h ARG 436 CO -0.05 0.77 0.13 0.28 -1.07 0.00 0.00 179.97 180.02 2wbk h VAL 437 N 0.82 1.26 -0.44 2.04 2.07 -0.53 -2.35 116.25 119.13 2wbk h VAL 437 Ca 0.20 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.74 2wbk h VAL 437 Cb 0.21 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2wbk h VAL 437 CO -0.01 0.38 0.18 -0.08 0.02 0.00 0.00 177.57 178.06 2wbk h GLU 438 N 1.04 0.36 -0.70 1.57 4.81 -0.59 -1.14 114.58 119.93 2wbk h GLU 438 Ca 0.21 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2wbk h GLU 438 Cb 0.42 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2wbk h GLU 438 CO 0.01 0.24 0.45 0.00 -0.73 0.00 0.00 179.01 178.98 2wbk h ALA 439 N 1.26 0.90 -0.15 2.92 0.00 -1.03 -1.04 119.26 122.12 2wbk h ALA 439 Ca 0.20 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2wbk h ALA 439 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wbk h ALA 439 CO -0.17 0.26 -0.38 1.05 0.00 0.00 0.00 179.25 180.00 2wbk h GLU 440 N 0.90 0.32 0.01 0.00 4.11 -1.12 -1.86 114.58 116.93 2wbk h GLU 440 Ca 0.27 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.55 2wbk h GLU 440 Cb -0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2wbk h GLU 440 CO -0.08 0.65 -0.00 0.00 0.07 0.00 0.00 179.01 179.65 2wbk h ALA 441 N 1.34 -0.01 -0.51 1.06 0.00 -0.49 0.11 119.26 120.75 2wbk h ALA 441 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wbk h ALA 441 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2wbk h ALA 441 CO 0.06 -0.31 0.31 0.28 0.00 0.00 0.00 179.25 179.60 2wbk h VAL 442 N -0.41 1.15 -0.18 0.00 2.07 -1.24 -1.26 116.25 116.38 2wbk h VAL 442 Ca -0.00 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2wbk h VAL 442 Cb 0.40 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2wbk h VAL 442 CO 0.00 0.15 0.04 0.22 0.02 0.00 0.00 177.57 178.00 2wbk h TYR 443 N 0.68 0.31 -0.14 1.57 3.20 -1.25 -1.85 116.97 119.50 2wbk h TYR 443 Ca 0.18 -0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 2wbk h TYR 443 Cb -0.03 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2wbk h TYR 443 CO -0.03 0.44 -0.61 -0.91 -1.64 0.00 0.00 178.16 175.41 2wbk h ASN 444 N 0.10 0.55 -0.33 -2.11 2.35 -0.95 -0.66 115.58 114.51 2wbk h ASN 444 Ca 0.06 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.47 2wbk h ASN 444 Cb 0.29 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2wbk h ASN 444 CO 0.00 1.02 0.11 0.40 -1.65 0.00 0.00 177.43 177.31 2wbk h ILE 445 N 0.36 1.21 -0.20 2.81 2.04 -1.14 0.83 117.51 123.41 2wbk h ILE 445 Ca -0.01 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2wbk h ILE 445 Cb 1.15 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2wbk h ILE 445 CO 0.11 0.23 -0.13 0.03 0.00 0.00 0.00 178.15 178.39 2wbk h ARG 446 N 0.39 0.33 -0.43 2.37 3.08 -1.33 0.20 114.38 118.99 2wbk h ARG 446 Ca 0.11 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 2wbk h ARG 446 Cb 0.25 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2wbk h ARG 446 CO -0.00 0.47 -0.21 -0.09 -1.07 0.00 0.00 179.97 179.06 2wbk h ARG 447 N 0.31 0.86 0.00 0.04 2.43 -0.50 -3.36 114.38 114.16 2wbk h ARG 447 Ca 0.06 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2wbk h ARG 447 Cb 0.42 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2wbk h ARG 447 CO 0.02 0.99 -1.51 1.28 -1.51 0.00 0.00 179.97 179.24 2wbk n LEU 448 N -4.11 0.46 0.00 3.80 4.77 0.23 -4.66 117.00 117.48 2wbk n LEU 448 Ca 0.00 -0.20 0.05 0.00 -0.03 0.00 0.00 56.01 55.83 2wbk n LEU 448 Cb 0.44 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.74 2wbk n LEU 448 CO 0.45 0.10 0.64 -2.11 -1.33 0.00 0.00 177.39 175.15 2wbk n ARG 449 N -1.94 0.03 0.00 3.23 1.85 0.03 -2.09 116.66 117.78 2wbk n ARG 449 Ca -0.00 0.30 0.12 0.00 -1.00 0.00 0.00 57.85 57.27 2wbk n ARG 449 Cb 0.46 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.58 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 -1.45 1.31 -4.68 2.89 3.02 -1.26 -4.92 115.26 110.16 2wbk n ASN 450 Ca 0.03 -1.05 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 2wbk n ASN 450 Cb 0.11 0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.57 3.48 0.48 3.10 3.76 -0.89 -4.66 115.29 117.98 2wbk s HIS 451 Ca 0.20 1.56 0.20 0.00 -0.15 0.00 0.00 55.06 56.88 2wbk s HIS 451 Cb 0.18 -3.21 1.22 0.00 1.11 0.00 0.00 32.58 31.88 2wbk s HIS 451 CO 0.58 -0.30 1.96 0.00 -0.85 0.00 0.00 174.74 176.13 2wbk h ALA 452 N 7.15 2.29 0.00 -1.40 0.00 -1.86 -2.02 119.26 123.43 2wbk h ALA 452 Ca -0.30 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2wbk h ALA 452 Cb 1.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2wbk h ALA 452 CO 0.87 -0.46 -0.75 0.66 0.00 0.00 0.00 179.25 179.57 2wbk h SER 453 N 0.22 0.00 -2.57 0.00 4.64 -1.86 -3.45 113.55 110.53 2wbk h SER 453 Ca 0.30 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.09 2wbk h SER 453 Cb 0.89 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2wbk h SER 453 CO -0.06 0.75 1.09 -0.22 -0.87 0.00 0.00 176.83 177.53 2wbk s LEU 454 N -7.22 4.38 -0.09 5.97 2.96 -0.76 0.19 118.68 124.11 2wbk s LEU 454 Ca -0.00 2.53 0.02 0.00 -0.22 0.00 0.00 54.13 56.46 2wbk s LEU 454 Cb 0.11 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.18 2wbk s LEU 454 CO 0.78 -0.96 -0.06 0.00 -1.32 0.00 0.00 176.35 174.79 2wbk n ALA 455 N 6.38 1.79 -3.79 5.97 0.00 0.12 -4.85 120.51 126.13 2wbk n ALA 455 Ca 0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 2wbk n ALA 455 Cb 0.41 0.24 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.19 1.36 0.10 0.00 0.23 -1.20 -4.33 119.30 113.26 2wbk s MET 456 Ca -0.11 -0.75 0.09 0.00 -1.03 0.00 0.00 55.69 53.88 2wbk s MET 456 Cb 0.03 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.76 2wbk s MET 456 CO 0.24 -0.62 -0.23 -1.58 -2.03 0.00 0.00 175.02 170.80 2wbk s TRP 457 N -3.46 1.94 -0.03 3.16 0.52 -0.32 -1.26 118.94 119.49 2wbk s TRP 457 Ca 0.12 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.84 2wbk s TRP 457 Cb -0.03 -1.08 0.03 0.00 -1.15 0.00 0.00 33.47 31.24 2wbk s TRP 457 CO 0.04 0.21 0.01 0.00 0.02 0.00 0.00 176.95 177.23 2wbk h GLY 459 N 7.53 1.19 -2.16 0.00 0.00 -0.10 0.14 103.07 109.67 2wbk h GLY 459 Ca -0.36 -0.20 0.14 0.00 0.00 0.00 0.00 47.33 46.91 2wbk h GLY 459 CO 0.41 -0.04 0.40 0.54 0.00 0.00 0.00 176.54 177.85 2wbk s ASN 460 N -5.41 -0.19 -0.33 0.19 2.20 -1.17 -3.93 114.94 106.30 2wbk s ASN 460 Ca -0.12 -0.51 -0.14 0.00 -0.94 0.00 0.00 52.86 51.15 2wbk s ASN 460 Cb 0.20 0.58 -0.02 0.00 -2.00 0.00 0.00 41.25 40.01 2wbk s ASN 460 CO 0.77 -1.07 0.29 0.21 -2.94 0.00 0.00 177.10 174.35 2wbk s ASN 461 N -2.96 6.11 0.00 3.54 2.47 -0.40 -1.83 114.94 121.88 2wbk s ASN 461 Ca 0.12 -0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.10 2wbk s ASN 461 Cb -0.03 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 2wbk s ASN 461 CO 0.04 -0.26 0.00 -0.62 -3.72 0.00 0.00 177.10 172.54 2wbk n GLU 462 N 5.21 -1.20 -0.16 0.43 1.02 0.14 -1.52 120.64 124.56 2wbk n GLU 462 Ca -0.11 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 2wbk n GLU 462 Cb 0.50 -4.37 -0.00 0.00 -0.02 0.00 0.00 31.44 27.54 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 1.23 -0.40 -3.67 2.04 -1.84 0.23 117.51 115.09 2wbk h ILE 463 Ca 0.00 -0.78 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 2wbk h ILE 463 Cb 0.60 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2wbk h ILE 463 CO 0.00 0.28 -0.18 0.25 0.00 0.00 0.00 178.15 178.50 2wbk h LEU 464 N 0.59 0.85 -0.51 1.44 5.85 -1.89 -1.15 115.31 120.49 2wbk h LEU 464 Ca 0.14 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.56 2wbk h LEU 464 Cb 0.29 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2wbk h LEU 464 CO -0.00 1.06 0.03 -0.08 -0.34 0.00 0.00 178.44 179.12 2wbk h GLU 465 N 0.64 0.15 -0.78 1.25 4.81 -1.79 0.31 114.58 119.17 2wbk h GLU 465 Ca 0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2wbk h GLU 465 Cb 0.74 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 2wbk h GLU 465 CO 0.06 0.10 0.42 0.00 -0.73 0.00 0.00 179.01 178.86 2wbk h ALA 466 N 1.44 1.28 -0.19 2.92 0.00 -0.01 0.92 119.26 125.61 2wbk h ALA 466 Ca 0.26 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2wbk h ALA 466 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wbk h ALA 466 CO -0.40 0.59 -0.63 -0.07 0.00 0.00 0.00 179.25 178.74 2wbk h LEU 467 N 1.09 0.75 0.06 0.00 3.38 -0.68 -2.44 115.31 117.47 2wbk h LEU 467 Ca 0.28 -0.44 -0.26 0.00 0.09 0.00 0.00 57.88 57.55 2wbk h LEU 467 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wbk h LEU 467 CO -0.04 1.20 -1.25 0.11 0.09 0.00 0.00 178.44 178.54 2wbk h LYS 468 N 0.49 0.13 0.00 1.13 1.57 -0.70 -3.43 116.57 115.75 2wbk h LYS 468 Ca -0.01 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2wbk h LYS 468 Cb 1.21 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2wbk h LYS 468 CO 0.12 1.03 0.00 0.66 -0.57 0.00 0.00 179.45 180.70 2wbk n TYR 469 N -3.39 0.00 -0.29 -1.35 4.01 0.29 -4.74 117.16 111.69 2wbk n TYR 469 Ca -0.08 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.75 2wbk n TYR 469 Cb 1.00 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 40.34 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 -0.34 1.25 -3.08 -0.72 8.01 -0.92 -4.91 117.44 116.72 2wbk n TRP 470 Ca 0.00 -0.51 -0.13 0.00 -1.31 0.00 0.00 57.50 55.55 2wbk n TRP 470 Cb 0.03 -0.19 0.05 0.00 -2.01 0.00 0.00 31.31 29.19 2wbk n TRP 470 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wbk n GLY 471 N 1.12 0.05 0.10 6.99 0.00 -1.26 -4.95 105.19 107.23 2wbk n GLY 471 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.50 0.07 -0.16 1.61 0.04 -1.85 -3.29 116.94 111.86 2wbk h PHE 472 Ca -0.34 -0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.44 2wbk h PHE 472 Cb 1.21 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 2wbk h PHE 472 CO 0.29 0.85 0.19 1.05 -0.60 0.00 0.00 178.31 180.08 2wbk h GLU 473 N 0.02 0.00 -0.00 1.51 9.09 -1.90 0.26 114.58 123.56 2wbk h GLU 473 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2wbk h GLU 473 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.55 2wbk h GLU 473 CO 0.11 0.00 -0.14 1.63 0.05 0.00 0.00 179.01 180.66 2wbk n LYS 474 N -3.74 0.39 -0.00 1.06 5.02 -1.24 -3.80 118.16 115.85 2wbk n LYS 474 Ca 0.01 -0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.29 2wbk n LYS 474 Cb 0.31 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.20 0.43 -4.22 1.97 5.02 0.89 -4.99 118.16 116.06 2wbk n LYS 475 Ca 0.11 -0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2wbk n LYS 475 Cb 0.30 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 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 -3.33 1.13 0.67 2.13 0.08 -1.18 -5.07 117.98 112.39 2wbk s PHE 476 Ca -0.02 -0.87 -0.16 0.00 0.12 0.00 0.00 56.93 56.00 2wbk s PHE 476 Cb 0.15 -0.61 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 2wbk s PHE 476 CO 0.89 -0.06 1.15 0.95 -0.10 0.00 0.00 175.22 178.04 2wbk s THR 477 N -3.50 2.91 0.55 0.64 -4.23 -1.26 -4.78 115.64 105.97 2wbk s THR 477 Ca 0.17 0.45 0.24 0.00 -1.18 0.00 0.00 61.69 61.37 2wbk s THR 477 Cb 0.04 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 71.24 2wbk s THR 477 CO -0.01 -0.23 2.06 -0.65 -0.54 0.00 0.00 174.62 175.25 2wbk h PRO 478 N 0.10 0.00 -0.10 3.99 0.11 -1.99 -0.62 132.00 133.49 2wbk h PRO 478 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2wbk h PRO 478 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wbk h PRO 478 CO 0.53 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 179.10 2wbk h GLU 479 N 0.00 0.29 -0.01 1.05 3.07 -1.99 -0.68 114.58 116.30 2wbk h GLU 479 Ca 0.14 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2wbk h GLU 479 Cb 0.62 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2wbk h GLU 479 CO -0.00 0.74 0.01 0.28 -1.40 0.00 0.00 179.01 178.63 2wbk h VAL 480 N -0.14 1.12 -0.35 3.13 2.07 -1.82 -0.35 116.25 119.92 2wbk h VAL 480 Ca 0.01 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.24 2wbk h VAL 480 Cb 0.71 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 2wbk h VAL 480 CO 0.04 0.10 -0.13 0.22 0.02 0.00 0.00 177.57 177.81 2wbk h TYR 481 N -0.13 -0.31 -0.74 1.57 3.20 -1.14 0.68 116.97 120.10 2wbk h TYR 481 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2wbk h TYR 481 Cb 0.15 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2wbk h TYR 481 CO -0.02 -0.21 0.41 1.96 -1.64 0.00 0.00 178.16 178.65 2wbk h GLN 482 N -0.07 1.03 -0.67 1.82 7.50 -1.01 0.44 115.11 124.14 2wbk h GLN 482 Ca 0.17 -0.11 0.05 0.00 0.50 0.00 0.00 58.65 59.26 2wbk h GLN 482 Cb 0.33 -0.21 -0.05 0.00 0.05 0.00 0.00 27.48 27.60 2wbk h GLN 482 CO -0.39 0.76 0.40 0.78 -1.50 0.00 0.00 178.83 178.87 2wbk h GLY 483 N 1.08 0.98 1.24 3.46 0.00 -0.12 -0.94 103.07 108.77 2wbk h GLY 483 Ca 0.26 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2wbk h GLY 483 CO -0.04 0.21 0.20 1.41 0.00 0.00 0.00 176.54 178.31 2wbk h LEU 484 N 0.75 0.89 -0.24 3.11 3.38 0.20 -0.26 115.31 123.14 2wbk h LEU 484 Ca 0.29 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2wbk h LEU 484 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2wbk h LEU 484 CO -0.15 0.84 0.04 0.24 0.09 0.00 0.00 178.44 179.50 2wbk h MET 485 N 0.93 0.39 0.00 1.13 2.86 -0.47 -2.31 114.93 117.46 2wbk h MET 485 Ca 0.21 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 2wbk h MET 485 Cb 0.27 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2wbk h MET 485 CO -0.01 0.53 -0.60 0.45 1.06 0.00 0.00 176.91 178.34 2wbk h HIS 486 N 0.19 0.00 -0.14 -0.22 3.86 -1.14 -2.70 115.15 115.01 2wbk h HIS 486 Ca 0.07 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2wbk h HIS 486 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2wbk h HIS 486 CO 0.02 0.60 -0.02 0.78 0.86 0.00 0.00 177.93 180.17 2wbk h GLY 487 N 1.87 0.21 0.83 2.45 0.00 -0.91 -1.82 103.07 105.71 2wbk h GLY 487 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2wbk h GLY 487 CO 0.08 0.09 0.02 -1.82 0.00 0.00 0.00 176.54 174.91 2wbk h TYR 488 N 0.19 0.07 -0.65 5.60 3.20 -1.07 -2.53 116.97 121.78 2wbk h TYR 488 Ca 0.05 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2wbk h TYR 488 Cb 0.17 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2wbk h TYR 488 CO 0.00 0.22 0.05 -0.44 -1.64 0.00 0.00 178.16 176.36 2wbk h ASP 489 N -0.10 1.07 -0.91 -2.11 5.19 -1.49 0.12 116.42 118.19 2wbk h ASP 489 Ca 0.01 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 2wbk h ASP 489 Cb 0.18 -0.29 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 2wbk h ASP 489 CO -0.00 1.09 0.55 0.11 -3.12 0.00 0.00 179.24 177.86 2wbk h LYS 490 N 1.02 1.24 0.00 3.56 1.57 -1.11 -0.94 116.57 121.90 2wbk h LYS 490 Ca 0.19 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wbk h LYS 490 Cb 0.51 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wbk h LYS 490 CO 0.02 0.87 -0.06 1.25 -0.57 0.00 0.00 179.45 180.96 2wbk h LEU 491 N 1.25 0.00 0.00 2.94 5.85 -1.27 -2.13 115.31 121.96 2wbk h LEU 491 Ca 0.33 -0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.74 2wbk h LEU 491 Cb -0.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2wbk h LEU 491 CO -0.06 0.57 -1.33 -0.26 -0.34 0.00 0.00 178.44 177.02 2wbk h PHE 492 N -1.00 0.00 -0.01 1.25 0.04 -1.05 -1.81 116.94 114.35 2wbk h PHE 492 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wbk h PHE 492 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2wbk h PHE 492 CO 0.00 0.87 -0.53 0.54 -0.60 0.00 0.00 178.31 178.59 2wbk n ARG 493 N -3.12 0.98 0.01 1.51 1.74 -0.52 -4.34 116.66 112.92 2wbk n ARG 493 Ca -0.09 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 2wbk n ARG 493 Cb 0.95 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.32 0.00 0.30 5.56 1.02 -0.47 -4.81 120.64 121.91 2wbk n GLU 494 Ca 0.09 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 2wbk n GLU 494 Cb 0.43 -0.03 -0.09 0.00 -0.02 0.00 0.00 31.44 31.73 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 -1.29 0.11 -4.62 5.85 -1.34 -1.68 115.31 112.33 2wbk h LEU 495 Ca 0.00 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2wbk h LEU 495 Cb 0.00 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2wbk h LEU 495 CO 0.00 -0.64 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.11 2wbk h LEU 496 N -0.98 -0.80 -1.38 2.25 3.38 -1.60 -0.99 115.31 115.18 2wbk h LEU 496 Ca -0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2wbk h LEU 496 Cb 0.84 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2wbk h LEU 496 CO -0.03 -0.37 0.17 1.55 0.09 0.00 0.00 178.44 179.85 2wbk h PRO 497 N -0.49 0.59 -0.33 1.13 0.13 -1.75 0.79 132.00 132.07 2wbk h PRO 497 Ca 0.03 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.96 2wbk h PRO 497 Cb 0.52 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2wbk h PRO 497 CO -0.17 0.49 -0.30 0.66 -0.23 0.00 0.00 178.00 178.45 2wbk h SER 498 N 0.59 0.74 -0.34 1.44 4.64 -1.17 0.61 113.55 120.05 2wbk h SER 498 Ca 0.15 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 2wbk h SER 498 Cb 0.12 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2wbk h SER 498 CO -0.02 0.99 -0.01 0.74 -0.87 0.00 0.00 176.83 177.67 2wbk h THR 499 N 0.61 1.26 -0.70 2.95 2.02 -0.17 -0.95 112.91 117.93 2wbk h THR 499 Ca 0.07 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.34 2wbk h THR 499 Cb 0.82 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 2wbk h THR 499 CO 0.07 0.32 0.38 0.58 0.37 0.00 0.00 175.52 177.24 2wbk h VAL 500 N 0.41 0.94 -0.80 3.16 2.07 -0.70 -0.95 116.25 120.37 2wbk h VAL 500 Ca 0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2wbk h VAL 500 Cb 0.46 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2wbk h VAL 500 CO 0.02 0.12 0.46 0.50 0.02 0.00 0.00 177.57 178.69 2wbk h LYS 501 N 0.68 1.10 -0.01 1.57 3.64 -0.63 0.60 116.57 123.52 2wbk h LYS 501 Ca 0.32 -0.12 -0.25 0.00 -1.27 0.00 0.00 60.65 59.34 2wbk h LYS 501 Cb 0.25 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2wbk h LYS 501 CO -0.21 0.80 -0.98 1.49 -2.27 0.00 0.00 179.45 178.27 2wbk h GLU 502 N 1.11 0.62 0.00 1.90 4.81 -0.83 -3.33 114.58 118.85 2wbk h GLU 502 Ca 0.28 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2wbk h GLU 502 Cb -0.00 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2wbk h GLU 502 CO -0.05 1.25 -0.72 1.19 -0.73 0.00 0.00 179.01 179.95 2wbk n PHE 503 N -3.83 0.00 -2.77 0.92 3.72 -0.39 -4.66 117.46 110.44 2wbk n PHE 503 Ca -0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 2wbk n PHE 503 Cb 0.85 -0.05 0.06 0.00 -0.94 0.00 0.00 39.48 39.40 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 -1.39 -0.23 0.21 4.37 -0.08 0.19 -4.84 116.55 114.79 2wbk n ASP 504 Ca 0.01 -2.83 0.14 0.00 -1.51 0.00 0.00 54.79 50.61 2wbk n ASP 504 Cb 0.20 0.28 0.75 0.00 2.34 0.00 0.00 41.12 44.69 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 2.69 0.00 -0.48 1.67 4.64 -1.64 -1.47 113.55 118.96 2wbk h SER 505 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2wbk h SER 505 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wbk h SER 505 CO 0.27 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.70 2wbk n ASP 506 N -2.48 3.38 -4.71 4.97 8.00 -1.26 -4.94 116.55 119.51 2wbk n ASP 506 Ca -0.02 -1.96 -0.35 0.00 0.71 0.00 0.00 54.79 53.18 2wbk n ASP 506 Cb 0.06 -0.32 -0.09 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.11 3.02 0.48 -1.24 0.52 -0.55 -4.97 118.95 115.11 2wbk s ARG 507 Ca 0.36 -0.40 -0.23 0.00 -0.52 0.00 0.00 55.73 54.94 2wbk s ARG 507 Cb 0.20 -2.83 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 2wbk s ARG 507 CO 0.26 0.70 1.29 0.12 0.02 0.00 0.00 175.30 177.69 2wbk s PHE 508 N -0.94 2.60 -0.01 -0.53 5.36 -1.26 -4.90 117.98 118.29 2wbk s PHE 508 Ca 0.15 1.43 0.03 0.00 -0.96 0.00 0.00 56.93 57.57 2wbk s PHE 508 Cb -0.11 -3.64 -0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2wbk s PHE 508 CO 0.04 -2.28 -0.09 -0.47 -1.46 0.00 0.00 175.22 170.97 2wbk s TYR 509 N -1.37 0.81 0.01 10.12 5.04 -1.26 -1.17 117.35 129.53 2wbk s TYR 509 Ca 0.65 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 55.15 2wbk s TYR 509 Cb -0.36 -0.53 -0.01 0.00 0.35 0.00 0.00 41.96 41.40 2wbk s TYR 509 CO 0.44 -0.03 -0.09 0.54 -1.34 0.00 0.00 175.55 175.08 2wbk s VAL 510 N -0.13 0.66 0.12 3.14 0.11 -1.01 -5.00 120.40 118.30 2wbk s VAL 510 Ca 0.02 -0.52 0.27 0.00 -2.93 0.00 0.00 61.98 58.83 2wbk s VAL 510 Cb -0.04 -0.59 0.29 0.00 -1.53 0.00 0.00 36.38 34.51 2wbk s VAL 510 CO -0.00 0.07 1.88 1.12 -3.33 0.00 0.00 175.10 174.85 2wbk h HIS 511 N 5.62 0.00 -2.46 1.54 2.07 -1.90 0.45 115.15 120.47 2wbk h HIS 511 Ca -0.32 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.18 2wbk h HIS 511 Cb 1.19 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.01 2wbk h HIS 511 CO 0.45 0.14 0.24 0.45 -3.07 0.00 0.00 177.93 176.14 2wbk s SER 512 N -6.02 -0.58 -0.08 3.10 0.15 -1.26 -3.03 113.70 105.97 2wbk s SER 512 Ca 0.01 0.32 0.02 0.00 0.70 0.00 0.00 55.95 57.00 2wbk s SER 512 Cb 0.10 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 2wbk s SER 512 CO 0.60 -0.76 -0.13 -0.55 1.20 0.00 0.00 173.24 173.60 2wbk s SER 513 N -1.99 2.06 0.42 5.45 0.15 -0.76 -3.16 113.70 115.87 2wbk s SER 513 Ca -0.04 -0.35 -0.21 0.00 0.70 0.00 0.00 55.95 56.05 2wbk s SER 513 Cb -0.01 -0.93 -0.11 0.00 -1.71 0.00 0.00 66.02 63.27 2wbk s SER 513 CO -0.02 0.02 0.95 -2.16 1.20 0.00 0.00 173.24 173.23 2wbk s PRO 514 N 0.85 4.24 0.19 5.44 0.04 -1.26 0.26 135.00 144.75 2wbk s PRO 514 Ca -0.11 1.14 0.15 0.00 0.04 0.00 0.00 61.00 62.22 2wbk s PRO 514 Cb -0.15 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2wbk s PRO 514 CO 0.01 -0.02 1.21 0.10 0.04 0.00 0.00 177.00 178.34 2wbk h TYR 515 N 1.98 0.00 0.00 0.56 -0.00 -1.75 -3.43 116.97 114.34 2wbk h TYR 515 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.24 2wbk h TYR 515 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 2wbk h TYR 515 CO 0.62 0.58 0.00 -0.11 -0.00 0.00 0.00 178.16 179.24 2wbk n LEU 516 N -3.12 0.00 -4.65 0.10 7.94 -1.26 -4.97 117.00 111.04 2wbk n LEU 516 Ca -0.02 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.44 2wbk n LEU 516 Cb 0.79 0.10 -0.01 0.00 0.53 0.00 0.00 43.42 44.83 2wbk n LEU 516 CO 0.42 -0.38 0.81 0.00 -1.11 0.00 0.00 177.39 177.13 2wbk n ALA 517 N -2.25 0.67 -2.68 1.96 0.00 -1.24 -5.01 120.51 111.95 2wbk n ALA 517 Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 2wbk n ALA 517 Cb 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 19.45 17.13 2wbk n ALA 517 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wbk s ASN 518 N -0.27 1.09 0.54 0.00 3.84 -1.26 -4.72 114.94 114.16 2wbk s ASN 518 Ca 0.60 -0.20 0.32 0.00 0.21 0.00 0.00 52.86 53.79 2wbk s ASN 518 Cb -0.64 -0.11 1.37 0.00 -0.55 0.00 0.00 41.25 41.32 2wbk s ASN 518 CO 0.59 0.09 1.99 4.11 -2.79 0.00 0.00 177.10 181.09 2wbk h TRP 519 N 5.79 0.00 -0.47 0.43 5.08 -1.96 -1.07 115.95 123.76 2wbk h TRP 519 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.66 2wbk h TRP 519 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2wbk h TRP 519 CO 0.42 0.05 0.00 0.41 -1.28 0.00 0.00 178.44 178.04 2wbk n GLY 520 N -0.07 1.59 2.91 11.11 0.00 -1.26 -4.75 105.19 114.72 2wbk n GLY 520 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.38 1.99 0.36 1.61 0.52 -0.41 -4.98 118.95 116.67 2wbk s ARG 521 Ca 0.39 -2.71 0.15 0.00 -0.52 0.00 0.00 55.73 53.04 2wbk s ARG 521 Cb 0.21 -3.21 1.02 0.00 0.52 0.00 0.00 34.95 33.49 2wbk s ARG 521 CO 0.29 -1.16 1.75 -1.35 0.02 0.00 0.00 175.30 174.85 2wbk h PRO 522 N 6.27 0.45 0.00 3.54 0.11 -1.85 0.21 132.00 140.73 2wbk h PRO 522 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2wbk h PRO 522 Cb 0.87 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2wbk h PRO 522 CO 0.67 0.30 0.00 -0.85 -0.21 0.00 0.00 178.00 177.91 2wbk n GLU 523 N -4.75 0.09 0.00 1.05 0.00 -1.26 -2.26 120.64 113.51 2wbk n GLU 523 Ca 0.26 0.50 0.08 0.00 0.00 0.00 0.00 57.16 58.00 2wbk n GLU 523 Cb 0.84 -1.75 -0.02 0.00 0.00 0.00 0.00 31.44 30.51 2wbk n GLU 523 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2wbk n SER 524 N -1.93 1.40 0.23 -1.84 3.41 0.72 -4.58 113.62 111.02 2wbk n SER 524 Ca 0.00 -1.20 0.07 0.00 -0.26 0.00 0.00 58.87 57.48 2wbk n SER 524 Cb 0.08 0.60 0.53 0.00 -0.26 0.00 0.00 64.21 65.16 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 1.34 0.00 0.00 7.33 6.55 -1.52 -2.51 115.95 127.15 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 0.50 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.80 2wbk h TRP 525 CO 0.00 0.21 0.00 0.41 -1.05 0.00 0.00 178.44 178.01 2wbk n GLY 526 N -0.80 -0.88 3.06 1.49 0.00 -1.26 -3.53 105.19 103.28 2wbk n GLY 526 Ca -0.02 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 2.44 0.00 2.61 2.01 -0.94 -1.56 115.64 118.20 2wbk s THR 527 Ca 0.25 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.25 2wbk s THR 527 Cb 0.12 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2wbk s THR 527 CO 0.19 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 2wbk n GLY 528 N 4.38 2.02 3.87 4.40 0.00 0.25 -3.73 105.19 116.39 2wbk n GLY 528 Ca -0.04 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 6.58 0.12 1.61 -4.77 -1.26 -3.59 116.67 111.36 2wbk s ASP 529 Ca 0.00 1.16 0.10 0.00 -3.30 0.00 0.00 52.55 50.51 2wbk s ASP 529 Cb 0.00 -2.33 -0.04 0.00 -1.09 0.00 0.00 42.92 39.46 2wbk s ASP 529 CO 0.00 -0.35 -0.25 -0.44 0.70 0.00 0.00 175.17 174.83 2wbk s SER 530 N -2.95 3.06 -0.56 2.11 0.01 0.02 -4.23 113.70 111.16 2wbk s SER 530 Ca 0.52 -0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.00 2wbk s SER 530 Cb -0.10 -0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.08 2wbk s SER 530 CO 0.28 0.14 0.39 -1.00 0.41 0.00 0.00 173.24 173.46 2wbk s HIS 531 N -1.11 3.49 -1.34 2.43 3.76 -1.26 -1.53 115.29 119.73 2wbk s HIS 531 Ca 0.12 -2.42 -0.17 0.00 -0.15 0.00 0.00 55.06 52.43 2wbk s HIS 531 Cb -0.10 -3.31 0.06 0.00 1.11 0.00 0.00 32.58 30.34 2wbk s HIS 531 CO 0.05 -0.92 1.87 -1.71 -0.85 0.00 0.00 174.74 173.19 2wbk n ASN 532 N 4.08 4.65 -0.54 1.40 2.85 -0.46 -4.39 115.26 122.85 2wbk n ASN 532 Ca 0.03 -2.90 0.03 0.00 -0.11 0.00 0.00 54.58 51.63 2wbk n ASN 532 Cb 0.40 -1.73 0.10 0.00 1.24 0.00 0.00 39.78 39.80 2wbk n ASN 532 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2wbk n TRP 533 N 7.81 0.38 -0.06 1.20 7.02 -1.26 -3.72 117.44 128.81 2wbk n TRP 533 Ca 0.50 -0.16 -0.07 0.00 -1.02 0.00 0.00 57.50 56.74 2wbk n TRP 533 Cb 0.44 -0.06 -0.01 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 5.29 0.02 -4.02 6.99 0.00 -1.85 -1.30 103.07 108.21 2wbk h GLY 534 Ca 0.00 0.21 -0.51 0.00 0.00 0.00 0.00 47.33 47.02 2wbk h GLY 534 CO 0.04 -0.17 0.49 0.14 0.00 0.00 0.00 176.54 177.04 2wbk s VAL 535 N -6.15 3.72 0.00 4.60 1.01 -1.24 -1.40 120.40 120.94 2wbk s VAL 535 Ca -0.14 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2wbk s VAL 535 Cb 0.12 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2wbk s VAL 535 CO 0.69 0.29 0.00 1.87 0.00 0.00 0.00 175.10 177.95 2wbk n TRP 536 N 2.08 0.00 -0.06 5.22 -0.00 -1.26 -4.55 117.44 118.87 2wbk n TRP 536 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.39 2wbk n TRP 536 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.70 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 0.48 -0.06 5.87 0.05 -1.52 -2.31 116.97 119.48 2wbk h TYR 537 Ca 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 2wbk h TYR 537 Cb 0.00 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 2wbk h TYR 537 CO 0.00 0.74 0.01 0.41 -1.05 0.00 0.00 178.16 178.27 2wbk n GLY 538 N 0.09 1.73 1.77 3.88 0.00 -0.49 -4.89 105.19 107.28 2wbk n GLY 538 Ca -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.10 -1.72 -1.78 1.61 4.01 -0.87 -4.85 118.16 114.66 2wbk n LYS 539 Ca 0.03 0.04 -0.38 0.00 -0.51 0.00 0.00 58.31 57.49 2wbk n LYS 539 Cb 0.38 -3.05 0.05 0.00 -0.51 0.00 0.00 35.03 31.90 2wbk n LYS 539 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2wbk s LYS 540 N -0.68 2.90 0.65 1.97 1.02 -0.82 -4.88 119.74 119.90 2wbk s LYS 540 Ca 0.00 2.15 -0.15 0.00 0.02 0.00 0.00 55.97 57.99 2wbk s LYS 540 Cb 0.00 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 2wbk s LYS 540 CO 0.00 -1.35 1.11 -1.25 -0.92 0.00 0.00 175.35 172.94 2wbk s PRO 541 N -3.11 2.87 0.50 -1.68 0.04 -1.26 -4.42 135.00 127.94 2wbk s PRO 541 Ca 0.76 1.38 0.21 0.00 0.04 0.00 0.00 61.00 63.39 2wbk s PRO 541 Cb -0.39 -1.96 1.27 0.00 0.04 0.00 0.00 34.50 33.46 2wbk s PRO 541 CO 0.44 -1.19 2.00 0.74 0.04 0.00 0.00 177.00 179.03 2wbk h PHE 542 N 0.11 0.14 0.00 0.56 0.04 -1.94 0.10 116.94 115.96 2wbk h PHE 542 Ca -0.47 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 2wbk h PHE 542 Cb 1.24 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 2wbk h PHE 542 CO 0.55 0.06 -0.00 0.93 -0.60 0.00 0.00 178.31 179.25 2wbk h GLU 543 N 0.13 0.00 0.00 1.51 3.07 -1.95 -2.03 114.58 115.31 2wbk h GLU 543 Ca 0.24 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2wbk h GLU 543 Cb 0.77 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 2wbk h GLU 543 CO -0.03 0.00 -0.01 0.66 -1.40 0.00 0.00 179.01 178.23 2wbk h SER 544 N 0.00 0.00 0.27 1.42 4.64 -1.33 -2.26 113.55 116.29 2wbk h SER 544 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wbk h SER 544 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2wbk h SER 544 CO 0.00 0.01 -0.00 -0.07 -0.87 0.00 0.00 176.83 175.90 2wbk h LEU 545 N 0.00 0.00 -0.36 5.97 3.38 -1.54 0.32 115.31 123.08 2wbk h LEU 545 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2wbk h LEU 545 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wbk h LEU 545 CO 0.00 0.00 -0.82 0.44 0.09 0.00 0.00 178.44 178.15 2wbk h ASP 546 N 0.00 0.06 0.04 -0.43 3.32 -1.59 -3.38 116.42 114.45 2wbk h ASP 546 Ca -0.00 -0.05 -0.37 0.00 0.02 0.00 0.00 57.03 56.63 2wbk h ASP 546 Cb 0.14 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 2wbk h ASP 546 CO 0.00 0.85 -2.35 0.35 -1.72 0.00 0.00 179.24 176.38 2wbk n THR 547 N -3.60 1.45 -3.31 0.35 -2.24 -0.39 -4.82 114.28 101.72 2wbk n THR 547 Ca -0.01 -0.76 -0.46 0.00 -2.27 0.00 0.00 64.05 60.54 2wbk n THR 547 Cb 0.78 -0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 2wbk n THR 547 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wbk s ASP 548 N -5.89 7.01 -0.10 3.42 1.01 0.99 -5.03 116.67 118.08 2wbk s ASP 548 Ca -0.17 -3.07 -0.05 0.00 0.71 0.00 0.00 52.55 49.96 2wbk s ASP 548 Cb 0.07 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 2wbk s ASP 548 CO 0.76 -0.47 0.11 -0.76 0.21 0.00 0.00 175.17 175.02 2wbk s LEU 549 N -0.34 4.18 0.35 1.23 2.01 -1.26 -4.72 118.68 120.12 2wbk s LEU 549 Ca 0.25 0.37 0.07 0.00 0.01 0.00 0.00 54.13 54.83 2wbk s LEU 549 Cb -0.10 -2.05 -0.01 0.00 0.01 0.00 0.00 46.19 44.04 2wbk s LEU 549 CO -0.08 0.39 0.46 -2.16 1.01 0.00 0.00 176.35 175.97 2wbk s PRO 550 N -1.08 3.04 0.45 1.29 0.04 -1.26 -4.73 135.00 132.74 2wbk s PRO 550 Ca 0.16 -1.07 0.24 0.00 0.04 0.00 0.00 61.00 60.37 2wbk s PRO 550 Cb -0.12 -2.78 0.99 0.00 0.04 0.00 0.00 34.50 32.63 2wbk s PRO 550 CO 0.05 0.02 1.86 0.00 0.04 0.00 0.00 177.00 178.97 2wbk h ARG 551 N 0.90 0.00 -1.70 4.56 2.47 -1.61 -3.33 114.38 115.66 2wbk h ARG 551 Ca -0.45 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.35 2wbk h ARG 551 Cb 1.26 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.34 2wbk h ARG 551 CO 0.52 0.22 0.21 0.12 0.56 0.00 0.00 179.97 181.60 2wbk s PHE 552 N -3.73 -0.81 -0.56 3.04 5.36 -1.25 -1.44 117.98 118.59 2wbk s PHE 552 Ca -0.00 1.59 -0.18 0.00 -0.96 0.00 0.00 56.93 57.38 2wbk s PHE 552 Cb 0.11 0.48 0.11 0.00 -0.34 0.00 0.00 43.02 43.38 2wbk s PHE 552 CO 0.63 -0.40 0.61 1.41 -1.46 0.00 0.00 175.22 176.01 2wbk s MET 553 N 1.61 3.03 0.21 10.12 -2.45 0.37 -0.80 119.30 131.38 2wbk s MET 553 Ca -0.09 -1.42 0.24 0.00 -1.25 0.00 0.00 55.69 53.17 2wbk s MET 553 Cb -0.05 -4.26 0.31 0.00 1.25 0.00 0.00 34.83 32.09 2wbk s MET 553 CO -0.17 -1.42 1.36 0.66 1.05 0.00 0.00 175.02 176.50 2wbk h SER 554 N 9.05 0.00 -3.96 1.11 4.64 -1.48 0.80 113.55 123.70 2wbk h SER 554 Ca -0.29 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 2wbk h SER 554 Cb 1.09 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.96 2wbk h SER 554 CO 1.06 0.04 -0.01 -1.10 -0.87 0.00 0.00 176.83 175.95 2wbk s GLN 555 N -3.22 0.70 -0.05 4.77 -0.21 -1.04 -4.63 119.66 115.97 2wbk s GLN 555 Ca 0.05 0.83 -0.29 0.00 0.02 0.00 0.00 55.36 55.96 2wbk s GLN 555 Cb 0.11 0.34 0.11 0.00 1.00 0.00 0.00 33.01 34.57 2wbk s GLN 555 CO 0.71 -0.09 0.92 -0.59 -2.12 0.00 0.00 175.29 174.13 2wbk s PHE 556 N 0.30 -0.35 -0.03 0.91 -0.12 -1.24 -1.35 117.98 116.10 2wbk s PHE 556 Ca -0.00 0.34 -0.26 0.00 -0.05 0.00 0.00 56.93 56.96 2wbk s PHE 556 Cb -0.04 0.51 0.08 0.00 -0.63 0.00 0.00 43.02 42.94 2wbk s PHE 556 CO 0.01 -0.48 1.16 0.41 -0.05 0.00 0.00 175.22 176.26 2wbk n GLY 557 N 0.03 0.24 3.62 1.99 0.00 -1.26 0.38 105.19 110.20 2wbk n GLY 557 Ca -0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 2wbk n GLY 557 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wbk s PHE 558 N -2.12 -0.74 0.47 1.61 5.36 -1.26 -4.46 117.98 116.85 2wbk s PHE 558 Ca 0.27 1.77 -0.13 0.00 -0.96 0.00 0.00 56.93 57.88 2wbk s PHE 558 Cb -0.01 0.29 -0.07 0.00 -0.34 0.00 0.00 43.02 42.90 2wbk s PHE 558 CO -0.01 -0.38 0.88 -0.65 -1.46 0.00 0.00 175.22 173.61 2wbk s GLN 559 N 0.24 3.83 -0.13 10.12 -0.21 -1.26 -4.33 119.66 127.92 2wbk s GLN 559 Ca -0.00 0.68 -0.14 0.00 0.02 0.00 0.00 55.36 55.92 2wbk s GLN 559 Cb -0.05 -2.26 0.04 0.00 1.00 0.00 0.00 33.01 31.74 2wbk s GLN 559 CO 0.01 -0.18 0.39 -1.54 -2.12 0.00 0.00 175.29 171.84 2wbk s SER 560 N -3.24 -0.39 0.29 5.90 1.04 0.74 -4.78 113.70 113.27 2wbk s SER 560 Ca 0.55 0.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.38 2wbk s SER 560 Cb -0.10 0.73 -0.11 0.00 0.10 0.00 0.00 66.02 66.65 2wbk s SER 560 CO 0.34 -0.18 1.47 -0.36 0.98 0.00 0.00 173.24 175.48 2wbk s PHE 561 N -0.01 2.88 0.83 5.02 0.08 -1.26 -2.68 117.98 122.83 2wbk s PHE 561 Ca -0.02 1.04 -0.11 0.00 0.12 0.00 0.00 56.93 57.96 2wbk s PHE 561 Cb -0.03 -3.90 0.09 0.00 -0.57 0.00 0.00 43.02 38.61 2wbk s PHE 561 CO 0.01 -2.85 1.09 -1.25 -0.10 0.00 0.00 175.22 172.13 2wbk s PRO 562 N -0.91 1.83 1.07 0.24 0.04 -1.26 -4.72 135.00 131.29 2wbk s PRO 562 Ca 0.58 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 2wbk s PRO 562 Cb -0.44 -1.88 0.22 0.00 0.04 0.00 0.00 34.50 32.44 2wbk s PRO 562 CO 0.49 -1.84 0.97 -0.85 0.04 0.00 0.00 177.00 175.81 2wbk n GLU 563 N -3.60 -1.62 0.00 4.56 0.28 -1.26 -4.60 120.64 114.40 2wbk n GLU 563 Ca 0.07 -0.43 0.01 0.00 -0.16 0.00 0.00 57.16 56.66 2wbk n GLU 563 Cb 0.55 -2.20 0.35 0.00 1.43 0.00 0.00 31.44 31.57 2wbk n GLU 563 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2wbk h MET 564 N -2.33 0.52 -0.41 3.44 2.86 -1.95 -2.38 114.93 114.69 2wbk h MET 564 Ca -0.54 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.01 2wbk h MET 564 Cb 1.31 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2wbk h MET 564 CO 0.45 0.48 0.19 1.57 1.06 0.00 0.00 176.91 180.66 2wbk h LYS 565 N 0.52 0.57 -0.37 1.72 2.10 -1.91 0.80 116.57 120.00 2wbk h LYS 565 Ca 0.12 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 58.57 2wbk h LYS 565 Cb 0.19 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 2wbk h LYS 565 CO -0.01 0.45 -0.35 1.15 -2.00 0.00 0.00 179.45 178.69 2wbk h THR 566 N 0.57 1.28 -0.39 0.07 2.02 -1.76 -2.99 112.91 111.71 2wbk h THR 566 Ca 0.14 -1.51 -0.11 0.00 0.77 0.00 0.00 66.41 65.70 2wbk h THR 566 Cb 0.07 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2wbk h THR 566 CO -0.02 0.50 -0.19 0.40 0.37 0.00 0.00 175.52 176.58 2wbk h ILE 567 N 0.70 1.27 0.00 3.11 2.04 -1.23 -1.79 117.51 121.62 2wbk h ILE 567 Ca 0.07 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2wbk h ILE 567 Cb 0.91 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2wbk h ILE 567 CO 0.08 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.66 2wbk n ALA 568 N -2.49 1.48 0.19 1.87 0.00 0.22 -0.93 120.51 120.85 2wbk n ALA 568 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.65 2wbk n ALA 568 Cb 0.41 -1.37 0.18 0.00 0.00 0.00 0.00 19.45 18.67 2wbk n ALA 568 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbk h ALA 569 N 2.19 0.88 0.00 0.00 0.00 -1.17 -3.35 119.26 117.81 2wbk h ALA 569 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wbk h ALA 569 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wbk h ALA 569 CO 0.00 0.26 -0.28 1.97 0.00 0.00 0.00 179.25 181.20 2wbk n PHE 570 N -3.18 0.00 -4.33 0.00 1.16 -0.67 -4.69 117.46 105.75 2wbk n PHE 570 Ca 0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.42 2wbk n PHE 570 Cb 0.58 -0.01 -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 -1.40 0.73 0.50 1.98 0.00 -0.11 -0.58 121.76 122.88 2wbk s ALA 571 Ca 0.01 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.47 2wbk s ALA 571 Cb 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.83 2wbk s ALA 571 CO 0.11 0.15 0.98 0.00 0.00 0.00 0.00 175.76 177.01 2wbk s ALA 572 N -0.02 3.05 0.33 0.00 0.00 -1.26 -4.35 121.76 119.50 2wbk s ALA 572 Ca 0.01 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.26 2wbk s ALA 572 Cb -0.05 -3.13 0.72 0.00 0.00 0.00 0.00 23.12 20.66 2wbk s ALA 572 CO -0.00 -0.20 1.87 -1.35 0.00 0.00 0.00 175.76 176.08 2wbk h PRO 573 N 1.07 0.78 0.00 0.00 0.11 -1.98 0.67 132.00 132.65 2wbk h PRO 573 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wbk h PRO 573 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2wbk h PRO 573 CO 0.61 0.51 0.03 -0.85 -0.21 0.00 0.00 178.00 178.10 2wbk n GLU 574 N -4.57 0.04 -0.22 1.05 0.00 -1.26 -0.95 120.64 114.73 2wbk n GLU 574 Ca 0.17 0.52 0.07 0.00 0.00 0.00 0.00 57.16 57.92 2wbk n GLU 574 Cb 0.41 -1.66 0.19 0.00 0.00 0.00 0.00 31.44 30.37 2wbk n GLU 574 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2wbk n ASP 575 N -1.69 3.15 -3.37 -1.84 8.00 0.23 -4.78 116.55 116.25 2wbk n ASP 575 Ca -0.00 -1.99 -0.32 0.00 0.71 0.00 0.00 54.79 53.18 2wbk n ASP 575 Cb 0.04 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 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 0.78 1.86 -4.32 1.24 4.01 -0.13 -4.67 117.16 115.94 2wbk n TYR 576 Ca 0.15 -2.18 -0.23 0.00 -0.16 0.00 0.00 57.90 55.47 2wbk n TYR 576 Cb 0.47 -1.88 -0.13 0.00 -0.31 0.00 0.00 39.34 37.49 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 3.64 1.11 0.44 -0.72 1.11 -1.26 -4.71 119.66 119.27 2wbk s GLN 577 Ca 0.49 -1.10 0.20 0.00 0.01 0.00 0.00 55.36 54.95 2wbk s GLN 577 Cb 0.13 -1.33 1.15 0.00 -1.01 0.00 0.00 33.01 31.95 2wbk s GLN 577 CO -0.00 0.31 1.87 0.82 0.01 0.00 0.00 175.29 178.30 2wbk h ILE 578 N 4.14 0.67 -0.00 1.08 2.04 -1.97 -2.87 117.51 120.60 2wbk h ILE 578 Ca -0.45 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2wbk h ILE 578 Cb 1.18 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2wbk h ILE 578 CO 0.40 0.06 -0.23 -0.62 0.00 0.00 0.00 178.15 177.77 2wbk n GLU 579 N -4.47 1.44 -1.29 2.37 -0.58 -1.26 -4.63 120.64 112.22 2wbk n GLU 579 Ca 0.18 -2.92 -0.31 0.00 -0.42 0.00 0.00 57.16 53.70 2wbk n GLU 579 Cb 0.72 -1.56 0.09 0.00 -0.57 0.00 0.00 31.44 30.12 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 -3.03 4.48 0.21 1.62 1.04 -1.09 -4.78 113.70 112.15 2wbk s SER 580 Ca 0.35 1.76 -0.10 0.00 0.48 0.00 0.00 55.95 58.45 2wbk s SER 580 Cb 0.32 -2.48 0.23 0.00 0.10 0.00 0.00 66.02 64.20 2wbk s SER 580 CO -0.01 -2.04 1.80 -0.08 0.98 0.00 0.00 173.24 173.88 2wbk h GLU 581 N -1.13 0.63 -0.32 4.02 4.81 -1.92 -0.14 114.58 120.53 2wbk h GLU 581 Ca -0.44 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 2wbk h GLU 581 Cb 1.23 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2wbk h GLU 581 CO 0.52 0.41 0.11 0.28 -0.73 0.00 0.00 179.01 179.61 2wbk h VAL 582 N 0.64 1.19 -0.71 0.32 2.07 -1.91 -0.37 116.25 117.48 2wbk h VAL 582 Ca 0.29 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2wbk h VAL 582 Cb 0.20 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2wbk h VAL 582 CO -0.19 0.21 0.47 -0.03 0.02 0.00 0.00 177.57 178.05 2wbk h MET 583 N 0.36 0.89 -0.35 1.57 1.85 -1.76 -1.82 114.93 115.67 2wbk h MET 583 Ca 0.10 -0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 59.00 2wbk h MET 583 Cb 0.21 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 2wbk h MET 583 CO -0.01 0.59 -0.36 -0.91 -0.40 0.00 0.00 176.91 175.82 2wbk h ASN 584 N 0.91 0.85 0.00 1.39 2.35 -0.49 -1.86 115.58 118.73 2wbk h ASN 584 Ca 0.27 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2wbk h ASN 584 Cb -0.02 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2wbk h ASN 584 CO -0.07 1.13 0.14 0.00 -1.65 0.00 0.00 177.43 176.97 2wbk n ALA 585 N -2.53 0.82 -1.25 -0.83 0.00 -0.20 -1.78 120.51 114.75 2wbk n ALA 585 Ca -0.02 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2wbk n ALA 585 Cb 0.52 -0.97 0.11 0.00 0.00 0.00 0.00 19.45 19.11 2wbk n ALA 585 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wbk n HIS 586 N -1.93 0.00 -3.72 0.00 8.25 -0.72 -4.86 115.22 112.24 2wbk n HIS 586 Ca -0.01 -0.81 -0.29 0.00 -0.26 0.00 0.00 57.72 56.35 2wbk n HIS 586 Cb 0.16 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.33 0.66 0.00 -0.41 2.00 -0.73 -0.75 119.66 118.10 2wbk s GLN 587 Ca 0.26 -0.78 0.21 0.00 -2.00 0.00 0.00 55.36 53.05 2wbk s GLN 587 Cb 0.23 -1.95 0.52 0.00 0.80 0.00 0.00 33.01 32.61 2wbk s GLN 587 CO 0.02 -0.86 1.44 1.63 -0.50 0.00 0.00 175.29 177.03 2wbk n LYS 588 N 4.96 2.30 -3.70 1.67 4.76 -1.26 -4.72 118.16 122.18 2wbk n LYS 588 Ca -0.05 -1.98 -0.38 0.00 -2.87 0.00 0.00 58.31 53.03 2wbk n LYS 588 Cb 0.44 -1.47 -0.12 0.00 -1.84 0.00 0.00 35.03 32.03 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 -1.39 5.40 0.40 4.39 0.15 -1.24 -4.65 113.70 116.76 2wbk s SER 589 Ca 0.37 -0.82 0.26 0.00 0.70 0.00 0.00 55.95 56.46 2wbk s SER 589 Cb 0.21 -1.94 0.66 0.00 -1.71 0.00 0.00 66.02 63.24 2wbk s SER 589 CO 0.29 -0.27 1.72 0.77 1.20 0.00 0.00 173.24 176.95 2wbk h SER 590 N 8.31 0.00 -0.02 5.45 4.64 -1.95 -1.92 113.55 128.06 2wbk h SER 590 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2wbk h SER 590 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wbk h SER 590 CO 0.62 0.00 -0.24 2.30 -0.87 0.00 0.00 176.83 178.64 2wbk n ILE 591 N -2.85 0.00 -0.07 0.95 -6.64 -1.26 -4.72 119.36 104.76 2wbk n ILE 591 Ca 0.04 -0.38 -0.07 0.00 -1.77 0.00 0.00 62.75 60.57 2wbk n ILE 591 Cb 0.45 1.31 -0.01 0.00 -1.44 0.00 0.00 39.64 39.95 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 4.07 0.04 1.13 3.28 0.00 -1.76 -2.30 103.07 107.54 2wbk h GLY 592 Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 2wbk h GLY 592 CO 0.00 -0.17 0.24 3.43 0.00 0.00 0.00 176.54 180.04 2wbk h ASN 593 N -0.13 1.01 0.37 0.19 2.35 -1.85 -0.89 115.58 116.64 2wbk h ASN 593 Ca 0.15 -0.18 -0.16 0.00 -0.55 0.00 0.00 56.30 55.56 2wbk h ASN 593 Cb 0.36 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2wbk h ASN 593 CO -0.37 0.93 -0.67 0.77 -1.65 0.00 0.00 177.43 176.45 2wbk h SER 594 N 1.05 0.31 -0.64 5.81 4.64 -1.88 -1.64 113.55 121.20 2wbk h SER 594 Ca 0.23 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 2wbk h SER 594 Cb 0.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2wbk h SER 594 CO -0.01 0.89 0.04 -0.07 -0.87 0.00 0.00 176.83 176.81 2wbk h LEU 595 N 0.19 1.07 0.10 5.97 3.38 -0.99 0.68 115.31 125.71 2wbk h LEU 595 Ca -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2wbk h LEU 595 Cb 1.21 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2wbk h LEU 595 CO 0.11 1.09 -0.05 0.40 0.09 0.00 0.00 178.44 180.08 2wbk h ILE 596 N 1.01 0.91 -0.63 1.22 2.04 -0.94 -1.72 117.51 119.40 2wbk h ILE 596 Ca 0.19 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 2wbk h ILE 596 Cb 0.52 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2wbk h ILE 596 CO 0.02 0.01 0.37 0.03 0.00 0.00 0.00 178.15 178.58 2wbk h ARG 597 N -0.16 0.87 0.47 2.37 3.08 -1.22 -0.11 114.38 119.68 2wbk h ARG 597 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2wbk h ARG 597 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2wbk h ARG 597 CO 0.02 0.64 -0.50 1.15 -1.07 0.00 0.00 179.97 180.21 2wbk h THR 598 N 0.86 0.00 -0.96 2.04 2.02 -0.77 -2.23 112.91 113.87 2wbk h THR 598 Ca 0.23 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.48 2wbk h THR 598 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.35 2wbk h THR 598 CO -0.04 0.00 0.62 1.88 0.37 0.00 0.00 175.52 178.35 2wbk h TYR 599 N -0.97 1.12 -0.08 3.16 -1.99 -1.22 -3.05 116.97 113.94 2wbk h TYR 599 Ca -0.06 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2wbk h TYR 599 Cb 0.85 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 2wbk h TYR 599 CO -0.27 0.56 0.05 1.98 -0.00 0.00 0.00 178.16 180.48 2wbk h MET 600 N 1.08 0.11 -0.44 4.88 4.05 -0.91 -2.72 114.93 120.98 2wbk h MET 600 Ca 0.43 -0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.96 2wbk h MET 600 Cb 0.25 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 2wbk h MET 600 CO -0.18 0.07 0.31 1.49 0.23 0.00 0.00 176.91 178.84 2wbk h GLU 601 N 0.11 0.04 0.00 0.39 4.81 -1.29 0.37 114.58 119.01 2wbk h GLU 601 Ca 0.03 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2wbk h GLU 601 Cb -0.01 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2wbk h GLU 601 CO -0.01 0.03 -0.08 0.00 -0.73 0.00 0.00 179.01 178.22 2wbk h ARG 602 N 0.05 0.00 0.00 1.92 3.08 -1.48 -3.33 114.38 114.61 2wbk h ARG 602 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2wbk h ARG 602 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2wbk h ARG 602 CO -0.01 0.08 -0.25 -0.25 -1.07 0.00 0.00 179.97 178.47 2wbk n ASP 603 N -3.22 1.25 -4.11 7.04 8.00 -0.65 -4.97 116.55 119.90 2wbk n ASP 603 Ca 0.00 -0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 2wbk n ASP 603 Cb 0.35 0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 41.93 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 -0.82 0.80 -0.25 1.24 2.02 0.12 -0.71 117.35 119.75 2wbk s TYR 604 Ca 0.00 -1.14 -0.17 0.00 -0.37 0.00 0.00 57.07 55.39 2wbk s TYR 604 Cb 0.00 -0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 41.15 2wbk s TYR 604 CO 0.00 -0.60 0.47 0.42 -1.57 0.00 0.00 175.55 174.26 2wbk s ILE 605 N -4.05 5.11 -0.07 2.71 1.01 -1.26 -4.05 121.20 120.60 2wbk s ILE 605 Ca 0.25 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 2wbk s ILE 605 Cb 0.06 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2wbk s ILE 605 CO 0.04 0.13 1.53 -0.63 0.00 0.00 0.00 174.94 176.01 2wbk s ILE 606 N 2.10 3.74 0.62 2.92 1.01 -1.26 -4.90 121.20 125.43 2wbk s ILE 606 Ca 0.20 0.94 -0.16 0.00 0.00 0.00 0.00 60.65 61.62 2wbk s ILE 606 Cb -0.16 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2wbk s ILE 606 CO 0.09 -0.07 1.12 -2.84 0.00 0.00 0.00 174.94 173.24 2wbk s PRO 607 N 3.66 2.97 0.06 2.79 0.02 -1.26 -4.99 135.00 138.25 2wbk s PRO 607 Ca 0.68 1.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.01 2wbk s PRO 607 Cb -0.31 -1.97 -0.19 0.00 0.02 0.00 0.00 34.50 32.05 2wbk s PRO 607 CO 0.26 -1.13 1.22 0.93 -0.33 0.00 0.00 177.00 177.95 2wbk h GLU 608 N 0.40 0.64 -6.84 5.54 4.39 -1.93 -3.44 114.58 113.33 2wbk h GLU 608 Ca -0.48 -0.58 -0.47 0.00 0.34 0.00 0.00 59.36 58.17 2wbk h GLU 608 Cb 1.25 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 2wbk h GLU 608 CO 0.55 1.19 0.20 -1.54 -1.16 0.00 0.00 179.01 178.25 2wbk s SER 609 N -6.97 6.87 0.12 1.42 1.04 -1.26 -4.97 113.70 109.96 2wbk s SER 609 Ca -0.11 1.46 -0.25 0.00 0.48 0.00 0.00 55.95 57.53 2wbk s SER 609 Cb 0.06 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.67 2wbk s SER 609 CO 0.87 -0.24 1.66 0.15 0.98 0.00 0.00 173.24 176.66 2wbk h PHE 610 N 2.24 -0.53 -0.74 5.02 3.57 -1.90 -1.09 116.94 123.51 2wbk h PHE 610 Ca -0.48 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.10 2wbk h PHE 610 Cb 1.18 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 40.09 2wbk h PHE 610 CO 0.62 -0.29 0.43 0.93 -2.23 0.00 0.00 178.31 177.77 2wbk h GLU 611 N -0.34 0.76 -0.53 1.11 3.07 -1.93 -0.04 114.58 116.68 2wbk h GLU 611 Ca 0.05 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2wbk h GLU 611 Cb 0.40 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2wbk h GLU 611 CO -0.17 0.50 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.50 2wbk h ASP 612 N 0.78 0.87 -0.87 1.42 3.32 -1.92 -2.01 116.42 118.01 2wbk h ASP 612 Ca 0.33 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2wbk h ASP 612 Cb 0.20 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2wbk h ASP 612 CO -0.19 0.93 0.44 0.15 -1.72 0.00 0.00 179.24 178.85 2wbk h PHE 613 N 0.83 1.23 -0.18 4.55 3.57 0.27 -0.16 116.94 127.06 2wbk h PHE 613 Ca 0.16 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2wbk h PHE 613 Cb 0.50 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2wbk h PHE 613 CO 0.03 0.88 -0.05 0.28 -2.23 0.00 0.00 178.31 177.22 2wbk h VAL 614 N 1.23 1.29 -0.12 1.41 2.07 -0.91 0.49 116.25 121.71 2wbk h VAL 614 Ca 0.30 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2wbk h VAL 614 Cb 0.09 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2wbk h VAL 614 CO -0.04 0.31 0.01 0.22 0.02 0.00 0.00 177.57 178.08 2wbk h TYR 615 N 0.06 0.00 -0.26 1.57 3.20 -1.09 -1.68 116.97 118.77 2wbk h TYR 615 Ca 0.04 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 2wbk h TYR 615 Cb 0.49 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2wbk h TYR 615 CO 0.05 -0.01 -0.15 0.28 -1.64 0.00 0.00 178.16 176.69 2wbk h VAL 616 N 0.05 1.23 -0.42 1.81 2.07 -0.79 -1.92 116.25 118.28 2wbk h VAL 616 Ca 0.05 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2wbk h VAL 616 Cb 0.06 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2wbk h VAL 616 CO -0.09 0.33 0.15 1.23 0.02 0.00 0.00 177.57 179.22 2wbk h GLY 617 N 0.92 0.64 0.92 2.17 0.00 0.65 0.18 103.07 108.55 2wbk h GLY 617 Ca 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 2wbk h GLY 617 CO 0.03 0.29 -0.37 1.41 0.00 0.00 0.00 176.54 177.90 2wbk h LEU 618 N 0.59 0.67 -0.23 3.11 3.38 -0.60 -1.24 115.31 121.00 2wbk h LEU 618 Ca 0.14 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2wbk h LEU 618 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2wbk h LEU 618 CO -0.01 1.09 0.15 0.58 0.09 0.00 0.00 178.44 180.33 2wbk h VAL 619 N 0.28 1.07 -0.00 1.22 2.07 -0.79 -1.35 116.25 118.75 2wbk h VAL 619 Ca 0.01 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2wbk h VAL 619 Cb 0.97 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2wbk h VAL 619 CO 0.08 0.06 -0.29 0.25 0.02 0.00 0.00 177.57 177.70 2wbk h LEU 620 N 0.30 -0.85 -0.44 2.57 5.85 -0.58 0.29 115.31 122.45 2wbk h LEU 620 Ca 0.08 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2wbk h LEU 620 Cb -0.02 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2wbk h LEU 620 CO -0.02 -0.35 0.14 -0.61 -0.34 0.00 0.00 178.44 177.26 2wbk h GLN 621 N -0.43 0.29 -0.03 1.25 4.15 -1.04 -1.29 115.11 118.00 2wbk h GLN 621 Ca 0.06 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.49 2wbk h GLN 621 Cb 0.52 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 2wbk h GLN 621 CO -0.25 0.20 -0.13 0.78 -1.93 0.00 0.00 178.83 177.50 2wbk h GLY 622 N 0.30 -0.13 1.09 2.39 0.00 -0.81 -2.28 103.07 103.63 2wbk h GLY 622 Ca 0.21 0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.51 2wbk h GLY 622 CO -0.22 -0.13 -0.58 1.46 0.00 0.00 0.00 176.54 177.07 2wbk h GLN 623 N -0.20 0.78 0.32 4.80 1.08 -0.75 -1.47 115.11 119.66 2wbk h GLN 623 Ca 0.06 -0.54 -0.02 0.00 -1.45 0.00 0.00 58.65 56.70 2wbk h GLN 623 Cb 0.28 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2wbk h GLN 623 CO -0.15 1.17 -0.15 0.78 -0.95 0.00 0.00 178.83 179.52 2wbk h GLY 624 N 0.52 -0.44 0.55 3.46 0.00 -1.29 -2.30 103.07 103.57 2wbk h GLY 624 Ca -0.01 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.55 2wbk h GLY 624 CO 0.12 -0.16 0.24 -0.33 0.00 0.00 0.00 176.54 176.41 2wbk h MET 625 N -0.70 0.43 -0.03 4.80 2.86 -1.49 -2.53 114.93 118.28 2wbk h MET 625 Ca -0.04 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2wbk h MET 625 Cb 0.48 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2wbk h MET 625 CO 0.07 0.29 -0.31 0.07 1.06 0.00 0.00 176.91 178.09 2wbk h ARG 626 N 0.44 0.05 -0.69 1.72 -0.00 -1.20 0.45 114.38 115.16 2wbk h ARG 626 Ca 0.26 -0.02 0.11 0.00 -0.00 0.00 0.00 59.98 60.34 2wbk h ARG 626 Cb 0.26 -0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 30.15 2wbk h ARG 626 CO -0.24 0.36 0.28 1.25 -0.00 0.00 0.00 179.97 181.63 2wbk h HIS 627 N 0.05 0.50 0.11 4.08 2.76 -1.00 -0.70 115.15 120.95 2wbk h HIS 627 Ca 0.01 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2wbk h HIS 627 Cb 0.57 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2wbk h HIS 627 CO 0.00 0.12 -0.08 0.78 -1.30 0.00 0.00 177.93 177.45 2wbk h GLY 628 N 0.47 -0.19 0.74 5.26 0.00 -0.65 -2.06 103.07 106.65 2wbk h GLY 628 Ca 0.36 0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.88 2wbk h GLY 628 CO -0.33 -0.09 0.55 1.41 0.00 0.00 0.00 176.54 178.08 2wbk h LEU 629 N -0.20 0.73 -0.06 3.11 3.38 -0.63 -1.81 115.31 119.83 2wbk h LEU 629 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2wbk h LEU 629 Cb 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2wbk h LEU 629 CO -0.01 0.42 -0.05 -0.33 0.09 0.00 0.00 178.44 178.57 2wbk h GLU 630 N 0.80 0.14 -0.87 1.13 5.08 -0.93 -1.94 114.58 117.99 2wbk h GLU 630 Ca 0.40 -0.07 0.22 0.00 -1.00 0.00 0.00 59.36 58.90 2wbk h GLU 630 Cb 0.46 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.58 2wbk h GLU 630 CO -0.16 0.57 0.34 0.00 -1.00 0.00 0.00 179.01 178.75 2wbk h ALA 631 N 0.57 1.35 -0.17 3.43 0.00 -0.92 0.50 119.26 124.02 2wbk h ALA 631 Ca 0.01 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2wbk h ALA 631 Cb 0.54 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wbk h ALA 631 CO 0.01 -0.36 -0.13 0.45 0.00 0.00 0.00 179.25 179.22 2wbk h HIS 632 N 0.35 0.46 -0.05 0.00 3.86 -1.11 -1.53 115.15 117.12 2wbk h HIS 632 Ca 0.54 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2wbk h HIS 632 Cb 1.03 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 2wbk h HIS 632 CO -0.17 0.73 0.02 0.00 0.86 0.00 0.00 177.93 179.37 2wbk h ARG 633 N 0.05 0.05 -0.01 2.45 3.08 -0.91 -3.06 114.38 116.02 2wbk h ARG 633 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2wbk h ARG 633 Cb 0.64 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wbk h ARG 633 CO 0.03 0.03 0.02 -0.09 -1.07 0.00 0.00 179.97 178.90 2wbk h ARG 634 N 0.05 0.00 -0.55 0.04 2.43 0.12 -2.23 114.38 114.24 2wbk h ARG 634 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2wbk h ARG 634 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wbk h ARG 634 CO -0.02 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.53 2wbk n ASN 635 N -3.62 5.07 -4.75 -3.80 3.02 -0.59 -4.82 115.26 105.77 2wbk n ASN 635 Ca -0.03 -2.75 -0.41 0.00 -0.03 0.00 0.00 54.58 51.37 2wbk n ASN 635 Cb 0.10 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.40 4.39 0.00 3.52 3.52 -0.84 -1.39 118.95 125.76 2wbk s ARG 636 Ca 0.51 2.12 0.23 0.00 -0.13 0.00 0.00 55.73 58.45 2wbk s ARG 636 Cb 0.37 -3.13 0.23 0.00 -1.56 0.00 0.00 34.95 30.85 2wbk s ARG 636 CO 0.18 -0.19 1.26 -0.35 -0.81 0.00 0.00 175.30 175.39 2wbk n PRO 637 N 1.68 2.25 -0.13 5.12 -0.04 -1.26 -4.47 135.00 138.15 2wbk n PRO 637 Ca 0.03 -1.95 -0.04 0.00 -0.04 0.00 0.00 63.50 61.50 2wbk n PRO 637 Cb 0.42 -1.45 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 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 4.48 -0.03 -3.25 0.54 3.20 -1.81 -3.37 116.97 116.73 2wbk h TYR 638 Ca 0.00 0.03 -0.60 0.00 3.14 0.00 0.00 58.73 61.30 2wbk h TYR 638 Cb 0.96 0.08 -0.12 0.00 1.54 0.00 0.00 36.73 39.19 2wbk h TYR 638 CO 0.05 -0.09 -0.47 0.00 -1.64 0.00 0.00 178.16 176.01 2wbk n MET 640 N 3.46 2.71 0.00 0.00 2.81 -0.52 -3.63 117.12 121.94 2wbk n MET 640 Ca -0.16 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.72 2wbk n MET 640 Cb 0.52 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 -0.28 0.90 2.93 3.03 0.00 -1.26 -1.52 105.19 108.99 2wbk n GLY 641 Ca 0.09 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.23 -0.21 2.61 -1.32 0.21 -0.48 115.64 114.21 2wbk s THR 642 Ca 0.00 0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 60.75 2wbk s THR 642 Cb 0.00 -0.34 0.06 0.00 -1.51 0.00 0.00 72.50 70.71 2wbk s THR 642 CO 0.00 0.11 -0.02 -0.76 -2.21 0.00 0.00 174.62 171.74 2wbk s LEU 643 N 1.96 2.00 0.45 9.08 1.43 0.28 -1.40 118.68 132.47 2wbk s LEU 643 Ca -0.02 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 51.96 2wbk s LEU 643 Cb -0.12 -0.95 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 2wbk s LEU 643 CO -0.07 -0.26 0.84 -0.72 0.23 0.00 0.00 176.35 176.37 2wbk s TYR 644 N 1.58 3.48 -0.32 0.29 1.13 -1.02 -2.95 117.35 119.54 2wbk s TYR 644 Ca -0.04 1.15 -0.11 0.00 -1.41 0.00 0.00 57.07 56.66 2wbk s TYR 644 Cb -0.18 -2.54 -0.01 0.00 -1.10 0.00 0.00 41.96 38.13 2wbk s TYR 644 CO -0.07 -0.22 0.20 -0.46 -2.51 0.00 0.00 175.55 172.49 2wbk s TRP 645 N -2.51 3.21 0.09 -3.49 -0.11 0.16 -0.41 118.94 115.87 2wbk s TRP 645 Ca 0.53 -0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.50 2wbk s TRP 645 Cb -0.10 -2.42 -0.04 0.00 -1.50 0.00 0.00 33.47 29.41 2wbk s TRP 645 CO 0.34 -0.39 -0.04 1.14 -4.62 0.00 0.00 176.95 173.38 2wbk s GLN 646 N 1.68 0.77 0.03 5.86 -2.07 -0.94 -4.03 119.66 120.96 2wbk s GLN 646 Ca 0.05 -1.31 -0.23 0.00 -1.82 0.00 0.00 55.36 52.06 2wbk s GLN 646 Cb -0.17 -0.01 -0.16 0.00 -1.09 0.00 0.00 33.01 31.58 2wbk s GLN 646 CO 0.09 -0.08 1.42 1.25 -1.32 0.00 0.00 175.29 176.65 2wbk h LEU 647 N 3.01 0.14 -8.75 2.60 5.85 -1.02 -2.42 115.31 114.72 2wbk h LEU 647 Ca -0.35 -0.35 -0.37 0.00 0.84 0.00 0.00 57.88 57.64 2wbk h LEU 647 Cb 1.16 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 2wbk h LEU 647 CO 0.65 0.46 -0.47 0.54 -0.34 0.00 0.00 178.44 179.28 2wbk s ASN 648 N -5.71 1.15 0.08 1.25 4.22 -1.26 -1.81 114.94 112.85 2wbk s ASN 648 Ca -0.15 -1.61 0.09 0.00 -2.14 0.00 0.00 52.86 49.05 2wbk s ASN 648 Cb 0.04 0.53 -0.03 0.00 1.28 0.00 0.00 41.25 43.07 2wbk s ASN 648 CO 0.70 -1.04 -0.23 -1.81 -2.04 0.00 0.00 177.10 172.68 2wbk s ASP 649 N -3.29 2.75 0.00 3.54 1.01 -1.22 -4.73 116.67 114.73 2wbk s ASP 649 Ca 0.38 -0.63 0.23 0.00 0.71 0.00 0.00 52.55 53.25 2wbk s ASP 649 Cb 0.03 -0.20 0.20 0.00 1.01 0.00 0.00 42.92 43.97 2wbk s ASP 649 CO 0.22 0.15 1.20 -1.54 0.21 0.00 0.00 175.17 175.41 2wbk n SER 650 N 1.43 0.71 -3.66 0.27 3.41 -1.24 -4.50 113.62 110.04 2wbk n SER 650 Ca -0.18 -0.56 -0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2wbk n SER 650 Cb 0.53 0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 65.03 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 -3.00 -0.06 -0.14 7.33 1.48 -1.26 -1.87 118.94 121.42 2wbk s TRP 651 Ca 0.10 -0.13 -0.29 0.00 -1.06 0.00 0.00 56.10 54.71 2wbk s TRP 651 Cb 0.17 0.59 -0.03 0.00 -1.16 0.00 0.00 33.47 33.04 2wbk s TRP 651 CO 0.77 -0.51 1.47 -2.14 -4.06 0.00 0.00 176.95 172.48 2wbk s PRO 652 N -2.70 4.11 0.11 3.25 0.02 -1.26 -4.40 135.00 134.14 2wbk s PRO 652 Ca 0.15 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 62.73 2wbk s PRO 652 Cb 0.02 -3.90 0.08 0.00 0.02 0.00 0.00 34.50 30.71 2wbk s PRO 652 CO -0.01 -0.89 0.96 0.54 -0.33 0.00 0.00 177.00 177.27 2wbk s VAL 653 N 4.06 0.00 0.05 3.83 0.11 -1.26 -4.96 120.40 122.23 2wbk s VAL 653 Ca 0.65 -0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 2wbk s VAL 653 Cb -0.26 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.79 2wbk s VAL 653 CO 0.23 0.00 0.96 -0.69 -3.33 0.00 0.00 175.10 172.27 2wbk s VAL 654 N -3.21 4.70 0.16 2.04 1.01 0.07 -4.40 120.40 120.76 2wbk s VAL 654 Ca 0.11 2.05 -0.06 0.00 0.00 0.00 0.00 61.98 64.08 2wbk s VAL 654 Cb -0.01 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.08 2wbk s VAL 654 CO -0.01 0.24 0.31 -1.54 0.00 0.00 0.00 175.10 174.10 2wbk n SER 655 N 3.35 -0.89 -0.25 3.32 3.41 -1.09 -4.69 113.62 116.78 2wbk n SER 655 Ca 0.04 -1.64 0.14 0.00 -0.26 0.00 0.00 58.87 57.15 2wbk n SER 655 Cb 0.50 1.49 0.67 0.00 -0.26 0.00 0.00 64.21 66.61 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 -0.21 0.02 -1.46 7.33 8.01 -1.26 -0.18 117.44 129.69 2wbk n TRP 656 Ca -0.03 -0.01 -0.33 0.00 -1.31 0.00 0.00 57.50 55.82 2wbk n TRP 656 Cb 0.23 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.62 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 -1.91 4.48 0.04 -0.99 1.04 -1.24 -2.21 113.70 112.90 2wbk s SER 657 Ca 0.40 2.10 0.23 0.00 0.48 0.00 0.00 55.95 59.17 2wbk s SER 657 Cb 0.20 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.95 2wbk s SER 657 CO 0.33 -2.06 1.16 -1.54 0.98 0.00 0.00 173.24 172.11 2wbk n SER 658 N -2.89 0.63 -3.94 7.02 3.41 -0.91 -4.85 113.62 112.08 2wbk n SER 658 Ca 0.11 -0.27 -0.22 0.00 -0.26 0.00 0.00 58.87 58.23 2wbk n SER 658 Cb 0.52 0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 64.88 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 -3.11 0.80 0.82 -1.33 1.01 -0.75 -0.56 121.20 118.07 2wbk s ILE 659 Ca 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 2wbk s ILE 659 Cb 0.15 -0.78 0.13 0.00 0.01 0.00 0.00 42.46 41.98 2wbk s ILE 659 CO 0.77 0.29 1.14 1.51 0.00 0.00 0.00 174.94 178.65 2wbk s ASP 660 N 0.88 4.04 0.54 3.58 1.47 -0.93 -3.41 116.67 122.85 2wbk s ASP 660 Ca -0.11 0.25 0.21 0.00 1.18 0.00 0.00 52.55 54.07 2wbk s ASP 660 Cb -0.15 -0.59 1.43 0.00 -0.34 0.00 0.00 42.92 43.27 2wbk s ASP 660 CO 0.01 -2.12 2.15 0.22 0.68 0.00 0.00 175.17 176.11 2wbk h TYR 661 N -1.03 0.00 -0.12 2.11 3.20 -1.80 0.90 116.97 120.23 2wbk h TYR 661 Ca -0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2wbk h TYR 661 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2wbk h TYR 661 CO -0.34 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 176.84 2wbk n TYR 662 N -4.32 0.15 -0.40 -3.82 4.01 -1.26 -4.89 117.16 106.63 2wbk n TYR 662 Ca -0.01 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2wbk n TYR 662 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.01 0.79 3.65 2.72 0.00 0.31 -3.85 105.19 109.81 2wbk n GLY 663 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.99 6.63 0.11 1.61 0.01 -1.26 -4.76 114.94 114.30 2wbk s ASN 664 Ca 0.00 2.09 -0.31 0.00 -0.71 0.00 0.00 52.86 53.93 2wbk s ASN 664 Cb 0.00 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 39.03 2wbk s ASN 664 CO 0.00 -0.97 1.74 0.26 -1.51 0.00 0.00 177.10 176.61 2wbk s TRP 665 N 4.22 2.35 0.79 2.20 0.52 -1.26 -2.19 118.94 125.58 2wbk s TRP 665 Ca 0.72 0.17 -0.12 0.00 0.02 0.00 0.00 56.10 56.89 2wbk s TRP 665 Cb -0.31 -4.08 0.07 0.00 -1.15 0.00 0.00 33.47 28.00 2wbk s TRP 665 CO 0.28 -4.35 1.17 0.15 0.02 0.00 0.00 176.95 174.21 2wbk s LYS 666 N 2.51 2.10 0.26 4.98 1.02 0.28 -4.90 119.74 126.00 2wbk s LYS 666 Ca 0.77 0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.93 2wbk s LYS 666 Cb -0.44 -1.96 0.57 0.00 -0.52 0.00 0.00 37.83 35.49 2wbk s LYS 666 CO 0.34 -1.51 1.70 0.00 -0.92 0.00 0.00 175.35 174.96 2wbk h ALA 667 N -1.00 1.19 -0.99 5.17 0.00 -1.85 0.15 119.26 121.93 2wbk h ALA 667 Ca -0.46 0.15 0.24 0.00 0.00 0.00 0.00 54.91 54.84 2wbk h ALA 667 Cb 1.32 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 2wbk h ALA 667 CO 0.66 -0.29 0.56 1.25 0.00 0.00 0.00 179.25 181.43 2wbk h LEU 668 N 0.39 0.63 -0.40 0.00 5.85 -1.85 -0.62 115.31 119.30 2wbk h LEU 668 Ca 0.48 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 59.25 2wbk h LEU 668 Cb 0.83 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2wbk h LEU 668 CO -0.49 0.10 -0.08 -0.74 -0.34 0.00 0.00 178.44 176.89 2wbk h HIS 669 N 0.56 0.84 -0.78 1.25 2.76 -0.78 0.18 115.15 119.18 2wbk h HIS 669 Ca 0.63 -0.17 0.05 0.00 -2.20 0.00 0.00 60.37 58.68 2wbk h HIS 669 Cb 1.18 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.88 2wbk h HIS 669 CO -0.03 0.87 0.47 1.88 -1.30 0.00 0.00 177.93 179.83 2wbk h TYR 670 N 0.56 0.88 -0.07 5.26 0.05 -1.38 -1.42 116.97 120.86 2wbk h TYR 670 Ca 0.10 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.75 2wbk h TYR 670 Cb 0.59 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2wbk h TYR 670 CO 0.05 0.45 -0.67 1.96 -1.05 0.00 0.00 178.16 178.91 2wbk h GLN 671 N 0.88 0.29 -0.61 4.88 1.08 -0.76 -1.65 115.11 119.21 2wbk h GLN 671 Ca 0.34 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2wbk h GLN 671 Cb 0.14 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 2wbk h GLN 671 CO -0.16 0.85 0.35 0.00 -0.95 0.00 0.00 178.83 178.92 2wbk h ALA 672 N 1.10 0.77 -0.17 3.87 0.00 -0.26 0.60 119.26 125.18 2wbk h ALA 672 Ca -0.02 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wbk h ALA 672 Cb 1.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2wbk h ALA 672 CO 0.11 0.27 -0.09 -0.22 0.00 0.00 0.00 179.25 179.31 2wbk h LYS 673 N 0.82 -0.08 -0.35 0.00 3.64 -0.92 0.27 116.57 119.95 2wbk h LYS 673 Ca 0.22 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2wbk h LYS 673 Cb 0.01 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2wbk h LYS 673 CO -0.04 -0.05 0.12 0.00 -2.27 0.00 0.00 179.45 177.21 2wbk h ARG 674 N -0.08 0.55 0.00 1.90 3.08 -1.19 -2.02 114.38 116.60 2wbk h ARG 674 Ca 0.10 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wbk h ARG 674 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2wbk h ARG 674 CO -0.22 0.56 0.00 0.00 -1.07 0.00 0.00 179.97 179.24 2wbk h ALA 675 N 0.96 1.00 -0.02 0.04 0.00 -0.54 -2.63 119.26 118.07 2wbk h ALA 675 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wbk h ALA 675 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wbk h ALA 675 CO -0.00 0.00 -0.07 1.19 0.00 0.00 0.00 179.25 180.37 2wbk n PHE 676 N -2.71 0.00 -1.59 0.00 3.72 0.92 -4.81 117.46 112.99 2wbk n PHE 676 Ca 0.02 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.91 2wbk n PHE 676 Cb 0.30 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.79 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 0.91 -0.73 -0.41 4.37 0.00 -0.79 -4.83 120.51 119.03 2wbk n ALA 677 Ca 0.14 0.49 0.36 0.00 0.00 0.00 0.00 53.44 54.43 2wbk n ALA 677 Cb 0.53 -2.08 0.69 0.00 0.00 0.00 0.00 19.45 18.59 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 4.20 0.10 -4.43 0.00 0.11 -1.92 -3.33 132.00 126.74 2wbk h PRO 678 Ca -0.46 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 2wbk h PRO 678 Cb 1.33 -0.02 -0.37 0.00 0.11 0.00 0.00 31.00 32.05 2wbk h PRO 678 CO 0.76 0.07 -0.82 0.08 -0.21 0.00 0.00 178.00 177.88 2wbk s VAL 679 N -5.13 1.29 -0.07 3.15 1.01 -1.26 -0.24 120.40 119.14 2wbk s VAL 679 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2wbk s VAL 679 Cb 0.26 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2wbk s VAL 679 CO 0.82 0.39 -0.16 -0.22 0.00 0.00 0.00 175.10 175.93 2wbk s LEU 680 N 1.60 1.82 -0.23 3.92 2.96 -0.33 -4.87 118.68 123.55 2wbk s LEU 680 Ca 0.05 -0.38 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 2wbk s LEU 680 Cb -0.13 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 2wbk s LEU 680 CO -0.09 0.09 0.65 -0.63 -1.32 0.00 0.00 176.35 175.05 2wbk s ILE 681 N 0.47 4.98 -0.55 6.68 1.01 -1.26 -1.64 121.20 130.89 2wbk s ILE 681 Ca -0.14 1.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.70 2wbk s ILE 681 Cb -0.16 -3.96 0.14 0.00 0.01 0.00 0.00 42.46 38.49 2wbk s ILE 681 CO 0.05 0.05 0.34 0.21 0.00 0.00 0.00 174.94 175.59 2wbk s ASN 682 N 1.35 5.04 0.14 3.58 3.04 0.45 -4.75 114.94 123.79 2wbk s ASN 682 Ca 0.28 -2.68 -0.30 0.00 0.04 0.00 0.00 52.86 50.20 2wbk s ASN 682 Cb -0.16 -1.80 -0.08 0.00 -1.54 0.00 0.00 41.25 37.68 2wbk s ASN 682 CO 0.09 -0.38 1.28 -2.16 -3.04 0.00 0.00 177.10 172.89 2wbk s PRO 683 N 0.19 4.40 -0.13 0.43 0.04 -1.26 -1.72 135.00 136.95 2wbk s PRO 683 Ca 0.15 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 2wbk s PRO 683 Cb -0.22 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.11 2wbk s PRO 683 CO -0.03 -0.27 -0.01 -1.50 0.04 0.00 0.00 177.00 175.23 2wbk s ILE 684 N 0.58 0.66 -0.22 0.56 1.10 -0.08 -4.99 121.20 118.81 2wbk s ILE 684 Ca 0.59 -0.27 -0.07 0.00 -0.51 0.00 0.00 60.65 60.39 2wbk s ILE 684 Cb -0.34 -0.89 -0.03 0.00 0.15 0.00 0.00 42.46 41.35 2wbk s ILE 684 CO 0.33 0.12 0.05 -1.58 -2.11 0.00 0.00 174.94 171.75 2wbk s GLN 685 N 1.83 3.71 -0.08 3.50 0.74 -1.26 -1.07 119.66 127.03 2wbk s GLN 685 Ca 0.03 -0.46 -0.12 0.00 0.05 0.00 0.00 55.36 54.85 2wbk s GLN 685 Cb -0.14 -3.22 0.03 0.00 1.10 0.00 0.00 33.01 30.77 2wbk s GLN 685 CO -0.07 -0.03 0.32 -0.65 -0.55 0.00 0.00 175.29 174.31 2wbk s GLN 686 N 1.17 0.49 -1.15 1.67 -0.21 -0.41 -4.97 119.66 116.24 2wbk s GLN 686 Ca 0.04 0.20 -0.05 0.00 0.02 0.00 0.00 55.36 55.57 2wbk s GLN 686 Cb -0.14 0.23 -0.03 0.00 1.00 0.00 0.00 33.01 34.06 2wbk s GLN 686 CO 0.03 -0.10 0.89 0.09 -2.12 0.00 0.00 175.29 174.09 2wbk n ASN 687 N 2.29 -4.10 -0.81 5.90 3.02 -1.26 -1.77 115.26 118.53 2wbk n ASN 687 Ca -0.16 -0.73 -0.06 0.00 -0.03 0.00 0.00 54.58 53.59 2wbk n ASN 687 Cb 0.57 -4.80 -0.03 0.00 -0.61 0.00 0.00 39.78 34.92 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 -3.11 -2.85 -4.32 6.41 4.64 -1.26 -4.91 116.55 111.14 2wbk n ASP 688 Ca -0.18 0.16 -0.26 0.00 -1.38 0.00 0.00 54.79 53.13 2wbk n ASP 688 Cb 0.64 -2.42 -0.13 0.00 -1.04 0.00 0.00 41.12 38.17 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 -1.55 2.85 -0.11 1.67 0.15 -0.73 -0.90 113.70 115.08 2wbk s SER 689 Ca 0.00 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 55.99 2wbk s SER 689 Cb 0.00 -0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2wbk s SER 689 CO 0.00 0.12 -0.20 -0.22 1.20 0.00 0.00 173.24 174.14 2wbk s LEU 690 N -1.85 2.29 0.37 3.45 2.96 -0.50 -1.29 118.68 124.10 2wbk s LEU 690 Ca 0.10 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 2wbk s LEU 690 Cb -0.10 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 2wbk s LEU 690 CO 0.05 0.15 0.10 -0.44 -1.32 0.00 0.00 176.35 174.88 2wbk s SER 691 N 0.40 4.36 -0.07 3.68 0.01 -0.23 -1.80 113.70 120.05 2wbk s SER 691 Ca -0.15 -0.98 -0.01 0.00 1.31 0.00 0.00 55.95 56.12 2wbk s SER 691 Cb -0.17 -0.56 0.03 0.00 0.21 0.00 0.00 66.02 65.53 2wbk s SER 691 CO 0.07 -0.36 -0.01 -0.69 0.41 0.00 0.00 173.24 172.66 2wbk s VAL 692 N -2.53 0.44 -0.01 3.43 1.01 0.34 -0.90 120.40 122.17 2wbk s VAL 692 Ca 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2wbk s VAL 692 Cb 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2wbk s VAL 692 CO 0.21 0.26 0.08 -0.31 0.00 0.00 0.00 175.10 175.34 2wbk s TYR 693 N 1.80 3.29 -0.24 5.22 2.02 -0.70 -0.36 117.35 128.38 2wbk s TYR 693 Ca 0.03 0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.89 2wbk s TYR 693 Cb -0.13 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 2wbk s TYR 693 CO -0.05 0.55 0.00 -0.51 -1.57 0.00 0.00 175.55 173.98 2wbk s LEU 694 N -1.69 3.15 -0.16 -1.29 1.43 0.04 -0.41 118.68 119.76 2wbk s LEU 694 Ca 0.22 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2wbk s LEU 694 Cb -0.12 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.31 2wbk s LEU 694 CO 0.13 -0.04 -0.15 -0.63 0.23 0.00 0.00 176.35 175.90 2wbk s ILE 695 N 1.52 1.65 -0.04 -0.59 1.01 -0.65 -1.19 121.20 122.91 2wbk s ILE 695 Ca 0.06 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.05 2wbk s ILE 695 Cb -0.15 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2wbk s ILE 695 CO -0.01 0.44 -0.25 -0.55 0.00 0.00 0.00 174.94 174.57 2wbk s SER 696 N 1.45 3.08 -0.07 3.58 0.15 -0.24 -1.18 113.70 120.47 2wbk s SER 696 Ca 0.04 -0.49 0.13 0.00 0.70 0.00 0.00 55.95 56.33 2wbk s SER 696 Cb -0.13 -0.66 0.38 0.00 -1.71 0.00 0.00 66.02 63.89 2wbk s SER 696 CO -0.11 0.27 1.31 0.47 1.20 0.00 0.00 173.24 176.38 2wbk n ASP 697 N 2.76 3.25 -4.79 5.45 8.00 0.66 -2.96 116.55 128.93 2wbk n ASP 697 Ca -0.17 -2.41 -0.34 0.00 0.71 0.00 0.00 54.79 52.58 2wbk n ASP 697 Cb 0.52 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.73 3.57 0.18 -1.24 0.52 -1.26 -4.76 118.95 114.22 2wbk s ARG 698 Ca 0.30 1.39 0.26 0.00 -0.52 0.00 0.00 55.73 57.15 2wbk s ARG 698 Cb 0.20 -2.06 0.90 0.00 0.52 0.00 0.00 34.95 34.52 2wbk s ARG 698 CO 0.12 -0.63 1.78 1.28 0.02 0.00 0.00 175.30 177.87 2wbk n LEU 699 N -1.30 0.63 -4.68 2.53 4.77 -1.26 -2.68 117.00 115.00 2wbk n LEU 699 Ca 0.10 0.58 -0.26 0.00 -0.03 0.00 0.00 56.01 56.39 2wbk n LEU 699 Cb 0.52 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2wbk n LEU 699 CO 0.42 -0.22 -0.32 1.51 -1.33 0.00 0.00 177.39 177.45 2wbk s ASP 700 N -4.18 4.85 -0.21 -1.43 -4.77 -1.26 -4.79 116.67 104.88 2wbk s ASP 700 Ca 0.10 -0.38 -0.19 0.00 -3.30 0.00 0.00 52.55 48.78 2wbk s ASP 700 Cb 0.13 -1.06 -0.03 0.00 -1.09 0.00 0.00 42.92 40.87 2wbk s ASP 700 CO 0.54 0.08 0.56 -0.89 0.70 0.00 0.00 175.17 176.17 2wbk s THR 701 N -1.76 5.06 -0.07 2.11 2.01 -1.26 -3.82 115.64 117.91 2wbk s THR 701 Ca 0.28 1.04 -0.21 0.00 0.31 0.00 0.00 61.69 63.10 2wbk s THR 701 Cb -0.09 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2wbk s THR 701 CO 0.19 0.13 0.62 -0.04 -0.69 0.00 0.00 174.62 174.83 2wbk s MET 702 N 1.89 4.39 0.28 4.92 1.00 -0.55 -4.96 119.30 126.27 2wbk s MET 702 Ca 0.25 0.73 0.07 0.00 0.00 0.00 0.00 55.69 56.75 2wbk s MET 702 Cb -0.16 -3.43 -0.06 0.00 0.00 0.00 0.00 34.83 31.19 2wbk s MET 702 CO 0.10 0.15 -0.07 -1.83 0.00 0.00 0.00 175.02 173.36 2wbk s GLU 703 N 0.57 1.55 -1.29 2.03 -1.05 -1.26 0.00 118.70 119.26 2wbk s GLU 703 Ca 0.33 -1.78 -0.04 0.00 -0.15 0.00 0.00 54.97 53.33 2wbk s GLU 703 Cb -0.17 -1.19 0.01 0.00 -0.44 0.00 0.00 34.13 32.34 2wbk s GLU 703 CO 0.16 0.05 0.99 0.00 0.95 0.00 0.00 175.26 177.41 2wbk n GLN 704 N -0.58 -6.57 -3.50 -4.83 0.00 -1.09 -4.20 117.38 96.61 2wbk n GLN 704 Ca -0.06 0.78 -0.26 0.00 0.00 0.00 0.00 57.00 57.46 2wbk n GLN 704 Cb 0.63 -5.71 -0.02 0.00 0.00 0.00 0.00 30.24 25.13 2wbk n GLN 704 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2wbk s MET 705 N -5.83 3.54 -0.13 2.61 -1.94 0.43 -1.18 119.30 116.79 2wbk s MET 705 Ca 0.21 -0.26 -0.00 0.00 -1.71 0.00 0.00 55.69 53.93 2wbk s MET 705 Cb -0.10 -2.73 0.03 0.00 2.01 0.00 0.00 34.83 34.04 2wbk s MET 705 CO 0.75 0.27 -0.10 0.99 -0.01 0.00 0.00 175.02 176.92 2wbk s THR 706 N -2.08 1.27 -0.08 2.05 2.01 0.37 -0.98 115.64 118.21 2wbk s THR 706 Ca 0.40 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 2wbk s THR 706 Cb -0.10 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 2wbk s THR 706 CO 0.32 0.38 0.38 -0.22 -0.69 0.00 0.00 174.62 174.79 2wbk s LEU 707 N 1.60 4.36 -0.02 4.42 2.96 0.18 -0.80 118.68 131.37 2wbk s LEU 707 Ca 0.04 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 2wbk s LEU 707 Cb -0.13 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.04 2wbk s LEU 707 CO -0.09 0.19 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.42 2wbk s GLU 708 N -0.25 0.32 0.07 1.98 2.12 -0.28 -0.07 118.70 122.57 2wbk s GLU 708 Ca 0.22 0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.59 2wbk s GLU 708 Cb -0.15 -0.44 -0.03 0.00 0.26 0.00 0.00 34.13 33.77 2wbk s GLU 708 CO 0.10 -0.08 -0.08 -1.64 -0.54 0.00 0.00 175.26 173.01 2wbk s MET 709 N 0.74 0.68 -0.09 4.30 -1.94 -0.76 -1.34 119.30 120.89 2wbk s MET 709 Ca -0.07 -0.99 -0.17 0.00 -1.71 0.00 0.00 55.69 52.74 2wbk s MET 709 Cb -0.11 -0.35 0.04 0.00 2.01 0.00 0.00 34.83 36.42 2wbk s MET 709 CO -0.01 0.05 0.42 -1.59 -0.01 0.00 0.00 175.02 173.87 2wbk s LYS 710 N -2.38 0.64 0.10 2.03 -2.85 -0.90 -1.12 119.74 115.26 2wbk s LYS 710 Ca -0.01 0.25 -0.23 0.00 -1.00 0.00 0.00 55.97 54.99 2wbk s LYS 710 Cb -0.05 0.30 -0.07 0.00 -2.06 0.00 0.00 37.83 35.95 2wbk s LYS 710 CO -0.01 -0.14 0.69 0.08 0.10 0.00 0.00 175.35 176.07 2wbk s VAL 711 N -0.55 4.60 -0.05 1.79 1.01 -1.26 -1.03 120.40 124.92 2wbk s VAL 711 Ca -0.07 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 2wbk s VAL 711 Cb -0.03 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2wbk s VAL 711 CO 0.03 0.50 0.09 -0.69 0.00 0.00 0.00 175.10 175.03 2wbk s VAL 712 N -0.86 -0.06 0.83 2.92 1.01 -0.46 -1.31 120.40 122.46 2wbk s VAL 712 Ca 0.33 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 2wbk s VAL 712 Cb -0.21 -0.17 0.14 0.00 0.00 0.00 0.00 36.38 36.14 2wbk s VAL 712 CO 0.22 0.09 1.16 1.51 0.00 0.00 0.00 175.10 178.08 2wbk s ASP 713 N 1.20 3.92 0.00 3.32 1.47 -0.22 -0.85 116.67 125.51 2wbk s ASP 713 Ca -0.08 0.20 0.05 0.00 1.18 0.00 0.00 52.55 53.90 2wbk s ASP 713 Cb -0.12 -0.50 0.31 0.00 -0.34 0.00 0.00 42.92 42.27 2wbk s ASP 713 CO -0.05 -2.19 0.87 0.49 0.68 0.00 0.00 175.17 174.97 2wbk n PHE 714 N -3.31 0.00 0.15 2.11 3.72 -0.92 -1.36 117.46 117.85 2wbk n PHE 714 Ca 0.13 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.54 2wbk n PHE 714 Cb 0.60 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.63 0.65 0.00 4.37 10.43 -1.26 -1.29 116.55 128.82 2wbk n ASP 715 Ca 0.04 -0.83 0.00 0.00 2.57 0.00 0.00 54.79 56.57 2wbk n ASP 715 Cb 0.02 0.56 0.00 0.00 1.84 0.00 0.00 41.12 43.53 2wbk n ASP 715 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wbk n GLY 716 N 0.68 0.53 3.68 0.44 0.00 -0.46 -4.82 105.19 105.24 2wbk n GLY 716 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wbk n GLY 716 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbk s LYS 717 N -0.65 4.27 0.11 1.61 1.02 -1.26 -4.73 119.74 120.11 2wbk s LYS 717 Ca 0.00 1.94 -0.31 0.00 0.02 0.00 0.00 55.97 57.62 2wbk s LYS 717 Cb 0.00 -3.64 -0.08 0.00 -0.52 0.00 0.00 37.83 33.60 2wbk s LYS 717 CO 0.00 -0.61 1.36 0.99 -0.92 0.00 0.00 175.35 176.17 2wbk s THR 718 N 2.69 3.40 -0.23 2.17 2.01 -1.26 -1.06 115.64 123.36 2wbk s THR 718 Ca 0.63 1.01 -0.11 0.00 0.31 0.00 0.00 61.69 63.54 2wbk s THR 718 Cb -0.30 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2wbk s THR 718 CO 0.25 0.08 0.17 -0.76 -0.69 0.00 0.00 174.62 173.67 2wbk s LEU 719 N 1.04 4.14 0.00 4.42 2.01 -0.43 -4.94 118.68 124.92 2wbk s LEU 719 Ca 0.63 0.15 0.00 0.00 0.01 0.00 0.00 54.13 54.93 2wbk s LEU 719 Cb -0.36 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 43.72 2wbk s LEU 719 CO 0.30 0.08 0.00 0.61 1.01 0.00 0.00 176.35 178.36 2wbk n GLY 720 N 4.12 -1.19 3.94 -3.19 0.00 -1.26 -4.17 105.19 103.44 2wbk n GLY 720 Ca -0.15 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 2wbk n GLY 720 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wbk s LYS 721 N 0.00 2.77 0.64 1.61 2.36 -1.26 -4.97 119.74 120.89 2wbk s LYS 721 Ca 0.00 -0.36 -0.17 0.00 -2.55 0.00 0.00 55.97 52.88 2wbk s LYS 721 Cb 0.00 -2.39 -0.03 0.00 -1.05 0.00 0.00 37.83 34.36 2wbk s LYS 721 CO 0.00 -0.66 0.97 1.63 1.55 0.00 0.00 175.35 178.84 2wbk n LYS 722 N -2.43 0.77 -4.11 4.03 5.02 -1.26 -4.76 118.16 115.42 2wbk n LYS 722 Ca 0.05 0.31 -0.31 0.00 -2.02 0.00 0.00 58.31 56.34 2wbk n LYS 722 Cb 0.58 -2.20 -0.07 0.00 -0.02 0.00 0.00 35.03 33.32 2wbk n LYS 722 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wbk s ILE 723 N -1.60 4.27 -0.07 -0.18 1.01 -0.28 -4.98 121.20 119.37 2wbk s ILE 723 Ca 0.76 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 2wbk s ILE 723 Cb -0.39 -3.03 0.04 0.00 0.01 0.00 0.00 42.46 39.09 2wbk s ILE 723 CO 0.47 0.15 0.16 -1.10 0.00 0.00 0.00 174.94 174.63 2wbk s GLN 724 N -2.25 0.11 -0.18 2.79 -1.52 -1.26 -1.82 119.66 115.52 2wbk s GLN 724 Ca 0.26 0.40 -0.00 0.00 -1.95 0.00 0.00 55.36 54.07 2wbk s GLN 724 Cb -0.12 -0.17 0.04 0.00 -0.22 0.00 0.00 33.01 32.54 2wbk s GLN 724 CO 0.19 -0.17 -0.06 0.08 -0.25 0.00 0.00 175.29 175.08 2wbk s VAL 725 N 1.21 1.26 0.40 1.09 1.01 0.89 -5.00 120.40 121.26 2wbk s VAL 725 Ca -0.09 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.20 2wbk s VAL 725 Cb -0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2wbk s VAL 725 CO -0.06 0.11 0.36 -1.00 0.00 0.00 0.00 175.10 174.51 2wbk s HIS 726 N 1.56 2.73 -0.87 5.22 3.76 -1.26 -0.65 115.29 125.78 2wbk s HIS 726 Ca -0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2wbk s HIS 726 Cb -0.16 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.42 2wbk s HIS 726 CO -0.08 -0.07 0.00 0.43 -0.85 0.00 0.00 174.74 174.17 2wbk n SER 727 N -1.51 -4.80 -4.72 1.40 7.64 -1.04 -4.95 113.62 105.63 2wbk n SER 727 Ca 0.03 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 2wbk n SER 727 Cb 0.61 -3.03 -0.03 0.00 -1.01 0.00 0.00 64.21 60.76 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 -1.87 4.39 -0.18 -3.43 1.43 -0.15 -4.57 118.68 114.29 2wbk s LEU 728 Ca 0.00 2.20 -0.09 0.00 -1.03 0.00 0.00 54.13 55.21 2wbk s LEU 728 Cb 0.00 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2wbk s LEU 728 CO 0.00 -0.52 0.12 -0.70 0.23 0.00 0.00 176.35 175.48 2wbk s GLU 729 N 0.72 4.04 -0.63 1.70 2.12 -1.26 -0.43 118.70 124.96 2wbk s GLU 729 Ca 0.59 -0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.64 2wbk s GLU 729 Cb -0.33 -3.34 0.16 0.00 0.26 0.00 0.00 34.13 30.88 2wbk s GLU 729 CO 0.32 0.36 0.47 0.08 -0.54 0.00 0.00 175.26 175.94 2wbk s VAL 730 N 0.17 4.00 0.71 3.70 1.01 0.10 -5.01 120.40 125.08 2wbk s VAL 730 Ca 0.08 -2.73 -0.13 0.00 0.00 0.00 0.00 61.98 59.19 2wbk s VAL 730 Cb -0.11 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.70 2wbk s VAL 730 CO -0.01 -0.88 1.11 -2.84 0.00 0.00 0.00 175.10 172.48 2wbk s PRO 731 N 0.16 2.54 0.18 2.72 0.02 -1.26 -1.48 135.00 137.88 2wbk s PRO 731 Ca 0.16 1.31 -0.33 0.00 0.02 0.00 0.00 61.00 62.16 2wbk s PRO 731 Cb -0.19 -1.92 -0.14 0.00 0.02 0.00 0.00 34.50 32.27 2wbk s PRO 731 CO -0.04 -1.44 1.52 0.00 -0.33 0.00 0.00 177.00 176.70 2wbk n ALA 732 N -2.89 1.15 -3.58 -1.55 0.00 -1.25 -3.42 120.51 108.97 2wbk n ALA 732 Ca 0.10 0.44 -0.23 0.00 0.00 0.00 0.00 53.44 53.75 2wbk n ALA 732 Cb 0.52 -2.31 0.08 0.00 0.00 0.00 0.00 19.45 17.74 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 3.01 -5.11 -4.14 0.00 3.02 -1.09 -4.98 115.26 105.96 2wbk n ASN 733 Ca 0.16 -0.58 -0.12 0.00 -0.03 0.00 0.00 54.58 54.00 2wbk n ASN 733 Cb 0.29 -4.96 -0.11 0.00 -0.61 0.00 0.00 39.78 34.40 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 -3.34 0.73 -0.16 3.41 -4.23 -1.15 -4.97 115.64 105.93 2wbk s THR 734 Ca 0.44 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2wbk s THR 734 Cb -0.20 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.32 2wbk s THR 734 CO 0.74 -0.66 -0.13 -0.44 -0.54 0.00 0.00 174.62 173.59 2wbk s SER 735 N -2.51 3.86 -0.01 3.99 0.01 -1.26 -1.07 113.70 116.71 2wbk s SER 735 Ca 0.05 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2wbk s SER 735 Cb -0.01 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2wbk s SER 735 CO -0.02 0.09 -0.01 -0.54 0.41 0.00 0.00 173.24 173.17 2wbk s LYS 736 N 0.77 0.14 0.25 12.44 1.02 -0.33 -4.97 119.74 129.07 2wbk s LYS 736 Ca -0.05 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 2wbk s LYS 736 Cb -0.15 -0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 36.88 2wbk s LYS 736 CO 0.01 -0.00 0.97 0.00 -0.92 0.00 0.00 175.35 175.41 2wbk n VAL 738 N 1.42 0.00 -3.69 0.00 0.24 0.51 -4.94 118.33 111.88 2wbk n VAL 738 Ca -0.02 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 2wbk n VAL 738 Cb 0.47 1.12 -0.09 0.00 -1.47 0.00 0.00 33.84 33.87 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 -0.09 -0.60 -0.14 6.34 5.04 -1.21 -4.98 117.35 121.71 2wbk s TYR 739 Ca 0.00 1.46 -0.12 0.00 -2.44 0.00 0.00 57.07 55.98 2wbk s TYR 739 Cb 0.00 0.21 0.04 0.00 0.35 0.00 0.00 41.96 42.56 2wbk s TYR 739 CO 0.00 -0.29 0.36 0.50 -1.34 0.00 0.00 175.55 174.77 2wbk s ARG 740 N 0.26 0.41 -0.25 4.97 3.52 -1.26 -0.51 118.95 126.09 2wbk s ARG 740 Ca -0.00 0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 55.86 2wbk s ARG 740 Cb -0.04 0.17 0.08 0.00 -1.56 0.00 0.00 34.95 33.60 2wbk s ARG 740 CO 0.01 -0.06 0.75 0.00 -0.81 0.00 0.00 175.30 175.18 2wbk s ALA 741 N 0.34 -1.80 0.59 6.12 0.00 -0.74 -5.01 121.76 121.26 2wbk s ALA 741 Ca -0.01 1.93 -0.15 0.00 0.00 0.00 0.00 51.96 53.73 2wbk s ALA 741 Cb -0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2wbk s ALA 741 CO -0.01 -0.33 1.04 -1.59 0.00 0.00 0.00 175.76 174.86 2wbk s LYS 742 N 0.18 3.43 0.06 0.00 0.00 -1.26 -1.41 119.74 120.75 2wbk s LYS 742 Ca -0.01 1.07 -0.00 0.00 0.00 0.00 0.00 55.97 57.03 2wbk s LYS 742 Cb -0.04 -2.05 -0.26 0.00 0.00 0.00 0.00 37.83 35.47 2wbk s LYS 742 CO 0.01 -0.71 1.09 -0.07 0.00 0.00 0.00 175.35 175.67 2wbk h LEU 743 N 0.33 0.28 -9.33 2.77 4.07 -1.38 -3.41 115.31 108.64 2wbk h LEU 743 Ca -0.46 -0.33 -0.53 0.00 0.08 0.00 0.00 57.88 56.64 2wbk h LEU 743 Cb 1.21 -0.09 0.02 0.00 1.08 0.00 0.00 40.66 42.87 2wbk h LEU 743 CO 0.59 1.26 1.23 -0.62 -1.08 0.00 0.00 178.44 179.82 2wbk s ASP 744 N -6.93 6.42 0.00 -0.43 2.15 -1.26 -0.28 116.67 116.34 2wbk s ASP 744 Ca -0.04 2.59 0.00 0.00 0.43 0.00 0.00 52.55 55.54 2wbk s ASP 744 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2wbk s ASP 744 CO 0.86 -1.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 2wbk n GLY 745 N 4.56 0.48 1.10 2.66 0.00 -1.26 -4.86 105.19 107.87 2wbk n GLY 745 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2wbk n GLY 745 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2wbk n TRP 746 N -2.92 -0.08 -4.15 1.61 -0.00 0.61 -5.09 117.44 107.42 2wbk n TRP 746 Ca 0.00 0.01 -0.15 0.00 -0.00 0.00 0.00 57.50 57.36 2wbk n TRP 746 Cb 0.00 0.04 -0.13 0.00 -0.00 0.00 0.00 31.31 31.22 2wbk n TRP 746 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2wbk s LEU 747 N -6.34 2.09 0.76 5.87 1.02 0.19 -5.11 118.68 117.16 2wbk s LEU 747 Ca 0.00 -0.25 -0.12 0.00 0.02 0.00 0.00 54.13 53.79 2wbk s LEU 747 Cb 0.00 -0.26 0.05 0.00 0.02 0.00 0.00 46.19 46.00 2wbk s LEU 747 CO 0.00 -0.02 1.13 0.28 0.02 0.00 0.00 176.35 177.77 2wbk s THR 748 N -0.53 2.75 0.41 5.49 -1.32 -1.26 -4.43 115.64 116.75 2wbk s THR 748 Ca -0.02 0.23 0.10 0.00 -1.21 0.00 0.00 61.69 60.80 2wbk s THR 748 Cb -0.05 -3.24 0.18 0.00 -1.51 0.00 0.00 72.50 67.89 2wbk s THR 748 CO 0.00 -0.31 1.96 -0.65 -2.21 0.00 0.00 174.62 173.41 2wbk h PRO 749 N -0.85 0.24 -0.38 7.08 0.11 -1.99 -2.21 132.00 134.00 2wbk h PRO 749 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2wbk h PRO 749 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2wbk h PRO 749 CO 0.65 0.33 -0.07 1.49 -0.21 0.00 0.00 178.00 180.18 2wbk h GLU 750 N 0.24 0.73 -0.85 1.05 4.81 -1.99 -2.84 114.58 115.72 2wbk h GLU 750 Ca 0.05 -0.27 0.17 0.00 -0.13 0.00 0.00 59.36 59.19 2wbk h GLU 750 Cb 0.28 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.50 2wbk h GLU 750 CO 0.01 0.86 0.40 -0.44 -0.73 0.00 0.00 179.01 179.11 2wbk h ASP 751 N 0.53 0.41 0.83 1.04 5.19 -1.82 -1.79 116.42 120.82 2wbk h ASP 751 Ca 0.10 0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.57 2wbk h ASP 751 Cb 0.58 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 2wbk h ASP 751 CO 0.03 0.12 -0.29 0.00 -3.12 0.00 0.00 179.24 175.98 2wbk n ARG 753 N -3.49 0.55 0.00 0.00 1.74 -0.69 -3.95 116.66 110.81 2wbk n ARG 753 Ca -0.00 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2wbk n ARG 753 Cb 0.45 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.07 0.25 -3.96 5.56 1.74 -0.60 0.11 116.66 118.69 2wbk n ARG 754 Ca 0.13 -0.28 -0.10 0.00 -0.77 0.00 0.00 57.85 56.83 2wbk n ARG 754 Cb 0.29 -0.76 -0.07 0.00 -1.02 0.00 0.00 32.46 30.90 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 -0.12 0.02 0.22 0.55 1.04 -0.73 -2.17 113.70 112.51 2wbk s SER 755 Ca 0.00 -0.87 0.06 0.00 0.48 0.00 0.00 55.95 55.62 2wbk s SER 755 Cb 0.00 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 2wbk s SER 755 CO 0.00 -0.92 -0.08 0.72 0.98 0.00 0.00 173.24 173.95 2wbk s PHE 756 N -3.97 1.67 -0.16 5.02 -0.71 -0.03 -4.51 117.98 115.29 2wbk s PHE 756 Ca 0.18 -0.73 -0.07 0.00 -1.04 0.00 0.00 56.93 55.27 2wbk s PHE 756 Cb 0.03 -0.89 -0.04 0.00 -1.21 0.00 0.00 43.02 40.90 2wbk s PHE 756 CO 0.01 0.19 0.07 -1.17 -1.34 0.00 0.00 175.22 172.97 2wbk s LEU 757 N -3.33 3.88 -0.11 -1.99 2.96 -0.04 -1.36 118.68 118.70 2wbk s LEU 757 Ca 0.25 0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2wbk s LEU 757 Cb 0.03 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2wbk s LEU 757 CO 0.08 0.25 0.11 -0.75 -1.32 0.00 0.00 176.35 174.71 2wbk s LYS 758 N -0.07 3.32 -0.03 1.98 2.20 -0.20 -0.55 119.74 126.40 2wbk s LYS 758 Ca 0.07 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 2wbk s LYS 758 Cb -0.12 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2wbk s LYS 758 CO 0.01 0.76 -0.03 -0.51 -0.36 0.00 0.00 175.35 175.22 2wbk s LEU 759 N -1.02 1.46 -0.00 5.43 1.02 -0.52 -2.12 118.68 122.94 2wbk s LEU 759 Ca 0.15 -0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.22 2wbk s LEU 759 Cb -0.12 -0.32 -0.00 0.00 0.02 0.00 0.00 46.19 45.77 2wbk s LEU 759 CO 0.04 -0.04 -0.03 -0.63 0.02 0.00 0.00 176.35 175.71 2wbk s ILE 760 N 0.66 0.27 -0.12 -0.59 1.09 -0.45 -0.87 121.20 121.20 2wbk s ILE 760 Ca -0.08 -0.14 0.02 0.00 -1.10 0.00 0.00 60.65 59.36 2wbk s ILE 760 Cb -0.11 -0.24 0.01 0.00 -1.06 0.00 0.00 42.46 41.06 2wbk s ILE 760 CO -0.00 0.08 -0.19 -0.22 -0.10 0.00 0.00 174.94 174.51 2wbk s LEU 761 N -0.04 1.91 0.23 2.97 2.96 -0.51 -1.13 118.68 125.07 2wbk s LEU 761 Ca 0.01 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 2wbk s LEU 761 Cb -0.02 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 2wbk s LEU 761 CO -0.00 0.05 -0.11 -1.59 -1.32 0.00 0.00 176.35 173.39 2wbk s LYS 762 N 0.86 1.40 0.67 1.98 -2.85 0.01 -0.50 119.74 121.32 2wbk s LYS 762 Ca -0.08 -1.66 -0.11 0.00 -1.00 0.00 0.00 55.97 53.12 2wbk s LYS 762 Cb -0.15 -1.10 0.16 0.00 -2.06 0.00 0.00 37.83 34.68 2wbk s LYS 762 CO -0.01 0.12 0.74 -0.40 0.10 0.00 0.00 175.35 175.90 2wbk n ASP 763 N -0.45 -0.80 -0.29 0.03 3.85 -0.86 -0.48 116.55 117.55 2wbk n ASP 763 Ca -0.07 -1.10 0.10 0.00 -0.71 0.00 0.00 54.79 53.01 2wbk n ASP 763 Cb 0.62 -0.62 0.23 0.00 -1.35 0.00 0.00 41.12 40.00 2wbk n ASP 763 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 2wbk h LYS 764 N 0.00 0.14 -0.70 0.11 3.64 -1.32 -2.84 116.57 115.60 2wbk h LYS 764 Ca -0.26 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 2wbk h LYS 764 Cb 0.75 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2wbk h LYS 764 CO 0.17 0.09 0.07 0.45 -2.27 0.00 0.00 179.45 177.97 2wbk n SER 765 N -5.30 4.75 0.00 4.20 2.88 -1.26 -4.93 113.62 113.95 2wbk n SER 765 Ca 0.18 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 2wbk n SER 765 Cb 0.60 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 2wbk n SER 765 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wbk n GLY 766 N 0.33 0.97 3.71 0.46 0.00 -1.07 -5.03 105.19 104.56 2wbk n GLY 766 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2wbk n GLY 766 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wbk s HIS 767 N -3.90 3.61 0.22 1.61 5.04 -1.26 -4.75 115.29 115.86 2wbk s HIS 767 Ca 0.00 1.61 -0.32 0.00 -1.54 0.00 0.00 55.06 54.81 2wbk s HIS 767 Cb 0.00 -3.19 -0.12 0.00 0.04 0.00 0.00 32.58 29.31 2wbk s HIS 767 CO 0.00 -0.31 1.71 0.94 -2.34 0.00 0.00 174.74 174.74 2wbk n GLN 768 N 3.87 2.77 0.00 2.88 7.27 -1.26 -2.03 117.38 130.88 2wbk n GLN 768 Ca 0.07 1.00 0.00 0.00 0.07 0.00 0.00 57.00 58.13 2wbk n GLN 768 Cb 0.50 -2.83 0.00 0.00 2.41 0.00 0.00 30.24 30.31 2wbk n GLN 768 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2wbk n VAL 769 N 3.72 0.00 -3.46 1.69 0.24 0.34 -4.94 118.33 115.92 2wbk n VAL 769 Ca 0.15 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 2wbk n VAL 769 Cb 0.35 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.36 -1.57 -0.02 2.33 0.00 -1.18 -4.95 121.76 115.00 2wbk s ALA 770 Ca 0.00 0.59 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 2wbk s ALA 770 Cb 0.00 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2wbk s ALA 770 CO 0.00 -0.69 0.25 -1.83 0.00 0.00 0.00 175.76 173.49 2wbk s GLU 771 N -3.31 0.54 0.24 0.00 -1.05 -1.26 -1.42 118.70 112.44 2wbk s GLU 771 Ca -0.01 -0.15 0.01 0.00 -0.15 0.00 0.00 54.97 54.67 2wbk s GLU 771 Cb -0.01 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 2wbk s GLU 771 CO -0.09 -0.13 0.16 0.45 0.95 0.00 0.00 175.26 176.60 2wbk s SER 772 N -1.07 0.60 -0.03 0.83 0.15 -0.05 -4.83 113.70 109.31 2wbk s SER 772 Ca -0.11 -1.48 0.01 0.00 0.70 0.00 0.00 55.95 55.06 2wbk s SER 772 Cb -0.05 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2wbk s SER 772 CO 0.03 -0.89 -0.04 -0.69 1.20 0.00 0.00 173.24 172.85 2wbk s VAL 773 N -3.96 0.44 -0.08 4.45 1.01 -1.26 -1.43 120.40 119.56 2wbk s VAL 773 Ca 0.39 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2wbk s VAL 773 Cb 0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 2wbk s VAL 773 CO 0.16 0.18 -0.19 -2.28 0.00 0.00 0.00 175.10 172.96 2wbk s HIS 774 N 0.57 2.62 -0.00 5.22 2.46 0.29 -4.97 115.29 121.48 2wbk s HIS 774 Ca -0.07 -0.63 -0.00 0.00 0.47 0.00 0.00 55.06 54.83 2wbk s HIS 774 Cb -0.10 -1.69 -0.04 0.00 -0.13 0.00 0.00 32.58 30.61 2wbk s HIS 774 CO -0.00 -0.16 0.09 -0.06 -2.47 0.00 0.00 174.74 172.13 2wbk s PHE 775 N -0.05 3.30 -0.14 3.88 0.08 -1.26 -0.86 117.98 122.92 2wbk s PHE 775 Ca -0.05 0.21 0.18 0.00 0.12 0.00 0.00 56.93 57.39 2wbk s PHE 775 Cb -0.14 -1.74 -0.13 0.00 -0.57 0.00 0.00 43.02 40.44 2wbk s PHE 775 CO 0.04 0.55 0.80 1.19 -0.10 0.00 0.00 175.22 177.71 2wbk n PHE 776 N 1.15 0.86 -4.46 0.36 3.72 -1.26 -4.93 117.46 112.90 2wbk n PHE 776 Ca -0.13 0.28 -0.22 0.00 -0.05 0.00 0.00 57.45 57.33 2wbk n PHE 776 Cb 0.53 -1.01 -0.11 0.00 -0.94 0.00 0.00 39.48 37.95 2wbk n PHE 776 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wbk s ARG 777 N -3.04 1.64 0.62 -1.08 1.81 -1.25 -5.02 118.95 112.63 2wbk s ARG 777 Ca -0.03 -1.89 -0.18 0.00 -1.72 0.00 0.00 55.73 51.91 2wbk s ARG 777 Cb 0.09 -1.02 -0.02 0.00 -0.45 0.00 0.00 34.95 33.56 2wbk s ARG 777 CO 0.81 -0.11 1.22 0.15 -0.68 0.00 0.00 175.30 176.69 2wbk s LYS 778 N -3.83 2.79 0.30 3.54 1.02 -1.26 -4.88 119.74 117.42 2wbk s LYS 778 Ca 0.34 1.83 -0.00 0.00 0.02 0.00 0.00 55.97 58.16 2wbk s LYS 778 Cb 0.07 -1.90 0.50 0.00 -0.52 0.00 0.00 37.83 35.98 2wbk s LYS 778 CO 0.14 -1.35 1.92 1.15 -0.92 0.00 0.00 175.35 176.30 2wbk h THR 779 N 0.64 1.10 0.00 2.17 2.02 -1.94 -0.09 112.91 116.81 2wbk h THR 779 Ca -0.50 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2wbk h THR 779 Cb 1.30 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2wbk h THR 779 CO 0.54 0.19 0.00 0.07 0.37 0.00 0.00 175.52 176.69 2wbk h LYS 780 N 1.07 0.00 0.00 6.66 2.10 -1.25 -1.72 116.57 123.42 2wbk h LYS 780 Ca 0.38 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.99 2wbk h LYS 780 Cb 0.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 2wbk h LYS 780 CO -0.13 0.00 -0.96 -0.44 -2.00 0.00 0.00 179.45 175.92 2wbk h ASP 781 N 0.00 0.00 -3.94 7.07 3.32 -1.29 -3.47 116.42 118.11 2wbk h ASP 781 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2wbk h ASP 781 Cb 0.26 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.90 2wbk h ASP 781 CO 0.00 0.13 0.67 -0.76 -1.72 0.00 0.00 179.24 177.56 2wbk s LEU 782 N -5.57 4.25 -1.12 1.55 1.02 -0.65 -4.88 118.68 113.28 2wbk s LEU 782 Ca -0.00 2.79 -0.14 0.00 0.02 0.00 0.00 54.13 56.80 2wbk s LEU 782 Cb 0.09 -3.82 0.17 0.00 0.02 0.00 0.00 46.19 42.65 2wbk s LEU 782 CO 0.78 -0.87 1.31 -1.58 0.02 0.00 0.00 176.35 176.00 2wbk s GLN 783 N -2.18 3.97 0.01 1.70 0.74 0.12 -5.00 119.66 119.02 2wbk s GLN 783 Ca 0.56 -2.46 -0.29 0.00 0.05 0.00 0.00 55.36 53.22 2wbk s GLN 783 Cb -0.41 -4.95 -0.04 0.00 1.10 0.00 0.00 33.01 28.71 2wbk s GLN 783 CO 0.54 -1.70 0.92 -0.51 -0.55 0.00 0.00 175.29 173.99 2wbk s LEU 784 N 1.49 4.39 0.65 3.68 1.43 -1.26 -4.82 118.68 124.23 2wbk s LEU 784 Ca 0.38 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 2wbk s LEU 784 Cb -0.04 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 2wbk s LEU 784 CO -0.03 -0.19 1.05 -2.16 0.23 0.00 0.00 176.35 175.25 2wbk s PRO 785 N 0.75 3.36 -1.54 1.29 0.04 -1.26 -4.91 135.00 132.73 2wbk s PRO 785 Ca 0.48 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2wbk s PRO 785 Cb -0.21 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2wbk s PRO 785 CO 0.26 -0.73 2.74 -0.35 0.04 0.00 0.00 177.00 178.96 2wbk n PRO 786 N -2.85 3.39 -1.56 0.56 -0.04 -1.26 -4.93 135.00 128.32 2wbk n PRO 786 Ca 0.06 -2.25 -0.43 0.00 -0.04 0.00 0.00 63.50 60.84 2wbk n PRO 786 Cb 0.55 -2.90 -0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2wbk n PRO 786 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wbk n THR 787 N 4.01 2.11 -3.89 0.52 -1.04 -1.26 -4.97 114.28 109.75 2wbk n THR 787 Ca 0.70 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.87 2wbk n THR 787 Cb 0.27 -0.90 -0.13 0.00 -1.82 0.00 0.00 70.33 67.74 2wbk n THR 787 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2wbk s SER 788 N -0.74 5.01 -0.02 8.00 0.15 -1.26 -5.09 113.70 119.75 2wbk s SER 788 Ca 0.62 -1.93 -0.29 0.00 0.70 0.00 0.00 55.95 55.04 2wbk s SER 788 Cb -0.64 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2wbk s SER 788 CO 0.58 -0.43 0.96 -0.69 1.20 0.00 0.00 173.24 174.86 2wbk s VAL 789 N 1.08 4.87 0.21 4.45 1.01 -1.26 -4.66 120.40 126.09 2wbk s VAL 789 Ca 0.06 2.01 0.11 0.00 0.00 0.00 0.00 61.98 64.16 2wbk s VAL 789 Cb -0.21 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2wbk s VAL 789 CO -0.05 0.14 -0.20 -0.94 0.00 0.00 0.00 175.10 174.05 2wbk s SER 790 N 1.01 3.63 -0.11 3.32 1.04 0.55 -4.97 113.70 118.17 2wbk s SER 790 Ca 0.50 -0.84 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 2wbk s SER 790 Cb -0.20 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.59 2wbk s SER 790 CO 0.25 0.10 0.28 -0.72 0.98 0.00 0.00 173.24 174.14 2wbk s TYR 791 N -1.83 -0.31 0.00 5.02 -0.85 -1.26 0.21 117.35 118.32 2wbk s TYR 791 Ca 0.23 0.77 -0.04 0.00 -0.52 0.00 0.00 57.07 57.51 2wbk s TYR 791 Cb -0.08 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 2wbk s TYR 791 CO 0.12 -0.15 0.22 -0.65 -1.52 0.00 0.00 175.55 173.56 2wbk s GLN 792 N 0.18 3.49 -0.08 -3.49 1.11 0.34 -4.93 119.66 116.28 2wbk s GLN 792 Ca -0.00 -0.24 0.02 0.00 0.01 0.00 0.00 55.36 55.15 2wbk s GLN 792 Cb -0.02 -3.08 0.01 0.00 -1.01 0.00 0.00 33.01 28.91 2wbk s GLN 792 CO 0.00 0.66 -0.14 1.41 0.01 0.00 0.00 175.29 177.23 2wbk s MET 793 N -1.91 1.90 -0.32 2.91 0.00 -1.26 0.56 119.30 121.18 2wbk s MET 793 Ca 0.28 -0.47 0.02 0.00 0.00 0.00 0.00 55.69 55.52 2wbk s MET 793 Cb -0.13 -1.58 0.09 0.00 0.00 0.00 0.00 34.83 33.22 2wbk s MET 793 CO 0.18 0.01 0.04 0.21 0.00 0.00 0.00 175.02 175.47 2wbk s LYS 794 N 0.74 1.34 -0.22 4.11 2.20 0.95 -4.98 119.74 123.89 2wbk s LYS 794 Ca -0.13 -1.57 -0.10 0.00 -0.36 0.00 0.00 55.97 53.82 2wbk s LYS 794 Cb -0.16 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.29 2wbk s LYS 794 CO 0.03 -0.90 0.13 -1.14 -0.36 0.00 0.00 175.35 173.11 2wbk s GLN 795 N 1.14 4.06 0.00 4.03 0.74 -1.26 -0.67 119.66 127.69 2wbk s GLN 795 Ca 0.08 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.21 2wbk s GLN 795 Cb -0.19 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.49 2wbk s GLN 795 CO -0.12 0.14 0.00 -2.37 -0.55 0.00 0.00 175.29 172.39 2wbk n THR 796 N 4.00 0.00 -2.04 -0.34 5.66 0.58 -4.63 114.28 117.51 2wbk n THR 796 Ca -0.16 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.42 2wbk n THR 796 Cb 0.52 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 2wbk n THR 796 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2wbk s ASP 797 N -0.90 6.70 0.00 1.09 1.01 -1.26 -2.84 116.67 120.46 2wbk s ASP 797 Ca 0.00 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.50 2wbk s ASP 797 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2wbk s ASP 797 CO 0.00 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.11 2wbk n GLY 798 N 4.01 0.35 3.60 0.21 0.00 0.24 -4.94 105.19 108.67 2wbk n GLY 798 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.71 0.80 -0.08 1.61 2.20 -1.13 -2.48 119.74 119.95 2wbk s LYS 799 Ca 0.00 0.97 0.02 0.00 -0.36 0.00 0.00 55.97 56.60 2wbk s LYS 799 Cb 0.00 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.71 2wbk s LYS 799 CO 0.00 -0.10 -0.14 0.00 -0.36 0.00 0.00 175.35 174.75 2wbk s GLU 801 N 0.79 3.81 -0.13 0.00 2.02 0.16 -0.06 118.70 125.29 2wbk s GLU 801 Ca -0.12 -0.40 -0.06 0.00 0.02 0.00 0.00 54.97 54.41 2wbk s GLU 801 Cb -0.16 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 2wbk s GLU 801 CO 0.02 -0.20 0.10 -0.51 0.02 0.00 0.00 175.26 174.69 2wbk s LEU 802 N 1.71 4.10 -0.14 1.80 1.43 0.19 -0.04 118.68 127.73 2wbk s LEU 802 Ca 0.07 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2wbk s LEU 802 Cb -0.16 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2wbk s LEU 802 CO 0.08 0.34 -0.21 -0.89 0.23 0.00 0.00 176.35 175.90 2wbk s THR 803 N -0.64 2.00 -0.06 5.49 2.01 0.19 0.36 115.64 124.99 2wbk s THR 803 Ca 0.12 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2wbk s THR 803 Cb -0.12 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2wbk s THR 803 CO 0.02 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.67 2wbk s LEU 804 N 0.82 3.22 -0.03 4.42 1.02 0.12 -0.51 118.68 127.74 2wbk s LEU 804 Ca -0.07 -0.02 -0.02 0.00 0.02 0.00 0.00 54.13 54.04 2wbk s LEU 804 Cb -0.15 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.34 2wbk s LEU 804 CO -0.02 0.35 0.07 0.12 0.02 0.00 0.00 176.35 176.90 2wbk s PHE 805 N -0.85 -0.07 -0.03 0.29 5.36 0.13 -1.72 117.98 121.08 2wbk s PHE 805 Ca 0.13 0.21 -0.06 0.00 -0.96 0.00 0.00 56.93 56.25 2wbk s PHE 805 Cb -0.11 -0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.57 2wbk s PHE 805 CO 0.03 -0.05 0.15 -1.54 -1.46 0.00 0.00 175.22 172.34 2wbk s SER 806 N 0.26 -0.08 0.33 6.13 1.04 -1.26 -0.33 113.70 119.79 2wbk s SER 806 Ca -0.02 0.09 0.24 0.00 0.48 0.00 0.00 55.95 56.74 2wbk s SER 806 Cb -0.03 0.28 0.40 0.00 0.10 0.00 0.00 66.02 66.77 2wbk s SER 806 CO -0.01 -0.20 1.55 0.77 0.98 0.00 0.00 173.24 176.33 2wbk h SER 807 N 5.15 0.00 -3.03 7.02 4.64 -1.88 0.25 113.55 125.70 2wbk h SER 807 Ca -0.28 -0.02 -0.65 0.00 -0.47 0.00 0.00 61.79 60.38 2wbk h SER 807 Cb 1.20 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.11 2wbk h SER 807 CO 0.40 0.01 -0.81 -0.04 -0.87 0.00 0.00 176.83 175.52 2wbk s MET 808 N -3.20 1.56 0.26 4.77 -1.94 -1.26 -3.97 119.30 115.51 2wbk s MET 808 Ca 0.07 -1.56 -0.30 0.00 -1.71 0.00 0.00 55.69 52.18 2wbk s MET 808 Cb 0.08 -1.84 -0.13 0.00 2.01 0.00 0.00 34.83 34.94 2wbk s MET 808 CO 0.67 0.39 1.33 -0.11 -0.01 0.00 0.00 175.02 177.29 2wbk n LEU 809 N 0.11 2.91 -4.02 -0.03 7.94 -0.41 -4.45 117.00 119.04 2wbk n LEU 809 Ca -0.11 1.16 -0.31 0.00 -1.11 0.00 0.00 56.01 55.64 2wbk n LEU 809 Cb 0.57 -1.40 -0.16 0.00 0.53 0.00 0.00 43.42 42.95 2wbk n LEU 809 CO 0.31 -0.65 -0.48 0.00 -1.11 0.00 0.00 177.39 175.45 2wbk s ALA 810 N -0.35 1.96 -0.15 1.96 0.00 -0.84 -4.59 121.76 119.74 2wbk s ALA 810 Ca 0.65 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.37 2wbk s ALA 810 Cb -0.66 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 2wbk s ALA 810 CO 0.53 -0.51 0.63 0.21 0.00 0.00 0.00 175.76 176.63 2wbk s LYS 811 N 1.44 4.29 -1.16 0.00 2.47 -1.26 -1.10 119.74 124.40 2wbk s LYS 811 Ca 0.03 0.67 -0.23 0.00 -1.56 0.00 0.00 55.97 54.88 2wbk s LYS 811 Cb -0.14 -3.53 0.00 0.00 -1.46 0.00 0.00 37.83 32.71 2wbk s LYS 811 CO -0.10 -0.12 0.76 -0.25 0.16 0.00 0.00 175.35 175.80 2wbk n ASP 812 N 4.57 -4.91 -4.78 1.43 8.00 -1.22 -2.36 116.55 117.27 2wbk n ASP 812 Ca -0.02 -1.07 -0.34 0.00 0.71 0.00 0.00 54.79 54.07 2wbk n ASP 812 Cb 0.50 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.57 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 -3.50 3.38 -0.17 0.53 -5.25 0.95 -4.55 121.20 112.59 2wbk s ILE 813 Ca 0.46 0.81 0.00 0.00 -0.99 0.00 0.00 60.65 60.93 2wbk s ILE 813 Cb -0.18 -3.31 0.01 0.00 2.95 0.00 0.00 42.46 41.93 2wbk s ILE 813 CO 0.88 -0.24 -0.16 0.12 -1.79 0.00 0.00 174.94 173.75 2wbk s PHE 814 N -1.97 2.79 -0.52 1.37 5.36 -0.06 -1.72 117.98 123.22 2wbk s PHE 814 Ca 0.70 -1.30 -0.20 0.00 -0.96 0.00 0.00 56.93 55.16 2wbk s PHE 814 Cb -0.21 -1.92 0.06 0.00 -0.34 0.00 0.00 43.02 40.60 2wbk s PHE 814 CO 0.28 -0.64 0.70 0.42 -1.46 0.00 0.00 175.22 174.53 2wbk s ILE 815 N 1.10 4.77 -0.19 3.12 1.01 -1.26 -1.58 121.20 128.17 2wbk s ILE 815 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 2wbk s ILE 815 Cb -0.14 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 2wbk s ILE 815 CO -0.06 -0.89 0.04 -0.70 0.00 0.00 0.00 174.94 173.33 2wbk s GLU 816 N 2.91 3.85 0.06 2.79 2.12 0.08 -4.95 118.70 125.56 2wbk s GLU 816 Ca 0.18 -0.41 0.04 0.00 0.36 0.00 0.00 54.97 55.14 2wbk s GLU 816 Cb -0.18 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 2wbk s GLU 816 CO 0.13 0.19 -0.12 0.95 -0.54 0.00 0.00 175.26 175.87 2wbk s THR 817 N 0.58 0.91 -2.22 -1.70 -4.23 -1.26 -0.65 115.64 107.08 2wbk s THR 817 Ca 0.02 -1.20 0.28 0.00 -1.18 0.00 0.00 61.69 59.61 2wbk s THR 817 Cb -0.13 -0.90 0.70 0.00 1.34 0.00 0.00 72.50 73.51 2wbk s THR 817 CO 0.02 -0.26 1.95 -0.81 -0.54 0.00 0.00 174.62 174.97 2wbk n PRO 818 N 1.39 1.32 -2.89 3.99 -0.05 -1.26 -4.80 135.00 132.70 2wbk n PRO 818 Ca -0.21 -0.46 -0.41 0.00 -0.05 0.00 0.00 63.50 62.36 2wbk n PRO 818 Cb 0.54 -1.47 -0.04 0.00 -0.05 0.00 0.00 33.50 32.49 2wbk n PRO 818 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 2wbk s LEU 819 N -1.93 4.19 0.25 1.53 1.43 -1.26 -4.99 118.68 117.89 2wbk s LEU 819 Ca 0.41 1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 54.40 2wbk s LEU 819 Cb 0.21 -3.24 -0.11 0.00 0.03 0.00 0.00 46.19 43.08 2wbk s LEU 819 CO 0.34 -0.38 1.59 -1.10 0.23 0.00 0.00 176.35 177.02 2wbk s GLN 820 N 2.04 4.16 0.00 1.70 -1.52 -1.26 -2.74 119.66 122.05 2wbk s GLN 820 Ca 0.39 2.51 0.00 0.00 -1.95 0.00 0.00 55.36 56.30 2wbk s GLN 820 Cb -0.17 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 2wbk s GLN 820 CO 0.13 -0.62 0.00 0.41 -0.25 0.00 0.00 175.29 174.97 2wbk n GLY 821 N 2.74 0.67 3.65 3.09 0.00 -1.25 -4.99 105.19 109.10 2wbk n GLY 821 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 1.00 0.62 -2.84 4.61 0.00 -1.11 -4.88 120.51 117.91 2wbk n ALA 822 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 2wbk n ALA 822 Cb 0.02 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 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 -0.63 3.10 -0.02 0.00 0.52 -0.08 -4.79 118.95 117.04 2wbk s ARG 823 Ca 0.67 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 2wbk s ARG 823 Cb -0.69 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 31.97 2wbk s ARG 823 CO 0.52 0.55 -0.08 0.71 0.02 0.00 0.00 175.30 177.02 2wbk s TYR 824 N -1.56 0.79 0.51 -0.53 2.02 -1.26 -1.19 117.35 116.12 2wbk s TYR 824 Ca 0.32 -0.18 0.20 0.00 -0.37 0.00 0.00 57.07 57.04 2wbk s TYR 824 Cb -0.12 -0.57 1.28 0.00 -0.40 0.00 0.00 41.96 42.16 2wbk s TYR 824 CO 0.25 -0.08 2.03 0.66 -1.57 0.00 0.00 175.55 176.84 2wbk h SER 825 N 6.33 0.09 -4.59 2.29 4.64 -1.35 -3.44 113.55 117.52 2wbk h SER 825 Ca -0.33 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.07 2wbk h SER 825 Cb 1.17 -0.02 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 2wbk h SER 825 CO 0.49 0.05 0.46 -0.62 -0.87 0.00 0.00 176.83 176.34 2wbk s ASP 826 N -6.42 -0.41 0.10 4.97 -1.08 -1.26 -4.99 116.67 107.57 2wbk s ASP 826 Ca -0.06 0.15 -0.26 0.00 -0.52 0.00 0.00 52.55 51.86 2wbk s ASP 826 Cb 0.19 0.40 0.08 0.00 -1.46 0.00 0.00 42.92 42.13 2wbk s ASP 826 CO 0.72 -0.59 0.88 0.21 0.52 0.00 0.00 175.17 176.91 2wbk s ASN 827 N -2.10 -0.30 -1.30 -0.34 3.84 -1.26 -4.90 114.94 108.58 2wbk s ASN 827 Ca 0.02 -0.21 -0.04 0.00 0.21 0.00 0.00 52.86 52.84 2wbk s ASN 827 Cb -0.01 0.47 -0.00 0.00 -0.55 0.00 0.00 41.25 41.16 2wbk s ASN 827 CO -0.06 -0.82 0.64 0.49 -2.79 0.00 0.00 177.10 174.56 2wbk n PHE 828 N -0.37 -1.85 -4.50 0.43 3.72 -0.70 -4.91 117.46 109.28 2wbk n PHE 828 Ca -0.08 0.74 -0.24 0.00 -0.05 0.00 0.00 57.45 57.82 2wbk n PHE 828 Cb 0.61 -4.01 -0.11 0.00 -0.94 0.00 0.00 39.48 35.04 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 -3.71 2.22 -0.14 1.38 -0.12 -1.22 -4.81 117.98 111.59 2wbk s PHE 829 Ca 0.10 -0.63 -0.26 0.00 -0.05 0.00 0.00 56.93 56.09 2wbk s PHE 829 Cb -0.03 -1.33 -0.02 0.00 -0.63 0.00 0.00 43.02 41.01 2wbk s PHE 829 CO 0.84 0.41 0.84 -0.51 -0.05 0.00 0.00 175.22 176.75 2wbk s ASP 830 N -3.55 7.02 -0.50 1.98 1.01 -1.26 -0.04 116.67 121.33 2wbk s ASP 830 Ca 0.32 1.25 -0.26 0.00 0.71 0.00 0.00 52.55 54.57 2wbk s ASP 830 Cb 0.05 -2.47 0.03 0.00 1.01 0.00 0.00 42.92 41.54 2wbk s ASP 830 CO 0.15 -0.35 0.99 -0.22 0.21 0.00 0.00 175.17 175.94 2wbk s LEU 831 N 1.86 3.92 0.55 1.23 2.96 -0.26 -4.94 118.68 124.00 2wbk s LEU 831 Ca 0.40 0.04 -0.18 0.00 -0.22 0.00 0.00 54.13 54.17 2wbk s LEU 831 Cb -0.17 -3.14 -0.06 0.00 0.50 0.00 0.00 46.19 43.32 2wbk s LEU 831 CO 0.15 -1.17 1.07 -0.76 -1.32 0.00 0.00 176.35 174.32 2wbk s LEU 832 N 4.03 3.66 -0.03 -0.68 1.43 -1.26 -1.98 118.68 123.86 2wbk s LEU 832 Ca 0.37 1.93 -0.33 0.00 -1.03 0.00 0.00 54.13 55.08 2wbk s LEU 832 Cb -0.10 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.45 2wbk s LEU 832 CO 0.25 -1.06 1.86 -0.81 0.23 0.00 0.00 176.35 176.82 2wbk n PRO 833 N -1.53 2.33 -0.97 1.29 -0.04 -1.26 -2.29 135.00 132.54 2wbk n PRO 833 Ca 0.10 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2wbk n PRO 833 Cb 0.52 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.31 0.63 3.09 0.55 0.00 0.88 -4.72 105.19 109.94 2wbk n GLY 834 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.22 2.39 0.55 1.61 2.02 -0.97 -5.03 118.70 119.06 2wbk s GLU 835 Ca 0.00 -2.36 -0.19 0.00 0.02 0.00 0.00 54.97 52.44 2wbk s GLU 835 Cb 0.00 -3.67 -0.08 0.00 0.10 0.00 0.00 34.13 30.47 2wbk s GLU 835 CO 0.00 -1.15 0.68 -2.13 0.02 0.00 0.00 175.26 172.68 2wbk n ARG 836 N 3.73 0.68 -3.67 1.61 3.00 -1.26 -4.44 116.66 116.32 2wbk n ARG 836 Ca 0.05 0.26 -0.19 0.00 -0.00 0.00 0.00 57.85 57.98 2wbk n ARG 836 Cb 0.38 -1.83 -0.17 0.00 0.00 0.00 0.00 32.46 30.85 2wbk n ARG 836 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2wbk s LYS 837 N -2.19 -0.03 -0.16 -0.14 2.47 -0.70 -4.97 119.74 114.01 2wbk s LYS 837 Ca 0.69 0.46 -0.20 0.00 -1.56 0.00 0.00 55.97 55.37 2wbk s LYS 837 Cb -0.46 -0.41 -0.03 0.00 -1.46 0.00 0.00 37.83 35.47 2wbk s LYS 837 CO 0.53 -0.32 0.56 0.21 0.16 0.00 0.00 175.35 176.49 2wbk s LYS 838 N 2.22 4.26 -0.08 4.03 2.20 -1.26 -0.71 119.74 130.41 2wbk s LYS 838 Ca 0.04 0.53 0.04 0.00 -0.36 0.00 0.00 55.97 56.22 2wbk s LYS 838 Cb -0.12 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2wbk s LYS 838 CO -0.04 -0.07 -0.22 0.08 -0.36 0.00 0.00 175.35 174.74 2wbk s VAL 839 N 1.35 1.87 -0.16 4.02 1.01 0.16 -4.90 120.40 123.74 2wbk s VAL 839 Ca 0.27 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2wbk s VAL 839 Cb -0.16 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2wbk s VAL 839 CO 0.11 0.52 0.14 -0.63 0.00 0.00 0.00 175.10 175.24 2wbk s ILE 840 N 0.29 5.44 -0.11 2.22 1.01 -1.26 0.52 121.20 129.31 2wbk s ILE 840 Ca -0.15 0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.76 2wbk s ILE 840 Cb -0.17 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2wbk s ILE 840 CO 0.07 0.52 -0.23 -0.63 0.00 0.00 0.00 174.94 174.67 2wbk s ILE 841 N -0.25 2.01 0.14 2.92 1.01 0.91 -0.82 121.20 127.13 2wbk s ILE 841 Ca 0.11 -0.98 0.11 0.00 0.00 0.00 0.00 60.65 59.90 2wbk s ILE 841 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2wbk s ILE 841 CO 0.01 0.55 -0.26 0.42 0.00 0.00 0.00 174.94 175.65 2wbk s THR 842 N 0.53 2.30 -0.30 2.92 -4.23 -0.33 -0.39 115.64 116.14 2wbk s THR 842 Ca -0.14 -1.82 -0.23 0.00 -1.18 0.00 0.00 61.69 58.32 2wbk s THR 842 Cb -0.17 -2.04 0.19 0.00 1.34 0.00 0.00 72.50 71.82 2wbk s THR 842 CO 0.05 0.04 1.36 -0.55 -0.54 0.00 0.00 174.62 174.97 2wbk s SER 843 N -2.21 -0.10 0.54 3.99 0.15 -1.03 -0.90 113.70 114.14 2wbk s SER 843 Ca 0.16 0.18 0.36 0.00 0.70 0.00 0.00 55.95 57.36 2wbk s SER 843 Cb -0.10 0.41 1.98 0.00 -1.71 0.00 0.00 66.02 66.61 2wbk s SER 843 CO 0.07 -0.03 2.12 1.55 1.20 0.00 0.00 173.24 178.15 2wbk h PRO 844 N 3.78 0.00 0.00 5.44 0.13 -1.98 -2.75 132.00 136.62 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wbk h PRO 844 CO 0.19 0.00 -0.39 0.54 -0.23 0.00 0.00 178.00 178.10 2wbk n ARG 845 N -2.78 0.19 -2.08 0.86 1.74 -1.26 -4.76 116.66 108.56 2wbk n ARG 845 Ca -0.02 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 2wbk n ARG 845 Cb 0.06 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 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 -3.10 3.68 -0.08 0.55 1.01 -1.04 -4.96 121.20 117.26 2wbk s ILE 846 Ca 0.09 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.59 2wbk s ILE 846 Cb 0.15 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 2wbk s ILE 846 CO 0.67 -0.13 -0.21 -0.54 0.00 0.00 0.00 174.94 174.73 2wbk s LYS 847 N 4.18 2.86 -0.34 2.79 -0.14 -1.26 0.81 119.74 128.64 2wbk s LYS 847 Ca 0.71 -0.83 -0.43 0.00 -1.36 0.00 0.00 55.97 54.06 2wbk s LYS 847 Cb -0.30 -2.33 -0.18 0.00 -1.68 0.00 0.00 37.83 33.35 2wbk s LYS 847 CO 0.28 0.32 1.60 1.63 -0.76 0.00 0.00 175.35 178.42 2wbk n LYS 848 N 3.16 0.54 -0.42 1.68 4.76 -1.21 -2.55 118.16 124.12 2wbk n LYS 848 Ca -0.18 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2wbk n LYS 848 Cb 0.52 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2wbk n LYS 848 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wbk n GLY 849 N 3.80 0.74 2.89 0.72 0.00 -1.26 -4.97 105.19 107.11 2wbk n GLY 849 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 2wbk n GLY 849 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wbk s GLU 850 N -0.58 1.31 0.16 1.61 2.12 -1.06 -5.11 118.70 117.16 2wbk s GLU 850 Ca 0.00 -1.77 -0.31 0.00 0.36 0.00 0.00 54.97 53.24 2wbk s GLU 850 Cb 0.00 -2.77 -0.09 0.00 0.26 0.00 0.00 34.13 31.53 2wbk s GLU 850 CO 0.00 -1.01 1.50 -2.00 -0.54 0.00 0.00 175.26 173.21 2wbk s GLU 851 N 0.86 4.26 -0.18 4.30 2.12 -1.26 -4.63 118.70 124.16 2wbk s GLU 851 Ca 0.12 2.26 -0.29 0.00 0.36 0.00 0.00 54.97 57.43 2wbk s GLU 851 Cb -0.20 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 2wbk s GLU 851 CO -0.11 -0.53 1.30 -1.17 -0.54 0.00 0.00 175.26 174.21 2wbk s LEU 852 N 0.94 4.14 0.28 2.70 2.96 -1.26 -4.97 118.68 123.46 2wbk s LEU 852 Ca 0.67 1.65 -0.30 0.00 -0.22 0.00 0.00 54.13 55.93 2wbk s LEU 852 Cb -0.41 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.63 2wbk s LEU 852 CO 0.32 -0.83 1.60 -2.84 -1.32 0.00 0.00 176.35 173.28 2wbk s PRO 853 N 3.65 4.13 -0.04 0.98 0.02 -1.26 -5.00 135.00 137.49 2wbk s PRO 853 Ca 0.56 2.56 0.02 0.00 0.02 0.00 0.00 61.00 64.16 2wbk s PRO 853 Cb -0.22 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.28 2wbk s PRO 853 CO 0.17 -0.63 -0.08 0.08 -0.33 0.00 0.00 177.00 176.21 2wbk s VAL 854 N 0.16 0.73 -0.10 3.83 1.01 -1.26 -4.30 120.40 120.47 2wbk s VAL 854 Ca 0.64 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 2wbk s VAL 854 Cb -0.47 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2wbk s VAL 854 CO 0.45 0.25 -0.07 0.21 0.00 0.00 0.00 175.10 175.94 2wbk s ASN 855 N 0.53 2.03 -0.16 3.32 2.47 0.18 -4.99 114.94 118.31 2wbk s ASN 855 Ca -0.08 -0.27 -0.08 0.00 0.42 0.00 0.00 52.86 52.84 2wbk s ASN 855 Cb -0.12 -0.78 -0.04 0.00 -1.45 0.00 0.00 41.25 38.86 2wbk s ASN 855 CO 0.01 -0.11 0.11 -0.63 -3.72 0.00 0.00 177.10 172.76 2wbk s ILE 856 N 1.59 5.24 0.08 -5.21 1.01 -1.26 -0.74 121.20 121.90 2wbk s ILE 856 Ca 0.02 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.87 2wbk s ILE 856 Cb -0.13 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2wbk s ILE 856 CO -0.06 0.51 -0.19 -0.54 0.00 0.00 0.00 174.94 174.65 2wbk s LYS 857 N -0.16 1.14 0.14 2.79 1.02 -0.62 -4.97 119.74 119.10 2wbk s LYS 857 Ca 0.09 -1.04 -0.13 0.00 0.02 0.00 0.00 55.97 54.92 2wbk s LYS 857 Cb -0.12 -1.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.90 2wbk s LYS 857 CO 0.01 0.31 0.35 -3.38 -0.92 0.00 0.00 175.35 171.72 2wbk s HIS 858 N -1.04 0.06 0.23 3.18 -3.43 -1.26 -0.88 115.29 112.14 2wbk s HIS 858 Ca 0.05 -0.42 -0.06 0.00 -0.80 0.00 0.00 55.06 53.84 2wbk s HIS 858 Cb -0.09 0.13 0.39 0.00 -1.43 0.00 0.00 32.58 31.58 2wbk s HIS 858 CO 0.03 -0.72 1.75 0.82 -2.00 0.00 0.00 174.74 174.62 2wbk h ILE 859 N 2.46 0.73 0.00 -5.38 1.08 -1.71 -1.92 117.51 112.77 2wbk h ILE 859 Ca -0.32 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 2wbk h ILE 859 Cb 1.24 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2wbk h ILE 859 CO 0.47 0.09 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.88 2wbk h ARG 860 N 0.48 0.00 0.00 2.37 9.65 -1.92 0.28 114.38 125.25 2wbk h ARG 860 Ca 0.38 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 2wbk h ARG 860 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2wbk h ARG 860 CO -0.35 0.05 0.00 0.39 2.80 0.00 0.00 179.97 182.86 2wbk n GLU 861 N -3.65 0.04 -0.00 0.20 1.02 -0.72 -3.89 120.64 113.63 2wbk n GLU 861 Ca -0.02 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.40 2wbk n GLU 861 Cb 0.15 -1.56 0.40 0.00 -0.02 0.00 0.00 31.44 30.42 2wbk n GLU 861 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wbk n THR 862 N -1.62 0.01 -3.81 2.62 -2.24 0.99 -4.95 114.28 105.27 2wbk n THR 862 Ca 0.05 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 2wbk n THR 862 Cb 0.27 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.99 0.01 -0.27 4.78 1.13 -1.25 -4.31 117.35 115.45 2wbk s TYR 863 Ca 0.35 -0.37 -0.03 0.00 -1.41 0.00 0.00 57.07 55.62 2wbk s TYR 863 Cb 0.21 0.34 0.03 0.00 -1.10 0.00 0.00 41.96 41.43 2wbk s TYR 863 CO 0.32 -0.93 -0.02 0.21 -2.51 0.00 0.00 175.55 172.62 2wbk s LYS 864 N -3.91 2.84 0.24 -3.49 2.20 -1.26 -5.04 119.74 111.32 2wbk s LYS 864 Ca 0.12 -0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 54.44 2wbk s LYS 864 Cb -0.01 -3.10 -0.09 0.00 -1.51 0.00 0.00 37.83 33.12 2wbk s LYS 864 CO 0.00 -0.44 0.95 -0.51 -0.36 0.00 0.00 175.35 174.99 2wbk s LEU 865 N 1.35 4.65 0.00 5.43 1.43 -1.26 -5.19 118.68 125.09 2wbk s LEU 865 Ca -0.00 1.96 0.24 0.00 -1.03 0.00 0.00 54.13 55.31 2wbk s LEU 865 Cb -0.17 -3.61 0.20 0.00 0.03 0.00 0.00 46.19 42.64 2wbk s LEU 865 CO -0.02 0.15 1.27 1.21 0.23 0.00 0.00 176.35 179.18