#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbg s VAL 17 N 0.00 5.21 -1.60 1.39 1.01 0.05 -4.16 120.40 122.30 1wbg s VAL 17 Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 1wbg s VAL 17 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1wbg s VAL 17 CO 0.00 0.44 0.38 -0.62 0.00 0.00 0.00 175.10 175.31 1wbg n GLU 18 N 2.99 -3.66 -0.19 2.72 -0.58 -1.26 -2.74 120.64 117.92 1wbg n GLU 18 Ca -0.12 0.93 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1wbg n GLU 18 Cb 0.52 -5.68 0.00 0.00 -0.57 0.00 0.00 31.44 25.72 1wbg n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wbg n GLY 19 N -1.34 0.37 3.24 0.62 0.00 -1.26 -4.74 105.19 102.09 1wbg n GLY 19 Ca -0.16 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1wbg n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wbg s SER 20 N -1.00 1.71 0.17 1.61 0.01 -0.37 -4.91 113.70 110.92 1wbg s SER 20 Ca 0.00 -1.03 -0.34 0.00 1.31 0.00 0.00 55.95 55.90 1wbg s SER 20 Cb 0.00 0.01 -0.14 0.00 0.21 0.00 0.00 66.02 66.10 1wbg s SER 20 CO 0.00 -0.36 1.58 0.47 0.41 0.00 0.00 173.24 175.34 1wbg n ASP 21 N -0.19 3.14 -4.75 2.44 9.92 -1.26 -0.46 116.55 125.39 1wbg n ASP 21 Ca -0.10 1.09 -0.36 0.00 -0.53 0.00 0.00 54.79 54.88 1wbg n ASP 21 Cb 0.61 -1.44 0.05 0.00 -0.64 0.00 0.00 41.12 39.70 1wbg n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wbg s ALA 22 N 0.85 2.49 0.68 2.24 0.00 0.28 -4.79 121.76 123.52 1wbg s ALA 22 Ca 0.78 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.72 1wbg s ALA 22 Cb -0.66 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 18.96 1wbg s ALA 22 CO 0.38 -1.32 1.06 -1.21 0.00 0.00 0.00 175.76 174.67 1wbg s GLU 23 N -3.33 3.08 0.19 0.00 2.02 -1.26 -4.93 118.70 114.47 1wbg s GLU 23 Ca 0.79 0.80 -0.31 0.00 0.02 0.00 0.00 54.97 56.27 1wbg s GLU 23 Cb -0.33 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.78 1wbg s GLU 23 CO 0.36 -0.95 1.54 0.42 0.02 0.00 0.00 175.26 176.64 1wbg s ILE 24 N -3.13 2.61 -0.52 -1.63 -1.09 -1.26 -2.27 121.20 113.90 1wbg s ILE 24 Ca 0.57 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1wbg s ILE 24 Cb -0.13 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1wbg s ILE 24 CO 0.54 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 1wbg n GLY 25 N 3.29 0.70 0.14 6.18 0.00 -1.26 -4.89 105.19 109.34 1wbg n GLY 25 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1wbg n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1wbg h MET 26 N 0.27 0.00 -2.08 1.61 -1.53 -1.82 -3.36 114.93 108.02 1wbg h MET 26 Ca -0.10 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 55.59 1wbg h MET 26 Cb 0.57 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.23 1wbg h MET 26 CO 0.15 0.60 -1.06 0.45 0.14 0.00 0.00 176.91 177.19 1wbg n SER 27 N -3.55 0.22 0.00 1.39 2.88 -1.26 -4.97 113.62 108.33 1wbg n SER 27 Ca -0.00 -2.67 0.14 0.00 -1.33 0.00 0.00 58.87 55.01 1wbg n SER 27 Cb 0.66 -0.63 0.78 0.00 -0.75 0.00 0.00 64.21 64.28 1wbg n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1wbg n PRO 28 N 1.64 0.65 0.00 -1.46 -0.04 -1.26 -1.66 135.00 132.87 1wbg n PRO 28 Ca 0.23 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1wbg n PRO 28 Cb 0.52 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.88 1wbg n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1wbg n TRP 29 N -1.14 0.00 -2.20 0.54 2.14 -0.85 -0.80 117.44 115.12 1wbg n TRP 29 Ca 0.17 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.33 1wbg n TRP 29 Cb 0.16 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.61 1wbg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1wbg s GLN 30 N -2.10 4.36 0.01 -2.67 2.00 -0.66 -0.24 119.66 120.36 1wbg s GLN 30 Ca 0.33 2.06 0.06 0.00 -2.00 0.00 0.00 55.36 55.81 1wbg s GLN 30 Cb 0.20 -3.21 -0.02 0.00 0.80 0.00 0.00 33.01 30.78 1wbg s GLN 30 CO 0.37 -0.32 -0.19 0.08 -0.50 0.00 0.00 175.29 174.74 1wbg s VAL 31 N 0.45 1.48 -0.20 1.34 1.01 -0.58 -3.91 120.40 119.99 1wbg s VAL 31 Ca 0.59 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1wbg s VAL 31 Cb -0.37 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1wbg s VAL 31 CO 0.36 0.32 0.09 -0.32 0.00 0.00 0.00 175.10 175.54 1wbg s MET 32 N -0.69 3.99 -0.30 2.72 1.75 0.15 -2.05 119.30 124.87 1wbg s MET 32 Ca 0.07 -0.33 -0.21 0.00 -1.25 0.00 0.00 55.69 53.97 1wbg s MET 32 Cb -0.08 -3.30 -0.01 0.00 2.84 0.00 0.00 34.83 34.29 1wbg s MET 32 CO 0.00 0.20 0.68 -1.17 -0.65 0.00 0.00 175.02 174.08 1wbg s LEU 33 N 0.58 4.12 -0.10 4.11 0.20 0.20 -0.59 118.68 127.20 1wbg s LEU 33 Ca 0.05 0.54 0.04 0.00 0.69 0.00 0.00 54.13 55.44 1wbg s LEU 33 Cb -0.13 -2.90 0.00 0.00 -0.43 0.00 0.00 46.19 42.74 1wbg s LEU 33 CO 0.01 -0.50 -0.23 0.12 -0.29 0.00 0.00 176.35 175.46 1wbg s PHE 34 N 2.69 2.47 0.02 5.38 5.36 0.13 -0.58 117.98 133.45 1wbg s PHE 34 Ca 0.27 -1.05 -0.30 0.00 -0.96 0.00 0.00 56.93 54.89 1wbg s PHE 34 Cb -0.15 -1.67 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 1wbg s PHE 34 CO 0.11 -0.44 0.98 0.50 -1.46 0.00 0.00 175.22 174.91 1wbg s ARG 35 N 0.46 4.58 0.06 10.12 3.52 0.36 -0.47 118.95 137.58 1wbg s ARG 35 Ca -0.16 1.43 -0.30 0.00 -0.13 0.00 0.00 55.73 56.56 1wbg s ARG 35 Cb -0.17 -3.45 -0.18 0.00 -1.56 0.00 0.00 34.95 29.59 1wbg s ARG 35 CO 0.07 -0.01 1.58 0.87 -0.81 0.00 0.00 175.30 177.00 1wbg h LYS 36 N 6.63 -0.67 -2.96 5.12 1.57 -1.48 -3.09 116.57 121.69 1wbg h LYS 36 Ca -0.41 0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 58.13 1wbg h LYS 36 Cb 1.22 0.15 -0.35 0.00 0.08 0.00 0.00 32.23 33.33 1wbg h LYS 36 CO 0.75 -0.42 -0.61 0.45 -0.57 0.00 0.00 179.45 179.04 1wbg s SER 37 N -4.62 0.78 0.80 0.86 0.15 -1.26 -3.52 113.70 106.90 1wbg s SER 37 Ca -0.16 0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.67 1wbg s SER 37 Cb 0.04 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.79 1wbg s SER 37 CO 0.61 -0.26 1.09 -2.16 1.20 0.00 0.00 173.24 173.72 1wbg s PRO 37 N 2.32 2.08 -0.41 5.44 0.04 -1.26 -5.05 135.00 138.15 1wbg s PRO 37 Ca 0.03 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1wbg s PRO 37 Cb -0.13 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1wbg s PRO 37 CO -0.07 -1.70 1.43 -0.65 0.04 0.00 0.00 177.00 176.05 1wbg s GLN 38 N -4.99 3.55 0.02 4.56 -0.21 -1.23 -4.61 119.66 116.76 1wbg s GLN 38 Ca 0.61 0.95 -0.23 0.00 0.02 0.00 0.00 55.36 56.71 1wbg s GLN 38 Cb -0.16 -4.04 0.05 0.00 1.00 0.00 0.00 33.01 29.86 1wbg s GLN 38 CO 0.56 -1.60 0.51 -1.83 -2.12 0.00 0.00 175.29 170.81 1wbg s GLU 39 N 5.00 0.98 0.07 2.91 -1.05 -1.17 -4.98 118.70 120.47 1wbg s GLU 39 Ca 0.62 -0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.98 1wbg s GLU 39 Cb -0.14 0.45 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 1wbg s GLU 39 CO 0.33 -0.34 1.34 -1.17 0.95 0.00 0.00 175.26 176.36 1wbg s LEU 40 N -1.76 4.36 -0.25 1.83 2.96 -1.26 -0.48 118.68 124.07 1wbg s LEU 40 Ca -0.07 2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 1wbg s LEU 40 Cb -0.01 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.95 1wbg s LEU 40 CO 0.01 -0.62 -0.17 0.18 -1.32 0.00 0.00 176.35 174.44 1wbg n LEU 41 N 4.31 2.20 -3.66 -0.68 4.77 0.26 -4.89 117.00 119.31 1wbg n LEU 41 Ca 0.11 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 1wbg n LEU 41 Cb 0.44 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1wbg n LEU 41 CO 0.58 0.61 0.81 0.00 -1.33 0.00 0.00 177.39 178.06 1wbg s GLY 43 N -2.80 1.78 -0.03 0.00 0.00 0.33 -0.63 107.32 105.97 1wbg s GLY 43 Ca 0.11 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 42.94 1wbg s GLY 43 CO -0.02 -0.89 1.32 0.00 0.00 0.00 0.00 173.10 173.51 1wbg s ALA 44 N -3.51 -2.37 -0.01 3.20 0.00 -0.87 -3.37 121.76 114.84 1wbg s ALA 44 Ca 0.71 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 1wbg s ALA 44 Cb -0.04 0.50 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 1wbg s ALA 44 CO 0.49 -1.09 0.08 -1.54 0.00 0.00 0.00 175.76 173.70 1wbg s SER 45 N -3.25 0.04 -0.27 0.00 1.04 0.66 -1.53 113.70 110.39 1wbg s SER 45 Ca 0.19 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 56.25 1wbg s SER 45 Cb 0.04 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1wbg s SER 45 CO -0.03 -0.23 0.76 -0.22 0.98 0.00 0.00 173.24 174.50 1wbg s LEU 46 N -0.87 4.08 -0.00 2.42 2.96 0.67 -0.01 118.68 127.92 1wbg s LEU 46 Ca -0.10 0.82 0.13 0.00 -0.22 0.00 0.00 54.13 54.76 1wbg s LEU 46 Cb -0.06 -3.06 -0.15 0.00 0.50 0.00 0.00 46.19 43.42 1wbg s LEU 46 CO 0.00 -0.51 0.48 2.30 -1.32 0.00 0.00 176.35 177.30 1wbg n ILE 47 N 5.34 0.00 -3.42 6.68 -5.35 -0.83 -1.90 119.36 119.88 1wbg n ILE 47 Ca 0.03 -0.22 -0.05 0.00 -0.27 0.00 0.00 62.75 62.24 1wbg n ILE 47 Cb 0.48 0.84 0.02 0.00 -1.74 0.00 0.00 39.64 39.24 1wbg n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1wbg n SER 48 N -1.43 -1.22 0.00 7.28 3.41 -1.20 -4.71 113.62 115.76 1wbg n SER 48 Ca 0.01 -1.84 0.08 0.00 -0.26 0.00 0.00 58.87 56.86 1wbg n SER 48 Cb 0.22 2.02 0.36 0.00 -0.26 0.00 0.00 64.21 66.56 1wbg n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wbg n ASP 49 N -1.28 0.00 -0.07 4.04 5.75 -1.26 -3.56 116.55 120.17 1wbg n ASP 49 Ca -0.05 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1wbg n ASP 49 Cb 0.31 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1wbg n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1wbg n ARG 50 N -1.45 0.16 -5.11 0.11 1.85 -1.26 -1.15 116.66 109.80 1wbg n ARG 50 Ca 0.05 -0.63 -0.30 0.00 -1.00 0.00 0.00 57.85 55.96 1wbg n ARG 50 Cb 0.17 -0.53 -0.17 0.00 -1.05 0.00 0.00 32.46 30.89 1wbg n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1wbg s TRP 51 N -0.07 2.28 -0.08 2.89 0.52 -1.23 -0.08 118.94 123.17 1wbg s TRP 51 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 56.10 55.34 1wbg s TRP 51 Cb 0.00 -1.53 0.01 0.00 -1.15 0.00 0.00 33.47 30.80 1wbg s TRP 51 CO 0.00 -0.30 -0.18 0.08 0.02 0.00 0.00 176.95 176.57 1wbg s VAL 52 N 0.17 1.55 -0.12 4.03 1.01 -0.27 -1.98 120.40 124.80 1wbg s VAL 52 Ca -0.12 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1wbg s VAL 52 Cb -0.16 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1wbg s VAL 52 CO 0.06 0.45 0.09 -0.22 0.00 0.00 0.00 175.10 175.48 1wbg s LEU 53 N 0.47 4.10 0.00 3.92 2.96 0.98 -1.10 118.68 130.02 1wbg s LEU 53 Ca -0.15 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1wbg s LEU 53 Cb -0.16 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1wbg s LEU 53 CO 0.06 0.37 0.51 1.07 -1.32 0.00 0.00 176.35 177.03 1wbg n THR 54 N 2.22 0.00 -2.84 3.68 5.66 -0.50 -0.25 114.28 122.25 1wbg n THR 54 Ca -0.19 -1.25 -0.40 0.00 -3.05 0.00 0.00 64.05 59.16 1wbg n THR 54 Cb 0.54 0.89 -0.05 0.00 -1.55 0.00 0.00 70.33 70.16 1wbg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wbg s ALA 55 N -2.33 3.34 0.41 1.79 0.00 -1.26 -0.49 121.76 123.22 1wbg s ALA 55 Ca 0.20 0.48 0.11 0.00 0.00 0.00 0.00 51.96 52.76 1wbg s ALA 55 Cb -0.02 -3.13 0.93 0.00 0.00 0.00 0.00 23.12 20.90 1wbg s ALA 55 CO 0.15 0.12 1.96 0.00 0.00 0.00 0.00 175.76 177.99 1wbg h ALA 56 N 4.97 1.92 0.00 0.00 0.00 -1.68 -2.26 119.26 122.21 1wbg h ALA 56 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wbg h ALA 56 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wbg h ALA 56 CO 0.69 -0.06 0.00 -2.39 0.00 0.00 0.00 179.25 177.49 1wbg n HIS 57 N -4.48 0.80 0.23 0.00 1.44 -1.26 -0.99 115.22 110.95 1wbg n HIS 57 Ca 0.11 0.30 0.09 0.00 -2.01 0.00 0.00 57.72 56.21 1wbg n HIS 57 Cb 0.35 -0.98 0.53 0.00 0.12 0.00 0.00 29.99 30.01 1wbg n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wbg n LEU 59 N -3.59 1.16 -3.62 0.00 4.77 -0.16 -4.93 117.00 110.63 1wbg n LEU 59 Ca -0.01 -0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.68 1wbg n LEU 59 Cb 0.37 -0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.26 1wbg n LEU 59 CO 0.33 0.49 -0.33 -0.22 -1.33 0.00 0.00 177.39 176.33 1wbg s LEU 60 N -5.31 0.42 0.17 2.23 2.96 -0.20 -1.18 118.68 117.77 1wbg s LEU 60 Ca -0.12 -0.65 -0.11 0.00 -0.22 0.00 0.00 54.13 53.03 1wbg s LEU 60 Cb 0.04 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.46 1wbg s LEU 60 CO 0.45 -0.35 0.33 -0.47 -1.32 0.00 0.00 176.35 175.00 1wbg s TYR 60 N 2.12 0.27 0.00 5.38 5.04 -0.32 -4.10 117.35 125.72 1wbg s TYR 60 Ca 0.02 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.02 1wbg s TYR 60 Cb -0.16 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1wbg s TYR 60 CO -0.10 -0.75 0.00 -2.30 -1.34 0.00 0.00 175.55 171.06 1wbg n PRO 60 N -0.23 0.00 -0.28 4.97 -0.02 -1.26 -2.36 135.00 135.82 1wbg n PRO 60 Ca -0.08 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.47 1wbg n PRO 60 Cb 0.63 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.30 1wbg n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1wbg n TRP 60 N 0.00 0.59 -4.02 6.00 7.02 -1.26 -4.98 117.44 120.79 1wbg n TRP 60 Ca 0.00 -0.75 -0.31 0.00 -1.02 0.00 0.00 57.50 55.42 1wbg n TRP 60 Cb 0.00 -0.18 -0.00 0.00 -2.42 0.00 0.00 31.31 28.70 1wbg n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1wbg n ASP 60 N -0.33 -2.92 -4.53 -0.99 8.00 -1.18 -4.97 116.55 109.62 1wbg n ASP 60 Ca 0.16 -0.92 -0.36 0.00 0.71 0.00 0.00 54.79 54.37 1wbg n ASP 60 Cb 0.66 -3.29 -0.11 0.00 -0.02 0.00 0.00 41.12 38.36 1wbg n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1wbg s LYS 60 N -6.67 3.81 -0.49 -1.24 2.20 -0.99 -4.98 119.74 111.37 1wbg s LYS 60 Ca 0.49 -0.40 0.06 0.00 -0.36 0.00 0.00 55.97 55.76 1wbg s LYS 60 Cb -0.26 -3.39 0.23 0.00 -1.51 0.00 0.00 37.83 32.91 1wbg s LYS 60 CO 0.88 -0.07 0.86 -1.71 -0.36 0.00 0.00 175.35 174.94 1wbg n ASN 60 N 4.62 -2.95 -4.76 1.43 2.85 -1.24 -1.18 115.26 114.03 1wbg n ASN 60 Ca -0.16 -3.24 -0.41 0.00 -0.11 0.00 0.00 54.58 50.67 1wbg n ASN 60 Cb 0.52 1.78 -0.02 0.00 1.24 0.00 0.00 39.78 43.30 1wbg n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1wbg s PHE 60 N 0.70 3.13 0.52 1.20 0.08 -0.32 -5.01 117.98 118.28 1wbg s PHE 60 Ca 0.32 1.41 0.03 0.00 0.12 0.00 0.00 56.93 58.81 1wbg s PHE 60 Cb 0.19 -3.63 0.03 0.00 -0.57 0.00 0.00 43.02 39.04 1wbg s PHE 60 CO -0.22 -1.74 0.73 0.95 -0.10 0.00 0.00 175.22 174.85 1wbg s THR 60 N -0.98 2.74 0.29 0.64 -4.23 -1.26 -4.94 115.64 107.89 1wbg s THR 60 Ca 0.50 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 1wbg s THR 60 Cb -0.39 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.74 1wbg s THR 60 CO 0.50 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 176.02 1wbg h GLU 61 N 0.19 0.71 -0.00 3.99 3.07 -1.94 -1.93 114.58 118.68 1wbg h GLU 61 Ca -0.42 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1wbg h GLU 61 Cb 1.29 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1wbg h GLU 61 CO 0.50 0.47 -0.02 0.09 -1.40 0.00 0.00 179.01 178.65 1wbg n ASN 62 N -4.79 0.04 0.09 1.42 4.13 -1.26 -2.62 115.26 112.25 1wbg n ASN 62 Ca 0.21 0.16 0.13 0.00 1.68 0.00 0.00 54.58 56.76 1wbg n ASN 62 Cb 0.51 -0.37 0.45 0.00 -1.54 0.00 0.00 39.78 38.83 1wbg n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1wbg n ASP 63 N -1.39 0.62 -4.21 6.41 8.00 -0.72 -4.90 116.55 120.36 1wbg n ASP 63 Ca 0.10 0.57 -0.22 0.00 0.71 0.00 0.00 54.79 55.95 1wbg n ASP 63 Cb 0.30 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 40.53 1wbg n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wbg s LEU 64 N -4.19 2.20 0.15 0.64 1.43 -1.08 -1.19 118.68 116.64 1wbg s LEU 64 Ca 0.10 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.76 1wbg s LEU 64 Cb 0.13 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1wbg s LEU 64 CO 0.55 0.07 -0.21 -0.76 0.23 0.00 0.00 176.35 176.23 1wbg s LEU 65 N -1.36 2.38 -0.12 1.79 1.43 0.38 -4.43 118.68 118.76 1wbg s LEU 65 Ca 0.04 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.31 1wbg s LEU 65 Cb -0.09 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1wbg s LEU 65 CO 0.02 0.04 0.01 0.68 0.23 0.00 0.00 176.35 177.33 1wbg s VAL 66 N -1.61 4.38 -0.22 -1.59 -7.23 -0.68 0.19 120.40 113.64 1wbg s VAL 66 Ca 0.13 -0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1wbg s VAL 66 Cb -0.08 -2.88 0.01 0.00 0.56 0.00 0.00 36.38 33.99 1wbg s VAL 66 CO 0.06 0.56 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.21 1wbg s ARG 67 N -0.46 3.18 -0.04 4.82 0.52 0.25 -0.69 118.95 126.52 1wbg s ARG 67 Ca 0.09 -0.75 0.05 0.00 -0.52 0.00 0.00 55.73 54.60 1wbg s ARG 67 Cb -0.12 -2.92 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 1wbg s ARG 67 CO 0.02 -0.25 -0.18 0.42 0.02 0.00 0.00 175.30 175.33 1wbg s ILE 68 N 1.41 2.73 0.00 1.52 1.01 0.51 -0.67 121.20 127.70 1wbg s ILE 68 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1wbg s ILE 68 Cb -0.15 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1wbg s ILE 68 CO -0.05 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1wbg n GLY 69 N 2.38 0.68 3.90 6.18 0.00 -1.25 -0.30 105.19 116.78 1wbg n GLY 69 Ca -0.17 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1wbg n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbg s LYS 70 N -0.97 3.65 0.16 1.61 1.02 -1.26 -4.20 119.74 119.75 1wbg s LYS 70 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.13 1wbg s LYS 70 Cb 0.00 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1wbg s LYS 70 CO 0.00 0.08 0.00 1.58 -0.92 0.00 0.00 175.35 176.09 1wbg n HIS 71 N -1.30 -0.90 -1.94 3.18 -0.00 -1.26 -4.95 115.22 108.04 1wbg n HIS 71 Ca -0.00 0.16 -0.41 0.00 -0.00 0.00 0.00 57.72 57.46 1wbg n HIS 71 Cb 0.54 0.22 -0.01 0.00 -0.00 0.00 0.00 29.99 30.74 1wbg n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wbg s SER 72 N -5.56 6.55 -0.01 0.26 0.15 -1.26 -0.59 113.70 113.24 1wbg s SER 72 Ca 0.00 2.86 -0.23 0.00 0.70 0.00 0.00 55.95 59.28 1wbg s SER 72 Cb 0.00 -2.65 -0.16 0.00 -1.71 0.00 0.00 66.02 61.50 1wbg s SER 72 CO 0.00 -0.73 1.09 -0.09 1.20 0.00 0.00 173.24 174.72 1wbg h ARG 73 N 3.53 -0.38 0.00 5.44 2.43 -1.65 -3.40 114.38 120.36 1wbg h ARG 73 Ca -0.49 0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.44 1wbg h ARG 73 Cb 1.23 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 1wbg h ARG 73 CO 0.67 -0.04 -1.91 0.25 -1.51 0.00 0.00 179.97 177.44 1wbg n THR 74 N -5.09 1.30 -2.30 0.20 -2.24 -1.26 -4.97 114.28 99.92 1wbg n THR 74 Ca -0.09 -0.77 -0.37 0.00 -2.27 0.00 0.00 64.05 60.55 1wbg n THR 74 Cb 0.27 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 1wbg n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1wbg s ARG 75 N -2.71 3.81 -0.34 -0.78 3.00 -1.26 -4.99 118.95 115.67 1wbg s ARG 75 Ca -0.06 1.74 -0.28 0.00 0.00 0.00 0.00 55.73 57.12 1wbg s ARG 75 Cb 0.08 -2.42 0.02 0.00 0.00 0.00 0.00 34.95 32.63 1wbg s ARG 75 CO 0.83 -0.50 1.05 -0.47 0.00 0.00 0.00 175.30 176.21 1wbg s TYR 76 N -1.57 3.11 -1.14 -0.53 5.04 -1.26 -4.91 117.35 116.09 1wbg s TYR 76 Ca 0.63 1.07 -0.12 0.00 -2.44 0.00 0.00 57.07 56.21 1wbg s TYR 76 Cb -0.28 -3.74 0.22 0.00 0.35 0.00 0.00 41.96 38.51 1wbg s TYR 76 CO 0.34 -0.82 1.25 -1.21 -1.34 0.00 0.00 175.55 173.77 1wbg s GLU 77 N 3.68 4.11 0.33 4.97 2.02 -1.26 -4.99 118.70 127.57 1wbg s GLU 77 Ca 0.44 -2.85 -0.29 0.00 0.02 0.00 0.00 54.97 52.30 1wbg s GLU 77 Cb -0.12 -4.80 -0.12 0.00 0.10 0.00 0.00 34.13 29.19 1wbg s GLU 77 CO 0.17 -1.51 1.42 -2.13 0.02 0.00 0.00 175.26 173.23 1wbg n ARG 77 N 4.27 2.39 -0.23 1.61 0.63 -1.26 -1.13 116.66 122.94 1wbg n ARG 77 Ca 0.30 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 58.07 1wbg n ARG 77 Cb 0.41 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.81 1wbg n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wbg n ASN 78 N 1.05 0.00 0.02 6.15 5.03 -1.26 -4.75 115.26 121.51 1wbg n ASN 78 Ca 0.05 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.49 1wbg n ASN 78 Cb 0.36 -0.75 -0.00 0.00 -1.02 0.00 0.00 39.78 38.37 1wbg n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1wbg n ILE 79 N -2.00 0.86 -2.19 2.41 5.41 -0.63 -5.05 119.36 118.17 1wbg n ILE 79 Ca 0.00 0.27 -0.33 0.00 1.00 0.00 0.00 62.75 63.69 1wbg n ILE 79 Cb 0.00 -1.50 -0.01 0.00 -0.71 0.00 0.00 39.64 37.43 1wbg n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1wbg s GLU 80 N -1.76 3.52 -0.04 0.38 -1.05 -0.28 -4.80 118.70 114.66 1wbg s GLU 80 Ca -0.03 1.18 0.05 0.00 -0.15 0.00 0.00 54.97 56.02 1wbg s GLU 80 Cb 0.00 -2.06 -0.01 0.00 -0.44 0.00 0.00 34.13 31.63 1wbg s GLU 80 CO 0.04 -0.65 -0.19 0.15 0.95 0.00 0.00 175.26 175.57 1wbg s LYS 81 N -3.95 1.93 -0.24 -4.83 -0.14 0.59 -4.88 119.74 108.22 1wbg s LYS 81 Ca 0.63 -0.68 -0.06 0.00 -1.36 0.00 0.00 55.97 54.50 1wbg s LYS 81 Cb -0.15 -1.68 -0.02 0.00 -1.68 0.00 0.00 37.83 34.30 1wbg s LYS 81 CO 0.33 0.29 0.02 0.42 -0.76 0.00 0.00 175.35 175.66 1wbg s ILE 82 N -0.06 3.91 0.10 2.17 1.01 -1.26 -0.36 121.20 126.71 1wbg s ILE 82 Ca -0.02 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1wbg s ILE 82 Cb -0.12 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1wbg s ILE 82 CO 0.02 0.37 -0.16 -0.44 0.00 0.00 0.00 174.94 174.73 1wbg s SER 83 N 1.56 4.00 0.39 3.58 0.01 0.13 -4.98 113.70 118.38 1wbg s SER 83 Ca 0.06 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1wbg s SER 83 Cb -0.15 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.44 1wbg s SER 83 CO 0.01 0.19 0.58 -0.04 0.41 0.00 0.00 173.24 174.39 1wbg s MET 84 N -2.07 3.23 -0.18 12.44 -1.94 -1.26 -1.68 119.30 127.84 1wbg s MET 84 Ca 0.18 -0.53 -0.08 0.00 -1.71 0.00 0.00 55.69 53.55 1wbg s MET 84 Cb -0.11 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 1wbg s MET 84 CO 0.10 -0.04 0.09 -0.51 -0.01 0.00 0.00 175.02 174.65 1wbg s LEU 85 N -4.39 4.01 -0.07 -0.03 1.43 -1.26 -1.68 118.68 116.69 1wbg s LEU 85 Ca 0.44 0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.46 1wbg s LEU 85 Cb -0.10 -2.01 -0.24 0.00 0.03 0.00 0.00 46.19 43.87 1wbg s LEU 85 CO 0.36 0.21 0.99 -0.08 0.23 0.00 0.00 176.35 178.06 1wbg h GLU 86 N 6.41 0.09 -2.42 1.70 4.81 -0.59 -3.44 114.58 121.15 1wbg h GLU 86 Ca -0.41 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 1wbg h GLU 86 Cb 1.17 0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.34 1wbg h GLU 86 CO 0.70 0.87 -0.12 0.21 -0.73 0.00 0.00 179.01 179.95 1wbg s LYS 87 N -3.02 0.59 -0.05 1.92 2.47 -1.11 -4.98 119.74 115.55 1wbg s LYS 87 Ca -0.17 0.83 -0.16 0.00 -1.56 0.00 0.00 55.97 54.92 1wbg s LYS 87 Cb -0.00 0.20 -0.05 0.00 -1.46 0.00 0.00 37.83 36.52 1wbg s LYS 87 CO 0.71 -0.11 0.42 0.42 0.16 0.00 0.00 175.35 176.96 1wbg s ILE 88 N 0.77 5.10 -0.17 5.43 1.01 -1.26 -0.82 121.20 131.25 1wbg s ILE 88 Ca -0.04 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1wbg s ILE 88 Cb -0.05 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.72 1wbg s ILE 88 CO -0.06 0.49 -0.10 -0.31 0.00 0.00 0.00 174.94 174.96 1wbg s TYR 89 N -0.43 2.10 -0.15 3.97 2.02 0.41 -5.01 117.35 120.26 1wbg s TYR 89 Ca 0.24 -1.31 -0.09 0.00 -0.37 0.00 0.00 57.07 55.53 1wbg s TYR 89 Cb -0.16 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1wbg s TYR 89 CO 0.12 -0.68 0.17 0.42 -1.57 0.00 0.00 175.55 174.01 1wbg s ILE 90 N 1.50 5.42 0.02 2.71 -1.09 -1.26 -0.94 121.20 127.56 1wbg s ILE 90 Ca 0.01 0.28 -0.38 0.00 -2.23 0.00 0.00 60.65 58.33 1wbg s ILE 90 Cb -0.15 -3.47 -0.17 0.00 -1.58 0.00 0.00 42.46 37.09 1wbg s ILE 90 CO -0.09 0.52 1.40 1.57 -1.23 0.00 0.00 174.94 177.12 1wbg n HIS 91 N 2.74 1.56 0.28 3.97 -0.00 -1.06 -4.79 115.22 117.92 1wbg n HIS 91 Ca -0.17 0.64 0.18 0.00 0.46 0.00 0.00 57.72 58.83 1wbg n HIS 91 Cb 0.53 -2.34 0.91 0.00 -0.12 0.00 0.00 29.99 28.97 1wbg n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1wbg h PRO 92 N 4.94 0.00 -0.15 1.57 0.13 -1.95 -2.51 132.00 134.03 1wbg h PRO 92 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1wbg h PRO 92 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1wbg h PRO 92 CO 0.80 0.00 -0.03 0.54 -0.23 0.00 0.00 178.00 179.08 1wbg n ARG 93 N -2.76 2.09 -1.68 0.86 1.74 -1.26 -5.00 116.66 110.65 1wbg n ARG 93 Ca -0.02 -2.80 -0.46 0.00 -0.77 0.00 0.00 57.85 53.80 1wbg n ARG 93 Cb 0.10 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.81 1wbg n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1wbg n TYR 94 N -0.98 2.37 -3.32 -1.55 9.36 -0.95 -4.67 117.16 117.43 1wbg n TYR 94 Ca 0.20 0.02 -0.45 0.00 3.32 0.00 0.00 57.90 60.99 1wbg n TYR 94 Cb 0.80 -2.65 -0.01 0.00 -0.63 0.00 0.00 39.34 36.85 1wbg n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1wbg s ASN 95 N 2.94 7.17 0.46 2.98 3.84 0.86 -4.83 114.94 128.37 1wbg s ASN 95 Ca 0.87 -3.34 0.28 0.00 0.21 0.00 0.00 52.86 50.87 1wbg s ASN 95 Cb -0.64 -2.22 0.84 0.00 -0.55 0.00 0.00 41.25 38.68 1wbg s ASN 95 CO 0.45 -0.38 1.78 4.11 -2.79 0.00 0.00 177.10 180.27 1wbg h TRP 96 N 6.98 0.00 -0.59 0.43 5.08 -1.92 0.33 115.95 126.26 1wbg h TRP 96 Ca 0.17 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.05 1wbg h TRP 96 Cb 0.92 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.06 1wbg h TRP 96 CO 0.84 0.00 0.01 0.00 -1.28 0.00 0.00 178.44 178.02 1wbg h ARG 97 N 0.00 1.03 0.00 0.12 3.08 -1.99 -3.44 114.38 113.18 1wbg h ARG 97 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1wbg h ARG 97 Cb 0.74 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1wbg h ARG 97 CO 0.00 1.01 0.00 -1.91 -1.07 0.00 0.00 179.97 178.00 1wbg n GLU 97 N -4.23 0.00 -0.11 0.04 2.13 -1.24 -5.00 120.64 112.24 1wbg n GLU 97 Ca 0.03 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.86 1wbg n GLU 97 Cb 0.33 -0.13 0.02 0.00 0.27 0.00 0.00 31.44 31.93 1wbg n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1wbg n ASN 98 N -2.00 0.90 -2.53 4.31 6.94 -1.21 -5.00 115.26 116.68 1wbg n ASN 98 Ca 0.00 -1.78 -0.20 0.00 -0.02 0.00 0.00 54.58 52.58 1wbg n ASN 98 Cb 0.00 -0.10 -0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1wbg n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1wbg n LEU 99 N -0.35 -1.95 -4.70 -4.53 4.77 0.10 -4.95 117.00 105.39 1wbg n LEU 99 Ca 0.02 -0.04 -0.44 0.00 -0.03 0.00 0.00 56.01 55.53 1wbg n LEU 99 Cb 0.49 -2.83 -0.03 0.00 -2.33 0.00 0.00 43.42 38.73 1wbg n LEU 99 CO 0.00 -0.12 1.14 -0.67 -1.33 0.00 0.00 177.39 176.41 1wbg n ASP 100 N -2.08 3.27 -3.21 -1.43 2.03 -1.24 -2.59 116.55 111.30 1wbg n ASP 100 Ca -0.21 1.13 -0.15 0.00 0.52 0.00 0.00 54.79 56.08 1wbg n ASP 100 Cb 0.66 -1.49 0.08 0.00 -0.72 0.00 0.00 41.12 39.65 1wbg n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wbg n ARG 101 N 2.41 -5.54 -2.69 -0.67 1.74 -1.26 -0.10 116.66 110.56 1wbg n ARG 101 Ca 0.12 0.78 -0.43 0.00 -0.77 0.00 0.00 57.85 57.55 1wbg n ARG 101 Cb 0.33 -5.57 -0.00 0.00 -1.02 0.00 0.00 32.46 26.20 1wbg n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wbg s ASP 102 N -4.13 6.87 -0.08 0.55 2.15 -1.07 -4.21 116.67 116.75 1wbg s ASP 102 Ca 0.06 -2.50 -0.12 0.00 0.43 0.00 0.00 52.55 50.42 1wbg s ASP 102 Cb -0.01 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1wbg s ASP 102 CO 0.67 -1.08 0.31 -0.51 -0.17 0.00 0.00 175.17 174.39 1wbg s ILE 103 N 3.52 0.02 -0.00 4.11 2.07 -1.26 -3.84 121.20 125.82 1wbg s ILE 103 Ca 0.49 -0.17 -0.19 0.00 -1.41 0.00 0.00 60.65 59.38 1wbg s ILE 103 Cb 0.01 -0.51 0.03 0.00 0.13 0.00 0.00 42.46 42.13 1wbg s ILE 103 CO 0.04 -0.09 0.40 0.00 -1.91 0.00 0.00 174.94 173.38 1wbg s ALA 104 N -0.35 -1.01 0.12 1.50 0.00 0.36 -2.57 121.76 119.80 1wbg s ALA 104 Ca -0.05 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.48 1wbg s ALA 104 Cb -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1wbg s ALA 104 CO 0.02 -0.34 -0.20 -0.51 0.00 0.00 0.00 175.76 174.72 1wbg s LEU 105 N -1.54 2.62 -0.10 0.00 1.43 -0.12 -1.41 118.68 119.56 1wbg s LEU 105 Ca -0.10 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1wbg s LEU 105 Cb -0.03 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.74 1wbg s LEU 105 CO 0.03 0.18 -0.06 -0.04 0.23 0.00 0.00 176.35 176.69 1wbg s MET 106 N -2.13 1.30 -0.12 1.70 -1.94 -0.26 -0.44 119.30 117.42 1wbg s MET 106 Ca 0.17 -0.17 -0.19 0.00 -1.71 0.00 0.00 55.69 53.79 1wbg s MET 106 Cb -0.10 -1.41 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 1wbg s MET 106 CO 0.09 -0.26 0.51 0.21 -0.01 0.00 0.00 175.02 175.56 1wbg s LYS 107 N 1.70 4.34 0.39 2.03 2.20 0.00 -1.12 119.74 129.28 1wbg s LYS 107 Ca 0.04 0.50 -0.19 0.00 -0.36 0.00 0.00 55.97 55.95 1wbg s LYS 107 Cb -0.13 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.65 1wbg s LYS 107 CO -0.07 0.13 0.87 -0.51 -0.36 0.00 0.00 175.35 175.41 1wbg s LEU 108 N 0.70 4.00 0.17 5.43 1.43 0.88 0.05 118.68 131.35 1wbg s LEU 108 Ca 0.27 1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 54.78 1wbg s LEU 108 Cb -0.15 -4.35 0.09 0.00 0.03 0.00 0.00 46.19 41.81 1wbg s LEU 108 CO 0.11 -0.29 1.81 0.11 0.23 0.00 0.00 176.35 178.32 1wbg h LYS 109 N 2.08 0.57 -5.24 1.70 1.57 -1.60 -3.40 116.57 112.24 1wbg h LYS 109 Ca -0.49 -0.03 -0.42 0.00 -1.87 0.00 0.00 60.65 57.84 1wbg h LYS 109 Cb 1.18 -0.13 -0.24 0.00 0.08 0.00 0.00 32.23 33.13 1wbg h LYS 109 CO 0.63 0.37 -0.78 0.15 -0.57 0.00 0.00 179.45 179.25 1wbg s LYS 110 N -6.14 0.85 0.25 3.15 1.02 -1.26 -4.95 119.74 112.66 1wbg s LYS 110 Ca -0.13 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 54.75 1wbg s LYS 110 Cb 0.13 -0.84 -0.13 0.00 -0.52 0.00 0.00 37.83 36.46 1wbg s LYS 110 CO 0.74 0.20 1.39 -2.30 -0.92 0.00 0.00 175.35 174.46 1wbg n PRO 111 N 1.71 2.02 -3.16 -1.68 -0.02 -1.26 -4.87 135.00 127.74 1wbg n PRO 111 Ca -0.19 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 1wbg n PRO 111 Cb 0.55 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1wbg n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wbg s VAL 112 N -0.16 4.66 -0.01 -1.45 0.11 -0.30 -5.01 120.40 118.24 1wbg s VAL 112 Ca 0.67 1.06 -0.27 0.00 -2.93 0.00 0.00 61.98 60.51 1wbg s VAL 112 Cb -0.64 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.43 1wbg s VAL 112 CO 0.51 0.04 0.87 0.00 -3.33 0.00 0.00 175.10 173.19 1wbg s ALA 113 N -1.72 3.24 0.59 1.54 0.00 -1.26 -4.85 121.76 119.31 1wbg s ALA 113 Ca 0.47 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 1wbg s ALA 113 Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1wbg s ALA 113 CO 0.19 -0.14 1.05 -0.06 0.00 0.00 0.00 175.76 176.80 1wbg s PHE 114 N 0.75 3.02 0.09 0.00 0.08 -1.26 -4.89 117.98 115.77 1wbg s PHE 114 Ca 0.46 1.51 -0.03 0.00 0.12 0.00 0.00 56.93 58.98 1wbg s PHE 114 Cb -0.20 -2.99 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 1wbg s PHE 114 CO 0.25 -1.08 0.18 -1.13 -0.10 0.00 0.00 175.22 173.33 1wbg n SER 115 N -2.04 -0.51 0.28 1.36 3.41 -0.59 -4.96 113.62 110.57 1wbg n SER 115 Ca 0.09 -1.40 0.16 0.00 -0.26 0.00 0.00 58.87 57.45 1wbg n SER 115 Cb 0.53 0.86 0.92 0.00 -0.26 0.00 0.00 64.21 66.26 1wbg n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1wbg h ASP 116 N 0.48 0.00 -0.00 4.04 3.32 -1.98 -3.18 116.42 119.09 1wbg h ASP 116 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1wbg h ASP 116 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1wbg h ASP 116 CO 0.10 0.00 -0.62 -1.22 -1.72 0.00 0.00 179.24 175.78 1wbg n TYR 117 N -3.77 0.00 -3.81 4.55 4.01 -1.26 -4.73 117.16 112.15 1wbg n TYR 117 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 1wbg n TYR 117 Cb 0.14 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.01 1wbg n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wbg s ILE 118 N -2.25 0.75 -0.28 -0.72 1.01 -1.20 -4.14 121.20 114.36 1wbg s ILE 118 Ca 0.06 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 1wbg s ILE 118 Cb 0.11 -1.04 0.11 0.00 0.01 0.00 0.00 42.46 41.64 1wbg s ILE 118 CO 0.55 0.03 0.91 -2.28 0.00 0.00 0.00 174.94 174.15 1wbg s HIS 119 N 1.78 -0.64 0.50 3.97 2.46 0.02 -1.54 115.29 121.83 1wbg s HIS 119 Ca 0.01 1.45 -0.20 0.00 0.47 0.00 0.00 55.06 56.78 1wbg s HIS 119 Cb -0.15 0.38 -0.08 0.00 -0.13 0.00 0.00 32.58 32.60 1wbg s HIS 119 CO -0.07 -0.31 1.08 -1.25 -2.47 0.00 0.00 174.74 171.71 1wbg s PRO 120 N 0.68 3.67 0.34 2.88 0.04 -1.26 -2.01 135.00 139.34 1wbg s PRO 120 Ca -0.02 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.45 1wbg s PRO 120 Cb -0.05 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1wbg s PRO 120 CO -0.08 -0.56 0.61 0.54 0.04 0.00 0.00 177.00 177.55 1wbg s VAL 121 N -1.87 4.99 0.40 -0.36 0.11 -0.80 -4.90 120.40 117.98 1wbg s VAL 121 Ca 0.68 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.60 1wbg s VAL 121 Cb -0.20 -3.77 -0.10 0.00 -1.53 0.00 0.00 36.38 30.77 1wbg s VAL 121 CO 0.23 -0.46 0.88 0.00 -3.33 0.00 0.00 175.10 172.42 1wbg s LEU 123 N -3.13 4.41 0.61 0.00 1.43 -1.26 -0.52 118.68 120.22 1wbg s LEU 123 Ca 0.60 0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.24 1wbg s LEU 123 Cb -0.09 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1wbg s LEU 123 CO 0.14 0.32 1.11 -2.16 0.23 0.00 0.00 176.35 175.99 1wbg s PRO 124 N -0.82 3.05 0.49 1.29 0.04 -1.26 -4.92 135.00 132.87 1wbg s PRO 124 Ca 0.19 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1wbg s PRO 124 Cb -0.14 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1wbg s PRO 124 CO 0.08 -1.06 0.69 0.16 0.04 0.00 0.00 177.00 176.92 1wbg s ASP 125 N -2.37 5.52 0.27 6.66 1.47 -1.26 -4.88 116.67 122.07 1wbg s ASP 125 Ca 0.68 -0.01 0.00 0.00 1.18 0.00 0.00 52.55 54.40 1wbg s ASP 125 Cb -0.21 -1.03 0.60 0.00 -0.34 0.00 0.00 42.92 41.95 1wbg s ASP 125 CO 0.36 -0.92 1.71 -0.09 0.68 0.00 0.00 175.17 176.91 1wbg h ARG 126 N 0.30 0.40 -0.01 2.11 2.43 -1.97 -2.55 114.38 115.09 1wbg h ARG 126 Ca -0.43 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.51 1wbg h ARG 126 Cb 1.28 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1wbg h ARG 126 CO 0.52 0.26 -0.89 0.93 -1.51 0.00 0.00 179.97 179.29 1wbg h GLU 127 N 0.41 0.32 -0.98 0.20 3.07 -2.04 -0.28 114.58 115.29 1wbg h GLU 127 Ca 0.49 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1wbg h GLU 127 Cb 0.86 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1wbg h GLU 127 CO -0.48 1.03 0.00 2.41 -1.40 0.00 0.00 179.01 180.56 1wbg n THR 128 N -3.72 0.21 0.00 1.13 -1.04 -0.96 -1.95 114.28 107.94 1wbg n THR 128 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1wbg n THR 128 Cb 0.81 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1wbg n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wbg n ALA 129 N 0.52 0.00 0.03 2.41 0.00 -0.12 -1.23 120.51 122.13 1wbg n ALA 129 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1wbg n ALA 129 Cb 0.16 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.67 1wbg n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wbg h SER 129 N 0.00 0.54 0.31 0.00 4.64 -1.66 -3.35 113.55 114.04 1wbg h SER 129 Ca 0.00 -0.31 -0.11 0.00 -0.47 0.00 0.00 61.79 60.90 1wbg h SER 129 Cb 0.00 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1wbg h SER 129 CO 0.00 1.01 -1.79 0.18 -0.87 0.00 0.00 176.83 175.36 1wbg n LEU 129 N -3.93 0.33 -3.91 5.97 4.77 -0.36 -4.63 117.00 115.23 1wbg n LEU 129 Ca -0.03 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1wbg n LEU 129 Cb 0.63 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1wbg n LEU 129 CO 0.47 0.11 2.21 0.18 -1.33 0.00 0.00 177.39 179.02 1wbg n LEU 130 N -2.57 6.50 -4.13 2.23 4.77 -1.26 -4.83 117.00 117.71 1wbg n LEU 130 Ca -0.11 -4.37 -0.21 0.00 -0.03 0.00 0.00 56.01 51.29 1wbg n LEU 130 Cb 0.75 -1.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.12 1wbg n LEU 130 CO 0.44 1.13 -0.47 -1.10 -1.33 0.00 0.00 177.39 176.05 1wbg s GLN 131 N 1.90 1.05 0.18 3.23 -0.21 -1.26 -4.98 119.66 119.58 1wbg s GLN 131 Ca 0.44 -0.66 -0.33 0.00 0.02 0.00 0.00 55.36 54.84 1wbg s GLN 131 Cb 0.10 -1.05 -0.15 0.00 1.00 0.00 0.00 33.01 32.92 1wbg s GLN 131 CO -0.03 0.27 1.32 0.00 -2.12 0.00 0.00 175.29 174.74 1wbg n ALA 132 N 2.26 0.13 0.00 6.09 0.00 -1.26 -1.29 120.51 126.44 1wbg n ALA 132 Ca -0.16 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1wbg n ALA 132 Cb 0.55 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1wbg n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wbg n GLY 133 N 2.29 2.97 3.75 0.00 0.00 -0.44 -4.97 105.19 108.77 1wbg n GLY 133 Ca 0.14 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1wbg n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wbg s TYR 134 N -1.28 3.23 -0.14 1.61 1.51 -0.41 -4.56 117.35 117.32 1wbg s TYR 134 Ca 0.00 1.30 -0.08 0.00 -1.01 0.00 0.00 57.07 57.28 1wbg s TYR 134 Cb 0.00 -3.60 -0.04 0.00 -0.11 0.00 0.00 41.96 38.21 1wbg s TYR 134 CO 0.00 -1.78 0.14 0.15 -1.11 0.00 0.00 175.55 172.95 1wbg s LYS 135 N -0.62 3.66 0.20 -0.62 1.02 -1.26 -0.62 119.74 121.51 1wbg s LYS 135 Ca 0.54 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.40 1wbg s LYS 135 Cb -0.37 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 1wbg s LYS 135 CO 0.42 0.64 0.12 0.41 -0.92 0.00 0.00 175.35 176.02 1wbg n GLY 136 N 2.40 3.17 2.95 -3.33 0.00 0.48 -4.86 105.19 106.00 1wbg n GLY 136 Ca -0.19 -2.23 -0.18 0.00 0.00 0.00 0.00 46.02 43.43 1wbg n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wbg s ARG 137 N -2.82 0.60 -0.04 1.61 3.52 0.85 -0.90 118.95 121.78 1wbg s ARG 137 Ca 0.09 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.56 1wbg s ARG 137 Cb -0.01 -0.60 -0.01 0.00 -1.56 0.00 0.00 34.95 32.77 1wbg s ARG 137 CO 0.06 0.07 -0.22 0.08 -0.81 0.00 0.00 175.30 174.48 1wbg s VAL 138 N 0.19 1.77 0.04 7.11 1.01 0.85 -0.91 120.40 130.45 1wbg s VAL 138 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1wbg s VAL 138 Cb -0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1wbg s VAL 138 CO -0.00 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 175.89 1wbg s THR 139 N -0.16 0.96 0.00 3.92 -4.23 -1.25 -0.81 115.64 114.07 1wbg s THR 139 Ca -0.01 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1wbg s THR 139 Cb -0.12 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1wbg s THR 139 CO 0.02 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1wbg n GLY 140 N 1.88 -0.04 1.42 3.99 0.00 -0.84 -4.52 105.19 107.07 1wbg n GLY 140 Ca -0.18 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 44.93 1wbg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wbg n TRP 141 N -0.26 1.50 -1.50 1.61 8.01 -1.26 -2.22 117.44 123.32 1wbg n TRP 141 Ca 0.00 -0.75 -0.30 0.00 -1.31 0.00 0.00 57.50 55.14 1wbg n TRP 141 Cb 0.00 -0.37 0.21 0.00 -2.01 0.00 0.00 31.31 29.13 1wbg n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1wbg s GLY 142 N -1.24 1.67 0.67 6.99 0.00 -1.26 -4.62 107.32 109.53 1wbg s GLY 142 Ca 0.48 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.01 1wbg s GLY 142 CO 0.15 -0.21 1.16 0.70 0.00 0.00 0.00 173.10 174.89 1wbg n ASN 143 N -4.23 1.41 -0.13 1.64 5.03 0.19 -2.84 115.26 116.33 1wbg n ASN 143 Ca 0.13 0.77 0.13 0.00 0.87 0.00 0.00 54.58 56.48 1wbg n ASN 143 Cb 0.59 -1.49 0.35 0.00 -1.02 0.00 0.00 39.78 38.21 1wbg n ASN 143 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1wbg n LEU 144 N -1.79 0.74 -3.67 3.41 4.77 -0.23 -1.23 117.00 119.00 1wbg n LEU 144 Ca 0.15 -0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 1wbg n LEU 144 Cb 0.48 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1wbg n LEU 144 CO 0.48 0.15 0.21 -0.54 -1.33 0.00 0.00 177.39 176.36 1wbg s LYS 145 N -2.72 0.72 0.00 3.23 1.02 -1.26 -4.35 119.74 116.39 1wbg s LYS 145 Ca 0.19 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1wbg s LYS 145 Cb 0.19 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.84 1wbg s LYS 145 CO 0.59 -0.16 0.00 -1.91 -0.92 0.00 0.00 175.35 172.95 1wbg n GLU 146 N 1.96 0.00 0.05 1.68 2.13 -1.26 -4.93 120.64 120.27 1wbg n GLU 146 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1wbg n GLU 146 Cb 0.56 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 31.26 1wbg n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wbg n GLY 150 N 0.53 -0.07 3.35 8.31 0.00 -1.26 -5.05 105.19 111.00 1wbg n GLY 150 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wbg n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wbg s GLN 151 N -2.00 1.54 0.36 1.61 -0.21 -1.26 -1.07 119.66 118.64 1wbg s GLN 151 Ca 0.00 -1.19 -0.17 0.00 0.02 0.00 0.00 55.36 54.01 1wbg s GLN 151 Cb 0.00 -1.85 -0.10 0.00 1.00 0.00 0.00 33.01 32.06 1wbg s GLN 151 CO 0.00 0.46 0.82 -1.25 -2.12 0.00 0.00 175.29 173.20 1wbg s PRO 152 N -1.61 4.09 0.11 2.91 0.04 -1.26 -4.96 135.00 134.32 1wbg s PRO 152 Ca 0.12 0.84 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 1wbg s PRO 152 Cb -0.10 -2.34 -0.13 0.00 0.04 0.00 0.00 34.50 31.97 1wbg s PRO 152 CO 0.04 0.09 1.34 1.03 0.04 0.00 0.00 177.00 179.54 1wbg h SER 153 N 2.14 0.94 -3.60 6.66 0.87 -1.98 -3.43 113.55 115.15 1wbg h SER 153 Ca -0.48 -0.59 -0.42 0.00 -1.23 0.00 0.00 61.79 59.07 1wbg h SER 153 Cb 1.18 -0.27 -0.14 0.00 -0.44 0.00 0.00 62.40 62.72 1wbg h SER 153 CO 0.64 1.37 -0.64 0.68 -0.53 0.00 0.00 176.83 178.34 1wbg s VAL 154 N -3.91 1.12 0.18 2.23 -7.23 -1.26 -1.89 120.40 109.64 1wbg s VAL 154 Ca -0.11 -2.03 -0.33 0.00 -1.81 0.00 0.00 61.98 57.70 1wbg s VAL 154 Cb 0.09 -2.53 -0.15 0.00 0.56 0.00 0.00 36.38 34.34 1wbg s VAL 154 CO 0.89 -0.19 1.23 -0.11 -0.31 0.00 0.00 175.10 176.62 1wbg n LEU 155 N -0.53 1.88 -4.76 1.32 7.94 0.24 -4.82 117.00 118.27 1wbg n LEU 155 Ca -0.04 1.14 -0.26 0.00 -1.11 0.00 0.00 56.01 55.75 1wbg n LEU 155 Cb 0.65 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.28 1wbg n LEU 155 CO 0.39 -1.10 -0.24 -1.10 -1.11 0.00 0.00 177.39 174.23 1wbg s GLN 156 N -0.28 2.76 0.00 1.96 -1.52 -0.94 -0.55 119.66 121.08 1wbg s GLN 156 Ca 0.73 -0.98 0.00 0.00 -1.95 0.00 0.00 55.36 53.17 1wbg s GLN 156 Cb -0.82 -2.54 -0.00 0.00 -0.22 0.00 0.00 33.01 29.43 1wbg s GLN 156 CO 0.51 0.46 -0.02 0.54 -0.25 0.00 0.00 175.29 176.53 1wbg s VAL 157 N -1.83 0.14 -0.15 1.09 0.11 0.39 -1.99 120.40 118.15 1wbg s VAL 157 Ca 0.30 -0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 1wbg s VAL 157 Cb -0.09 -0.15 0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1wbg s VAL 157 CO 0.22 -0.06 0.40 0.54 -3.33 0.00 0.00 175.10 172.87 1wbg s VAL 158 N -0.30 0.00 -0.22 2.04 0.11 0.00 -1.23 120.40 120.80 1wbg s VAL 158 Ca -0.02 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1wbg s VAL 158 Cb -0.02 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 1wbg s VAL 158 CO -0.00 -0.01 0.17 0.20 -3.33 0.00 0.00 175.10 172.13 1wbg s ASN 159 N 0.16 6.17 0.03 3.54 0.01 -1.26 -0.11 114.94 123.49 1wbg s ASN 159 Ca -0.00 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.36 1wbg s ASN 159 Cb -0.03 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 1wbg s ASN 159 CO 0.01 0.09 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.82 1wbg s LEU 160 N 0.86 2.17 0.21 0.60 1.43 -0.08 -4.95 118.68 118.93 1wbg s LEU 160 Ca 0.09 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1wbg s LEU 160 Cb -0.13 -0.43 -0.08 0.00 0.03 0.00 0.00 46.19 45.58 1wbg s LEU 160 CO 0.03 -0.03 0.90 -2.16 0.23 0.00 0.00 176.35 175.32 1wbg s PRO 161 N -1.09 4.78 0.43 1.29 0.04 -1.26 -0.38 135.00 138.80 1wbg s PRO 161 Ca -0.02 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 1wbg s PRO 161 Cb -0.07 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1wbg s PRO 161 CO 0.01 0.51 1.42 0.42 0.04 0.00 0.00 177.00 179.39 1wbg s ILE 162 N -1.07 2.15 0.03 0.56 1.01 0.21 -0.98 121.20 123.11 1wbg s ILE 162 Ca 0.40 0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.23 1wbg s ILE 162 Cb -0.25 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1wbg s ILE 162 CO 0.30 0.02 -0.09 -0.69 0.00 0.00 0.00 174.94 174.48 1wbg s VAL 163 N -1.19 3.44 0.30 2.92 1.01 -0.41 -1.33 120.40 125.13 1wbg s VAL 163 Ca 0.59 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1wbg s VAL 163 Cb -0.43 -2.51 -0.13 0.00 0.00 0.00 0.00 36.38 33.30 1wbg s VAL 163 CO 0.57 0.32 1.15 -0.62 0.00 0.00 0.00 175.10 176.52 1wbg n GLU 164 N 1.37 1.67 -0.16 2.72 4.71 -1.26 -4.66 120.64 125.03 1wbg n GLU 164 Ca -0.15 0.58 -0.06 0.00 -0.01 0.00 0.00 57.16 57.52 1wbg n GLU 164 Cb 0.52 -2.06 0.03 0.00 -1.01 0.00 0.00 31.44 28.93 1wbg n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wbg h ARG 165 N 2.43 0.54 -0.87 3.49 3.08 -1.98 -1.86 114.38 119.21 1wbg h ARG 165 Ca -0.42 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.62 1wbg h ARG 165 Cb 1.32 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1wbg h ARG 165 CO 0.63 0.36 0.57 -1.35 -1.07 0.00 0.00 179.97 179.11 1wbg h PRO 166 N 0.56 1.08 -0.67 0.04 0.11 -1.99 -1.38 132.00 129.74 1wbg h PRO 166 Ca 0.19 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1wbg h PRO 166 Cb 0.02 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 1wbg h PRO 166 CO -0.09 0.71 0.19 0.28 -0.21 0.00 0.00 178.00 178.88 1wbg h VAL 167 N 1.11 1.25 -0.09 3.15 2.07 -1.75 -0.99 116.25 121.01 1wbg h VAL 167 Ca 0.34 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1wbg h VAL 167 Cb -0.02 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1wbg h VAL 167 CO -0.09 0.34 -0.12 0.00 0.02 0.00 0.00 177.57 177.72 1wbg h LYS 169 N -0.16 1.16 0.00 0.00 1.57 -1.11 -2.64 116.57 115.39 1wbg h LYS 169 Ca 0.07 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1wbg h LYS 169 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1wbg h LYS 169 CO -0.19 0.92 0.00 -0.25 -0.57 0.00 0.00 179.45 179.37 1wbg n ASP 170 N -4.32 0.00 0.00 0.86 8.00 -0.40 -2.93 116.55 117.76 1wbg n ASP 170 Ca 0.07 -0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.53 1wbg n ASP 170 Cb 0.16 -0.24 0.19 0.00 -0.02 0.00 0.00 41.12 41.20 1wbg n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wbg n SER 171 N -1.24 0.58 -3.79 -2.24 3.41 -1.00 -4.98 113.62 104.36 1wbg n SER 171 Ca 0.12 -0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 1wbg n SER 171 Cb 0.17 0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1wbg n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wbg s THR 172 N -3.02 0.11 -0.77 6.66 -1.32 -1.15 -4.82 115.64 111.34 1wbg s THR 172 Ca 0.10 -0.94 0.24 0.00 -1.21 0.00 0.00 61.69 59.88 1wbg s THR 172 Cb 0.17 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1wbg s THR 172 CO 0.73 -0.52 1.30 0.54 -2.21 0.00 0.00 174.62 174.46 1wbg n ARG 173 N 0.10 0.18 -2.30 7.08 1.74 -1.26 -4.92 116.66 117.29 1wbg n ARG 173 Ca -0.16 0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.55 1wbg n ARG 173 Cb 0.62 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 1wbg n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wbg s ILE 174 N -3.11 3.11 -0.18 0.55 -1.09 -1.26 -4.98 121.20 114.24 1wbg s ILE 174 Ca 0.07 1.10 -0.29 0.00 -2.23 0.00 0.00 60.65 59.30 1wbg s ILE 174 Cb 0.15 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1wbg s ILE 174 CO 0.73 0.25 1.31 -0.60 -1.23 0.00 0.00 174.94 175.39 1wbg s ARG 175 N -1.70 4.16 -0.11 2.79 3.52 -1.26 -5.01 118.95 121.34 1wbg s ARG 175 Ca 0.48 1.63 -0.17 0.00 -0.13 0.00 0.00 55.73 57.54 1wbg s ARG 175 Cb -0.35 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 1wbg s ARG 175 CO 0.46 -0.81 0.42 0.42 -0.81 0.00 0.00 175.30 174.98 1wbg s ILE 176 N 3.75 5.19 0.45 4.11 -1.09 -1.26 -4.91 121.20 127.44 1wbg s ILE 176 Ca 0.57 0.84 0.07 0.00 -2.23 0.00 0.00 60.65 59.90 1wbg s ILE 176 Cb -0.22 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1wbg s ILE 176 CO 0.18 0.39 0.37 0.42 -1.23 0.00 0.00 174.94 175.06 1wbg s THR 177 N 0.29 2.39 -0.63 2.92 -4.23 -1.26 -5.02 115.64 110.10 1wbg s THR 177 Ca 0.23 -1.41 0.15 0.00 -1.18 0.00 0.00 61.69 59.49 1wbg s THR 177 Cb -0.15 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.04 1wbg s THR 177 CO 0.09 0.00 1.46 0.47 -0.54 0.00 0.00 174.62 176.10 1wbg n ASP 178 N -1.58 0.33 -1.15 3.99 9.92 -1.26 -2.17 116.55 124.63 1wbg n ASP 178 Ca 0.02 0.62 0.06 0.00 -0.53 0.00 0.00 54.79 54.97 1wbg n ASP 178 Cb 0.63 -0.68 0.24 0.00 -0.64 0.00 0.00 41.12 40.67 1wbg n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1wbg n ASN 179 N -1.91 3.33 -4.04 -2.24 3.02 -1.26 -4.84 115.26 107.33 1wbg n ASN 179 Ca 0.01 -2.28 -0.13 0.00 -0.03 0.00 0.00 54.58 52.14 1wbg n ASN 179 Cb 0.10 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.68 1wbg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1wbg s MET 180 N -1.72 0.48 0.16 3.52 -1.94 -0.92 -0.53 119.30 118.35 1wbg s MET 180 Ca 0.34 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 1wbg s MET 180 Cb 0.22 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.75 1wbg s MET 180 CO 0.17 0.05 0.01 -0.59 -0.01 0.00 0.00 175.02 174.65 1wbg s PHE 181 N -1.19 1.14 0.22 -0.03 -0.12 -0.79 -4.81 117.98 112.40 1wbg s PHE 181 Ca -0.09 -1.06 0.10 0.00 -0.05 0.00 0.00 56.93 55.84 1wbg s PHE 181 Cb -0.09 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.61 1wbg s PHE 181 CO 0.00 -0.27 -0.20 0.00 -0.05 0.00 0.00 175.22 174.71 1wbg s ALA 183 N -2.25 -0.23 0.00 0.00 0.00 -0.38 -1.29 121.76 117.61 1wbg s ALA 183 Ca 0.23 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1wbg s ALA 183 Cb -0.05 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1wbg s ALA 183 CO 0.10 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1wbg n GLY 184 N -0.07 3.73 3.87 0.00 0.00 -0.16 -2.41 105.19 110.15 1wbg n GLY 184 Ca -0.15 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 1wbg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wbg s TYR 184 N -2.02 3.48 0.44 1.61 2.02 -1.26 -4.48 117.35 117.12 1wbg s TYR 184 Ca 0.00 1.09 -0.06 0.00 -0.37 0.00 0.00 57.07 57.74 1wbg s TYR 184 Cb 0.00 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 1wbg s TYR 184 CO 0.00 -0.17 0.74 0.15 -1.57 0.00 0.00 175.55 174.70 1wbg s LYS 185 N -3.97 3.60 0.44 -0.62 1.02 -1.26 -4.80 119.74 114.14 1wbg s LYS 185 Ca 0.52 0.19 0.13 0.00 0.02 0.00 0.00 55.97 56.84 1wbg s LYS 185 Cb -0.10 -2.43 1.03 0.00 -0.52 0.00 0.00 37.83 35.81 1wbg s LYS 185 CO 0.33 -0.10 1.99 -1.35 -0.92 0.00 0.00 175.35 175.30 1wbg h PRO 186 N 0.63 0.39 0.00 -1.68 0.11 -1.95 -1.84 132.00 127.66 1wbg h PRO 186 Ca -0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1wbg h PRO 186 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1wbg h PRO 186 CO 0.62 0.26 -0.43 0.38 -0.21 0.00 0.00 178.00 178.62 1wbg h ASP 186 N 0.40 0.00 0.38 -2.05 3.04 -1.96 -3.35 116.42 112.87 1wbg h ASP 186 Ca 0.25 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 1wbg h ASP 186 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 1wbg h ASP 186 CO -0.07 0.43 0.00 -0.62 -2.04 0.00 0.00 179.24 176.94 1wbg n GLU 186 N -3.81 0.16 -0.19 4.15 1.02 -0.69 -4.86 120.64 116.42 1wbg n GLU 186 Ca -0.01 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1wbg n GLU 186 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1wbg n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wbg n GLY 186 N 0.12 2.08 3.40 0.62 0.00 -1.26 -4.95 105.19 105.20 1wbg n GLY 186 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1wbg n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbg s LYS 186 N -0.04 1.44 0.00 1.61 1.02 -1.26 -5.16 119.74 117.35 1wbg s LYS 186 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.52 1wbg s LYS 186 Cb 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 1wbg s LYS 186 CO 0.00 0.37 0.00 2.89 -0.92 0.00 0.00 175.35 177.69 1wbg n ARG 187 N 0.34 0.05 0.00 1.68 1.85 -1.26 -4.67 116.66 114.65 1wbg n ARG 187 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1wbg n ARG 187 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1wbg n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wbg n GLY 188 N 0.13 3.92 3.60 2.89 0.00 -1.26 -4.91 105.19 109.56 1wbg n GLY 188 Ca 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 1wbg n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wbg s ASP 189 N 0.00 -0.13 0.75 1.61 2.15 -1.11 -4.61 116.67 115.33 1wbg s ASP 189 Ca 0.00 -0.06 -0.10 0.00 0.43 0.00 0.00 52.55 52.82 1wbg s ASP 189 Cb 0.00 0.18 0.06 0.00 -0.30 0.00 0.00 42.92 42.86 1wbg s ASP 189 CO 0.00 -0.31 1.10 0.00 -0.17 0.00 0.00 175.17 175.79 1wbg s ALA 190 N -2.51 2.87 0.13 3.66 0.00 -1.26 -0.77 121.76 123.87 1wbg s ALA 190 Ca 0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1wbg s ALA 190 Cb 0.01 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1wbg s ALA 190 CO -0.04 -1.44 0.23 0.00 0.00 0.00 0.00 175.76 174.51 1wbg n GLU 192 N -0.19 1.05 0.00 0.00 -0.58 -1.26 -1.38 120.64 118.28 1wbg n GLU 192 Ca -0.02 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1wbg n GLU 192 Cb 0.20 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 1wbg n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wbg n GLY 193 N 3.79 3.08 0.18 0.62 0.00 -1.26 0.53 105.19 112.12 1wbg n GLY 193 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1wbg n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wbg h ASP 194 N 0.00 0.00 -4.13 1.61 3.32 -1.56 -3.21 116.42 112.45 1wbg h ASP 194 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1wbg h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1wbg h ASP 194 CO 0.00 0.01 0.45 -0.94 -1.72 0.00 0.00 179.24 177.04 1wbg s SER 195 N -5.94 4.79 0.00 6.45 1.04 -1.26 -1.83 113.70 116.95 1wbg s SER 195 Ca 0.05 2.38 0.00 0.00 0.48 0.00 0.00 55.95 58.86 1wbg s SER 195 Cb 0.06 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wbg s SER 195 CO 0.71 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1wbg n GLY 196 N 0.45 2.92 3.74 7.32 0.00 -0.07 -0.51 105.19 119.04 1wbg n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1wbg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wbg s GLY 197 N -1.56 1.59 -0.01 -0.02 0.00 -0.76 -2.85 107.32 103.71 1wbg s GLY 197 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 44.72 43.95 1wbg s GLY 197 CO 0.00 0.03 0.40 2.56 0.00 0.00 0.00 173.10 176.08 1wbg s PRO 198 N -5.28 3.93 -0.41 2.90 0.04 -1.26 -0.80 135.00 134.13 1wbg s PRO 198 Ca 0.66 0.39 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 1wbg s PRO 198 Cb -0.14 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.20 1wbg s PRO 198 CO 0.55 0.66 0.27 0.12 0.04 0.00 0.00 177.00 178.64 1wbg s PHE 199 N -0.95 3.25 0.27 0.56 2.19 0.24 -3.86 117.98 119.69 1wbg s PHE 199 Ca 0.23 -0.92 0.10 0.00 0.33 0.00 0.00 56.93 56.67 1wbg s PHE 199 Cb -0.16 -2.67 -0.04 0.00 -1.31 0.00 0.00 43.02 38.83 1wbg s PHE 199 CO 0.13 -0.68 -0.00 0.14 1.83 0.00 0.00 175.22 176.63 1wbg s VAL 200 N 1.59 3.46 0.00 3.12 -7.23 -0.09 -0.77 120.40 120.49 1wbg s VAL 200 Ca 0.03 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1wbg s VAL 200 Cb -0.20 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.88 1wbg s VAL 200 CO 0.07 -0.37 0.01 -0.04 -0.31 0.00 0.00 175.10 174.46 1wbg s MET 201 N -3.68 0.12 -0.27 4.82 -1.94 -0.26 -0.10 119.30 117.98 1wbg s MET 201 Ca 0.31 -0.16 -0.16 0.00 -1.71 0.00 0.00 55.69 53.98 1wbg s MET 201 Cb -0.06 0.04 -0.03 0.00 2.01 0.00 0.00 34.83 36.79 1wbg s MET 201 CO 0.20 -0.02 0.41 0.21 -0.01 0.00 0.00 175.02 175.81 1wbg s LYS 202 N -0.44 3.99 0.11 2.03 2.20 -1.26 -0.65 119.74 125.72 1wbg s LYS 202 Ca -0.05 0.07 -0.31 0.00 -0.36 0.00 0.00 55.97 55.32 1wbg s LYS 202 Cb -0.03 -3.67 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 1wbg s LYS 202 CO -0.00 -0.32 1.58 0.45 -0.36 0.00 0.00 175.35 176.70 1wbg s SER 203 N 1.63 6.64 0.02 1.43 0.15 -0.52 -4.89 113.70 118.15 1wbg s SER 203 Ca 0.16 2.49 0.19 0.00 0.70 0.00 0.00 55.95 59.49 1wbg s SER 203 Cb -0.16 -2.58 0.80 0.00 -1.71 0.00 0.00 66.02 62.38 1wbg s SER 203 CO 0.10 -0.83 1.60 -0.81 1.20 0.00 0.00 173.24 174.51 1wbg n PRO 204 N 4.80 0.01 -0.09 5.44 -0.04 -1.26 -1.39 135.00 142.47 1wbg n PRO 204 Ca 0.14 0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.61 1wbg n PRO 204 Cb 0.40 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 1wbg n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wbg h PHE 204 N 0.00 0.00 0.00 0.54 0.04 -1.97 -3.42 116.94 112.13 1wbg h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1wbg h PHE 204 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1wbg h PHE 204 CO 0.00 1.26 -0.02 0.27 -0.60 0.00 0.00 178.31 179.23 1wbg n ASN 204 N -4.51 1.54 -1.70 2.17 0.23 -1.24 -5.02 115.26 106.72 1wbg n ASN 204 Ca -0.23 -1.88 -0.17 0.00 -0.53 0.00 0.00 54.58 51.76 1wbg n ASN 204 Cb 0.59 -0.05 -0.04 0.00 -2.08 0.00 0.00 39.78 38.21 1wbg n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1wbg n ASN 205 N -0.46 -5.12 -4.57 0.53 4.13 -0.48 -4.97 115.26 104.31 1wbg n ASN 205 Ca 0.01 0.18 -0.33 0.00 1.68 0.00 0.00 54.58 56.13 1wbg n ASN 205 Cb 0.35 -4.18 -0.11 0.00 -1.54 0.00 0.00 39.78 34.30 1wbg n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1wbg s ARG 206 N -4.25 2.57 -0.02 3.52 0.52 -1.25 -4.86 118.95 115.17 1wbg s ARG 206 Ca 0.00 -0.68 -0.26 0.00 -0.52 0.00 0.00 55.73 54.26 1wbg s ARG 206 Cb 0.00 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1wbg s ARG 206 CO 0.00 0.62 0.83 -1.58 0.02 0.00 0.00 175.30 175.19 1wbg s TRP 207 N -0.90 3.64 -0.02 -0.53 0.52 -1.26 -1.44 118.94 118.95 1wbg s TRP 207 Ca 0.15 1.48 0.07 0.00 0.02 0.00 0.00 56.10 57.81 1wbg s TRP 207 Cb -0.11 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1wbg s TRP 207 CO 0.05 0.08 -0.21 0.71 0.02 0.00 0.00 176.95 177.59 1wbg s TYR 208 N 0.73 2.47 -0.50 -1.98 1.51 0.18 -1.97 117.35 117.79 1wbg s TYR 208 Ca 0.44 -0.33 -0.23 0.00 -1.01 0.00 0.00 57.07 55.94 1wbg s TYR 208 Cb -0.20 -1.53 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1wbg s TYR 208 CO 0.23 0.07 0.82 -1.14 -1.11 0.00 0.00 175.55 174.42 1wbg s GLN 209 N -0.77 3.33 -0.07 -0.62 0.74 0.32 -1.10 119.66 121.49 1wbg s GLN 209 Ca 0.11 -0.29 0.09 0.00 0.05 0.00 0.00 55.36 55.32 1wbg s GLN 209 Cb -0.10 -4.01 -0.24 0.00 1.10 0.00 0.00 33.01 29.76 1wbg s GLN 209 CO 0.00 -1.27 0.54 -1.33 -0.55 0.00 0.00 175.29 172.69 1wbg n MET 210 N 6.90 0.66 -4.13 1.67 2.81 0.05 -4.32 117.12 120.77 1wbg n MET 210 Ca 0.01 0.27 -0.09 0.00 -1.81 0.00 0.00 57.70 56.07 1wbg n MET 210 Cb 0.47 -1.75 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 1wbg n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wbg s GLY 211 N -5.25 0.72 -0.06 3.03 0.00 -0.73 -1.55 107.32 103.47 1wbg s GLY 211 Ca -0.09 -1.33 0.05 0.00 0.00 0.00 0.00 44.72 43.34 1wbg s GLY 211 CO 0.81 -1.36 -0.21 -0.42 0.00 0.00 0.00 173.10 171.92 1wbg s ILE 212 N -3.90 2.46 -0.07 0.90 1.01 -0.95 -0.59 121.20 120.06 1wbg s ILE 212 Ca 0.14 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1wbg s ILE 212 Cb 0.07 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.54 1wbg s ILE 212 CO -0.05 0.57 2.04 -0.69 0.00 0.00 0.00 174.94 176.82 1wbg s VAL 213 N -0.26 3.05 0.01 2.92 1.01 0.02 -0.32 120.40 126.83 1wbg s VAL 213 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1wbg s VAL 213 Cb -0.13 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1wbg s VAL 213 CO 0.03 -0.02 -0.10 -0.24 0.00 0.00 0.00 175.10 174.78 1wbg n SER 214 N 9.13 1.15 -3.49 3.32 2.88 -0.61 -0.89 113.62 125.11 1wbg n SER 214 Ca 0.24 0.17 -0.11 0.00 -1.33 0.00 0.00 58.87 57.83 1wbg n SER 214 Cb 0.43 -0.42 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 1wbg n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1wbg s TRP 215 N -2.08 -0.47 0.31 0.66 1.48 -0.90 -4.89 118.94 113.05 1wbg s TRP 215 Ca -0.08 0.22 -0.03 0.00 -1.06 0.00 0.00 56.10 55.16 1wbg s TRP 215 Cb 0.01 0.55 0.01 0.00 -1.16 0.00 0.00 33.47 32.88 1wbg s TRP 215 CO 0.12 -0.88 0.45 0.41 -4.06 0.00 0.00 176.95 172.99 1wbg n GLY 216 N -0.38 2.10 2.73 3.67 0.00 -1.26 0.11 105.19 112.17 1wbg n GLY 216 Ca -0.15 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1wbg n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbg s GLU 217 N -2.61 1.79 1.91 1.61 2.02 -1.26 -4.99 118.70 117.17 1wbg s GLU 217 Ca 0.24 -2.73 0.00 0.00 0.02 0.00 0.00 54.97 52.50 1wbg s GLU 217 Cb -0.01 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1wbg s GLU 217 CO 0.17 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.58 1wbg n GLY 219 N 2.55 -1.52 2.56 -1.39 0.00 -1.26 -4.72 105.19 101.41 1wbg n GLY 219 Ca 0.20 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1wbg n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbg n ARG 221 N -0.07 0.00 -0.64 0.00 1.74 -1.26 -4.61 116.66 111.82 1wbg n ARG 221 Ca 0.17 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.97 1wbg n ARG 221 Cb 0.75 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.14 1wbg n ARG 221 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wbg n ASP 221 N 0.00 0.41 -4.42 0.55 2.03 -1.26 -2.59 116.55 111.26 1wbg n ASP 221 Ca 0.00 0.39 -0.34 0.00 0.52 0.00 0.00 54.79 55.36 1wbg n ASP 221 Cb 0.03 -0.40 -0.13 0.00 -0.72 0.00 0.00 41.12 39.90 1wbg n ASP 221 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1wbg s ASP 222 N 2.18 4.50 0.00 1.67 1.11 -1.26 -4.93 116.67 119.94 1wbg s ASP 222 Ca 0.51 -0.24 0.00 0.00 0.18 0.00 0.00 52.55 53.00 1wbg s ASP 222 Cb -0.67 -1.73 0.00 0.00 1.07 0.00 0.00 42.92 41.59 1wbg s ASP 222 CO 0.32 0.12 0.00 0.61 1.18 0.00 0.00 175.17 177.40 1wbg n GLY 223 N 3.83 1.06 3.61 0.21 0.00 -1.17 -5.03 105.19 107.69 1wbg n GLY 223 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1wbg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbg s LYS 224 N -0.16 2.15 0.02 1.61 -0.14 -1.07 -4.70 119.74 117.45 1wbg s LYS 224 Ca 0.00 -1.51 -0.01 0.00 -1.36 0.00 0.00 55.97 53.10 1wbg s LYS 224 Cb 0.00 -2.07 -0.02 0.00 -1.68 0.00 0.00 37.83 34.06 1wbg s LYS 224 CO 0.00 0.35 -0.01 0.71 -0.76 0.00 0.00 175.35 175.64 1wbg s TYR 225 N -2.37 0.24 0.30 3.18 2.02 -1.26 -4.72 117.35 114.74 1wbg s TYR 225 Ca 0.31 -0.50 -0.25 0.00 -0.37 0.00 0.00 57.07 56.27 1wbg s TYR 225 Cb -0.06 -0.18 -0.10 0.00 -0.40 0.00 0.00 41.96 41.23 1wbg s TYR 225 CO 0.19 -0.21 0.90 0.20 -1.57 0.00 0.00 175.55 175.06 1wbg s GLY 226 N -1.48 2.75 -0.08 0.71 0.00 -1.01 -4.58 107.32 103.62 1wbg s GLY 226 Ca -0.15 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.01 1wbg s GLY 226 CO -0.01 0.86 -0.08 -1.36 0.00 0.00 0.00 173.10 172.51 1wbg s PHE 227 N -1.61 2.90 0.03 1.90 0.40 0.12 -1.24 117.98 120.47 1wbg s PHE 227 Ca 0.49 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.78 1wbg s PHE 227 Cb -0.18 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1wbg s PHE 227 CO 0.23 0.22 -0.19 0.71 0.70 0.00 0.00 175.22 176.89 1wbg s TYR 228 N -0.56 1.63 0.12 0.36 1.51 0.90 -1.58 117.35 119.73 1wbg s TYR 228 Ca 0.08 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 1wbg s TYR 228 Cb -0.12 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.66 1wbg s TYR 228 CO 0.02 0.05 1.40 0.99 -1.11 0.00 0.00 175.55 176.89 1wbg s THR 229 N -0.71 3.27 -0.74 -0.71 2.01 0.56 -1.88 115.64 117.45 1wbg s THR 229 Ca 0.06 0.91 -0.27 0.00 0.31 0.00 0.00 61.69 62.71 1wbg s THR 229 Cb -0.08 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1wbg s THR 229 CO 0.01 0.07 1.27 -2.28 -0.69 0.00 0.00 174.62 173.00 1wbg s HIS 230 N 1.10 2.30 0.10 4.92 2.46 0.31 -2.23 115.29 124.25 1wbg s HIS 230 Ca 0.65 -0.08 -0.17 0.00 0.47 0.00 0.00 55.06 55.93 1wbg s HIS 230 Cb -0.37 -4.61 -0.07 0.00 -0.13 0.00 0.00 32.58 27.40 1wbg s HIS 230 CO 0.30 -2.06 1.50 0.28 -2.47 0.00 0.00 174.74 172.29 1wbg h VAL 231 N 6.03 1.28 -0.65 0.89 2.07 -1.59 -3.01 116.25 121.27 1wbg h VAL 231 Ca -0.28 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1wbg h VAL 231 Cb 1.05 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1wbg h VAL 231 CO 1.28 0.35 0.40 0.15 0.02 0.00 0.00 177.57 179.76 1wbg h PHE 232 N 0.34 0.74 -0.18 1.57 3.57 -1.86 -1.91 116.94 119.21 1wbg h PHE 232 Ca 0.08 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1wbg h PHE 232 Cb 0.54 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1wbg h PHE 232 CO 0.05 0.41 0.27 0.00 -2.23 0.00 0.00 178.31 176.81 1wbg h ARG 233 N 0.77 0.00 -0.39 1.11 3.08 -1.91 0.32 114.38 117.37 1wbg h ARG 233 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1wbg h ARG 233 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1wbg h ARG 233 CO -0.12 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.06 1wbg n LEU 234 N -3.52 3.67 0.09 3.04 4.77 -0.75 -4.72 117.00 119.58 1wbg n LEU 234 Ca 0.02 -2.45 -0.02 0.00 -0.03 0.00 0.00 56.01 53.53 1wbg n LEU 234 Cb 0.39 -0.42 0.21 0.00 -2.33 0.00 0.00 43.42 41.28 1wbg n LEU 234 CO 0.24 0.73 0.64 0.50 -1.33 0.00 0.00 177.39 178.17 1wbg h LYS 235 N 2.42 0.26 -0.61 3.23 3.64 -0.55 -2.38 116.57 122.58 1wbg h LYS 235 Ca 0.00 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1wbg h LYS 235 Cb 1.14 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1wbg h LYS 235 CO 0.13 0.64 0.31 0.87 -2.27 0.00 0.00 179.45 179.12 1wbg h LYS 236 N 0.22 0.86 -0.30 1.90 1.57 -1.84 0.10 116.57 119.08 1wbg h LYS 236 Ca 0.02 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1wbg h LYS 236 Cb 0.82 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1wbg h LYS 236 CO 0.06 0.65 0.11 2.35 -0.57 0.00 0.00 179.45 182.06 1wbg h TRP 237 N 0.86 0.46 -0.03 -1.35 7.01 -1.80 -1.06 115.95 120.04 1wbg h TRP 237 Ca 0.22 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1wbg h TRP 237 Cb 0.07 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 1wbg h TRP 237 CO 0.01 0.45 -0.23 0.82 -2.79 0.00 0.00 178.44 176.70 1wbg h ILE 238 N 0.33 0.46 -0.70 2.65 2.04 -0.94 -1.94 117.51 119.40 1wbg h ILE 238 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1wbg h ILE 238 Cb 0.20 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1wbg h ILE 238 CO -0.01 0.00 0.30 1.56 0.00 0.00 0.00 178.15 180.01 1wbg h GLN 239 N -0.34 1.02 0.03 2.37 1.08 -0.76 -2.01 115.11 116.50 1wbg h GLN 239 Ca 0.07 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1wbg h GLN 239 Cb 0.44 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1wbg h GLN 239 CO -0.23 0.82 -0.08 -0.22 -0.95 0.00 0.00 178.83 178.16 1wbg h LYS 240 N 1.01 -0.15 -0.40 1.46 3.64 -0.93 0.15 116.57 121.35 1wbg h LYS 240 Ca 0.24 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1wbg h LYS 240 Cb 0.16 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1wbg h LYS 240 CO -0.02 -0.10 0.25 0.28 -2.27 0.00 0.00 179.45 177.58 1wbg h VAL 241 N -0.16 1.07 -0.06 2.00 2.07 -1.17 -0.69 116.25 119.31 1wbg h VAL 241 Ca 0.02 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1wbg h VAL 241 Cb 0.18 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1wbg h VAL 241 CO -0.06 0.09 -0.04 0.40 0.02 0.00 0.00 177.57 177.98 1wbg h ILE 242 N 0.51 1.35 -0.33 4.57 2.04 -1.18 0.32 117.51 124.78 1wbg h ILE 242 Ca 0.16 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 64.95 1wbg h ILE 242 Cb -0.02 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1wbg h ILE 242 CO -0.06 0.31 0.04 0.44 0.00 0.00 0.00 178.15 178.88 1wbg h ASP 243 N -0.29 -0.04 -0.06 1.72 3.32 -0.64 0.18 116.42 120.62 1wbg h ASP 243 Ca 0.01 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1wbg h ASP 243 Cb 0.51 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1wbg h ASP 243 CO 0.01 0.01 -0.07 -0.61 -1.72 0.00 0.00 179.24 176.87 1wbg h GLN 244 N 0.15 0.14 -0.00 3.56 4.15 -1.09 -3.38 115.11 118.63 1wbg h GLN 244 Ca 0.16 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1wbg h GLN 244 Cb 0.19 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1wbg h GLN 244 CO -0.23 0.62 -0.62 1.19 -1.93 0.00 0.00 178.83 177.85 1wbg n PHE 245 N -4.72 0.00 -3.09 3.99 3.01 0.10 -4.94 117.46 111.81 1wbg n PHE 245 Ca -0.08 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.07 1wbg n PHE 245 Cb 0.31 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.74 1wbg n PHE 245 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1wbg s GLY 246 N -2.33 2.11 0.00 1.37 0.00 0.63 -5.02 107.32 104.07 1wbg s GLY 246 Ca 0.09 -0.18 0.20 0.00 0.00 0.00 0.00 44.72 44.83 1wbg s GLY 246 CO 0.58 -0.00 1.15 -1.84 0.00 0.00 0.00 173.10 172.99