#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbm s VAL 2 N 0.00 1.18 0.56 1.12 1.01 -1.26 -5.12 120.40 117.89 2wbm s VAL 2 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 2wbm s VAL 2 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 2wbm s VAL 2 CO 0.00 0.37 1.04 -0.44 0.00 0.00 0.00 175.10 176.07 2wbm s SER 3 N 0.91 6.04 -0.05 3.32 0.01 -1.26 -4.84 113.70 117.83 2wbm s SER 3 Ca -0.10 1.78 -0.16 0.00 1.31 0.00 0.00 55.95 58.78 2wbm s SER 3 Cb -0.15 -2.53 -0.31 0.00 0.21 0.00 0.00 66.02 63.24 2wbm s SER 3 CO 0.01 -0.99 0.75 -0.07 0.41 0.00 0.00 173.24 173.35 2wbm h LEU 4 N 0.69 0.56 -1.13 2.44 4.07 -1.97 -2.66 115.31 117.31 2wbm h LEU 4 Ca -0.47 -0.91 -0.06 0.00 0.08 0.00 0.00 57.88 56.52 2wbm h LEU 4 Cb 1.21 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 2wbm h LEU 4 CO 0.58 1.63 -0.29 1.05 -1.08 0.00 0.00 178.44 180.34 2wbm h GLU 5 N -0.13 0.00 -0.65 1.13 4.11 -2.03 -2.23 114.58 114.79 2wbm h GLU 5 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2wbm h GLU 5 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2wbm h GLU 5 CO 0.15 0.29 0.00 -0.40 0.07 0.00 0.00 179.01 179.12 2wbm n ASP 6 N -3.52 4.48 -4.90 3.06 5.68 -1.25 -4.90 116.55 115.20 2wbm n ASP 6 Ca -0.00 -2.44 -0.28 0.00 -0.50 0.00 0.00 54.79 51.57 2wbm n ASP 6 Cb 0.44 -0.56 -0.01 0.00 -1.14 0.00 0.00 41.12 39.85 2wbm n ASP 6 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wbm s ALA 7 N -1.88 3.41 0.35 2.12 0.00 -0.84 -4.72 121.76 120.20 2wbm s ALA 7 Ca 0.47 -0.45 0.09 0.00 0.00 0.00 0.00 51.96 52.07 2wbm s ALA 7 Cb 0.31 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.77 2wbm s ALA 7 CO 0.22 -0.25 -0.07 0.14 0.00 0.00 0.00 175.76 175.80 2wbm s VAL 8 N -2.63 2.26 -0.13 0.00 -7.23 0.94 -4.88 120.40 108.73 2wbm s VAL 8 Ca 0.48 -2.16 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 2wbm s VAL 8 Cb -0.10 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2wbm s VAL 8 CO 0.41 -0.18 0.48 -0.63 -0.31 0.00 0.00 175.10 174.87 2wbm s ILE 9 N -2.61 5.18 -0.19 -0.62 1.01 -1.18 -0.47 121.20 122.33 2wbm s ILE 9 Ca 0.33 0.94 -0.06 0.00 0.00 0.00 0.00 60.65 61.86 2wbm s ILE 9 Cb 0.03 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2wbm s ILE 9 CO 0.17 0.31 0.04 0.00 0.00 0.00 0.00 174.94 175.46 2wbm s ALA 10 N 0.75 3.22 -0.04 9.38 0.00 -0.06 0.08 121.76 135.09 2wbm s ALA 10 Ca 0.25 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.40 2wbm s ALA 10 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2wbm s ALA 10 CO 0.10 -0.00 -0.22 0.50 0.00 0.00 0.00 175.76 176.13 2wbm s ARG 11 N 0.72 2.08 -0.03 0.00 3.52 0.92 -1.23 118.95 124.93 2wbm s ARG 11 Ca 0.02 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2wbm s ARG 11 Cb -0.14 -1.87 0.01 0.00 -1.56 0.00 0.00 34.95 31.39 2wbm s ARG 11 CO 0.02 0.40 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.65 2wbm s LEU 12 N -0.29 1.71 -0.05 -0.88 2.96 0.25 -0.01 118.68 122.37 2wbm s LEU 12 Ca 0.02 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2wbm s LEU 12 Cb -0.11 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 2wbm s LEU 12 CO 0.01 0.05 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.37 2wbm s GLU 13 N 0.35 2.58 -0.26 1.98 2.02 -1.26 -0.33 118.70 123.78 2wbm s GLU 13 Ca -0.06 -0.65 -0.23 0.00 0.02 0.00 0.00 54.97 54.04 2wbm s GLU 13 Cb -0.11 -2.46 0.07 0.00 0.10 0.00 0.00 34.13 31.73 2wbm s GLU 13 CO 0.01 0.63 0.68 0.45 0.02 0.00 0.00 175.26 177.06 2wbm s SER 14 N -0.85 -0.73 -1.59 -0.19 0.15 -0.32 -4.97 113.70 105.20 2wbm s SER 14 Ca 0.12 1.39 -0.15 0.00 0.70 0.00 0.00 55.95 58.01 2wbm s SER 14 Cb -0.11 1.39 0.11 0.00 -1.71 0.00 0.00 66.02 65.71 2wbm s SER 14 CO 0.02 -0.24 0.92 1.41 1.20 0.00 0.00 173.24 176.54 2wbm n HIS 15 N 2.86 -2.11 -1.05 3.44 8.25 -1.26 -0.68 115.22 124.67 2wbm n HIS 15 Ca -0.15 0.87 -0.02 0.00 -0.26 0.00 0.00 57.72 58.17 2wbm n HIS 15 Cb 0.56 -3.63 -0.01 0.00 1.12 0.00 0.00 29.99 28.03 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 -1.59 0.45 3.48 -1.41 0.00 -1.26 -5.01 105.19 99.85 2wbm n GLY 16 Ca 0.05 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.16 2.74 -0.12 1.61 0.41 0.14 -5.12 118.70 117.21 2wbm s GLU 17 Ca 0.00 -0.65 -0.03 0.00 -0.41 0.00 0.00 54.97 53.88 2wbm s GLU 17 Cb 0.00 -2.49 -0.03 0.00 -1.78 0.00 0.00 34.13 29.83 2wbm s GLU 17 CO 0.00 0.55 -0.01 0.50 -0.49 0.00 0.00 175.26 175.81 2wbm s ARG 18 N -0.54 3.34 -0.09 1.61 3.52 -1.26 -1.17 118.95 124.36 2wbm s ARG 18 Ca 0.07 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 2wbm s ARG 18 Cb -0.12 -2.88 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 2wbm s ARG 18 CO 0.02 0.48 -0.14 -0.06 -0.81 0.00 0.00 175.30 174.79 2wbm s PHE 19 N -0.28 1.78 -0.02 5.12 0.08 0.55 -4.28 117.98 120.92 2wbm s PHE 19 Ca 0.06 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.39 2wbm s PHE 19 Cb -0.12 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 41.04 2wbm s PHE 19 CO 0.02 -0.38 -0.12 -1.21 -0.10 0.00 0.00 175.22 173.43 2wbm s GLU 20 N 0.80 1.17 0.13 0.44 2.02 0.16 -0.58 118.70 122.85 2wbm s GLU 20 Ca -0.11 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 54.53 2wbm s GLU 20 Cb -0.16 -1.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.95 2wbm s GLU 20 CO 0.02 0.20 -0.19 0.14 0.02 0.00 0.00 175.26 175.45 2wbm s VAL 21 N -0.02 1.71 -0.23 2.63 -7.23 -0.37 0.27 120.40 117.16 2wbm s VAL 21 Ca -0.00 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 2wbm s VAL 21 Cb -0.08 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 2wbm s VAL 21 CO 0.00 -0.22 0.24 -0.76 -0.31 0.00 0.00 175.10 174.06 2wbm s LEU 22 N -2.31 4.11 0.04 1.32 1.43 -1.26 -0.88 118.68 121.13 2wbm s LEU 22 Ca 0.11 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2wbm s LEU 22 Cb -0.08 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2wbm s LEU 22 CO 0.05 -0.00 -0.03 0.68 0.23 0.00 0.00 176.35 177.28 2wbm s VAL 23 N 1.25 0.21 0.01 -1.59 -7.23 0.38 -0.73 120.40 112.71 2wbm s VAL 23 Ca 0.11 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 2wbm s VAL 23 Cb -0.14 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.74 2wbm s VAL 23 CO 0.06 -0.77 1.52 -0.62 -0.31 0.00 0.00 175.10 174.98 2wbm s ASP 24 N -2.29 6.74 0.25 4.85 -1.08 0.35 -0.04 116.67 125.45 2wbm s ASP 24 Ca -0.03 2.25 -0.06 0.00 -0.52 0.00 0.00 52.55 54.19 2wbm s ASP 24 Cb -0.00 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 39.16 2wbm s ASP 24 CO -0.06 -0.81 1.93 1.55 0.52 0.00 0.00 175.17 178.30 2wbm h PRO 25 N 8.22 1.31 0.23 4.34 0.13 -1.90 0.26 132.00 144.59 2wbm h PRO 25 Ca -0.39 -0.08 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 2wbm h PRO 25 Cb 1.18 -0.30 0.03 0.00 0.13 0.00 0.00 31.00 32.05 2wbm h PRO 25 CO 0.92 0.87 -1.43 -0.44 -0.23 0.00 0.00 178.00 177.69 2wbm h ASP 26 N 1.35 0.79 -0.65 1.44 3.32 -1.93 -2.33 116.42 118.41 2wbm h ASP 26 Ca 0.37 -0.84 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 2wbm h ASP 26 Cb -0.15 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.11 2wbm h ASP 26 CO -0.08 1.65 0.15 -0.07 -1.72 0.00 0.00 179.24 179.17 2wbm h LEU 27 N 0.15 1.00 -0.54 1.55 4.07 -1.93 0.11 115.31 119.73 2wbm h LEU 27 Ca -0.23 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 57.50 2wbm h LEU 27 Cb 2.12 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 43.57 2wbm h LEU 27 CO 0.26 0.98 0.35 0.00 -1.08 0.00 0.00 178.44 178.95 2wbm h ALA 28 N 1.06 0.69 -0.53 1.53 0.00 -0.98 0.28 119.26 121.30 2wbm h ALA 28 Ca 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2wbm h ALA 28 Cb 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2wbm h ALA 28 CO 0.00 0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.55 2wbm h ALA 29 N 1.21 1.36 -0.12 0.00 0.00 -1.21 -2.98 119.26 117.52 2wbm h ALA 29 Ca 0.21 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2wbm h ALA 29 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2wbm h ALA 29 CO -0.06 0.48 -0.62 1.49 0.00 0.00 0.00 179.25 180.54 2wbm h GLU 30 N 0.76 0.42 -0.72 0.00 4.81 0.03 -3.15 114.58 116.73 2wbm h GLU 30 Ca 0.18 -0.29 0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2wbm h GLU 30 Cb 0.16 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2wbm h GLU 30 CO -0.02 0.91 0.48 0.35 -0.73 0.00 0.00 179.01 180.00 2wbm h PHE 31 N 0.31 0.69 0.00 0.92 3.57 -0.32 -3.47 116.94 118.63 2wbm h PHE 31 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2wbm h PHE 31 Cb 1.16 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2wbm h PHE 31 CO 0.04 0.33 0.00 0.54 -2.23 0.00 0.00 178.31 176.99 2wbm n ARG 32 N -4.49 0.95 -0.30 1.11 1.74 -1.20 -5.05 116.66 109.42 2wbm n ARG 32 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2wbm n ARG 32 Cb 0.31 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 2wbm n ARG 32 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2wbm n VAL 38 N 0.41 -1.06 -2.09 1.55 3.14 -1.26 -5.15 118.33 113.87 2wbm n VAL 38 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 2wbm n VAL 38 Cb 0.42 -1.13 0.01 0.00 -1.06 0.00 0.00 33.84 32.07 2wbm n VAL 38 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2wbm s SER 39 N 0.00 5.77 0.38 6.55 1.04 -1.26 -4.96 113.70 121.22 2wbm s SER 39 Ca 0.00 1.88 0.10 0.00 0.48 0.00 0.00 55.95 58.42 2wbm s SER 39 Cb 0.00 -2.54 0.75 0.00 0.10 0.00 0.00 66.02 64.33 2wbm s SER 39 CO 0.00 -1.18 1.88 1.62 0.98 0.00 0.00 173.24 176.54 2wbm h VAL 40 N 0.60 1.21 -0.61 5.02 3.04 -2.00 -2.75 116.25 120.75 2wbm h VAL 40 Ca -0.47 -0.96 -0.06 0.00 -1.01 0.00 0.00 66.70 64.19 2wbm h VAL 40 Cb 1.23 1.39 -0.03 0.00 -2.01 0.00 0.00 31.29 31.87 2wbm h VAL 40 CO 0.57 0.29 0.14 -0.33 -1.01 0.00 0.00 177.57 177.23 2wbm h GLU 41 N 0.15 0.96 -0.20 4.17 3.07 -1.92 -2.79 114.58 118.01 2wbm h GLU 41 Ca 0.03 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.53 2wbm h GLU 41 Cb 0.48 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2wbm h GLU 41 CO 0.03 0.86 -0.47 -0.44 -1.40 0.00 0.00 179.01 177.59 2wbm h ASP 42 N 0.92 0.58 -0.70 1.42 3.32 -1.88 -3.18 116.42 116.89 2wbm h ASP 42 Ca 0.19 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 2wbm h ASP 42 Cb 0.34 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2wbm h ASP 42 CO 0.00 0.96 0.19 0.58 -1.72 0.00 0.00 179.24 179.25 2wbm h VAL 43 N 0.43 1.26 -3.45 -1.35 2.07 -1.35 -3.45 116.25 110.42 2wbm h VAL 43 Ca 0.02 -0.95 -0.53 0.00 0.82 0.00 0.00 66.70 66.07 2wbm h VAL 43 Cb 0.99 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2wbm h VAL 43 CO 0.09 0.37 0.42 -0.76 0.02 0.00 0.00 177.57 177.70 2wbm s LEU 44 N -9.57 4.43 0.02 2.57 1.43 -1.07 -0.50 118.68 116.00 2wbm s LEU 44 Ca -0.12 1.83 -0.19 0.00 -1.03 0.00 0.00 54.13 54.62 2wbm s LEU 44 Cb 0.15 -3.58 -0.22 0.00 0.03 0.00 0.00 46.19 42.56 2wbm s LEU 44 CO 0.84 -0.23 1.13 0.00 0.23 0.00 0.00 176.35 178.33 2wbm h ALA 45 N 6.15 0.11 -3.42 4.21 0.00 -1.23 -3.45 119.26 121.63 2wbm h ALA 45 Ca -0.42 -0.57 -0.30 0.00 0.00 0.00 0.00 54.91 53.62 2wbm h ALA 45 Cb 1.21 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 2wbm h ALA 45 CO 0.75 0.39 -0.74 0.14 0.00 0.00 0.00 179.25 179.79 2wbm s VAL 46 N -3.31 0.54 -1.27 0.00 -7.23 -1.25 -4.73 120.40 103.15 2wbm s VAL 46 Ca -0.13 -0.83 -0.09 0.00 -1.81 0.00 0.00 61.98 59.12 2wbm s VAL 46 Cb 0.04 -0.56 0.17 0.00 0.56 0.00 0.00 36.38 36.59 2wbm s VAL 46 CO 0.83 -0.21 1.83 0.00 -0.31 0.00 0.00 175.10 177.24 2wbm n GLN 47 N 1.92 3.63 -3.74 4.82 6.02 -1.26 -4.68 117.38 124.09 2wbm n GLN 47 Ca -0.20 -3.59 -0.13 0.00 -0.01 0.00 0.00 57.00 53.08 2wbm n GLN 47 Cb 0.56 -2.92 -0.10 0.00 1.02 0.00 0.00 30.24 28.80 2wbm n GLN 47 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2wbm s GLU 48 N 0.36 0.47 -0.21 -1.09 2.12 -1.26 -4.84 118.70 114.24 2wbm s GLU 48 Ca 0.39 0.54 -0.07 0.00 0.36 0.00 0.00 54.97 56.19 2wbm s GLU 48 Cb 0.09 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2wbm s GLU 48 CO 0.01 -0.06 0.06 0.08 -0.54 0.00 0.00 175.26 174.81 2wbm s VAL 49 N 0.18 4.54 0.22 3.70 1.01 -1.26 -4.63 120.40 124.16 2wbm s VAL 49 Ca -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.93 2wbm s VAL 49 Cb -0.03 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2wbm s VAL 49 CO 0.01 0.40 0.19 -0.36 0.00 0.00 0.00 175.10 175.33 2wbm s PHE 50 N 0.97 3.14 -0.04 5.22 0.08 0.14 -1.33 117.98 126.17 2wbm s PHE 50 Ca 0.04 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.99 2wbm s PHE 50 Cb -0.14 -1.45 -0.27 0.00 -0.57 0.00 0.00 43.02 40.59 2wbm s PHE 50 CO 0.03 0.52 0.70 -0.09 -0.10 0.00 0.00 175.22 176.27 2wbm h ARG 51 N 1.77 0.23 -2.63 0.44 2.43 -0.19 0.47 114.38 116.91 2wbm h ARG 51 Ca -0.48 -0.39 -0.51 0.00 -0.81 0.00 0.00 59.98 57.79 2wbm h ARG 51 Cb 1.23 0.14 -0.39 0.00 -0.42 0.00 0.00 29.97 30.54 2wbm h ARG 51 CO 0.62 1.06 -0.77 0.34 -1.51 0.00 0.00 179.97 179.71 2wbm s ASP 52 N -6.89 3.08 0.10 -3.80 3.68 -1.07 -4.61 116.67 107.17 2wbm s ASP 52 Ca -0.12 -1.40 -0.25 0.00 2.13 0.00 0.00 52.55 52.90 2wbm s ASP 52 Cb 0.07 -0.21 -0.11 0.00 -1.45 0.00 0.00 42.92 41.22 2wbm s ASP 52 CO 0.83 -0.40 1.69 0.00 0.13 0.00 0.00 175.17 177.42 2wbm h ALA 53 N 8.06 -0.24 -0.86 3.66 0.00 -1.85 -0.62 119.26 127.41 2wbm h ALA 53 Ca -0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wbm h ALA 53 Cb 1.01 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2wbm h ALA 53 CO 0.38 -0.66 0.52 0.00 0.00 0.00 0.00 179.25 179.49 2wbm h ARG 54 N -0.28 1.17 0.00 0.00 2.47 -1.96 -0.75 114.38 115.03 2wbm h ARG 54 Ca 0.01 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2wbm h ARG 54 Cb 0.28 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2wbm h ARG 54 CO -0.06 0.83 0.00 1.63 0.56 0.00 0.00 179.97 182.93 2wbm n LYS 55 N -4.42 0.15 -2.63 0.04 5.02 -1.10 -4.91 118.16 110.31 2wbm n LYS 55 Ca 0.09 0.31 -0.07 0.00 -2.02 0.00 0.00 58.31 56.62 2wbm n LYS 55 Cb 0.06 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 33.33 2wbm n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wbm n GLY 56 N 0.39 0.37 3.49 0.72 0.00 -0.29 -5.03 105.19 104.84 2wbm n GLY 56 Ca 0.03 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2wbm n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbm s ASP 57 N -2.98 6.07 0.25 1.61 1.01 -0.37 -5.02 116.67 117.23 2wbm s ASP 57 Ca 0.13 -0.69 -0.30 0.00 0.71 0.00 0.00 52.55 52.41 2wbm s ASP 57 Cb -0.06 -2.14 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 2wbm s ASP 57 CO 0.16 -0.35 1.30 -0.75 0.21 0.00 0.00 175.17 175.75 2wbm s LYS 58 N 1.69 4.39 0.32 8.23 2.20 -1.26 0.45 119.74 135.76 2wbm s LYS 58 Ca 0.05 2.11 -0.29 0.00 -0.36 0.00 0.00 55.97 57.48 2wbm s LYS 58 Cb -0.18 -3.15 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 2wbm s LYS 58 CO 0.10 -0.21 1.27 0.00 -0.36 0.00 0.00 175.35 176.15 2wbm s ALA 59 N -0.39 3.48 0.52 3.13 0.00 -0.45 -4.28 121.76 123.78 2wbm s ALA 59 Ca 0.53 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 53.50 2wbm s ALA 59 Cb -0.38 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.22 2wbm s ALA 59 CO 0.43 -0.55 1.06 -1.54 0.00 0.00 0.00 175.76 175.15 2wbm s SER 60 N -0.51 6.11 0.27 0.00 1.04 -1.26 -4.91 113.70 114.45 2wbm s SER 60 Ca 0.49 1.93 -0.02 0.00 0.48 0.00 0.00 55.95 58.83 2wbm s SER 60 Cb -0.38 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.56 2wbm s SER 60 CO 0.50 -0.94 1.84 -0.33 0.98 0.00 0.00 173.24 175.29 2wbm h GLU 61 N 1.22 0.92 -0.49 4.02 3.07 -1.98 -2.62 114.58 118.72 2wbm h GLU 61 Ca -0.49 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.11 2wbm h GLU 61 Cb 1.23 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 2wbm h GLU 61 CO 0.58 0.77 -0.08 0.93 -1.40 0.00 0.00 179.01 179.81 2wbm h GLU 62 N 0.90 0.87 -0.53 2.33 3.07 -1.98 0.19 114.58 119.43 2wbm h GLU 62 Ca 0.21 -0.29 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 2wbm h GLU 62 Cb 0.22 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2wbm h GLU 62 CO -0.01 0.92 0.08 0.00 -1.40 0.00 0.00 179.01 178.60 2wbm h ALA 63 N 1.11 0.70 -0.36 3.43 0.00 -1.90 -1.99 119.26 120.25 2wbm h ALA 63 Ca 0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2wbm h ALA 63 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wbm h ALA 63 CO 0.04 0.45 -0.26 0.52 0.00 0.00 0.00 179.25 179.99 2wbm h MET 64 N 0.76 0.81 -0.42 0.00 2.86 -1.20 -2.68 114.93 115.06 2wbm h MET 64 Ca 0.16 -0.39 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 2wbm h MET 64 Cb 0.42 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2wbm h MET 64 CO 0.01 1.02 -0.08 -0.09 1.06 0.00 0.00 176.91 178.83 2wbm h ARG 65 N 0.59 0.72 0.00 1.72 9.65 -0.96 0.28 114.38 126.39 2wbm h ARG 65 Ca 0.07 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 2wbm h ARG 65 Cb 0.83 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 2wbm h ARG 65 CO 0.07 0.79 0.00 -0.22 2.80 0.00 0.00 179.97 183.41 2wbm h LYS 66 N 0.66 0.00 0.00 0.20 1.63 -1.32 -1.86 116.57 115.89 2wbm h LYS 66 Ca 0.12 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 59.53 2wbm h LYS 66 Cb 0.53 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 2wbm h LYS 66 CO 0.03 0.00 -2.37 0.28 -3.45 0.00 0.00 179.45 173.94 2wbm n VAL 67 N -2.97 1.36 0.69 2.00 0.31 -1.02 -4.74 118.33 113.97 2wbm n VAL 67 Ca 0.04 -0.43 0.07 0.00 -0.01 0.00 0.00 64.34 64.00 2wbm n VAL 67 Cb 0.48 -1.58 -0.08 0.00 -0.91 0.00 0.00 33.84 31.75 2wbm n VAL 67 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wbm n PHE 68 N -3.65 0.00 -1.19 3.52 3.01 0.98 -4.97 117.46 115.15 2wbm n PHE 68 Ca -0.46 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 57.94 2wbm n PHE 68 Cb 0.90 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.34 2wbm n PHE 68 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2wbm n GLU 69 N -1.23 -1.23 -3.59 -1.08 -0.58 -0.70 -4.95 120.64 107.28 2wbm n GLU 69 Ca 0.03 0.64 -0.14 0.00 -0.42 0.00 0.00 57.16 57.27 2wbm n GLU 69 Cb 0.24 -4.72 -0.07 0.00 -0.57 0.00 0.00 31.44 26.32 2wbm n GLU 69 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2wbm s THR 70 N -1.85 0.00 -2.10 2.62 -1.32 -1.25 -4.95 115.64 106.79 2wbm s THR 70 Ca 0.00 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.67 2wbm s THR 70 Cb 0.00 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.32 2wbm s THR 70 CO 0.00 0.00 1.27 0.00 -2.21 0.00 0.00 174.62 173.68 2wbm n ALA 71 N 1.98 2.40 -2.34 11.08 0.00 -1.26 -4.11 120.51 128.25 2wbm n ALA 71 Ca -0.15 -0.92 -0.43 0.00 0.00 0.00 0.00 53.44 51.94 2wbm n ALA 71 Cb 0.56 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.36 6.91 0.41 0.00 -1.08 -1.26 -4.93 116.67 115.36 2wbm s ASP 72 Ca 0.31 1.86 0.07 0.00 -0.52 0.00 0.00 52.55 54.27 2wbm s ASP 72 Cb 0.19 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.95 2wbm s ASP 72 CO 0.26 -0.75 2.05 -0.65 0.52 0.00 0.00 175.17 176.61 2wbm h PRO 73 N 8.20 0.54 0.00 4.34 0.11 -1.93 0.20 132.00 143.46 2wbm h PRO 73 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2wbm h PRO 73 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wbm h PRO 73 CO 0.94 0.37 0.00 -0.07 -0.21 0.00 0.00 178.00 179.03 2wbm h LEU 74 N 0.56 0.00 0.12 2.35 3.38 -1.93 -2.65 115.31 117.14 2wbm h LEU 74 Ca 0.15 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.75 2wbm h LEU 74 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2wbm h LEU 74 CO -0.03 0.00 -2.01 1.21 0.09 0.00 0.00 178.44 177.70 2wbm n GLU 75 N -3.05 0.75 -0.05 1.13 4.07 -0.48 -4.49 120.64 118.51 2wbm n GLU 75 Ca 0.01 0.26 -0.14 0.00 -0.06 0.00 0.00 57.16 57.24 2wbm n GLU 75 Cb 0.34 -1.70 -0.07 0.00 -0.06 0.00 0.00 31.44 29.95 2wbm n GLU 75 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2wbm h VAL 76 N 0.06 1.36 -0.46 6.31 2.07 -0.99 -3.35 116.25 121.24 2wbm h VAL 76 Ca -0.43 -1.45 0.09 0.00 0.82 0.00 0.00 66.70 65.73 2wbm h VAL 76 Cb 2.02 1.94 -0.08 0.00 -1.52 0.00 0.00 31.29 33.65 2wbm h VAL 76 CO 0.08 0.43 -0.06 0.74 0.02 0.00 0.00 177.57 178.78 2wbm h THR 77 N 0.03 0.59 -0.87 2.57 2.02 -1.70 -2.04 112.91 113.51 2wbm h THR 77 Ca 0.01 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.31 2wbm h THR 77 Cb 0.79 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 67.64 2wbm h THR 77 CO 0.05 0.01 0.48 -0.65 0.37 0.00 0.00 175.52 175.78 2wbm h PRO 78 N 0.05 0.68 -0.51 6.66 0.11 -1.79 0.04 132.00 137.24 2wbm h PRO 78 Ca 0.23 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2wbm h PRO 78 Cb 0.34 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2wbm h PRO 78 CO -0.43 0.45 0.26 0.28 -0.21 0.00 0.00 178.00 178.36 2wbm h VAL 79 N 0.70 1.18 -0.37 3.15 2.07 -1.56 -0.73 116.25 120.69 2wbm h VAL 79 Ca 0.46 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2wbm h VAL 79 Cb 0.60 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2wbm h VAL 79 CO -0.33 0.20 0.17 0.40 0.02 0.00 0.00 177.57 178.03 2wbm h ILE 80 N 0.68 0.95 -0.31 4.57 2.04 -0.72 0.14 117.51 124.87 2wbm h ILE 80 Ca 0.18 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 2wbm h ILE 80 Cb 0.08 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2wbm h ILE 80 CO -0.03 0.06 -0.33 -0.07 0.00 0.00 0.00 178.15 177.79 2wbm h LEU 81 N 0.35 0.69 0.15 1.44 3.38 -0.84 0.28 115.31 120.77 2wbm h LEU 81 Ca 0.16 -0.28 -0.30 0.00 0.09 0.00 0.00 57.88 57.55 2wbm h LEU 81 Cb 0.09 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.67 2wbm h LEU 81 CO -0.13 0.97 -1.31 0.03 0.09 0.00 0.00 178.44 178.09 2wbm h ARG 82 N 0.56 0.43 0.00 1.13 3.08 -0.99 -3.39 114.38 115.19 2wbm h ARG 82 Ca 0.06 -0.68 -0.01 0.00 0.07 0.00 0.00 59.98 59.42 2wbm h ARG 82 Cb 0.84 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2wbm h ARG 82 CO 0.07 1.32 -1.71 0.54 -1.07 0.00 0.00 179.97 179.12 2wbm n ARG 83 N -3.65 0.51 0.00 0.04 1.74 0.47 -5.03 116.66 110.74 2wbm n ARG 83 Ca -0.12 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 2wbm n ARG 83 Cb 1.04 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 2wbm n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wbm n GLY 84 N 1.65 1.96 3.51 -0.13 0.00 0.97 -4.99 105.19 108.15 2wbm n GLY 84 Ca -0.04 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 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 2.24 1.82 -0.15 2.61 -4.23 0.98 -4.90 115.64 114.01 2wbm s THR 85 Ca 0.00 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.37 2wbm s THR 85 Cb 0.00 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 2wbm s THR 85 CO 0.00 -0.15 0.00 -0.63 -0.54 0.00 0.00 174.62 173.30 2wbm s ILE 86 N -2.87 4.28 -0.29 2.99 -1.09 -1.26 -0.05 121.20 122.90 2wbm s ILE 86 Ca 0.33 -0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 2wbm s ILE 86 Cb 0.06 -2.88 0.04 0.00 -1.58 0.00 0.00 42.46 38.09 2wbm s ILE 86 CO 0.15 0.50 0.01 -1.10 -1.23 0.00 0.00 174.94 173.27 2wbm s GLN 87 N 0.15 2.60 0.01 2.79 -1.52 0.11 -4.98 119.66 118.82 2wbm s GLN 87 Ca 0.01 -1.16 -0.00 0.00 -1.95 0.00 0.00 55.36 52.26 2wbm s GLN 87 Cb -0.13 -3.19 -0.04 0.00 -0.22 0.00 0.00 33.01 29.43 2wbm s GLN 87 CO 0.02 -0.56 0.10 -0.51 -0.25 0.00 0.00 175.29 174.08 2wbm s LEU 88 N 1.31 3.97 0.72 2.90 1.43 -1.26 -3.09 118.68 124.65 2wbm s LEU 88 Ca -0.03 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2wbm s LEU 88 Cb -0.19 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2wbm s LEU 88 CO -0.01 0.25 1.07 0.42 0.23 0.00 0.00 176.35 178.32 2wbm s THR 89 N -1.25 3.72 0.28 5.49 -4.23 -1.26 -4.85 115.64 113.54 2wbm s THR 89 Ca 0.25 0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 61.31 2wbm s THR 89 Cb -0.12 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.64 2wbm s THR 89 CO 0.16 -0.73 1.88 0.00 -0.54 0.00 0.00 174.62 175.39 2wbm h ALA 90 N -0.80 1.45 -0.16 3.99 0.00 -2.00 -1.44 119.26 120.31 2wbm h ALA 90 Ca -0.45 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 2wbm h ALA 90 Cb 1.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2wbm h ALA 90 CO 0.59 0.38 -0.59 1.49 0.00 0.00 0.00 179.25 181.12 2wbm h GLU 91 N 1.11 0.52 -0.29 0.00 4.57 -1.99 -2.36 114.58 116.13 2wbm h GLU 91 Ca 0.44 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 2wbm h GLU 91 Cb 0.24 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2wbm h GLU 91 CO -0.18 0.96 -0.09 1.96 -1.18 0.00 0.00 179.01 180.47 2wbm h GLN 92 N 0.39 0.57 -0.19 1.92 4.20 -1.78 -0.71 115.11 119.51 2wbm h GLN 92 Ca -0.00 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2wbm h GLN 92 Cb 1.13 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 2wbm h GLN 92 CO 0.11 0.78 0.12 -0.09 -0.67 0.00 0.00 178.83 179.08 2wbm h ARG 93 N 0.33 0.26 -0.17 1.46 2.43 -1.28 -0.08 114.38 117.33 2wbm h ARG 93 Ca 0.07 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2wbm h ARG 93 Cb 0.58 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2wbm h ARG 93 CO 0.03 0.20 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.57 2wbm h ARG 94 N 0.24 0.01 -0.21 0.20 2.43 -1.33 -0.63 114.38 115.09 2wbm h ARG 94 Ca 0.07 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wbm h ARG 94 Cb 0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2wbm h ARG 94 CO -0.01 0.01 0.13 0.37 -1.51 0.00 0.00 179.97 178.95 2wbm h GLN 95 N 0.01 0.29 -0.68 0.20 5.75 -1.00 0.40 115.11 120.08 2wbm h GLN 95 Ca 0.08 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2wbm h GLN 95 Cb 0.11 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2wbm h GLN 95 CO -0.16 0.25 0.41 0.52 -2.65 0.00 0.00 178.83 177.20 2wbm h MET 96 N 0.26 0.92 -0.38 1.69 2.86 -0.87 0.35 114.93 119.76 2wbm h MET 96 Ca 0.08 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2wbm h MET 96 Cb 0.03 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2wbm h MET 96 CO -0.01 0.66 -0.01 0.82 1.06 0.00 0.00 176.91 179.42 2wbm h ILE 97 N 0.93 1.26 -0.45 -1.22 2.04 -0.91 -1.56 117.51 117.59 2wbm h ILE 97 Ca 0.24 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2wbm h ILE 97 Cb -0.03 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2wbm h ILE 97 CO -0.05 0.34 0.15 -0.08 0.00 0.00 0.00 178.15 178.51 2wbm h GLU 98 N 0.50 0.69 -0.09 2.37 4.57 -0.66 0.15 114.58 122.12 2wbm h GLU 98 Ca 0.11 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2wbm h GLU 98 Cb 0.48 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2wbm h GLU 98 CO 0.02 0.66 -0.03 0.22 -1.18 0.00 0.00 179.01 178.70 2wbm h ASP 99 N 0.59 -0.11 -0.53 1.04 3.58 -0.87 -1.65 116.42 118.47 2wbm h ASP 99 Ca 0.15 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 2wbm h ASP 99 Cb 0.25 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2wbm h ASP 99 CO -0.01 -0.04 0.10 0.11 -2.88 0.00 0.00 179.24 176.52 2wbm h LYS 100 N -0.01 0.87 -0.25 0.28 1.57 -1.13 -2.56 116.57 115.34 2wbm h LYS 100 Ca 0.05 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2wbm h LYS 100 Cb 0.08 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2wbm h LYS 100 CO -0.10 0.84 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.48 2wbm h ARG 101 N 0.76 0.02 -0.53 3.15 2.43 -0.48 0.17 114.38 119.89 2wbm h ARG 101 Ca 0.16 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2wbm h ARG 101 Cb 0.39 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2wbm h ARG 101 CO 0.01 0.01 0.26 1.25 -1.51 0.00 0.00 179.97 179.99 2wbm h LEU 102 N 0.02 0.69 -1.01 3.80 5.85 -1.27 -0.61 115.31 122.78 2wbm h LEU 102 Ca 0.12 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2wbm h LEU 102 Cb 0.18 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2wbm h LEU 102 CO -0.24 0.62 0.20 0.11 -0.34 0.00 0.00 178.44 178.79 2wbm h LYS 103 N 0.72 0.91 -0.21 1.25 1.57 -1.08 -1.32 116.57 118.41 2wbm h LYS 103 Ca 0.18 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2wbm h LYS 103 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2wbm h LYS 103 CO -0.02 0.78 0.03 0.82 -0.57 0.00 0.00 179.45 180.48 2wbm h ILE 104 N 0.89 1.23 -0.29 1.86 2.04 -0.31 -0.75 117.51 122.17 2wbm h ILE 104 Ca 0.20 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2wbm h ILE 104 Cb 0.24 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2wbm h ILE 104 CO -0.01 0.23 0.13 0.40 0.00 0.00 0.00 178.15 178.90 2wbm h ILE 105 N 0.14 0.96 -0.45 -0.67 2.04 -0.87 -1.12 117.51 117.54 2wbm h ILE 105 Ca 0.06 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 2wbm h ILE 105 Cb 0.32 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2wbm h ILE 105 CO 0.00 0.05 -0.12 0.78 0.00 0.00 0.00 178.15 178.87 2wbm h ASN 106 N 0.28 0.81 -0.34 1.72 2.35 -1.19 -1.03 115.58 118.19 2wbm h ASN 106 Ca 0.13 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 2wbm h ASN 106 Cb 0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2wbm h ASN 106 CO -0.10 0.95 -0.23 0.50 -1.65 0.00 0.00 177.43 176.89 2wbm h LYS 107 N 0.74 0.75 -0.87 0.81 3.64 -0.93 -2.54 116.57 118.16 2wbm h LYS 107 Ca 0.12 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2wbm h LYS 107 Cb 0.62 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2wbm h LYS 107 CO 0.04 0.98 0.48 0.82 -2.27 0.00 0.00 179.45 179.49 2wbm h ILE 108 N 0.52 1.25 -0.86 2.00 2.04 -1.08 -0.41 117.51 120.97 2wbm h ILE 108 Ca 0.07 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.39 2wbm h ILE 108 Cb 0.79 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2wbm h ILE 108 CO 0.06 0.28 0.56 0.00 0.00 0.00 0.00 178.15 179.06 2wbm h ALA 109 N 1.30 1.65 0.22 1.87 0.00 -0.98 -1.53 119.26 121.79 2wbm h ALA 109 Ca 0.31 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.87 2wbm h ALA 109 Cb 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wbm h ALA 109 CO -0.05 0.18 -1.58 0.00 0.00 0.00 0.00 179.25 177.81 2wbm h ARG 110 N 0.86 0.46 0.00 0.00 3.08 -0.99 -3.39 114.38 114.40 2wbm h ARG 110 Ca 0.39 -0.79 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2wbm h ARG 110 Cb 0.38 0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wbm h ARG 110 CO -0.16 1.38 -0.94 0.39 -1.07 0.00 0.00 179.97 179.57 2wbm n GLU 111 N -3.69 0.35 -4.23 0.04 -0.58 -0.22 -1.12 120.64 111.19 2wbm n GLU 111 Ca -0.21 0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.28 2wbm n GLU 111 Cb 1.08 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 30.20 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 -3.22 2.98 0.17 0.62 0.00 -0.59 -2.29 121.76 119.42 2wbm s ALA 112 Ca 0.03 -1.28 0.10 0.00 0.00 0.00 0.00 51.96 50.82 2wbm s ALA 112 Cb 0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2wbm s ALA 112 CO 0.78 0.61 -0.22 -1.50 0.00 0.00 0.00 175.76 175.43 2wbm s ILE 113 N -1.31 2.06 -0.41 0.00 2.07 0.20 -3.16 121.20 120.67 2wbm s ILE 113 Ca 0.22 -1.90 -0.26 0.00 -1.41 0.00 0.00 60.65 57.30 2wbm s ILE 113 Cb -0.11 -1.94 0.02 0.00 0.13 0.00 0.00 42.46 40.57 2wbm s ILE 113 CO 0.14 -0.17 0.92 0.21 -1.91 0.00 0.00 174.94 174.14 2wbm s ASN 114 N -2.52 6.59 0.18 4.50 3.84 0.05 -1.43 114.94 126.15 2wbm s ASN 114 Ca 0.16 0.36 0.19 0.00 0.21 0.00 0.00 52.86 53.78 2wbm s ASN 114 Cb -0.08 -2.45 0.83 0.00 -0.55 0.00 0.00 41.25 39.00 2wbm s ASN 114 CO 0.08 -0.94 1.58 -0.81 -2.79 0.00 0.00 177.10 174.22 2wbm n PRO 115 N 6.94 0.12 0.09 0.43 -0.04 -1.26 -0.41 135.00 140.87 2wbm n PRO 115 Ca 0.06 0.41 -0.04 0.00 -0.04 0.00 0.00 63.50 63.89 2wbm n PRO 115 Cb 0.48 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 2wbm n PRO 115 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2wbm h GLN 116 N 0.00 0.00 0.00 0.54 4.20 -1.91 -3.39 115.11 114.55 2wbm h GLN 116 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wbm h GLN 116 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2wbm h GLN 116 CO 0.00 0.82 0.00 0.27 -0.67 0.00 0.00 178.83 179.25 2wbm n ASN 117 N -3.47 0.31 -2.26 1.46 0.23 -0.99 -5.03 115.26 105.51 2wbm n ASN 117 Ca -0.00 -1.07 -0.17 0.00 -0.53 0.00 0.00 54.58 52.80 2wbm n ASN 117 Cb 0.81 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.49 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 -0.04 -0.14 3.70 4.83 0.00 0.45 -4.99 105.19 109.01 2wbm n GLY 118 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.58 3.41 0.85 0.99 1.02 -1.25 -4.71 118.68 113.40 2wbm s LEU 119 Ca 0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 54.13 53.57 2wbm s LEU 119 Cb 0.00 -1.96 0.10 0.00 0.02 0.00 0.00 46.19 44.35 2wbm s LEU 119 CO 0.00 0.01 1.09 -2.16 0.02 0.00 0.00 176.35 175.31 2wbm s PRO 120 N -3.58 1.66 0.08 1.29 0.04 -1.26 -0.77 135.00 132.46 2wbm s PRO 120 Ca 0.31 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 2wbm s PRO 120 Cb -0.07 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2wbm s PRO 120 CO 0.21 -2.00 0.74 -1.01 0.04 0.00 0.00 177.00 174.98 2wbm s HIS 121 N -2.93 3.79 0.58 0.56 3.76 -1.26 -4.77 115.29 115.02 2wbm s HIS 121 Ca 0.62 1.48 -0.20 0.00 -0.15 0.00 0.00 55.06 56.81 2wbm s HIS 121 Cb -0.18 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 2wbm s HIS 121 CO 0.57 0.38 1.31 -1.25 -0.85 0.00 0.00 174.74 174.90 2wbm s PRO 122 N -0.47 2.94 0.31 8.40 0.04 -1.26 -4.71 135.00 140.25 2wbm s PRO 122 Ca 0.36 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.59 2wbm s PRO 122 Cb -0.21 -2.09 0.77 0.00 0.04 0.00 0.00 34.50 33.01 2wbm s PRO 122 CO 0.23 -1.31 1.76 -1.35 0.04 0.00 0.00 177.00 176.37 2wbm h PRO 123 N 1.11 0.70 -0.48 0.56 0.11 -1.96 -1.09 132.00 130.95 2wbm h PRO 123 Ca -0.51 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 2wbm h PRO 123 Cb 1.31 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2wbm h PRO 123 CO 0.56 0.46 0.13 0.87 -0.21 0.00 0.00 178.00 179.81 2wbm h LYS 124 N 0.72 0.71 -0.34 1.05 1.57 -1.98 -0.52 116.57 117.78 2wbm h LYS 124 Ca 0.59 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 59.09 2wbm h LYS 124 Cb 0.97 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 2wbm h LYS 124 CO -0.41 0.64 -0.41 -0.09 -0.57 0.00 0.00 179.45 178.61 2wbm h ARG 125 N 0.70 0.89 -0.29 3.15 9.65 -1.59 -1.53 114.38 125.35 2wbm h ARG 125 Ca 0.16 -0.49 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2wbm h ARG 125 Cb 0.24 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2wbm h ARG 125 CO -0.01 1.14 0.19 0.82 2.80 0.00 0.00 179.97 184.91 2wbm h ILE 126 N 0.69 1.09 -0.57 1.20 2.04 -1.09 -1.74 117.51 119.12 2wbm h ILE 126 Ca 0.05 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2wbm h ILE 126 Cb 1.01 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2wbm h ILE 126 CO 0.10 0.08 0.35 -0.08 0.00 0.00 0.00 178.15 178.60 2wbm h GLU 127 N 0.38 0.68 -0.61 2.37 4.81 -1.04 -0.92 114.58 120.26 2wbm h GLU 127 Ca 0.11 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2wbm h GLU 127 Cb -0.02 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2wbm h GLU 127 CO -0.02 0.45 0.28 -0.22 -0.73 0.00 0.00 179.01 178.77 2wbm h LYS 128 N 0.70 0.88 -0.82 1.92 3.64 -1.14 -1.20 116.57 120.55 2wbm h LYS 128 Ca 0.23 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2wbm h LYS 128 Cb 0.00 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2wbm h LYS 128 CO -0.09 0.71 0.36 0.00 -2.27 0.00 0.00 179.45 178.17 2wbm h ALA 129 N 1.12 1.07 -0.29 5.00 0.00 -0.99 0.09 119.26 125.25 2wbm h ALA 129 Ca 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wbm h ALA 129 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wbm h ALA 129 CO -0.02 0.66 0.17 0.52 0.00 0.00 0.00 179.25 180.58 2wbm h MET 130 N 1.19 0.33 -0.64 0.00 2.86 -0.78 -0.29 114.93 117.60 2wbm h MET 130 Ca 0.28 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2wbm h MET 130 Cb 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2wbm h MET 130 CO -0.03 0.22 0.32 0.93 1.06 0.00 0.00 176.91 179.41 2wbm h GLU 131 N 0.34 0.91 -0.81 1.72 5.08 -0.93 -0.35 114.58 120.55 2wbm h GLU 131 Ca 0.11 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wbm h GLU 131 Cb 0.00 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2wbm h GLU 131 CO -0.06 0.71 0.45 0.93 -1.00 0.00 0.00 179.01 180.05 2wbm h GLU 132 N 0.87 1.12 -0.01 2.33 5.08 -0.77 -2.19 114.58 121.01 2wbm h GLU 132 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wbm h GLU 132 Cb 0.09 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2wbm h GLU 132 CO -0.03 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 2wbm n ALA 133 N -2.37 2.65 -3.84 3.43 0.00 -0.14 -4.92 120.51 115.33 2wbm n ALA 133 Ca 0.08 -0.25 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 2wbm n ALA 133 Cb 0.08 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.70 -5.06 -2.23 0.00 1.74 -0.46 -4.94 116.66 105.02 2wbm n ARG 134 Ca 0.21 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 2wbm n ARG 134 Cb 0.16 -5.28 -0.03 0.00 -1.02 0.00 0.00 32.46 26.29 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 -3.51 3.48 -0.17 1.55 1.01 -0.27 -5.03 120.40 117.46 2wbm s VAL 135 Ca 0.34 1.05 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 2wbm s VAL 135 Cb -0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2wbm s VAL 135 CO 0.83 0.08 -0.09 -1.00 0.00 0.00 0.00 175.10 174.92 2wbm s HIS 136 N 1.17 2.89 0.06 5.22 3.76 -1.26 -4.83 115.29 122.29 2wbm s HIS 136 Ca 0.63 -0.81 -0.26 0.00 -0.15 0.00 0.00 55.06 54.48 2wbm s HIS 136 Cb -0.35 -1.97 -0.06 0.00 1.11 0.00 0.00 32.58 31.32 2wbm s HIS 136 CO 0.30 -0.38 0.80 0.08 -0.85 0.00 0.00 174.74 174.69 2wbm s VAL 137 N 0.89 4.69 0.26 -0.90 1.01 -1.26 -5.04 120.40 120.04 2wbm s VAL 137 Ca -0.02 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 2wbm s VAL 137 Cb -0.15 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 2wbm s VAL 137 CO 0.00 0.36 0.97 -0.62 0.00 0.00 0.00 175.10 175.81 2wbm s ASP 138 N -0.05 7.53 0.51 3.32 2.15 -1.26 -4.89 116.67 123.98 2wbm s ASP 138 Ca 0.40 2.00 0.30 0.00 0.43 0.00 0.00 52.55 55.68 2wbm s ASP 138 Cb -0.21 -2.61 1.07 0.00 -0.30 0.00 0.00 42.92 40.87 2wbm s ASP 138 CO 0.24 0.07 1.88 1.55 -0.17 0.00 0.00 175.17 178.74 2wbm h PRO 139 N 3.96 0.00 0.00 4.34 0.13 -1.90 -3.38 132.00 135.15 2wbm h PRO 139 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 2wbm h PRO 139 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2wbm h PRO 139 CO 0.67 0.04 -2.02 1.19 -0.23 0.00 0.00 178.00 177.66 2wbm n PHE 140 N -3.13 0.00 -1.89 1.56 3.72 -1.26 -4.80 117.46 111.66 2wbm n PHE 140 Ca 0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.01 2wbm n PHE 140 Cb 0.38 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2wbm n PHE 140 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2wbm s LYS 141 N -2.36 3.90 0.86 -1.08 1.02 -1.26 -4.95 119.74 115.87 2wbm s LYS 141 Ca -0.21 2.37 -0.10 0.00 0.02 0.00 0.00 55.97 58.04 2wbm s LYS 141 Cb 0.06 -2.78 0.11 0.00 -0.52 0.00 0.00 37.83 34.71 2wbm s LYS 141 CO 0.45 -0.63 1.13 0.95 -0.92 0.00 0.00 175.35 176.33 2wbm s THR 142 N -1.20 2.53 0.20 2.17 -4.23 -1.26 -4.82 115.64 109.03 2wbm s THR 142 Ca 0.57 0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 61.15 2wbm s THR 142 Cb -0.42 -2.37 0.13 0.00 1.34 0.00 0.00 72.50 71.18 2wbm s THR 142 CO 0.55 -0.22 1.77 0.58 -0.54 0.00 0.00 174.62 176.76 2wbm h VAL 143 N -1.61 0.85 -0.23 2.29 2.07 -1.93 -1.80 116.25 115.89 2wbm h VAL 143 Ca -0.43 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2wbm h VAL 143 Cb 1.26 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2wbm h VAL 143 CO 0.45 0.09 -0.14 0.44 0.02 0.00 0.00 177.57 178.44 2wbm h ASP 144 N 0.49 0.38 -0.05 0.57 3.32 -1.99 -0.03 116.42 119.10 2wbm h ASP 144 Ca 0.29 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2wbm h ASP 144 Cb 0.29 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2wbm h ASP 144 CO -0.25 0.54 0.00 -0.08 -1.72 0.00 0.00 179.24 177.74 2wbm h GLU 145 N 0.36 0.10 0.00 3.56 4.81 -1.85 -3.29 114.58 118.27 2wbm h GLU 145 Ca 0.07 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2wbm h GLU 145 Cb 0.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2wbm h GLU 145 CO 0.03 0.37 -0.24 1.96 -0.73 0.00 0.00 179.01 180.40 2wbm h GLN 146 N -0.19 0.00 -0.45 1.92 4.20 -0.43 -2.83 115.11 117.32 2wbm h GLN 146 Ca 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2wbm h GLN 146 Cb 0.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2wbm h GLN 146 CO 0.00 0.24 0.21 -0.39 -0.67 0.00 0.00 178.83 178.22 2wbm h VAL 147 N 0.00 1.16 -0.34 -0.54 -1.51 -1.11 0.36 116.25 114.27 2wbm h VAL 147 Ca -0.00 -0.46 -0.06 0.00 -1.23 0.00 0.00 66.70 64.95 2wbm h VAL 147 Cb 0.47 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2wbm h VAL 147 CO 0.03 0.19 -0.02 0.78 -1.23 0.00 0.00 177.57 177.31 2wbm h ASN 148 N 0.64 0.60 -0.01 4.19 2.35 -1.66 0.02 115.58 121.71 2wbm h ASN 148 Ca 0.16 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2wbm h ASN 148 Cb 0.08 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2wbm h ASN 148 CO -0.02 0.78 -0.02 0.40 -1.65 0.00 0.00 177.43 176.92 2wbm h ILE 149 N 0.41 0.94 -0.37 2.81 2.04 -1.51 -1.94 117.51 119.88 2wbm h ILE 149 Ca 0.09 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 2wbm h ILE 149 Cb 0.49 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2wbm h ILE 149 CO 0.02 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.73 2wbm h VAL 150 N -0.04 1.26 -0.81 1.67 2.07 -0.91 -2.15 116.25 117.35 2wbm h VAL 150 Ca 0.01 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2wbm h VAL 150 Cb 0.06 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2wbm h VAL 150 CO -0.03 0.35 0.43 0.25 0.02 0.00 0.00 177.57 178.59 2wbm h LEU 151 N 0.49 1.03 -0.63 2.57 5.85 -0.94 0.11 115.31 123.79 2wbm h LEU 151 Ca 0.10 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2wbm h LEU 151 Cb 0.50 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2wbm h LEU 151 CO 0.02 0.84 0.38 0.50 -0.34 0.00 0.00 178.44 179.85 2wbm h LYS 152 N 1.14 0.72 -0.43 1.25 3.64 -1.21 -0.54 116.57 121.13 2wbm h LYS 152 Ca 0.28 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 2wbm h LYS 152 Cb 0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2wbm h LYS 152 CO -0.04 0.48 0.03 0.00 -2.27 0.00 0.00 179.45 177.64 2wbm h ALA 153 N 1.29 0.58 0.00 5.00 0.00 -0.64 -3.21 119.26 122.28 2wbm h ALA 153 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wbm h ALA 153 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wbm h ALA 153 CO -0.12 0.35 -0.13 -0.84 0.00 0.00 0.00 179.25 178.51 2wbm h ILE 154 N 0.60 0.00 0.00 0.00 3.07 -0.69 -2.62 117.51 117.86 2wbm h ILE 154 Ca 0.13 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.87 2wbm h ILE 154 Cb 0.45 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2wbm h ILE 154 CO 0.02 0.00 0.00 -0.09 -1.05 0.00 0.00 178.15 177.03 2wbm h ARG 155 N 0.00 0.00 0.00 0.16 2.43 -1.10 0.22 114.38 116.09 2wbm h ARG 155 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wbm h ARG 155 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2wbm h ARG 155 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 2wbm n THR 156 N -2.91 0.91 -0.00 0.20 -2.24 -0.99 -4.00 114.28 105.25 2wbm n THR 156 Ca -0.02 0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2wbm n THR 156 Cb 0.12 -0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -1.57 1.00 -4.11 -0.78 4.76 0.60 -5.07 118.16 112.99 2wbm n LYS 157 Ca 0.04 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 2wbm n LYS 157 Cb 0.19 -1.00 -0.13 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.00 0.46 0.08 -0.18 -4.36 -0.20 -5.10 121.20 109.89 2wbm s ILE 158 Ca -0.00 -0.62 -0.31 0.00 -0.26 0.00 0.00 60.65 59.46 2wbm s ILE 158 Cb 0.00 -0.46 -0.08 0.00 1.25 0.00 0.00 42.46 43.17 2wbm s ILE 158 CO 0.00 -0.12 1.53 -2.16 0.24 0.00 0.00 174.94 174.44 2wbm s PRO 159 N -0.80 4.24 -0.28 0.37 0.04 -1.26 -4.15 135.00 133.17 2wbm s PRO 159 Ca -0.04 2.21 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 2wbm s PRO 159 Cb -0.06 -3.44 0.09 0.00 0.04 0.00 0.00 34.50 31.12 2wbm s PRO 159 CO 0.00 -0.62 0.76 -1.50 0.04 0.00 0.00 177.00 175.68 2wbm s ILE 160 N 2.02 0.00 -0.01 0.56 2.07 -1.26 -4.36 121.20 120.21 2wbm s ILE 160 Ca 0.69 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 2wbm s ILE 160 Cb -0.38 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.21 2wbm s ILE 160 CO 0.30 0.00 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.77 2wbm s LYS 161 N 0.97 0.24 0.03 3.50 -0.14 -0.51 -4.91 119.74 118.92 2wbm s LYS 161 Ca -0.05 -0.05 -0.30 0.00 -1.36 0.00 0.00 55.97 54.21 2wbm s LYS 161 Cb -0.05 -0.29 -0.05 0.00 -1.68 0.00 0.00 37.83 35.77 2wbm s LYS 161 CO -0.10 0.01 1.14 -0.06 -0.76 0.00 0.00 175.35 175.58 2wbm s PHE 162 N 0.23 3.46 0.01 3.18 0.08 -1.26 -0.62 117.98 123.06 2wbm s PHE 162 Ca -0.02 1.40 -0.19 0.00 0.12 0.00 0.00 56.93 58.24 2wbm s PHE 162 Cb -0.05 -3.34 0.04 0.00 -0.57 0.00 0.00 43.02 39.10 2wbm s PHE 162 CO -0.01 -0.94 0.41 -1.83 -0.10 0.00 0.00 175.22 172.76 2wbm s GLU 163 N 1.22 0.84 0.04 0.44 -1.05 -0.97 -4.96 118.70 114.26 2wbm s GLU 163 Ca 0.56 -0.21 -0.00 0.00 -0.15 0.00 0.00 54.97 55.17 2wbm s GLU 163 Cb -0.26 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 2wbm s GLU 163 CO 0.28 -0.27 0.16 0.15 0.95 0.00 0.00 175.26 176.53 2wbm s LYS 164 N -1.87 3.28 -0.12 -4.83 -0.14 -1.26 -0.29 119.74 114.51 2wbm s LYS 164 Ca -0.09 -0.47 0.02 0.00 -1.36 0.00 0.00 55.97 54.07 2wbm s LYS 164 Cb -0.02 -2.97 -0.01 0.00 -1.68 0.00 0.00 37.83 33.15 2wbm s LYS 164 CO 0.02 0.62 -0.19 0.08 -0.76 0.00 0.00 175.35 175.12 2wbm s VAL 165 N -1.40 2.51 -0.16 3.17 1.01 0.12 -4.83 120.40 120.83 2wbm s VAL 165 Ca 0.30 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2wbm s VAL 165 Cb -0.13 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2wbm s VAL 165 CO 0.23 0.54 -0.02 -0.13 0.00 0.00 0.00 175.10 175.72 2wbm s ARG 166 N 0.37 3.74 -0.01 2.72 0.52 -1.26 -1.00 118.95 124.03 2wbm s ARG 166 Ca -0.15 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2wbm s ARG 166 Cb -0.17 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.33 2wbm s ARG 166 CO 0.07 0.25 0.01 0.54 0.02 0.00 0.00 175.30 176.20 2wbm s VAL 167 N 0.36 -0.02 -0.42 3.52 0.11 -0.45 -4.97 120.40 118.53 2wbm s VAL 167 Ca -0.03 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.94 2wbm s VAL 167 Cb -0.14 -0.05 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 2wbm s VAL 167 CO 0.02 0.04 0.50 0.00 -3.33 0.00 0.00 175.10 172.34 2wbm s ALA 168 N 0.50 3.40 0.02 1.54 0.00 -1.26 -0.52 121.76 125.44 2wbm s ALA 168 Ca -0.04 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 2wbm s ALA 168 Cb -0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2wbm s ALA 168 CO -0.01 -1.64 0.16 0.96 0.00 0.00 0.00 175.76 175.22 2wbm s ILE 169 N 2.36 5.19 -0.13 0.00 -4.36 -0.14 -0.87 121.20 123.25 2wbm s ILE 169 Ca 0.16 -0.33 0.01 0.00 -0.26 0.00 0.00 60.65 60.23 2wbm s ILE 169 Cb -0.16 -3.45 0.02 0.00 1.25 0.00 0.00 42.46 40.12 2wbm s ILE 169 CO 0.15 0.26 -0.14 -0.75 0.24 0.00 0.00 174.94 174.70 2wbm s LYS 170 N -2.09 2.20 0.13 0.37 2.20 0.34 -1.21 119.74 121.67 2wbm s LYS 170 Ca 0.29 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 2wbm s LYS 170 Cb -0.13 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 2wbm s LYS 170 CO 0.20 -0.16 -0.06 0.96 -0.36 0.00 0.00 175.35 175.94 2wbm s ILE 171 N 1.26 0.82 0.35 5.43 -4.36 -0.34 -1.76 121.20 122.60 2wbm s ILE 171 Ca -0.01 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 2wbm s ILE 171 Cb -0.14 -1.82 -0.11 0.00 1.25 0.00 0.00 42.46 41.64 2wbm s ILE 171 CO -0.06 -0.76 1.54 -2.84 0.24 0.00 0.00 174.94 173.06 2wbm s PRO 172 N -3.83 4.10 0.56 0.37 0.02 -1.26 -0.79 135.00 134.17 2wbm s PRO 172 Ca 0.16 2.59 0.27 0.00 0.02 0.00 0.00 61.00 64.03 2wbm s PRO 172 Cb 0.05 -2.98 1.63 0.00 0.02 0.00 0.00 34.50 33.21 2wbm s PRO 172 CO -0.02 -0.59 2.19 0.78 -0.33 0.00 0.00 177.00 179.04 2wbm h GLY 173 N 3.70 0.00 2.00 0.52 0.00 -1.72 -1.70 103.07 105.87 2wbm h GLY 173 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2wbm h GLY 173 CO 0.70 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.29 2wbm h GLU 174 N 0.00 0.00 -0.19 4.80 4.11 -1.90 -1.94 114.58 119.47 2wbm h GLU 174 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2wbm h GLU 174 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2wbm h GLU 174 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.75 2wbm n MET 175 N -2.65 2.27 -0.10 1.06 2.81 -0.64 -4.73 117.12 115.14 2wbm n MET 175 Ca -0.01 -1.67 -0.02 0.00 -1.81 0.00 0.00 57.70 54.20 2wbm n MET 175 Cb 0.11 -1.17 0.23 0.00 -0.71 0.00 0.00 33.22 31.68 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 1.40 1.30 0.67 3.04 0.00 -1.39 0.16 119.26 124.44 2wbm h ALA 176 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2wbm h ALA 176 Cb 0.58 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wbm h ALA 176 CO 0.00 0.50 -0.32 0.78 0.00 0.00 0.00 179.25 180.21 2wbm h GLY 177 N 0.92 -0.94 1.24 0.00 0.00 -1.85 -0.88 103.07 101.56 2wbm h GLY 177 Ca 0.17 0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.77 2wbm h GLY 177 CO -0.01 -0.34 0.05 1.48 0.00 0.00 0.00 176.54 177.72 2wbm h SER 178 N -0.92 0.89 -0.75 0.19 4.64 -1.87 -2.99 113.55 112.74 2wbm h SER 178 Ca -0.09 -0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 2wbm h SER 178 Cb 0.70 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 2wbm h SER 178 CO 0.15 0.92 0.26 0.00 -0.87 0.00 0.00 176.83 177.29 2wbm h ALA 179 N 1.18 1.02 -0.82 5.18 0.00 -0.90 -1.73 119.26 123.19 2wbm h ALA 179 Ca 0.17 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2wbm h ALA 179 Cb 0.44 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2wbm h ALA 179 CO 0.02 0.66 0.49 -0.92 0.00 0.00 0.00 179.25 179.50 2wbm h TYR 180 N 1.12 0.91 -0.25 0.00 3.20 -1.03 0.26 116.97 121.17 2wbm h TYR 180 Ca 0.25 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2wbm h TYR 180 Cb 0.28 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2wbm h TYR 180 CO 0.02 0.44 0.14 0.78 -1.64 0.00 0.00 178.16 177.91 2wbm h GLY 181 N 0.88 0.37 0.67 1.82 0.00 -1.28 -1.27 103.07 104.26 2wbm h GLY 181 Ca 0.36 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.54 2wbm h GLY 181 CO -0.19 0.15 -0.23 -2.08 0.00 0.00 0.00 176.54 174.20 2wbm h VAL 182 N 0.30 0.49 -0.67 4.60 2.07 -0.98 -2.54 116.25 119.52 2wbm h VAL 182 Ca 0.09 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.74 2wbm h VAL 182 Cb 0.04 0.49 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 2wbm h VAL 182 CO -0.02 0.00 0.16 0.40 0.02 0.00 0.00 177.57 178.14 2wbm h ILE 183 N -0.46 0.59 -0.91 4.57 2.04 -0.86 -0.17 117.51 122.32 2wbm h ILE 183 Ca 0.01 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.88 2wbm h ILE 183 Cb 0.45 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 2wbm h ILE 183 CO -0.09 0.05 0.58 0.28 0.00 0.00 0.00 178.15 178.98 2wbm h SER 184 N 0.28 0.79 0.25 1.72 0.02 -1.06 0.49 113.55 116.04 2wbm h SER 184 Ca 0.36 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.19 2wbm h SER 184 Cb 0.58 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2wbm h SER 184 CO -0.45 0.44 -0.61 0.78 -1.14 0.00 0.00 176.83 175.86 2wbm h ASN 185 N 0.86 0.40 0.25 3.07 2.35 -0.62 -3.32 115.58 118.56 2wbm h ASN 185 Ca 0.43 -0.23 -0.34 0.00 -0.55 0.00 0.00 56.30 55.61 2wbm h ASN 185 Cb 0.48 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2wbm h ASN 185 CO -0.19 0.91 -1.79 -0.26 -1.65 0.00 0.00 177.43 174.45 2wbm h PHE 186 N 0.26 0.52 0.00 1.19 -1.00 -0.64 -3.51 116.94 113.77 2wbm h PHE 186 Ca -0.01 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 60.39 2wbm h PHE 186 Cb 1.13 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2wbm h PHE 186 CO 0.03 1.60 0.00 0.41 -1.61 0.00 0.00 178.31 178.74 2wbm n GLY 187 N 1.84 1.87 3.02 -1.45 0.00 0.16 -4.32 105.19 106.31 2wbm n GLY 187 Ca -0.25 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2wbm n GLY 187 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wbm s LYS 188 N 4.18 0.37 -0.08 1.61 -2.85 -0.54 -4.32 119.74 118.11 2wbm s LYS 188 Ca 0.00 -0.57 -0.18 0.00 -1.00 0.00 0.00 55.97 54.22 2wbm s LYS 188 Cb 0.00 0.14 -0.05 0.00 -2.06 0.00 0.00 37.83 35.86 2wbm s LYS 188 CO 0.00 -0.07 0.50 0.42 0.10 0.00 0.00 175.35 176.30 2wbm s ILE 189 N -1.51 5.11 -0.23 3.79 1.01 -1.26 -0.66 121.20 127.45 2wbm s ILE 189 Ca -0.15 1.02 0.11 0.00 0.00 0.00 0.00 60.65 61.62 2wbm s ILE 189 Cb -0.09 -3.84 -0.15 0.00 0.01 0.00 0.00 42.46 38.40 2wbm s ILE 189 CO -0.01 0.37 0.33 0.35 0.00 0.00 0.00 174.94 175.99 2wbm n THR 190 N 3.30 0.00 -3.53 2.92 -2.24 0.51 -4.97 114.28 110.27 2wbm n THR 190 Ca -0.08 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 2wbm n THR 190 Cb 0.52 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 2wbm n THR 190 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wbm s ASN 191 N -2.73 -0.61 0.01 3.42 3.84 -1.19 -4.99 114.94 112.69 2wbm s ASN 191 Ca -0.01 0.67 -0.12 0.00 0.21 0.00 0.00 52.86 53.61 2wbm s ASN 191 Cb 0.08 0.51 0.01 0.00 -0.55 0.00 0.00 41.25 41.30 2wbm s ASN 191 CO 0.45 -0.55 0.24 -1.83 -2.79 0.00 0.00 177.10 172.62 2wbm s GLU 192 N -1.15 0.64 -0.01 0.43 -1.05 -1.26 -0.73 118.70 115.56 2wbm s GLU 192 Ca -0.09 -0.36 0.01 0.00 -0.15 0.00 0.00 54.97 54.38 2wbm s GLU 192 Cb -0.00 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2wbm s GLU 192 CO 0.08 -0.18 -0.03 -1.21 0.95 0.00 0.00 175.26 174.88 2wbm s GLU 193 N -1.68 0.33 -0.15 -4.83 2.02 0.19 -5.01 118.70 109.57 2wbm s GLU 193 Ca -0.12 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 2wbm s GLU 193 Cb -0.05 -0.37 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 2wbm s GLU 193 CO 0.01 0.01 -0.02 -1.58 0.02 0.00 0.00 175.26 173.71 2wbm s TRP 194 N 0.26 3.08 0.43 1.61 0.52 -1.26 -0.46 118.94 123.11 2wbm s TRP 194 Ca -0.02 -0.15 -0.01 0.00 0.02 0.00 0.00 56.10 55.93 2wbm s TRP 194 Cb -0.05 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 2wbm s TRP 194 CO -0.01 0.08 0.67 -0.65 0.02 0.00 0.00 176.95 177.07 2wbm s GLN 195 N 0.15 3.31 0.38 4.98 -0.21 0.50 -4.99 119.66 123.79 2wbm s GLN 195 Ca -0.00 -0.24 0.09 0.00 0.02 0.00 0.00 55.36 55.24 2wbm s GLN 195 Cb -0.13 -2.53 0.85 0.00 1.00 0.00 0.00 33.01 32.20 2wbm s GLN 195 CO 0.02 -0.14 1.93 -0.97 -2.12 0.00 0.00 175.29 174.01 2wbm h ASN 196 N 0.44 0.58 0.00 5.90 -0.73 -2.00 -1.14 115.58 118.63 2wbm h ASN 196 Ca -0.48 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.71 2wbm h ASN 196 Cb 1.23 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.72 2wbm h ASN 196 CO 0.60 0.34 0.00 -0.90 -0.37 0.00 0.00 177.43 177.09 2wbm n ASP 197 N -4.50 0.00 0.00 1.15 5.68 -1.26 -4.82 116.55 112.79 2wbm n ASP 197 Ca 0.13 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 2wbm n ASP 197 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 0.63 0.58 3.76 6.12 0.00 -0.43 -4.90 105.19 110.95 2wbm n GLY 198 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2wbm n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wbm s SER 199 N -2.75 5.79 -0.15 1.61 0.01 -1.25 -2.00 113.70 114.95 2wbm s SER 199 Ca 0.00 2.83 0.01 0.00 1.31 0.00 0.00 55.95 60.10 2wbm s SER 199 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2wbm s SER 199 CO 0.00 -1.22 -0.18 0.86 0.41 0.00 0.00 173.24 173.11 2wbm s TRP 200 N -1.24 2.75 -0.23 2.43 -0.00 0.03 -0.37 118.94 122.31 2wbm s TRP 200 Ca 0.63 -1.19 -0.04 0.00 -0.00 0.00 0.00 56.10 55.51 2wbm s TRP 200 Cb -0.42 -1.87 -0.00 0.00 -0.00 0.00 0.00 33.47 31.18 2wbm s TRP 200 CO 0.53 -0.55 -0.04 0.42 -0.00 0.00 0.00 176.95 177.31 2wbm s ILE 201 N 0.87 3.33 -0.11 5.86 1.01 0.39 -1.20 121.20 131.35 2wbm s ILE 201 Ca -0.05 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2wbm s ILE 201 Cb -0.15 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2wbm s ILE 201 CO -0.02 0.39 -0.23 0.00 0.00 0.00 0.00 174.94 175.08 2wbm s ALA 202 N 1.46 2.16 -0.19 9.38 0.00 -0.35 -0.64 121.76 133.59 2wbm s ALA 202 Ca 0.05 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 2wbm s ALA 202 Cb -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2wbm s ALA 202 CO -0.03 0.20 0.61 0.08 0.00 0.00 0.00 175.76 176.61 2wbm s VAL 203 N 0.48 5.05 0.07 0.00 1.01 0.09 -0.97 120.40 126.13 2wbm s VAL 203 Ca -0.16 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.06 2wbm s VAL 203 Cb -0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2wbm s VAL 203 CO 0.06 0.14 -0.24 -0.69 0.00 0.00 0.00 175.10 174.37 2wbm s VAL 204 N 1.74 1.98 -0.14 2.92 1.01 0.32 -0.36 120.40 127.85 2wbm s VAL 204 Ca 0.28 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.83 2wbm s VAL 204 Cb -0.16 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 2wbm s VAL 204 CO 0.11 0.19 -0.17 -0.70 0.00 0.00 0.00 175.10 174.53 2wbm s GLU 205 N -1.51 3.18 0.14 2.72 2.12 0.16 -1.33 118.70 124.17 2wbm s GLU 205 Ca 0.10 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 54.72 2wbm s GLU 205 Cb -0.10 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 2wbm s GLU 205 CO 0.03 0.06 -0.15 0.96 -0.54 0.00 0.00 175.26 175.63 2wbm s ILE 206 N 0.68 1.44 0.37 -3.70 -4.36 -0.17 -1.46 121.20 114.00 2wbm s ILE 206 Ca -0.08 -1.79 -0.28 0.00 -0.26 0.00 0.00 60.65 58.24 2wbm s ILE 206 Cb -0.16 -1.63 -0.10 0.00 1.25 0.00 0.00 42.46 41.82 2wbm s ILE 206 CO 0.02 -0.42 1.41 -2.84 0.24 0.00 0.00 174.94 173.35 2wbm s PRO 207 N -2.78 4.12 0.37 0.37 0.02 -1.26 -0.70 135.00 135.14 2wbm s PRO 207 Ca 0.11 2.42 0.05 0.00 0.02 0.00 0.00 61.00 63.60 2wbm s PRO 207 Cb -0.05 -2.94 0.74 0.00 0.02 0.00 0.00 34.50 32.27 2wbm s PRO 207 CO 0.04 -0.46 2.02 0.78 -0.33 0.00 0.00 177.00 179.04 2wbm h GLY 208 N 3.01 0.80 2.00 0.52 0.00 -0.75 -0.66 103.07 107.98 2wbm h GLY 208 Ca -0.50 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.54 2wbm h GLY 208 CO 0.64 0.27 0.00 0.61 0.00 0.00 0.00 176.54 178.06 2wbm n GLY 209 N -1.45 -0.82 0.58 4.60 0.00 -0.27 -2.34 105.19 105.48 2wbm n GLY 209 Ca 0.06 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.68 2.18 -0.08 0.99 4.77 -0.25 -4.22 117.00 118.71 2wbm n LEU 210 Ca 0.01 -0.84 -0.07 0.00 -0.03 0.00 0.00 56.01 55.08 2wbm n LEU 210 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2wbm n LEU 210 CO 0.08 0.39 0.82 -0.61 -1.33 0.00 0.00 177.39 176.74 2wbm h GLN 211 N 2.86 0.01 -0.05 3.23 4.15 -1.53 0.17 115.11 123.95 2wbm h GLN 211 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wbm h GLN 211 Cb 0.74 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 2wbm h GLN 211 CO 0.00 0.01 0.02 0.22 -1.93 0.00 0.00 178.83 177.15 2wbm h ASP 212 N 0.01 0.06 0.25 -0.69 3.58 -1.82 -1.94 116.42 115.87 2wbm h ASP 212 Ca 0.14 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 2wbm h ASP 212 Cb 0.21 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2wbm h ASP 212 CO -0.30 0.15 -0.41 0.77 -2.88 0.00 0.00 179.24 176.58 2wbm h SER 213 N -0.03 0.22 0.15 2.28 4.64 -1.77 -2.20 113.55 116.83 2wbm h SER 213 Ca 0.02 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2wbm h SER 213 Cb 0.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2wbm h SER 213 CO -0.00 0.61 -0.07 0.15 -0.87 0.00 0.00 176.83 176.65 2wbm h PHE 214 N 0.18 -0.18 -0.90 4.77 3.57 -0.46 -0.92 116.94 123.00 2wbm h PHE 214 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2wbm h PHE 214 Cb 0.80 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 2wbm h PHE 214 CO 0.01 -0.00 0.48 1.88 -2.23 0.00 0.00 178.31 178.45 2wbm h TYR 215 N -0.33 1.25 -0.40 0.41 0.05 -1.28 -0.86 116.97 115.81 2wbm h TYR 215 Ca -0.02 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2wbm h TYR 215 Cb 0.26 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2wbm h TYR 215 CO -0.03 0.87 0.20 0.37 -1.05 0.00 0.00 178.16 178.52 2wbm h GLN 216 N 1.26 0.56 -0.48 4.88 4.15 -1.31 -1.31 115.11 122.86 2wbm h GLN 216 Ca 0.31 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 2wbm h GLN 216 Cb 0.04 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2wbm h GLN 216 CO -0.05 0.48 0.23 -0.22 -1.93 0.00 0.00 178.83 177.33 2wbm h LYS 217 N 0.50 0.69 -0.65 1.69 1.63 -0.74 -1.51 116.57 118.18 2wbm h LYS 217 Ca 0.14 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2wbm h LYS 217 Cb 0.09 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 2wbm h LYS 217 CO -0.02 0.59 0.20 -0.07 -3.45 0.00 0.00 179.45 176.70 2wbm h LEU 218 N 0.63 0.95 -0.68 5.20 3.38 -1.03 -0.57 115.31 123.19 2wbm h LEU 218 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2wbm h LEU 218 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2wbm h LEU 218 CO -0.02 0.91 0.38 -1.28 0.09 0.00 0.00 178.44 178.52 2wbm h SER 219 N 0.95 0.85 -0.21 -0.43 0.87 -1.07 -1.03 113.55 113.48 2wbm h SER 219 Ca 0.21 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2wbm h SER 219 Cb 0.30 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2wbm h SER 219 CO -0.01 0.69 0.07 -0.33 -0.53 0.00 0.00 176.83 176.73 2wbm h GLU 220 N 0.94 0.31 -0.80 2.24 5.08 -0.97 0.86 114.58 122.24 2wbm h GLU 220 Ca 0.24 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2wbm h GLU 220 Cb 0.03 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2wbm h GLU 220 CO -0.04 0.39 0.45 1.25 -1.00 0.00 0.00 179.01 180.06 2wbm h LEU 221 N 0.17 0.98 -1.50 1.33 5.85 -0.93 -3.08 115.31 118.13 2wbm h LEU 221 Ca 0.07 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wbm h LEU 221 Cb 0.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2wbm h LEU 221 CO -0.00 0.78 -0.05 0.35 -0.34 0.00 0.00 178.44 179.18 2wbm n THR 222 N -4.36 0.00 -2.50 1.05 -2.24 -0.41 -4.93 114.28 100.89 2wbm n THR 222 Ca 0.08 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 2wbm n THR 222 Cb 0.09 1.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.16 1.54 3.38 0.00 -0.60 -3.02 105.19 107.64 2wbm n GLY 223 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.14 0.58 2.70 -0.02 0.00 0.20 -4.97 105.19 102.55 2wbm n GLY 224 Ca -0.12 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 2wbm n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wbm n ASN 225 N 0.49 6.85 -4.15 1.61 2.85 -1.17 -4.93 115.26 116.82 2wbm n ASN 225 Ca 0.00 -3.70 -0.30 0.00 -0.11 0.00 0.00 54.58 50.47 2wbm n ASN 225 Cb 0.00 -1.05 -0.17 0.00 1.24 0.00 0.00 39.78 39.80 2wbm n ASN 225 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wbm s VAL 226 N -4.41 1.80 0.25 3.44 0.11 -1.26 -4.26 120.40 116.07 2wbm s VAL 226 Ca 0.41 -0.85 0.10 0.00 -2.93 0.00 0.00 61.98 58.72 2wbm s VAL 226 Cb 0.22 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 2wbm s VAL 226 CO -0.15 0.50 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.41 2wbm s GLU 227 N 0.61 1.98 0.22 1.54 0.41 -0.72 -4.95 118.70 117.79 2wbm s GLU 227 Ca -0.13 -1.53 0.10 0.00 -0.41 0.00 0.00 54.97 53.00 2wbm s GLU 227 Cb -0.17 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.14 2wbm s GLU 227 CO 0.04 0.37 -0.11 0.95 -0.49 0.00 0.00 175.26 176.02 2wbm s THR 228 N -2.25 3.04 0.07 3.63 -4.23 -1.26 -0.50 115.64 114.14 2wbm s THR 228 Ca 0.29 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 2wbm s THR 228 Cb -0.06 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 2wbm s THR 228 CO 0.17 -0.23 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.79 2wbm s ARG 229 N -3.16 0.71 0.10 3.99 0.52 -0.05 -4.93 118.95 116.13 2wbm s ARG 229 Ca 0.27 -0.98 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 2wbm s ARG 229 Cb -0.07 -0.43 -0.08 0.00 0.52 0.00 0.00 34.95 34.88 2wbm s ARG 229 CO 0.16 0.07 1.45 -1.17 0.02 0.00 0.00 175.30 175.83 2wbm s LEU 230 N -2.05 4.36 -0.19 2.53 2.96 -1.26 -4.17 118.68 120.86 2wbm s LEU 230 Ca -0.01 2.36 -0.27 0.00 -0.22 0.00 0.00 54.13 55.99 2wbm s LEU 230 Cb -0.06 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 2wbm s LEU 230 CO -0.00 -0.72 0.90 -0.63 -1.32 0.00 0.00 176.35 174.58 2wbm s ILE 231 N 1.48 4.82 0.00 6.68 1.01 -1.26 -5.01 121.20 128.91 2wbm s ILE 231 Ca 0.66 1.77 0.00 0.00 0.00 0.00 0.00 60.65 63.08 2wbm s ILE 231 Cb -0.38 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 37.90 2wbm s ILE 231 CO 0.30 -0.04 0.00 2.29 0.00 0.00 0.00 174.94 177.49