#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbm s HIS 0 N 0.00 3.29 -0.15 0.66 2.46 -1.26 -5.08 115.29 115.21 2wbm s HIS 0 Ca 0.00 1.62 -0.28 0.00 0.47 0.00 0.00 55.06 56.87 2wbm s HIS 0 Cb 0.00 -2.91 0.07 0.00 -0.13 0.00 0.00 32.58 29.62 2wbm s HIS 0 CO 0.00 -0.23 0.71 1.41 -2.47 0.00 0.00 174.74 174.16 2wbm s MET 1 N -3.06 0.95 0.11 2.88 -2.45 -1.26 -5.14 119.30 111.32 2wbm s MET 1 Ca 0.62 0.56 -0.30 0.00 -1.25 0.00 0.00 55.69 55.32 2wbm s MET 1 Cb -0.12 0.45 -0.06 0.00 1.25 0.00 0.00 34.83 36.35 2wbm s MET 1 CO 0.16 -0.23 1.12 0.54 1.05 0.00 0.00 175.02 177.66 2wbm s VAL 2 N -0.52 4.07 0.68 10.11 0.11 -1.26 -5.03 120.40 128.56 2wbm s VAL 2 Ca -0.06 1.61 -0.15 0.00 -2.93 0.00 0.00 61.98 60.45 2wbm s VAL 2 Cb -0.02 -4.03 0.01 0.00 -1.53 0.00 0.00 36.38 30.81 2wbm s VAL 2 CO 0.06 0.20 1.14 -0.94 -3.33 0.00 0.00 175.10 172.23 2wbm s SER 3 N 0.51 4.82 0.54 3.54 1.04 -1.26 -4.85 113.70 118.03 2wbm s SER 3 Ca 0.53 2.12 0.29 0.00 0.48 0.00 0.00 55.95 59.38 2wbm s SER 3 Cb -0.28 -2.56 1.52 0.00 0.10 0.00 0.00 66.02 64.80 2wbm s SER 3 CO 0.32 -1.83 2.09 -0.07 0.98 0.00 0.00 173.24 174.72 2wbm h LEU 4 N -0.04 0.00 -0.63 2.42 3.38 -1.96 -0.44 115.31 118.03 2wbm h LEU 4 Ca -0.47 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 2wbm h LEU 4 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2wbm h LEU 4 CO 0.53 0.10 -0.49 -0.08 0.09 0.00 0.00 178.44 178.58 2wbm h GLU 5 N 0.00 0.49 0.00 1.13 4.81 -2.03 -3.26 114.58 115.72 2wbm h GLU 5 Ca -0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2wbm h GLU 5 Cb 0.32 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2wbm h GLU 5 CO 0.01 0.87 -1.01 -0.25 -0.73 0.00 0.00 179.01 177.90 2wbm n ASP 6 N -3.98 0.66 -4.77 1.04 10.43 -0.67 -4.91 116.55 114.35 2wbm n ASP 6 Ca -0.02 0.06 -0.40 0.00 2.57 0.00 0.00 54.79 56.99 2wbm n ASP 6 Cb 0.56 0.64 0.00 0.00 1.84 0.00 0.00 41.12 44.16 2wbm n ASP 6 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wbm s ALA 7 N -3.27 3.38 0.43 2.24 0.00 -0.26 -4.50 121.76 119.78 2wbm s ALA 7 Ca 0.02 1.46 0.06 0.00 0.00 0.00 0.00 51.96 53.50 2wbm s ALA 7 Cb 0.12 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2wbm s ALA 7 CO 0.79 -1.05 0.13 0.14 0.00 0.00 0.00 175.76 175.77 2wbm s VAL 8 N -1.18 2.06 -0.17 0.00 -7.23 -0.24 -4.87 120.40 108.77 2wbm s VAL 8 Ca 0.56 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2wbm s VAL 8 Cb -0.44 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 2wbm s VAL 8 CO 0.57 0.00 0.04 -0.63 -0.31 0.00 0.00 175.10 174.78 2wbm s ILE 9 N -2.67 4.64 -0.20 -0.62 1.01 -1.02 -0.87 121.20 121.47 2wbm s ILE 9 Ca 0.35 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.82 2wbm s ILE 9 Cb 0.05 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2wbm s ILE 9 CO 0.19 0.49 0.10 0.00 0.00 0.00 0.00 174.94 175.72 2wbm s ALA 10 N 0.18 3.53 -0.03 9.38 0.00 -0.48 -0.19 121.76 134.14 2wbm s ALA 10 Ca 0.03 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.30 2wbm s ALA 10 Cb -0.12 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 2wbm s ALA 10 CO 0.01 0.11 -0.19 0.50 0.00 0.00 0.00 175.76 176.19 2wbm s ARG 11 N 0.48 1.76 -0.05 0.00 3.52 -0.13 -1.16 118.95 123.36 2wbm s ARG 11 Ca 0.05 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 54.99 2wbm s ARG 11 Cb -0.12 -1.60 0.02 0.00 -1.56 0.00 0.00 34.95 31.68 2wbm s ARG 11 CO -0.00 0.34 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.58 2wbm s LEU 12 N -0.23 1.54 -0.15 -0.88 2.96 0.30 -0.27 118.68 121.94 2wbm s LEU 12 Ca 0.02 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2wbm s LEU 12 Cb -0.10 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 2wbm s LEU 12 CO 0.01 0.00 0.03 -1.61 -1.32 0.00 0.00 176.35 173.46 2wbm s GLU 13 N 0.70 3.69 -0.13 1.98 2.02 -1.26 -1.00 118.70 124.70 2wbm s GLU 13 Ca -0.12 -0.40 -0.00 0.00 0.02 0.00 0.00 54.97 54.47 2wbm s GLU 13 Cb -0.14 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.06 2wbm s GLU 13 CO 0.02 0.36 -0.10 0.45 0.02 0.00 0.00 175.26 176.01 2wbm s SER 14 N 0.08 2.37 -1.63 -0.19 0.15 -0.22 -4.81 113.70 109.44 2wbm s SER 14 Ca 0.03 -0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.17 2wbm s SER 14 Cb -0.13 -0.97 0.12 0.00 -1.71 0.00 0.00 66.02 63.34 2wbm s SER 14 CO 0.01 -0.10 0.73 1.41 1.20 0.00 0.00 173.24 176.50 2wbm n HIS 15 N 4.88 -1.78 -0.49 3.44 8.25 -1.26 -1.10 115.22 127.16 2wbm n HIS 15 Ca -0.14 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 2wbm n HIS 15 Cb 0.50 -3.20 0.00 0.00 1.12 0.00 0.00 29.99 28.41 2wbm n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wbm n GLY 16 N -1.56 1.03 3.59 -1.41 0.00 -1.26 -5.03 105.19 100.55 2wbm n GLY 16 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wbm n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wbm s GLU 17 N -0.38 3.93 0.14 1.61 0.41 -0.26 -5.09 118.70 119.05 2wbm s GLU 17 Ca 0.00 -0.34 -0.22 0.00 -0.41 0.00 0.00 54.97 54.00 2wbm s GLU 17 Cb 0.00 -3.48 -0.07 0.00 -1.78 0.00 0.00 34.13 28.79 2wbm s GLU 17 CO 0.00 -0.04 0.68 1.03 -0.49 0.00 0.00 175.26 176.44 2wbm s ARG 18 N 1.30 4.37 -0.08 1.61 0.52 -1.26 -1.06 118.95 124.35 2wbm s ARG 18 Ca 0.06 0.94 0.02 0.00 -0.52 0.00 0.00 55.73 56.23 2wbm s ARG 18 Cb -0.14 -3.19 0.01 0.00 0.52 0.00 0.00 34.95 32.15 2wbm s ARG 18 CO 0.06 0.57 -0.14 -0.06 0.02 0.00 0.00 175.30 175.76 2wbm s PHE 19 N -1.19 1.65 0.02 -0.53 0.08 -0.17 -4.39 117.98 113.45 2wbm s PHE 19 Ca 0.34 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.75 2wbm s PHE 19 Cb -0.21 -1.20 -0.02 0.00 -0.57 0.00 0.00 43.02 41.03 2wbm s PHE 19 CO 0.23 -0.33 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.73 2wbm s GLU 20 N 0.74 0.48 0.10 0.44 2.02 0.75 -0.54 118.70 122.70 2wbm s GLU 20 Ca -0.13 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.38 2wbm s GLU 20 Cb -0.16 -0.33 -0.03 0.00 0.10 0.00 0.00 34.13 33.71 2wbm s GLU 20 CO 0.03 0.07 -0.12 0.14 0.02 0.00 0.00 175.26 175.39 2wbm s VAL 21 N -0.89 1.13 -0.25 2.63 -7.23 -0.31 0.03 120.40 115.50 2wbm s VAL 21 Ca -0.05 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 2wbm s VAL 21 Cb -0.07 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 2wbm s VAL 21 CO 0.00 -0.43 0.22 -0.76 -0.31 0.00 0.00 175.10 173.83 2wbm s LEU 22 N -2.28 4.09 0.05 1.32 1.43 -1.26 -1.39 118.68 120.64 2wbm s LEU 22 Ca 0.05 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2wbm s LEU 22 Cb -0.05 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2wbm s LEU 22 CO 0.02 -0.01 -0.07 0.68 0.23 0.00 0.00 176.35 177.20 2wbm s VAL 23 N 1.39 0.51 0.01 -1.59 -7.23 -0.05 -0.67 120.40 112.77 2wbm s VAL 23 Ca 0.10 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.69 2wbm s VAL 23 Cb -0.15 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.89 2wbm s VAL 23 CO 0.07 -0.53 1.58 -0.62 -0.31 0.00 0.00 175.10 175.29 2wbm s ASP 24 N -1.95 6.69 0.24 4.85 -1.08 -0.12 -1.08 116.67 124.22 2wbm s ASP 24 Ca -0.05 2.30 0.00 0.00 -0.52 0.00 0.00 52.55 54.28 2wbm s ASP 24 Cb -0.06 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 39.12 2wbm s ASP 24 CO -0.01 -0.85 1.62 1.55 0.52 0.00 0.00 175.17 177.99 2wbm h PRO 25 N 8.57 0.49 -0.15 4.34 0.13 -1.91 0.14 132.00 143.63 2wbm h PRO 25 Ca -0.40 -0.25 -0.04 0.00 -0.87 0.00 0.00 66.00 64.44 2wbm h PRO 25 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wbm h PRO 25 CO 0.93 0.81 -0.07 -0.44 -0.23 0.00 0.00 178.00 179.00 2wbm h ASP 26 N 0.41 0.32 0.10 1.44 3.32 -1.93 -1.30 116.42 118.78 2wbm h ASP 26 Ca 0.04 -0.41 -0.15 0.00 0.02 0.00 0.00 57.03 56.53 2wbm h ASP 26 Cb 0.88 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2wbm h ASP 26 CO 0.07 0.66 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.66 2wbm h LEU 27 N -0.02 0.51 -0.65 1.55 3.38 -1.92 -1.92 115.31 116.23 2wbm h LEU 27 Ca 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2wbm h LEU 27 Cb 0.54 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2wbm h LEU 27 CO 0.02 0.94 0.39 0.00 0.09 0.00 0.00 178.44 179.88 2wbm h ALA 28 N 1.07 0.83 -0.73 1.53 0.00 -0.68 0.68 119.26 121.96 2wbm h ALA 28 Ca 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2wbm h ALA 28 Cb 1.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2wbm h ALA 28 CO 0.09 0.32 0.32 0.00 0.00 0.00 0.00 179.25 179.98 2wbm h ALA 29 N 1.20 0.94 -0.54 0.00 0.00 -0.95 -2.31 119.26 117.60 2wbm h ALA 29 Ca 0.23 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2wbm h ALA 29 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2wbm h ALA 29 CO -0.04 0.53 0.08 0.93 0.00 0.00 0.00 179.25 180.74 2wbm h GLU 30 N 1.03 0.90 -0.80 0.00 4.39 -0.99 -2.98 114.58 116.12 2wbm h GLU 30 Ca 0.25 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2wbm h GLU 30 Cb 0.16 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2wbm h GLU 30 CO -0.03 0.88 0.53 0.35 -1.16 0.00 0.00 179.01 179.58 2wbm h PHE 31 N 0.78 0.95 0.00 4.33 3.57 -0.63 -1.73 116.94 124.21 2wbm h PHE 31 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2wbm h PHE 31 Cb 0.42 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2wbm h PHE 31 CO 0.03 0.54 -0.03 0.00 -2.23 0.00 0.00 178.31 176.62 2wbm h ARG 32 N 0.97 0.00 -7.20 1.11 3.08 -1.26 -3.45 114.38 107.63 2wbm h ARG 32 Ca 0.32 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.88 2wbm h ARG 32 Cb 0.07 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.20 2wbm h ARG 32 CO -0.10 0.03 0.38 1.03 -1.07 0.00 0.00 179.97 180.24 2wbm s ARG 33 N -3.85 3.12 0.29 0.04 0.52 -0.65 -4.99 118.95 113.42 2wbm s ARG 33 Ca -0.01 1.26 -0.30 0.00 -0.52 0.00 0.00 55.73 56.16 2wbm s ARG 33 Cb 0.11 -2.00 -0.11 0.00 0.52 0.00 0.00 34.95 33.46 2wbm s ARG 33 CO 0.52 -0.98 1.61 -1.21 0.02 0.00 0.00 175.30 175.27 2wbm s GLU 34 N -4.12 4.11 -1.44 3.54 0.41 -1.26 -3.42 118.70 116.52 2wbm s GLU 34 Ca 0.65 2.60 0.00 0.00 -0.41 0.00 0.00 54.97 57.80 2wbm s GLU 34 Cb -0.18 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 2wbm s GLU 34 CO 0.39 -0.65 0.00 -3.47 -0.49 0.00 0.00 175.26 171.04 2wbm n ASP 35 N 2.28 -4.78 -4.77 -0.19 4.64 -1.26 -4.96 116.55 107.51 2wbm n ASP 35 Ca 0.09 0.10 -0.39 0.00 -1.38 0.00 0.00 54.79 53.21 2wbm n ASP 35 Cb 0.37 -3.84 -0.02 0.00 -1.04 0.00 0.00 41.12 36.59 2wbm n ASP 35 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2wbm s SER 36 N -2.44 6.60 0.00 1.67 0.15 -1.22 -4.95 113.70 113.51 2wbm s SER 36 Ca 0.00 2.36 0.24 0.00 0.70 0.00 0.00 55.95 59.25 2wbm s SER 36 Cb 0.00 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.12 2wbm s SER 36 CO 0.00 -0.62 1.40 0.47 1.20 0.00 0.00 173.24 175.68 2wbm n ASP 37 N 0.21 2.88 -4.70 5.45 9.92 -1.26 -4.95 116.55 124.10 2wbm n ASP 37 Ca 0.04 -1.92 -0.42 0.00 -0.53 0.00 0.00 54.79 51.96 2wbm n ASP 37 Cb 0.46 -0.11 -0.03 0.00 -0.64 0.00 0.00 41.12 40.81 2wbm n ASP 37 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wbm s VAL 38 N -1.79 3.67 0.28 2.53 1.01 -1.26 -5.01 120.40 119.83 2wbm s VAL 38 Ca 0.34 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 2wbm s VAL 38 Cb 0.21 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 2wbm s VAL 38 CO 0.31 0.04 0.79 -0.94 0.00 0.00 0.00 175.10 175.30 2wbm s SER 39 N 1.51 7.04 0.40 3.32 1.04 -1.26 -4.88 113.70 120.87 2wbm s SER 39 Ca 0.63 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.65 2wbm s SER 39 Cb -0.32 -2.45 0.86 0.00 0.10 0.00 0.00 66.02 64.21 2wbm s SER 39 CO 0.28 -0.08 1.99 1.62 0.98 0.00 0.00 173.24 178.03 2wbm h VAL 40 N 2.47 1.00 -0.35 5.02 3.04 -1.95 -1.10 116.25 124.38 2wbm h VAL 40 Ca -0.48 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2wbm h VAL 40 Cb 1.19 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.80 2wbm h VAL 40 CO 0.65 0.11 0.21 -0.33 -1.01 0.00 0.00 177.57 177.20 2wbm h GLU 41 N 0.60 0.47 0.00 4.17 3.07 -1.94 -1.51 114.58 119.44 2wbm h GLU 41 Ca 0.27 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 2wbm h GLU 41 Cb 0.29 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2wbm h GLU 41 CO -0.08 0.33 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.17 2wbm h ASP 42 N 0.48 0.00 -0.10 1.42 3.32 -1.60 -3.29 116.42 116.65 2wbm h ASP 42 Ca 0.13 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.96 2wbm h ASP 42 Cb -0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2wbm h ASP 42 CO -0.02 0.25 -0.77 0.58 -1.72 0.00 0.00 179.24 177.55 2wbm h VAL 43 N 0.00 1.30 -3.28 -1.35 2.07 -1.01 -3.45 116.25 110.52 2wbm h VAL 43 Ca -0.00 -2.01 -0.53 0.00 0.82 0.00 0.00 66.70 64.98 2wbm h VAL 43 Cb 1.16 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2wbm h VAL 43 CO 0.03 0.62 0.53 -0.76 0.02 0.00 0.00 177.57 178.02 2wbm s LEU 44 N -8.38 4.39 0.16 2.57 1.43 -0.93 -0.94 118.68 116.97 2wbm s LEU 44 Ca -0.11 2.00 -0.09 0.00 -1.03 0.00 0.00 54.13 54.91 2wbm s LEU 44 Cb 0.07 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2wbm s LEU 44 CO 0.89 -0.41 1.49 0.00 0.23 0.00 0.00 176.35 178.55 2wbm h ALA 45 N 6.47 0.61 -2.93 4.21 0.00 -1.22 -3.45 119.26 122.94 2wbm h ALA 45 Ca -0.42 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 53.86 2wbm h ALA 45 Cb 1.21 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 2wbm h ALA 45 CO 0.79 0.68 -0.57 0.14 0.00 0.00 0.00 179.25 180.29 2wbm s VAL 46 N -4.31 0.08 -1.34 0.00 -7.23 -1.26 -5.07 120.40 101.28 2wbm s VAL 46 Ca -0.10 -0.65 -0.09 0.00 -1.81 0.00 0.00 61.98 59.33 2wbm s VAL 46 Cb 0.11 -0.34 0.12 0.00 0.56 0.00 0.00 36.38 36.83 2wbm s VAL 46 CO 0.87 -0.35 2.13 0.00 -0.31 0.00 0.00 175.10 177.44 2wbm n GLN 47 N 1.74 3.76 -3.95 4.82 6.02 -1.26 -4.75 117.38 123.76 2wbm n GLN 47 Ca -0.21 -3.28 -0.12 0.00 -0.01 0.00 0.00 57.00 53.37 2wbm n GLN 47 Cb 0.56 -2.89 -0.13 0.00 1.02 0.00 0.00 30.24 28.79 2wbm n GLN 47 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2wbm s GLU 48 N 0.52 0.16 -0.22 -1.09 2.02 -1.26 -4.86 118.70 113.97 2wbm s GLU 48 Ca 0.46 -0.22 -0.07 0.00 0.02 0.00 0.00 54.97 55.17 2wbm s GLU 48 Cb 0.13 -0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 2wbm s GLU 48 CO -0.04 0.01 0.05 0.08 0.02 0.00 0.00 175.26 175.38 2wbm s VAL 49 N -0.45 4.40 0.14 2.63 1.01 -1.26 -4.67 120.40 122.20 2wbm s VAL 49 Ca -0.04 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2wbm s VAL 49 Cb -0.03 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2wbm s VAL 49 CO -0.00 0.39 0.25 -0.36 0.00 0.00 0.00 175.10 175.39 2wbm s PHE 50 N 1.08 3.43 0.02 5.22 0.08 0.10 -1.38 117.98 126.53 2wbm s PHE 50 Ca 0.04 0.10 -0.17 0.00 0.12 0.00 0.00 56.93 57.02 2wbm s PHE 50 Cb -0.14 -1.65 -0.32 0.00 -0.57 0.00 0.00 43.02 40.34 2wbm s PHE 50 CO 0.03 0.52 1.01 0.00 -0.10 0.00 0.00 175.22 176.68 2wbm h ARG 51 N 2.26 0.50 -2.76 0.44 3.08 -0.53 0.21 114.38 117.57 2wbm h ARG 51 Ca -0.48 -0.77 -0.39 0.00 0.07 0.00 0.00 59.98 58.41 2wbm h ARG 51 Cb 1.19 0.27 -0.38 0.00 0.08 0.00 0.00 29.97 31.13 2wbm h ARG 51 CO 0.68 1.36 -0.69 0.34 -1.07 0.00 0.00 179.97 180.59 2wbm s ASP 52 N -7.33 1.93 0.39 7.04 -1.08 -0.90 -4.43 116.67 112.28 2wbm s ASP 52 Ca -0.11 -0.47 0.20 0.00 -0.52 0.00 0.00 52.55 51.66 2wbm s ASP 52 Cb 0.04 0.07 0.71 0.00 -1.46 0.00 0.00 42.92 42.28 2wbm s ASP 52 CO 0.91 -0.34 1.75 0.00 0.52 0.00 0.00 175.17 178.00 2wbm h ALA 53 N 8.36 0.99 -0.05 3.66 0.00 -1.85 0.11 119.26 130.49 2wbm h ALA 53 Ca -0.16 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 2wbm h ALA 53 Cb 1.14 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wbm h ALA 53 CO 0.29 0.42 -0.92 0.00 0.00 0.00 0.00 179.25 179.04 2wbm h ARG 54 N 0.00 0.63 0.00 0.00 3.08 -1.96 -3.31 114.38 112.82 2wbm h ARG 54 Ca -0.00 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.43 2wbm h ARG 54 Cb 0.88 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2wbm h ARG 54 CO 0.04 1.22 -0.74 0.87 -1.07 0.00 0.00 179.97 180.29 2wbm h LYS 55 N 0.38 0.00 0.00 0.04 1.57 -1.93 -3.48 116.57 113.15 2wbm h LYS 55 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2wbm h LYS 55 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.87 2wbm h LYS 55 CO 0.18 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.47 2wbm n GLY 56 N 1.30 0.64 3.71 3.86 0.00 0.37 -5.04 105.19 110.04 2wbm n GLY 56 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2wbm n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wbm s ASP 57 N -2.04 7.36 0.12 1.61 -4.77 -1.11 -4.97 116.67 112.87 2wbm s ASP 57 Ca 0.00 1.65 0.05 0.00 -3.30 0.00 0.00 52.55 50.94 2wbm s ASP 57 Cb 0.00 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 2wbm s ASP 57 CO 0.00 -0.24 0.07 -0.54 0.70 0.00 0.00 175.17 175.15 2wbm s LYS 58 N 0.95 2.75 0.38 2.11 1.02 -1.26 0.11 119.74 125.81 2wbm s LYS 58 Ca 0.51 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 55.43 2wbm s LYS 58 Cb -0.21 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 2wbm s LYS 58 CO 0.28 0.52 1.08 0.00 -0.92 0.00 0.00 175.35 176.31 2wbm s ALA 59 N -1.51 3.14 0.49 5.17 0.00 -0.48 -4.52 121.76 124.05 2wbm s ALA 59 Ca 0.29 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 2wbm s ALA 59 Cb -0.11 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 2wbm s ALA 59 CO 0.21 -0.27 1.04 -1.54 0.00 0.00 0.00 175.76 175.20 2wbm s SER 60 N -1.39 6.32 0.36 0.00 1.04 -1.26 -4.95 113.70 113.82 2wbm s SER 60 Ca 0.56 1.93 0.04 0.00 0.48 0.00 0.00 55.95 58.96 2wbm s SER 60 Cb -0.25 -2.56 0.68 0.00 0.10 0.00 0.00 66.02 63.99 2wbm s SER 60 CO 0.31 -0.80 1.98 -0.33 0.98 0.00 0.00 173.24 175.38 2wbm h GLU 61 N 1.52 0.66 -0.41 4.02 5.08 -1.95 -2.20 114.58 121.29 2wbm h GLU 61 Ca -0.49 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.75 2wbm h GLU 61 Cb 1.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2wbm h GLU 61 CO 0.59 0.50 0.08 1.49 -1.00 0.00 0.00 179.01 180.67 2wbm h GLU 62 N 0.66 0.67 -0.76 2.33 4.57 -1.98 -0.86 114.58 119.21 2wbm h GLU 62 Ca 0.17 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2wbm h GLU 62 Cb 0.06 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2wbm h GLU 62 CO -0.02 0.70 0.36 0.00 -1.18 0.00 0.00 179.01 178.87 2wbm h ALA 63 N 0.94 0.99 -0.60 2.92 0.00 -1.88 -0.79 119.26 120.83 2wbm h ALA 63 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2wbm h ALA 63 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2wbm h ALA 63 CO 0.01 0.56 0.11 0.52 0.00 0.00 0.00 179.25 180.45 2wbm h MET 64 N 1.08 0.98 -0.75 0.00 2.86 -1.14 -1.72 114.93 116.25 2wbm h MET 64 Ca 0.26 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2wbm h MET 64 Cb 0.13 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2wbm h MET 64 CO -0.03 0.92 0.31 0.00 1.06 0.00 0.00 176.91 179.16 2wbm h ARG 65 N 0.89 1.10 -0.51 1.72 3.08 -0.88 0.41 114.38 120.17 2wbm h ARG 65 Ca 0.18 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wbm h ARG 65 Cb 0.40 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2wbm h ARG 65 CO 0.01 0.88 0.23 -0.22 -1.07 0.00 0.00 179.97 179.80 2wbm h LYS 66 N 1.08 0.75 0.12 0.04 1.63 -0.81 -1.09 116.57 118.29 2wbm h LYS 66 Ca 0.25 -0.12 -0.30 0.00 -0.85 0.00 0.00 60.65 59.63 2wbm h LYS 66 Cb 0.19 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2wbm h LYS 66 CO -0.02 0.64 -1.56 0.28 -3.45 0.00 0.00 179.45 175.33 2wbm h VAL 67 N 0.69 0.93 0.00 2.00 2.07 -1.03 -3.40 116.25 117.50 2wbm h VAL 67 Ca 0.17 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2wbm h VAL 67 Cb 0.15 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2wbm h VAL 67 CO -0.02 0.73 -0.62 0.49 0.02 0.00 0.00 177.57 178.17 2wbm n PHE 68 N -3.83 0.00 -1.45 1.57 3.72 0.14 -4.99 117.46 112.62 2wbm n PHE 68 Ca -0.27 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 56.98 2wbm n PHE 68 Cb 0.94 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 39.40 2wbm n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2wbm n GLU 69 N -1.32 -1.09 -3.60 -1.08 1.02 -0.41 -4.98 120.64 109.18 2wbm n GLU 69 Ca 0.02 1.04 -0.16 0.00 -0.02 0.00 0.00 57.16 58.04 2wbm n GLU 69 Cb 0.20 -5.20 -0.07 0.00 -0.02 0.00 0.00 31.44 26.35 2wbm n GLU 69 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2wbm s THR 70 N -2.56 0.01 -1.23 2.62 -1.32 -1.25 -4.93 115.64 106.98 2wbm s THR 70 Ca 0.00 -0.12 0.12 0.00 -1.21 0.00 0.00 61.69 60.49 2wbm s THR 70 Cb 0.00 -0.88 0.27 0.00 -1.51 0.00 0.00 72.50 70.37 2wbm s THR 70 CO 0.00 -0.06 1.16 0.00 -2.21 0.00 0.00 174.62 173.51 2wbm n ALA 71 N 1.27 2.29 -2.45 11.08 0.00 -1.26 -3.38 120.51 128.06 2wbm n ALA 71 Ca -0.19 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 51.84 2wbm n ALA 71 Cb 0.57 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 2wbm n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wbm s ASP 72 N -1.02 6.65 0.54 0.00 -1.08 -1.26 -4.92 116.67 115.58 2wbm s ASP 72 Ca 0.23 1.07 0.25 0.00 -0.52 0.00 0.00 52.55 53.57 2wbm s ASP 72 Cb 0.13 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.47 2wbm s ASP 72 CO 0.17 -1.13 2.03 -0.65 0.52 0.00 0.00 175.17 176.12 2wbm h PRO 73 N 9.37 0.00 0.00 4.34 0.11 -1.93 0.15 132.00 144.03 2wbm h PRO 73 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wbm h PRO 73 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wbm h PRO 73 CO 1.05 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.77 2wbm h LEU 74 N 0.00 0.00 0.00 2.35 3.38 -1.93 -1.35 115.31 117.76 2wbm h LEU 74 Ca 0.18 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.80 2wbm h LEU 74 Cb 0.78 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2wbm h LEU 74 CO -0.00 0.00 -2.31 -0.62 0.09 0.00 0.00 178.44 175.59 2wbm n GLU 75 N -2.48 0.68 -0.03 1.13 1.02 0.27 -4.42 120.64 116.81 2wbm n GLU 75 Ca 0.04 0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 2wbm n GLU 75 Cb 0.39 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 2wbm n GLU 75 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wbm h VAL 76 N 0.00 1.35 -0.69 2.62 2.07 -0.86 -3.37 116.25 117.37 2wbm h VAL 76 Ca -0.51 -1.81 0.07 0.00 0.82 0.00 0.00 66.70 65.27 2wbm h VAL 76 Cb 2.19 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 34.00 2wbm h VAL 76 CO 0.03 0.55 0.38 0.74 0.02 0.00 0.00 177.57 179.29 2wbm h THR 77 N 0.21 0.94 -0.37 2.57 2.02 -1.45 -1.63 112.91 115.19 2wbm h THR 77 Ca -0.03 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 66.93 2wbm h THR 77 Cb 1.15 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2wbm h THR 77 CO 0.11 0.12 0.25 -0.65 0.37 0.00 0.00 175.52 175.72 2wbm h PRO 78 N 0.68 0.45 -0.28 6.66 0.11 -1.77 0.13 132.00 137.98 2wbm h PRO 78 Ca 0.31 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 2wbm h PRO 78 Cb 0.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2wbm h PRO 78 CO -0.20 0.30 -0.13 0.28 -0.21 0.00 0.00 178.00 178.04 2wbm h VAL 79 N 0.46 1.30 -0.40 3.15 2.07 -1.49 -0.81 116.25 120.53 2wbm h VAL 79 Ca 0.14 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2wbm h VAL 79 Cb 0.00 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2wbm h VAL 79 CO -0.03 0.38 0.21 0.40 0.02 0.00 0.00 177.57 178.56 2wbm h ILE 80 N 0.32 1.15 -0.77 4.57 2.04 -0.75 0.38 117.51 124.46 2wbm h ILE 80 Ca 0.06 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2wbm h ILE 80 Cb 0.64 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 2wbm h ILE 80 CO 0.04 0.16 0.39 -0.07 0.00 0.00 0.00 178.15 178.67 2wbm h LEU 81 N 0.51 0.99 0.00 1.44 3.38 -0.71 0.46 115.31 121.37 2wbm h LEU 81 Ca 0.14 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 2wbm h LEU 81 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2wbm h LEU 81 CO -0.02 0.83 -1.16 0.03 0.09 0.00 0.00 178.44 178.21 2wbm h ARG 82 N 1.08 0.00 0.00 1.13 3.08 -0.93 -3.38 114.38 115.36 2wbm h ARG 82 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2wbm h ARG 82 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2wbm h ARG 82 CO -0.04 0.66 -0.87 0.54 -1.07 0.00 0.00 179.97 179.19 2wbm n ARG 83 N -3.18 2.32 -0.49 0.04 5.12 0.11 -5.05 116.66 115.53 2wbm n ARG 83 Ca -0.06 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2wbm n ARG 83 Cb 0.92 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 2wbm n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wbm n GLY 84 N 1.48 1.72 3.68 -0.13 0.00 0.15 -5.01 105.19 107.08 2wbm n GLY 84 Ca 0.01 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 2wbm n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wbm s THR 85 N 1.33 2.15 -0.12 2.61 -4.23 0.63 -4.92 115.64 113.09 2wbm s THR 85 Ca 0.00 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2wbm s THR 85 Cb 0.00 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 2wbm s THR 85 CO 0.00 -0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2wbm s ILE 86 N -2.66 3.01 -0.17 2.99 -1.09 -1.26 -0.96 121.20 121.06 2wbm s ILE 86 Ca 0.38 -0.68 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 2wbm s ILE 86 Cb 0.07 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 2wbm s ILE 86 CO 0.20 0.53 -0.09 -1.10 -1.23 0.00 0.00 174.94 173.26 2wbm s GLN 87 N 0.27 3.41 0.11 2.79 -1.52 0.74 -5.00 119.66 120.46 2wbm s GLN 87 Ca -0.10 -0.64 0.09 0.00 -1.95 0.00 0.00 55.36 52.76 2wbm s GLN 87 Cb -0.16 -2.81 -0.04 0.00 -0.22 0.00 0.00 33.01 29.78 2wbm s GLN 87 CO 0.06 0.05 -0.19 -0.51 -0.25 0.00 0.00 175.29 174.44 2wbm s LEU 88 N 0.80 2.64 0.78 2.90 1.43 -1.26 -2.44 118.68 123.53 2wbm s LEU 88 Ca -0.03 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2wbm s LEU 88 Cb -0.15 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.63 2wbm s LEU 88 CO 0.01 0.18 1.13 0.42 0.23 0.00 0.00 176.35 178.32 2wbm s THR 89 N -1.12 2.80 0.19 5.49 -4.23 -1.26 -4.86 115.64 112.65 2wbm s THR 89 Ca 0.17 0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.81 2wbm s THR 89 Cb -0.10 -3.17 0.10 0.00 1.34 0.00 0.00 72.50 70.66 2wbm s THR 89 CO 0.09 -0.34 1.85 0.00 -0.54 0.00 0.00 174.62 175.69 2wbm h ALA 90 N -0.96 0.78 -0.76 3.99 0.00 -2.01 -1.20 119.26 119.11 2wbm h ALA 90 Ca -0.46 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2wbm h ALA 90 Cb 1.29 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2wbm h ALA 90 CO 0.63 0.20 0.27 1.49 0.00 0.00 0.00 179.25 181.84 2wbm h GLU 91 N 0.82 1.16 -0.35 0.00 4.57 -2.00 -1.94 114.58 116.85 2wbm h GLU 91 Ca 0.23 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2wbm h GLU 91 Cb -0.08 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.31 2wbm h GLU 91 CO -0.05 0.97 0.07 1.96 -1.18 0.00 0.00 179.01 180.78 2wbm h GLN 92 N 1.12 0.58 -0.49 1.92 4.20 -1.85 -0.71 115.11 119.87 2wbm h GLN 92 Ca 0.25 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.84 2wbm h GLN 92 Cb 0.27 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 2wbm h GLN 92 CO -0.01 0.64 0.28 -0.09 -0.67 0.00 0.00 178.83 178.97 2wbm h ARG 93 N 0.42 0.53 0.19 1.46 2.43 -1.10 0.62 114.38 118.93 2wbm h ARG 93 Ca 0.11 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wbm h ARG 93 Cb 0.33 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2wbm h ARG 93 CO 0.00 0.35 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.59 2wbm h ARG 94 N 0.55 -0.33 -0.56 0.20 2.43 -1.12 -0.97 114.38 114.57 2wbm h ARG 94 Ca 0.20 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2wbm h ARG 94 Cb 0.05 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2wbm h ARG 94 CO -0.11 -0.22 0.11 1.96 -1.51 0.00 0.00 179.97 180.21 2wbm h GLN 95 N -0.34 0.92 -0.37 0.20 4.20 -1.00 -2.22 115.11 116.50 2wbm h GLN 95 Ca -0.01 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 2wbm h GLN 95 Cb 0.30 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2wbm h GLN 95 CO -0.00 0.87 -0.05 0.52 -0.67 0.00 0.00 178.83 179.50 2wbm h MET 96 N 0.82 0.68 -0.25 1.46 2.86 -0.81 -1.00 114.93 118.69 2wbm h MET 96 Ca 0.17 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2wbm h MET 96 Cb 0.38 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2wbm h MET 96 CO 0.01 0.82 0.16 0.82 1.06 0.00 0.00 176.91 179.77 2wbm h ILE 97 N 0.49 1.04 -0.44 -1.22 2.04 -1.16 -0.47 117.51 117.80 2wbm h ILE 97 Ca 0.10 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2wbm h ILE 97 Cb 0.54 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2wbm h ILE 97 CO 0.03 0.06 0.24 -0.08 0.00 0.00 0.00 178.15 178.39 2wbm h GLU 98 N 0.32 0.62 -0.08 2.37 4.57 -1.29 0.27 114.58 121.36 2wbm h GLU 98 Ca 0.10 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2wbm h GLU 98 Cb -0.02 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2wbm h GLU 98 CO -0.04 0.50 0.05 0.22 -1.18 0.00 0.00 179.01 178.57 2wbm h ASP 99 N 0.57 0.09 -0.20 1.04 3.58 -1.06 -2.31 116.42 118.14 2wbm h ASP 99 Ca 0.15 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 2wbm h ASP 99 Cb 0.07 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2wbm h ASP 99 CO -0.02 0.07 -0.35 0.11 -2.88 0.00 0.00 179.24 176.16 2wbm h LYS 100 N 0.11 0.73 -0.35 0.28 1.57 -0.83 -2.37 116.57 115.70 2wbm h LYS 100 Ca 0.03 -0.35 0.04 0.00 -1.87 0.00 0.00 60.65 58.49 2wbm h LYS 100 Cb -0.01 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2wbm h LYS 100 CO -0.01 0.97 0.13 -0.09 -0.57 0.00 0.00 179.45 179.88 2wbm h ARG 101 N 0.61 0.28 -0.59 3.15 2.43 -0.32 0.13 114.38 120.07 2wbm h ARG 101 Ca 0.06 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2wbm h ARG 101 Cb 0.89 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 2wbm h ARG 101 CO 0.08 0.18 0.17 1.25 -1.51 0.00 0.00 179.97 180.14 2wbm h LEU 102 N 0.29 0.87 -0.83 3.80 5.85 -1.34 -1.32 115.31 122.61 2wbm h LEU 102 Ca 0.15 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 2wbm h LEU 102 Cb 0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2wbm h LEU 102 CO -0.15 0.86 0.02 0.11 -0.34 0.00 0.00 178.44 178.94 2wbm h LYS 103 N 0.83 0.90 -0.21 1.25 1.57 -0.95 -1.20 116.57 118.75 2wbm h LYS 103 Ca 0.19 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2wbm h LYS 103 Cb 0.31 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2wbm h LYS 103 CO -0.00 0.88 0.04 0.82 -0.57 0.00 0.00 179.45 180.62 2wbm h ILE 104 N 0.84 1.22 -0.36 1.86 2.04 -0.56 -0.18 117.51 122.36 2wbm h ILE 104 Ca 0.16 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2wbm h ILE 104 Cb 0.46 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2wbm h ILE 104 CO 0.02 0.22 0.12 0.40 0.00 0.00 0.00 178.15 178.91 2wbm h ILE 105 N 0.15 0.88 -0.58 -0.67 2.04 -1.01 -0.98 117.51 117.34 2wbm h ILE 105 Ca 0.06 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2wbm h ILE 105 Cb 0.30 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2wbm h ILE 105 CO 0.00 0.05 0.09 0.78 0.00 0.00 0.00 178.15 179.07 2wbm h ASN 106 N 0.26 0.92 -0.41 1.72 2.35 -1.04 -0.51 115.58 118.87 2wbm h ASN 106 Ca 0.17 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 2wbm h ASN 106 Cb 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2wbm h ASN 106 CO -0.18 0.95 -0.02 0.50 -1.65 0.00 0.00 177.43 177.03 2wbm h LYS 107 N 0.85 0.74 -0.38 0.81 1.63 -0.79 0.38 116.57 119.81 2wbm h LYS 107 Ca 0.17 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2wbm h LYS 107 Cb 0.42 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2wbm h LYS 107 CO 0.01 0.83 0.20 0.82 -3.45 0.00 0.00 179.45 177.86 2wbm h ILE 108 N 0.57 1.15 -0.41 2.00 2.04 -1.10 -1.72 117.51 120.04 2wbm h ILE 108 Ca 0.11 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2wbm h ILE 108 Cb 0.51 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2wbm h ILE 108 CO 0.02 0.16 0.15 0.00 0.00 0.00 0.00 178.15 178.49 2wbm h ALA 109 N 1.06 1.50 -0.29 1.87 0.00 -0.82 -0.42 119.26 122.15 2wbm h ALA 109 Ca 0.13 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2wbm h ALA 109 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wbm h ALA 109 CO -0.02 0.39 -0.24 -0.09 0.00 0.00 0.00 179.25 179.29 2wbm h ARG 110 N 0.59 0.68 0.00 0.00 2.43 -0.71 -3.36 114.38 114.01 2wbm h ARG 110 Ca 0.14 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2wbm h ARG 110 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2wbm h ARG 110 CO -0.01 0.95 -1.28 0.39 -1.51 0.00 0.00 179.97 178.51 2wbm n GLU 111 N -4.31 0.62 -3.30 0.20 -0.58 -0.67 -0.55 120.64 112.06 2wbm n GLU 111 Ca -0.04 0.08 -0.30 0.00 -0.42 0.00 0.00 57.16 56.48 2wbm n GLU 111 Cb 0.44 -1.76 -0.04 0.00 -0.57 0.00 0.00 31.44 29.51 2wbm n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wbm s ALA 112 N -3.31 3.57 0.23 0.62 0.00 -0.20 -2.07 121.76 120.61 2wbm s ALA 112 Ca -0.02 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.56 2wbm s ALA 112 Cb 0.10 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 2wbm s ALA 112 CO 0.82 0.29 -0.04 0.96 0.00 0.00 0.00 175.76 177.78 2wbm s ILE 113 N -2.04 1.29 -0.43 0.00 -4.36 0.33 -2.15 121.20 113.85 2wbm s ILE 113 Ca 0.46 -2.08 -0.26 0.00 -0.26 0.00 0.00 60.65 58.51 2wbm s ILE 113 Cb -0.11 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.34 2wbm s ILE 113 CO 0.27 -0.40 0.93 0.21 0.24 0.00 0.00 174.94 176.20 2wbm s ASN 114 N -3.33 6.57 0.37 4.36 3.84 0.75 -2.04 114.94 125.45 2wbm s ASN 114 Ca 0.27 0.30 0.26 0.00 0.21 0.00 0.00 52.86 53.90 2wbm s ASN 114 Cb 0.04 -2.46 1.28 0.00 -0.55 0.00 0.00 41.25 39.57 2wbm s ASN 114 CO 0.08 -0.98 1.80 1.55 -2.79 0.00 0.00 177.10 176.76 2wbm h PRO 115 N 8.86 0.00 -0.04 0.43 0.13 -1.88 0.22 132.00 139.71 2wbm h PRO 115 Ca -0.24 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.74 2wbm h PRO 115 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2wbm h PRO 115 CO 1.01 0.00 -0.65 1.96 -0.23 0.00 0.00 178.00 180.10 2wbm h GLN 116 N 0.00 0.17 0.00 0.86 4.20 -1.92 -3.37 115.11 115.05 2wbm h GLN 116 Ca 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2wbm h GLN 116 Cb 0.17 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2wbm h GLN 116 CO 0.00 0.76 0.00 0.27 -0.67 0.00 0.00 178.83 179.19 2wbm n ASN 117 N -3.82 0.28 0.00 1.46 0.23 -1.03 -5.02 115.26 107.35 2wbm n ASN 117 Ca -0.02 -0.65 0.00 0.00 -0.53 0.00 0.00 54.58 53.38 2wbm n ASN 117 Cb 0.64 0.25 0.00 0.00 -2.08 0.00 0.00 39.78 38.59 2wbm n ASN 117 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wbm n GLY 118 N 0.25 0.78 3.92 4.83 0.00 0.74 -5.03 105.19 110.67 2wbm n GLY 118 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2wbm n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wbm s LEU 119 N 0.00 3.91 0.63 0.99 1.43 -1.23 -4.73 118.68 119.68 2wbm s LEU 119 Ca 0.00 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 2wbm s LEU 119 Cb 0.00 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2wbm s LEU 119 CO 0.00 -0.35 1.12 -2.84 0.23 0.00 0.00 176.35 174.50 2wbm s PRO 120 N -4.27 2.91 -0.21 1.29 0.02 -1.26 -0.18 135.00 133.31 2wbm s PRO 120 Ca 0.43 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.77 2wbm s PRO 120 Cb -0.10 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 2wbm s PRO 120 CO 0.37 -1.17 0.24 -1.01 -0.33 0.00 0.00 177.00 175.11 2wbm s HIS 121 N -2.21 3.36 0.67 6.54 3.76 -1.26 -4.77 115.29 121.38 2wbm s HIS 121 Ca 0.68 0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 55.82 2wbm s HIS 121 Cb -0.21 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.14 2wbm s HIS 121 CO 0.38 0.09 1.26 -2.14 -0.85 0.00 0.00 174.74 173.49 2wbm s PRO 122 N 0.98 2.46 0.28 8.40 0.02 -1.26 -4.72 135.00 141.17 2wbm s PRO 122 Ca 0.12 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.12 2wbm s PRO 122 Cb -0.13 -1.85 0.69 0.00 0.02 0.00 0.00 34.50 33.23 2wbm s PRO 122 CO 0.05 -1.64 1.66 -1.35 -0.33 0.00 0.00 177.00 175.39 2wbm h PRO 123 N 0.34 0.24 -0.63 5.54 0.11 -1.91 -0.88 132.00 134.81 2wbm h PRO 123 Ca -0.50 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.69 2wbm h PRO 123 Cb 1.32 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 2wbm h PRO 123 CO 0.52 0.16 0.42 0.87 -0.21 0.00 0.00 178.00 179.76 2wbm h LYS 124 N 0.25 0.46 -0.20 1.05 1.57 -1.96 -0.75 116.57 116.99 2wbm h LYS 124 Ca 0.54 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 59.09 2wbm h LYS 124 Cb 1.07 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.29 2wbm h LYS 124 CO -0.62 0.30 -0.67 -0.09 -0.57 0.00 0.00 179.45 177.80 2wbm h ARG 125 N 0.47 0.80 -0.36 3.15 9.65 -1.51 -1.80 114.38 124.78 2wbm h ARG 125 Ca 0.29 -0.60 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 2wbm h ARG 125 Cb 0.51 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 2wbm h ARG 125 CO -0.09 1.22 0.18 0.82 2.80 0.00 0.00 179.97 184.91 2wbm h ILE 126 N 0.55 1.16 -0.58 1.20 1.08 -1.21 -1.54 117.51 118.17 2wbm h ILE 126 Ca -0.03 -0.43 0.04 0.00 -0.39 0.00 0.00 64.86 64.05 2wbm h ILE 126 Cb 1.30 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 2wbm h ILE 126 CO 0.14 0.16 0.33 -0.08 -0.69 0.00 0.00 178.15 178.02 2wbm h GLU 127 N 0.45 0.63 -0.82 2.37 4.81 -1.10 -1.14 114.58 119.78 2wbm h GLU 127 Ca 0.13 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2wbm h GLU 127 Cb 0.09 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2wbm h GLU 127 CO -0.02 0.42 0.38 0.87 -0.73 0.00 0.00 179.01 179.93 2wbm h LYS 128 N 0.65 1.20 -0.62 1.92 6.56 -1.10 -2.05 116.57 123.13 2wbm h LYS 128 Ca 0.24 -0.19 -0.03 0.00 -1.06 0.00 0.00 60.65 59.62 2wbm h LYS 128 Cb 0.08 -0.21 -0.03 0.00 -0.57 0.00 0.00 32.23 31.50 2wbm h LYS 128 CO -0.13 0.93 0.27 0.00 -2.06 0.00 0.00 179.45 178.47 2wbm h ALA 129 N 1.20 0.80 -0.90 3.86 0.00 -0.83 -1.36 119.26 122.03 2wbm h ALA 129 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wbm h ALA 129 Cb 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2wbm h ALA 129 CO -0.03 0.39 0.56 0.52 0.00 0.00 0.00 179.25 180.69 2wbm h MET 130 N 0.86 1.21 -0.24 0.00 2.86 -0.90 -0.68 114.93 118.04 2wbm h MET 130 Ca 0.21 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2wbm h MET 130 Cb 0.16 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2wbm h MET 130 CO -0.02 0.84 0.06 0.93 1.06 0.00 0.00 176.91 179.77 2wbm h GLU 131 N 1.23 0.39 -0.84 1.72 5.08 -1.11 -0.37 114.58 120.69 2wbm h GLU 131 Ca 0.33 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2wbm h GLU 131 Cb -0.08 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2wbm h GLU 131 CO -0.06 0.49 0.55 0.93 -1.00 0.00 0.00 179.01 179.92 2wbm h GLU 132 N 0.22 1.00 -0.01 2.33 5.08 -0.93 -1.05 114.58 121.22 2wbm h GLU 132 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wbm h GLU 132 Cb 0.28 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2wbm h GLU 132 CO 0.00 0.66 -0.05 0.00 -1.00 0.00 0.00 179.01 178.62 2wbm n ALA 133 N -2.41 2.70 -3.70 3.43 0.00 -0.29 -4.93 120.51 115.30 2wbm n ALA 133 Ca 0.11 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2wbm n ALA 133 Cb 0.12 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.27 2wbm n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wbm n ARG 134 N -0.72 -5.85 -2.10 0.00 1.74 -0.40 -4.93 116.66 104.41 2wbm n ARG 134 Ca 0.18 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.52 2wbm n ARG 134 Cb 0.25 -5.49 -0.03 0.00 -1.02 0.00 0.00 32.46 26.17 2wbm n ARG 134 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wbm s VAL 135 N -3.46 3.20 -0.30 1.55 1.01 -0.25 -5.01 120.40 117.13 2wbm s VAL 135 Ca 0.27 0.81 -0.10 0.00 0.00 0.00 0.00 61.98 62.97 2wbm s VAL 135 Cb -0.13 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2wbm s VAL 135 CO 0.79 0.05 0.15 -1.00 0.00 0.00 0.00 175.10 175.08 2wbm s HIS 136 N 1.48 3.17 0.09 5.22 3.76 -1.26 -4.90 115.29 122.86 2wbm s HIS 136 Ca 0.67 -0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 54.76 2wbm s HIS 136 Cb -0.38 -2.35 -0.05 0.00 1.11 0.00 0.00 32.58 30.91 2wbm s HIS 136 CO 0.30 -0.43 0.99 0.08 -0.85 0.00 0.00 174.74 174.83 2wbm s VAL 137 N 1.62 4.49 0.24 -0.90 1.01 -1.26 -5.04 120.40 120.57 2wbm s VAL 137 Ca 0.05 2.00 -0.29 0.00 0.00 0.00 0.00 61.98 63.74 2wbm s VAL 137 Cb -0.17 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 2wbm s VAL 137 CO 0.06 0.27 0.92 -0.62 0.00 0.00 0.00 175.10 175.74 2wbm s ASP 138 N 0.23 7.57 0.42 3.32 2.15 -1.26 -4.90 116.67 124.20 2wbm s ASP 138 Ca 0.49 1.89 0.19 0.00 0.43 0.00 0.00 52.55 55.55 2wbm s ASP 138 Cb -0.24 -2.59 0.95 0.00 -0.30 0.00 0.00 42.92 40.74 2wbm s ASP 138 CO 0.30 0.13 1.88 1.55 -0.17 0.00 0.00 175.17 178.86 2wbm h PRO 139 N 4.01 0.00 0.00 4.34 0.13 -1.87 -3.40 132.00 135.22 2wbm h PRO 139 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 2wbm h PRO 139 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2wbm h PRO 139 CO 0.67 0.28 -1.75 0.34 -0.23 0.00 0.00 178.00 177.32 2wbm n PHE 140 N -3.78 0.00 -1.62 1.56 7.35 -1.26 -4.56 117.46 115.16 2wbm n PHE 140 Ca -0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.24 2wbm n PHE 140 Cb 0.38 -0.50 -0.01 0.00 0.35 0.00 0.00 39.48 39.70 2wbm n PHE 140 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2wbm n LYS 141 N -3.15 1.53 -1.71 -4.13 5.02 -1.26 -4.84 118.16 109.62 2wbm n LYS 141 Ca -0.24 0.54 -0.38 0.00 -2.02 0.00 0.00 58.31 56.21 2wbm n LYS 141 Cb 0.73 -1.99 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 2wbm n LYS 141 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wbm n THR 142 N 0.13 4.49 -0.24 -0.18 -2.24 -1.26 -4.80 114.28 110.18 2wbm n THR 142 Ca 0.08 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 2wbm n THR 142 Cb 0.34 -1.48 0.15 0.00 -2.10 0.00 0.00 70.33 67.24 2wbm n THR 142 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wbm h VAL 143 N 0.75 0.72 -0.35 2.28 2.07 -1.95 -1.29 116.25 118.48 2wbm h VAL 143 Ca -0.50 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 66.94 2wbm h VAL 143 Cb 1.34 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 2wbm h VAL 143 CO 0.54 0.08 -0.14 0.44 0.02 0.00 0.00 177.57 178.50 2wbm h ASP 144 N 0.44 -0.50 -0.55 0.57 3.32 -1.99 0.16 116.42 117.87 2wbm h ASP 144 Ca 0.37 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.49 2wbm h ASP 144 Cb 0.50 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2wbm h ASP 144 CO -0.36 -0.18 0.13 -0.08 -1.72 0.00 0.00 179.24 177.04 2wbm h GLU 145 N -0.08 0.88 -0.04 3.56 4.81 -1.82 -3.14 114.58 118.76 2wbm h GLU 145 Ca 0.17 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2wbm h GLU 145 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2wbm h GLU 145 CO -0.40 0.83 -0.54 1.96 -0.73 0.00 0.00 179.01 180.13 2wbm h GLN 146 N 0.78 0.10 -0.54 1.92 4.20 -0.72 -3.03 115.11 117.82 2wbm h GLN 146 Ca 0.17 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.90 2wbm h GLN 146 Cb 0.35 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2wbm h GLN 146 CO 0.00 0.61 0.20 0.28 -0.67 0.00 0.00 178.83 179.25 2wbm h VAL 147 N 0.08 0.81 -0.61 -0.54 2.07 -0.64 0.21 116.25 117.63 2wbm h VAL 147 Ca -0.00 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 2wbm h VAL 147 Cb 0.97 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2wbm h VAL 147 CO 0.08 0.07 0.03 0.78 0.02 0.00 0.00 177.57 178.54 2wbm h ASN 148 N 0.38 1.03 -0.07 0.57 2.35 -1.60 0.65 115.58 118.90 2wbm h ASN 148 Ca 0.27 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2wbm h ASN 148 Cb 0.29 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 2wbm h ASN 148 CO -0.26 1.06 0.04 0.40 -1.65 0.00 0.00 177.43 177.01 2wbm h ILE 149 N 0.97 1.07 -0.47 2.81 2.04 -1.32 -2.60 117.51 120.01 2wbm h ILE 149 Ca 0.18 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2wbm h ILE 149 Cb 0.52 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2wbm h ILE 149 CO 0.02 0.06 -0.02 0.58 0.00 0.00 0.00 178.15 178.79 2wbm h VAL 150 N 0.03 1.26 -0.59 1.67 2.07 -0.47 -2.13 116.25 118.11 2wbm h VAL 150 Ca 0.02 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.51 2wbm h VAL 150 Cb 0.06 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 2wbm h VAL 150 CO -0.00 0.38 0.28 0.25 0.02 0.00 0.00 177.57 178.50 2wbm h LEU 151 N 0.69 0.38 -0.89 2.57 5.85 -0.86 -0.60 115.31 122.45 2wbm h LEU 151 Ca 0.13 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2wbm h LEU 151 Cb 0.54 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2wbm h LEU 151 CO 0.03 0.25 0.55 0.50 -0.34 0.00 0.00 178.44 179.42 2wbm h LYS 152 N 0.53 1.20 -0.59 1.25 3.64 -1.21 -1.75 116.57 119.64 2wbm h LYS 152 Ca 0.27 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2wbm h LYS 152 Cb 0.22 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2wbm h LYS 152 CO -0.21 0.83 0.03 0.00 -2.27 0.00 0.00 179.45 177.83 2wbm h ALA 153 N 1.30 0.94 0.00 5.00 0.00 -0.62 -3.25 119.26 122.62 2wbm h ALA 153 Ca 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wbm h ALA 153 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2wbm h ALA 153 CO -0.06 0.64 -0.62 0.44 0.00 0.00 0.00 179.25 179.65 2wbm n ILE 154 N -4.20 0.30 0.30 0.00 -5.35 -0.33 -4.11 119.36 105.98 2wbm n ILE 154 Ca 0.03 -0.24 0.11 0.00 -0.27 0.00 0.00 62.75 62.38 2wbm n ILE 154 Cb 0.32 -0.08 0.51 0.00 -1.74 0.00 0.00 39.64 38.65 2wbm n ILE 154 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2wbm n ARG 155 N -2.03 0.16 0.07 6.28 1.85 -0.68 -0.27 116.66 122.04 2wbm n ARG 155 Ca 0.03 0.50 0.12 0.00 -1.00 0.00 0.00 57.85 57.51 2wbm n ARG 155 Cb 0.43 -1.88 0.26 0.00 -1.05 0.00 0.00 32.46 30.21 2wbm n ARG 155 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2wbm n THR 156 N -2.21 0.38 -0.05 8.89 -2.24 -1.26 -4.19 114.28 113.60 2wbm n THR 156 Ca 0.01 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 2wbm n THR 156 Cb 0.15 -0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.01 2wbm n THR 156 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wbm n LYS 157 N -2.08 0.71 -4.13 -0.78 4.76 0.63 -4.99 118.16 112.27 2wbm n LYS 157 Ca 0.04 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2wbm n LYS 157 Cb 0.43 -1.64 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 2wbm n LYS 157 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2wbm s ILE 158 N -2.54 0.71 -0.22 -0.18 -4.36 -0.65 -5.08 121.20 108.88 2wbm s ILE 158 Ca -0.25 -1.55 -0.29 0.00 -0.26 0.00 0.00 60.65 58.30 2wbm s ILE 158 Cb 0.08 -1.21 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 2wbm s ILE 158 CO 0.72 -0.61 1.43 -2.84 0.24 0.00 0.00 174.94 173.87 2wbm s PRO 159 N -2.73 3.99 -0.16 0.37 0.02 -1.26 -4.41 135.00 130.81 2wbm s PRO 159 Ca 0.02 1.58 -0.20 0.00 0.02 0.00 0.00 61.00 62.42 2wbm s PRO 159 Cb -0.02 -3.91 0.05 0.00 0.02 0.00 0.00 34.50 30.64 2wbm s PRO 159 CO -0.02 -1.04 0.53 -1.50 -0.33 0.00 0.00 177.00 174.65 2wbm s ILE 160 N 4.37 0.01 -0.15 2.83 2.07 -1.26 -4.28 121.20 124.78 2wbm s ILE 160 Ca 0.62 -0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 59.58 2wbm s ILE 160 Cb -0.22 -0.77 0.06 0.00 0.13 0.00 0.00 42.46 41.65 2wbm s ILE 160 CO 0.23 -0.03 0.59 -0.75 -1.91 0.00 0.00 174.94 173.08 2wbm s LYS 161 N -0.10 0.80 -0.06 3.50 2.20 -0.87 -4.89 119.74 120.33 2wbm s LYS 161 Ca -0.03 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 55.84 2wbm s LYS 161 Cb -0.03 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 2wbm s LYS 161 CO 0.02 -0.16 1.03 -0.06 -0.36 0.00 0.00 175.35 175.82 2wbm s PHE 162 N -0.29 3.53 -0.22 4.03 0.40 -1.26 -0.51 117.98 123.65 2wbm s PHE 162 Ca -0.05 1.58 -0.15 0.00 -0.60 0.00 0.00 56.93 57.71 2wbm s PHE 162 Cb -0.03 -3.20 0.07 0.00 0.51 0.00 0.00 43.02 40.36 2wbm s PHE 162 CO 0.04 -0.31 0.57 -2.00 0.70 0.00 0.00 175.22 174.22 2wbm s GLU 163 N 1.64 0.60 0.39 0.44 2.12 -0.88 -4.93 118.70 118.08 2wbm s GLU 163 Ca 0.51 0.95 -0.19 0.00 0.36 0.00 0.00 54.97 56.59 2wbm s GLU 163 Cb -0.20 0.15 -0.10 0.00 0.26 0.00 0.00 34.13 34.24 2wbm s GLU 163 CO 0.22 -0.13 0.89 0.15 -0.54 0.00 0.00 175.26 175.85 2wbm s LYS 164 N 1.11 4.18 0.18 4.30 -0.14 -1.26 -0.58 119.74 127.52 2wbm s LYS 164 Ca -0.06 1.00 0.07 0.00 -1.36 0.00 0.00 55.97 55.61 2wbm s LYS 164 Cb -0.06 -2.29 -0.04 0.00 -1.68 0.00 0.00 37.83 33.76 2wbm s LYS 164 CO -0.11 0.04 -0.15 0.14 -0.76 0.00 0.00 175.35 174.51 2wbm s VAL 165 N -2.09 1.64 -0.14 3.17 -7.23 0.07 -4.78 120.40 111.04 2wbm s VAL 165 Ca 0.59 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2wbm s VAL 165 Cb -0.10 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 2wbm s VAL 165 CO 0.15 -0.51 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.20 2wbm s ARG 166 N -3.27 3.48 -0.09 4.82 0.52 -1.26 -0.85 118.95 122.29 2wbm s ARG 166 Ca 0.18 -0.63 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 2wbm s ARG 166 Cb -0.02 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.71 2wbm s ARG 166 CO 0.06 0.21 -0.23 0.08 0.02 0.00 0.00 175.30 175.43 2wbm s VAL 167 N 0.40 2.12 -0.17 3.52 1.01 -0.11 -0.90 120.40 126.27 2wbm s VAL 167 Ca -0.08 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 2wbm s VAL 167 Cb -0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2wbm s VAL 167 CO 0.04 0.56 0.33 0.00 0.00 0.00 0.00 175.10 176.04 2wbm s ALA 168 N 0.25 3.57 0.16 5.51 0.00 0.29 -0.69 121.76 130.85 2wbm s ALA 168 Ca -0.16 -0.47 0.11 0.00 0.00 0.00 0.00 51.96 51.44 2wbm s ALA 168 Cb -0.17 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2wbm s ALA 168 CO 0.08 -0.05 -0.25 0.96 0.00 0.00 0.00 175.76 176.50 2wbm s ILE 169 N 0.76 2.33 -0.06 0.00 -4.36 0.65 -1.37 121.20 119.14 2wbm s ILE 169 Ca 0.18 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 2wbm s ILE 169 Cb -0.14 -2.08 0.02 0.00 1.25 0.00 0.00 42.46 41.52 2wbm s ILE 169 CO 0.06 -0.02 -0.04 -0.75 0.24 0.00 0.00 174.94 174.43 2wbm s LYS 170 N -2.39 0.91 0.09 0.37 2.20 0.14 -1.61 119.74 119.45 2wbm s LYS 170 Ca 0.18 -0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2wbm s LYS 170 Cb -0.09 -1.02 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 2wbm s LYS 170 CO 0.08 -0.18 -0.07 0.96 -0.36 0.00 0.00 175.35 175.79 2wbm s ILE 171 N 1.37 0.66 0.58 5.43 -4.36 -0.40 -1.70 121.20 122.78 2wbm s ILE 171 Ca -0.04 -1.81 -0.20 0.00 -0.26 0.00 0.00 60.65 58.34 2wbm s ILE 171 Cb -0.13 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 2wbm s ILE 171 CO -0.03 -0.81 1.31 -2.84 0.24 0.00 0.00 174.94 172.82 2wbm s PRO 172 N -3.52 2.95 0.42 0.37 0.02 -1.26 -0.87 135.00 133.12 2wbm s PRO 172 Ca 0.09 2.11 0.13 0.00 0.02 0.00 0.00 61.00 63.34 2wbm s PRO 172 Cb 0.03 -2.09 0.99 0.00 0.02 0.00 0.00 34.50 33.46 2wbm s PRO 172 CO -0.04 -1.30 1.97 0.78 -0.33 0.00 0.00 177.00 178.08 2wbm h GLY 173 N 1.11 0.64 1.94 0.52 0.00 -1.80 -1.67 103.07 103.80 2wbm h GLY 173 Ca -0.51 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 46.64 2wbm h GLY 173 CO 0.56 0.11 0.02 0.83 0.00 0.00 0.00 176.54 178.06 2wbm h GLU 174 N 0.45 0.00 -0.11 4.80 3.07 -1.90 -2.66 114.58 118.24 2wbm h GLU 174 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2wbm h GLU 174 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2wbm h GLU 174 CO -0.08 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.20 2wbm n MET 175 N -3.98 2.32 -0.04 2.33 2.81 -0.63 -4.59 117.12 115.34 2wbm n MET 175 Ca -0.02 -1.99 -0.12 0.00 -1.81 0.00 0.00 57.70 53.76 2wbm n MET 175 Cb 0.11 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.09 2wbm n MET 175 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wbm h ALA 176 N 4.59 0.18 -0.29 3.04 0.00 -1.51 0.20 119.26 125.47 2wbm h ALA 176 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2wbm h ALA 176 Cb 0.98 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2wbm h ALA 176 CO 0.00 -0.18 -0.14 0.78 0.00 0.00 0.00 179.25 179.71 2wbm h GLY 177 N 0.01 0.10 1.13 0.00 0.00 -1.81 -1.43 103.07 101.07 2wbm h GLY 177 Ca 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2wbm h GLY 177 CO 0.00 -0.16 0.35 1.76 0.00 0.00 0.00 176.54 178.49 2wbm h SER 178 N -0.09 1.02 -0.10 0.19 0.02 -1.80 -2.94 113.55 109.86 2wbm h SER 178 Ca 0.15 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 2wbm h SER 178 Cb 0.32 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2wbm h SER 178 CO -0.35 0.87 -0.17 0.00 -1.14 0.00 0.00 176.83 176.04 2wbm h ALA 179 N 1.28 1.20 -0.72 3.77 0.00 -0.19 -2.79 119.26 121.80 2wbm h ALA 179 Ca 0.26 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2wbm h ALA 179 Cb 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2wbm h ALA 179 CO -0.03 0.51 0.36 -0.92 0.00 0.00 0.00 179.25 179.17 2wbm h TYR 180 N 0.43 0.65 -0.54 0.00 3.20 -1.08 0.18 116.97 119.81 2wbm h TYR 180 Ca 0.07 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2wbm h TYR 180 Cb 0.55 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2wbm h TYR 180 CO 0.02 0.23 0.17 0.78 -1.64 0.00 0.00 178.16 177.72 2wbm h GLY 181 N 0.61 0.90 0.89 1.82 0.00 -1.55 -2.08 103.07 103.66 2wbm h GLY 181 Ca 0.36 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2wbm h GLY 181 CO -0.27 0.50 0.08 -2.08 0.00 0.00 0.00 176.54 174.76 2wbm h VAL 182 N 0.74 1.17 -0.89 4.60 2.07 -1.24 -3.02 116.25 119.69 2wbm h VAL 182 Ca 0.17 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.25 2wbm h VAL 182 Cb 0.28 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2wbm h VAL 182 CO -0.01 0.17 0.58 0.40 0.02 0.00 0.00 177.57 178.73 2wbm h ILE 183 N 0.18 1.03 -0.14 4.57 2.04 -0.55 -1.92 117.51 122.71 2wbm h ILE 183 Ca 0.07 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2wbm h ILE 183 Cb 0.19 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 2wbm h ILE 183 CO -0.00 0.17 0.10 0.77 0.00 0.00 0.00 178.15 179.19 2wbm h SER 184 N 0.96 0.00 1.14 1.72 4.64 -1.24 0.41 113.55 121.18 2wbm h SER 184 Ca 0.39 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 2wbm h SER 184 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2wbm h SER 184 CO -0.15 0.00 -0.27 0.78 -0.87 0.00 0.00 176.83 176.32 2wbm h ASN 185 N 0.00 0.00 0.00 4.97 2.35 -1.41 -3.38 115.58 118.11 2wbm h ASN 185 Ca 0.07 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.51 2wbm h ASN 185 Cb 0.27 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 2wbm h ASN 185 CO -0.00 0.27 -2.18 0.49 -1.65 0.00 0.00 177.43 174.36 2wbm n PHE 186 N -3.32 0.00 -2.36 1.19 3.72 0.12 -5.11 117.46 111.69 2wbm n PHE 186 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2wbm n PHE 186 Cb 0.51 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 2wbm n PHE 186 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wbm n GLY 187 N 2.51 1.76 3.28 1.37 0.00 0.25 -4.26 105.19 110.10 2wbm n GLY 187 Ca -0.37 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2wbm n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbm s LYS 188 N 1.21 2.65 -0.18 1.61 -0.14 -0.68 -4.30 119.74 119.91 2wbm s LYS 188 Ca 0.00 -0.88 -0.29 0.00 -1.36 0.00 0.00 55.97 53.43 2wbm s LYS 188 Cb 0.00 -2.21 -0.01 0.00 -1.68 0.00 0.00 37.83 33.93 2wbm s LYS 188 CO 0.00 0.36 1.18 0.42 -0.76 0.00 0.00 175.35 176.55 2wbm s ILE 189 N -0.10 4.42 -0.13 2.17 1.01 -1.26 -0.84 121.20 126.47 2wbm s ILE 189 Ca -0.05 1.72 0.17 0.00 0.00 0.00 0.00 60.65 62.49 2wbm s ILE 189 Cb -0.14 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 2wbm s ILE 189 CO 0.04 -0.15 0.40 0.35 0.00 0.00 0.00 174.94 175.58 2wbm n THR 190 N 5.33 1.24 -3.71 2.92 -2.24 -0.10 -4.97 114.28 112.74 2wbm n THR 190 Ca 0.13 -0.77 -0.14 0.00 -2.27 0.00 0.00 64.05 61.00 2wbm n THR 190 Cb 0.45 -0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 2wbm n THR 190 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wbm s ASN 191 N -5.56 -0.35 -0.14 3.42 0.01 -1.21 -5.00 114.94 106.11 2wbm s ASN 191 Ca -0.07 0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 52.34 2wbm s ASN 191 Cb 0.08 0.54 0.05 0.00 0.41 0.00 0.00 41.25 42.33 2wbm s ASN 191 CO 0.83 -0.36 0.49 -1.83 -1.51 0.00 0.00 177.10 174.72 2wbm s GLU 192 N -0.75 0.67 -0.13 -0.60 4.04 -1.26 -0.07 118.70 120.59 2wbm s GLU 192 Ca -0.08 0.47 -0.05 0.00 0.04 0.00 0.00 54.97 55.34 2wbm s GLU 192 Cb -0.04 0.32 0.06 0.00 0.02 0.00 0.00 34.13 34.49 2wbm s GLU 192 CO 0.04 -0.13 0.28 -1.21 -1.84 0.00 0.00 175.26 172.40 2wbm s GLU 193 N -0.24 0.19 0.22 -4.83 0.41 0.06 -5.00 118.70 109.51 2wbm s GLU 193 Ca -0.04 0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 54.95 2wbm s GLU 193 Cb -0.03 -0.02 -0.09 0.00 -1.78 0.00 0.00 34.13 32.20 2wbm s GLU 193 CO 0.03 -0.25 1.40 -1.58 -0.49 0.00 0.00 175.26 174.37 2wbm s TRP 194 N 2.15 3.11 0.27 1.61 0.52 -1.26 -1.63 118.94 123.72 2wbm s TRP 194 Ca -0.02 1.05 -0.05 0.00 0.02 0.00 0.00 56.10 57.10 2wbm s TRP 194 Cb -0.11 -3.75 -0.05 0.00 -1.15 0.00 0.00 33.47 28.40 2wbm s TRP 194 CO -0.09 -2.45 0.54 -0.65 0.02 0.00 0.00 176.95 174.32 2wbm s GLN 195 N -0.08 3.65 0.30 4.98 -1.52 0.49 -4.96 119.66 122.52 2wbm s GLN 195 Ca 0.60 0.03 0.23 0.00 -1.95 0.00 0.00 55.36 54.27 2wbm s GLN 195 Cb -0.40 -2.66 1.10 0.00 -0.22 0.00 0.00 33.01 30.83 2wbm s GLN 195 CO 0.40 0.24 1.71 0.09 -0.25 0.00 0.00 175.29 177.48 2wbm n ASN 196 N -0.79 0.66 -0.78 5.90 3.02 -1.26 -1.37 115.26 120.64 2wbm n ASN 196 Ca -0.01 0.72 0.09 0.00 -0.03 0.00 0.00 54.58 55.35 2wbm n ASN 196 Cb 0.54 -0.84 0.28 0.00 -0.61 0.00 0.00 39.78 39.15 2wbm n ASN 196 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2wbm n ASP 197 N -2.29 2.29 0.00 6.41 5.68 -1.26 -4.92 116.55 122.46 2wbm n ASP 197 Ca 0.01 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 2wbm n ASP 197 Cb 0.15 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 2wbm n ASP 197 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wbm n GLY 198 N 1.24 0.87 3.90 6.12 0.00 -0.47 -5.02 105.19 111.84 2wbm n GLY 198 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2wbm n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wbm s SER 199 N -2.69 3.87 -0.06 1.61 1.04 -1.26 -2.73 113.70 113.49 2wbm s SER 199 Ca 0.00 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.03 2wbm s SER 199 Cb 0.00 -0.89 0.02 0.00 0.10 0.00 0.00 66.02 65.24 2wbm s SER 199 CO 0.00 -2.29 -0.09 0.86 0.98 0.00 0.00 173.24 172.70 2wbm s TRP 200 N -3.69 1.15 -0.11 5.02 -0.00 -0.05 -0.38 118.94 120.89 2wbm s TRP 200 Ca 0.67 -0.40 -0.02 0.00 -0.00 0.00 0.00 56.10 56.36 2wbm s TRP 200 Cb -0.08 -0.89 -0.03 0.00 -0.00 0.00 0.00 33.47 32.46 2wbm s TRP 200 CO 0.51 -0.24 -0.03 0.42 -0.00 0.00 0.00 176.95 177.61 2wbm s ILE 201 N 0.76 3.99 0.00 5.86 1.01 -0.64 -1.27 121.20 130.90 2wbm s ILE 201 Ca -0.13 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2wbm s ILE 201 Cb -0.15 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 2wbm s ILE 201 CO 0.02 0.56 -0.11 0.00 0.00 0.00 0.00 174.94 175.42 2wbm s ALA 202 N -0.39 0.87 -0.23 9.38 0.00 -0.64 -0.76 121.76 130.00 2wbm s ALA 202 Ca 0.06 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.42 2wbm s ALA 202 Cb -0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 2wbm s ALA 202 CO 0.02 0.20 0.14 0.08 0.00 0.00 0.00 175.76 176.19 2wbm s VAL 203 N -0.39 5.16 -0.10 0.00 1.01 0.90 -0.26 120.40 126.73 2wbm s VAL 203 Ca 0.03 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2wbm s VAL 203 Cb -0.05 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2wbm s VAL 203 CO -0.00 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.58 2wbm s VAL 204 N 1.04 1.68 -0.24 2.92 1.01 0.13 -0.93 120.40 126.02 2wbm s VAL 204 Ca 0.07 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 2wbm s VAL 204 Cb -0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2wbm s VAL 204 CO 0.04 0.48 0.55 -0.70 0.00 0.00 0.00 175.10 175.47 2wbm s GLU 205 N 0.67 4.12 0.16 2.72 2.12 -0.02 -0.93 118.70 127.54 2wbm s GLU 205 Ca -0.13 0.42 0.08 0.00 0.36 0.00 0.00 54.97 55.70 2wbm s GLU 205 Cb -0.16 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 2wbm s GLU 205 CO 0.03 -0.30 -0.17 0.96 -0.54 0.00 0.00 175.26 175.24 2wbm s ILE 206 N 2.13 1.71 0.23 -3.70 -4.36 -0.03 -1.69 121.20 115.49 2wbm s ILE 206 Ca 0.24 -1.92 -0.32 0.00 -0.26 0.00 0.00 60.65 58.39 2wbm s ILE 206 Cb -0.16 -1.81 -0.13 0.00 1.25 0.00 0.00 42.46 41.61 2wbm s ILE 206 CO 0.09 -0.38 1.43 -2.65 0.24 0.00 0.00 174.94 173.68 2wbm n PRO 207 N 0.25 2.06 0.28 0.37 -0.02 -1.26 -0.75 135.00 135.93 2wbm n PRO 207 Ca -0.13 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 2wbm n PRO 207 Cb 0.57 -2.41 0.80 0.00 -0.02 0.00 0.00 33.50 32.44 2wbm n PRO 207 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wbm h GLY 208 N 4.45 0.00 1.66 -1.23 0.00 -0.92 -2.10 103.07 104.93 2wbm h GLY 208 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wbm h GLY 208 CO 0.77 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.92 2wbm n GLY 209 N -1.22 -1.13 1.17 4.60 0.00 0.29 -3.37 105.19 105.53 2wbm n GLY 209 Ca -0.03 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2wbm n GLY 209 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wbm n LEU 210 N -1.33 3.44 -0.20 0.99 4.77 -0.79 -4.63 117.00 119.25 2wbm n LEU 210 Ca 0.10 -1.63 -0.01 0.00 -0.03 0.00 0.00 56.01 54.45 2wbm n LEU 210 Cb 0.21 -0.36 0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2wbm n LEU 210 CO 0.19 0.81 0.98 1.56 -1.33 0.00 0.00 177.39 179.61 2wbm h GLN 211 N 4.02 0.39 -0.04 3.23 4.20 -1.74 0.62 115.11 125.79 2wbm h GLN 211 Ca 0.00 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.46 2wbm h GLN 211 Cb 0.90 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 28.61 2wbm h GLN 211 CO 0.00 0.26 -0.87 -0.44 -0.67 0.00 0.00 178.83 177.11 2wbm h ASP 212 N 0.40 0.84 -0.19 1.46 3.32 -1.90 -2.55 116.42 117.80 2wbm h ASP 212 Ca 0.29 -0.71 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 2wbm h ASP 212 Cb 0.35 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2wbm h ASP 212 CO -0.29 1.43 -0.13 0.77 -1.72 0.00 0.00 179.24 179.30 2wbm h SER 213 N 0.32 0.57 -0.06 6.45 4.64 -1.81 -0.95 113.55 122.71 2wbm h SER 213 Ca -0.10 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2wbm h SER 213 Cb 1.53 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2wbm h SER 213 CO 0.17 0.72 0.03 0.15 -0.87 0.00 0.00 176.83 177.04 2wbm h PHE 214 N 0.53 0.09 -0.42 4.77 3.57 -0.88 -0.77 116.94 123.83 2wbm h PHE 214 Ca 0.09 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2wbm h PHE 214 Cb 0.53 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2wbm h PHE 214 CO 0.02 0.19 0.26 -0.92 -2.23 0.00 0.00 178.31 175.63 2wbm h TYR 215 N -0.03 0.49 -0.51 0.41 3.20 -1.29 -1.87 116.97 117.37 2wbm h TYR 215 Ca 0.02 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2wbm h TYR 215 Cb 0.13 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2wbm h TYR 215 CO -0.03 0.30 0.33 0.37 -1.64 0.00 0.00 178.16 177.48 2wbm h GLN 216 N 0.53 0.64 -0.57 1.82 4.15 -0.92 0.47 115.11 121.23 2wbm h GLN 216 Ca 0.16 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.45 2wbm h GLN 216 Cb -0.02 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 2wbm h GLN 216 CO -0.06 0.42 -0.03 0.87 -1.93 0.00 0.00 178.83 178.10 2wbm h LYS 217 N 0.66 1.02 -0.40 1.69 1.79 -0.96 -1.00 116.57 119.37 2wbm h LYS 217 Ca 0.20 -0.34 -0.07 0.00 -2.18 0.00 0.00 60.65 58.26 2wbm h LYS 217 Cb -0.03 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 2wbm h LYS 217 CO -0.07 1.03 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.24 2wbm h LEU 218 N 0.91 0.71 -0.76 2.94 3.38 -1.12 -0.84 115.31 120.54 2wbm h LEU 218 Ca 0.16 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2wbm h LEU 218 Cb 0.58 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2wbm h LEU 218 CO 0.03 0.86 0.30 -1.28 0.09 0.00 0.00 178.44 178.45 2wbm h SER 219 N 0.55 1.04 -0.53 -0.43 0.87 -0.78 -1.33 113.55 112.94 2wbm h SER 219 Ca 0.11 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 2wbm h SER 219 Cb 0.51 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2wbm h SER 219 CO 0.03 0.93 0.07 -0.33 -0.53 0.00 0.00 176.83 177.00 2wbm h GLU 220 N 1.09 0.89 -0.21 2.24 5.08 -1.01 0.15 114.58 122.82 2wbm h GLU 220 Ca 0.25 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2wbm h GLU 220 Cb 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2wbm h GLU 220 CO -0.02 0.87 0.07 1.25 -1.00 0.00 0.00 179.01 180.18 2wbm h LEU 221 N 0.77 0.07 -1.65 1.33 5.85 -0.91 -3.09 115.31 117.68 2wbm h LEU 221 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2wbm h LEU 221 Cb 0.43 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2wbm h LEU 221 CO 0.01 0.07 0.00 0.35 -0.34 0.00 0.00 178.44 178.53 2wbm n THR 222 N -5.05 0.34 -3.62 1.05 -2.24 -0.52 -4.92 114.28 99.32 2wbm n THR 222 Ca -0.02 -0.53 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 2wbm n THR 222 Cb 0.08 0.65 0.03 0.00 -2.10 0.00 0.00 70.33 68.99 2wbm n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbm n GLY 223 N 1.30 -0.51 1.24 3.38 0.00 -0.30 -1.50 105.19 108.79 2wbm n GLY 223 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2wbm n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbm n GLY 224 N -1.65 1.00 2.67 -0.02 0.00 0.38 -4.97 105.19 102.60 2wbm n GLY 224 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wbm n GLY 224 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wbm n ASN 225 N 0.00 6.18 -3.77 1.61 3.02 -0.56 -4.87 115.26 116.87 2wbm n ASN 225 Ca 0.00 -3.02 -0.13 0.00 -0.03 0.00 0.00 54.58 51.40 2wbm n ASN 225 Cb 0.00 -1.48 -0.09 0.00 -0.61 0.00 0.00 39.78 37.60 2wbm n ASN 225 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wbm s VAL 226 N 0.56 0.05 -0.06 2.41 0.11 -1.26 -4.17 120.40 118.05 2wbm s VAL 226 Ca 0.48 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 2wbm s VAL 226 Cb 0.14 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2wbm s VAL 226 CO -0.04 -0.22 -0.13 -0.70 -3.33 0.00 0.00 175.10 170.68 2wbm s GLU 227 N -1.01 1.67 0.08 1.54 2.12 -0.69 -4.99 118.70 117.42 2wbm s GLU 227 Ca -0.11 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.80 2wbm s GLU 227 Cb -0.05 -1.40 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 2wbm s GLU 227 CO 0.03 0.09 -0.11 0.95 -0.54 0.00 0.00 175.26 175.68 2wbm s THR 228 N 0.46 0.88 0.01 -1.70 -4.23 -1.26 -0.68 115.64 109.12 2wbm s THR 228 Ca -0.11 -1.41 -0.23 0.00 -1.18 0.00 0.00 61.69 58.77 2wbm s THR 228 Cb -0.14 -1.09 0.05 0.00 1.34 0.00 0.00 72.50 72.66 2wbm s THR 228 CO 0.03 -0.42 0.51 0.00 -0.54 0.00 0.00 174.62 174.19 2wbm s ARG 229 N -2.20 0.95 0.23 3.99 1.70 -0.47 -4.99 118.95 118.15 2wbm s ARG 229 Ca -0.01 -0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.86 2wbm s ARG 229 Cb -0.07 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 2wbm s ARG 229 CO 0.01 -0.31 1.02 -0.51 -1.08 0.00 0.00 175.30 174.43 2wbm s LEU 230 N -1.61 4.57 -0.04 -1.89 1.43 -1.26 -0.55 118.68 119.33 2wbm s LEU 230 Ca -0.09 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 2wbm s LEU 230 Cb -0.01 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2wbm s LEU 230 CO 0.03 -0.03 1.39 -0.63 0.23 0.00 0.00 176.35 177.34 2wbm s ILE 231 N -0.86 3.85 0.00 -0.59 1.01 -0.08 -4.87 121.20 119.65 2wbm s ILE 231 Ca 0.44 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.27 2wbm s ILE 231 Cb -0.28 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2wbm s ILE 231 CO 0.35 -0.03 0.00 0.29 0.00 0.00 0.00 174.94 175.55