#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huj s ASP 3 N 0.00 -0.29 -0.11 0.00 2.15 -1.26 -4.93 116.67 112.23 3huj s ASP 3 Ca 0.00 -0.55 0.01 0.00 0.43 0.00 0.00 52.55 52.45 3huj s ASP 3 Cb 0.00 0.71 -0.02 0.00 -0.30 0.00 0.00 42.92 43.31 3huj s ASP 3 CO 0.00 -1.29 -0.15 -0.51 -0.17 0.00 0.00 175.17 173.05 3huj s ILE 4 N -3.90 2.91 0.11 4.11 2.07 -1.26 -2.33 121.20 122.90 3huj s ILE 4 Ca 0.10 -0.73 0.09 0.00 -1.41 0.00 0.00 60.65 58.71 3huj s ILE 4 Cb -0.05 -2.19 -0.04 0.00 0.13 0.00 0.00 42.46 40.31 3huj s ILE 4 CO 0.05 0.54 -0.24 -0.31 -1.91 0.00 0.00 174.94 173.07 3huj s TYR 5 N 0.13 2.02 -0.04 3.50 1.51 0.14 -4.52 117.35 120.09 3huj s TYR 5 Ca -0.07 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 3huj s TYR 5 Cb -0.15 -1.11 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3huj s TYR 5 CO 0.05 0.25 -0.04 -0.65 -1.11 0.00 0.00 175.55 174.05 3huj s GLN 6 N -1.91 0.78 0.00 -0.62 -0.21 -1.26 -1.84 119.66 114.60 3huj s GLN 6 Ca 0.10 -0.10 0.02 0.00 0.02 0.00 0.00 55.36 55.39 3huj s GLN 6 Cb -0.10 -0.79 -0.01 0.00 1.00 0.00 0.00 33.01 33.11 3huj s GLN 6 CO 0.05 -0.07 -0.05 0.95 -2.12 0.00 0.00 175.29 174.05 3huj s THR 7 N 0.85 0.42 0.62 -0.19 -4.23 -1.11 -4.23 115.64 107.77 3huj s THR 7 Ca -0.11 -0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.01 3huj s THR 7 Cb -0.14 -0.37 -0.00 0.00 1.34 0.00 0.00 72.50 73.33 3huj s THR 7 CO 0.00 0.07 0.98 -2.16 -0.54 0.00 0.00 174.62 172.97 3huj s PRO 8 N -0.25 3.07 0.39 3.99 0.04 -1.26 -1.77 135.00 139.21 3huj s PRO 8 Ca 0.01 0.30 0.13 0.00 0.04 0.00 0.00 61.00 61.47 3huj s PRO 8 Cb -0.03 -2.17 0.79 0.00 0.04 0.00 0.00 34.50 33.14 3huj s PRO 8 CO -0.00 -0.74 1.87 -0.09 0.04 0.00 0.00 177.00 178.08 3huj h ARG 9 N -0.32 0.02 -4.61 4.56 9.65 -1.80 -3.42 114.38 118.46 3huj h ARG 9 Ca -0.45 -0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 58.09 3huj h ARG 9 Cb 1.24 -0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.56 3huj h ARG 9 CO 0.62 0.33 -0.76 0.71 2.80 0.00 0.00 179.97 183.67 3huj s TYR 10 N -4.35 0.70 -0.13 2.20 1.51 -1.26 -1.66 117.35 114.36 3huj s TYR 10 Ca -0.03 -0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 3huj s TYR 10 Cb 0.15 -0.43 0.06 0.00 -0.11 0.00 0.00 41.96 41.63 3huj s TYR 10 CO 0.72 -0.03 0.29 -1.17 -1.11 0.00 0.00 175.55 174.26 3huj s LEU 11 N -0.81 0.05 -0.10 -1.29 1.98 -0.11 -4.93 118.68 113.47 3huj s LEU 11 Ca -0.02 0.65 0.03 0.00 -2.89 0.00 0.00 54.13 51.90 3huj s LEU 11 Cb -0.06 0.89 0.01 0.00 0.66 0.00 0.00 46.19 47.68 3huj s LEU 11 CO 0.00 -0.20 -0.19 0.54 -1.89 0.00 0.00 176.35 174.62 3huj s VAL 12 N 1.69 1.71 0.06 1.68 0.11 -1.26 -1.00 120.40 123.39 3huj s VAL 12 Ca -0.06 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 3huj s VAL 12 Cb -0.11 -1.51 -0.03 0.00 -1.53 0.00 0.00 36.38 33.20 3huj s VAL 12 CO -0.10 0.48 -0.07 -0.51 -3.33 0.00 0.00 175.10 171.58 3huj s ILE 13 N 0.59 0.54 0.52 7.04 1.10 -1.07 -4.88 121.20 125.04 3huj s ILE 13 Ca -0.14 -1.35 -0.20 0.00 -0.51 0.00 0.00 60.65 58.45 3huj s ILE 13 Cb -0.17 -0.93 -0.06 0.00 0.15 0.00 0.00 42.46 41.45 3huj s ILE 13 CO 0.05 -0.56 1.12 -0.83 -2.11 0.00 0.00 174.94 172.61 3huj s GLY 14 N -2.05 2.65 0.39 1.50 0.00 -1.26 -1.52 107.32 107.02 3huj s GLY 14 Ca -0.03 0.82 -0.27 0.00 0.00 0.00 0.00 44.72 45.24 3huj s GLY 14 CO -0.02 1.19 1.32 -1.08 0.00 0.00 0.00 173.10 174.52 3huj s THR 15 N -1.75 2.57 -0.34 0.90 -1.32 -0.52 -3.45 115.64 111.72 3huj s THR 15 Ca 0.70 0.53 -0.02 0.00 -1.21 0.00 0.00 61.69 61.69 3huj s THR 15 Cb -0.24 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 3huj s THR 15 CO 0.28 0.09 0.25 0.61 -2.21 0.00 0.00 174.62 173.64 3huj n GLY 16 N 0.68 0.54 3.42 6.08 0.00 0.37 -4.89 105.19 111.38 3huj n GLY 16 Ca 0.03 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 3huj n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj s LYS 17 N -5.19 1.55 -0.03 1.61 1.02 -1.22 -4.62 119.74 112.85 3huj s LYS 17 Ca 0.13 -1.81 -0.26 0.00 0.02 0.00 0.00 55.97 54.04 3huj s LYS 17 Cb -0.06 -0.99 -0.03 0.00 -0.52 0.00 0.00 37.83 36.23 3huj s LYS 17 CO 0.16 -0.06 0.81 0.21 -0.92 0.00 0.00 175.35 175.55 3huj s LYS 18 N -3.80 4.49 -0.10 1.68 2.20 -1.20 -0.78 119.74 122.24 3huj s LYS 18 Ca 0.31 1.10 0.02 0.00 -0.36 0.00 0.00 55.97 57.05 3huj s LYS 18 Cb 0.06 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3huj s LYS 18 CO 0.12 0.03 -0.17 0.42 -0.36 0.00 0.00 175.35 175.39 3huj s ILE 19 N 0.84 1.59 -0.09 5.43 1.01 0.50 -5.01 121.20 125.48 3huj s ILE 19 Ca 0.43 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3huj s ILE 19 Cb -0.19 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3huj s ILE 19 CO 0.22 0.46 -0.17 -0.89 0.00 0.00 0.00 174.94 174.56 3huj s THR 20 N 0.73 2.75 -0.17 2.92 2.01 -1.26 -0.68 115.64 121.95 3huj s THR 20 Ca -0.12 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 3huj s THR 20 Cb -0.16 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3huj s THR 20 CO 0.02 0.55 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.66 3huj s LEU 21 N -0.04 2.83 -0.05 4.42 1.43 0.37 -4.88 118.68 122.76 3huj s LEU 21 Ca -0.04 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 3huj s LEU 21 Cb -0.14 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3huj s LEU 21 CO 0.04 0.09 0.59 -1.61 0.23 0.00 0.00 176.35 175.69 3huj s GLU 22 N 0.79 4.34 -0.10 1.70 2.02 -0.73 -1.13 118.70 125.59 3huj s GLU 22 Ca -0.03 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.65 3huj s GLU 22 Cb -0.15 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.72 3huj s GLU 22 CO 0.01 0.25 -0.09 0.00 0.02 0.00 0.00 175.26 175.46 3huj s SER 24 N 1.41 1.63 -0.23 0.00 0.01 -0.77 -1.12 113.70 114.64 3huj s SER 24 Ca -0.01 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 3huj s SER 24 Cb -0.13 -0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.13 3huj s SER 24 CO -0.05 -0.05 0.50 -1.58 0.41 0.00 0.00 173.24 172.47 3huj s GLN 25 N -1.56 0.42 -0.18 12.44 -0.44 -0.34 0.25 119.66 130.25 3huj s GLN 25 Ca -0.01 1.16 0.16 0.00 -2.50 0.00 0.00 55.36 54.16 3huj s GLN 25 Cb -0.09 0.48 0.64 0.00 -1.64 0.00 0.00 33.01 32.39 3huj s GLN 25 CO 0.02 -0.23 1.55 0.25 0.50 0.00 0.00 175.29 177.38 3huj n THR 26 N 5.31 2.32 0.78 -0.34 -2.24 -0.99 -4.42 114.28 114.70 3huj n THR 26 Ca -0.11 -1.59 0.13 0.00 -2.27 0.00 0.00 64.05 60.21 3huj n THR 26 Cb 0.50 -0.17 0.34 0.00 -2.10 0.00 0.00 70.33 68.90 3huj n THR 26 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3huj n MET 27 N 0.12 0.15 -2.32 -0.78 2.81 -1.26 -1.77 117.12 114.08 3huj n MET 27 Ca 0.23 0.08 -0.04 0.00 -1.81 0.00 0.00 57.70 56.17 3huj n MET 27 Cb 0.97 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 3huj n MET 27 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3huj n GLY 28 N 1.40 0.44 3.81 3.03 0.00 -1.26 -4.81 105.19 107.81 3huj n GLY 28 Ca 0.05 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 3huj n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3huj s HIS 29 N -2.54 3.69 -0.11 1.61 3.76 -1.26 -5.00 115.29 115.44 3huj s HIS 29 Ca 0.04 0.98 -0.18 0.00 -0.15 0.00 0.00 55.06 55.75 3huj s HIS 29 Cb -0.02 -2.34 -0.26 0.00 1.11 0.00 0.00 32.58 31.07 3huj s HIS 29 CO 0.05 0.56 0.56 -0.44 -0.85 0.00 0.00 174.74 174.62 3huj h ASP 30 N 5.06 0.31 -3.37 1.40 3.32 -1.88 -3.47 116.42 117.80 3huj h ASP 30 Ca -0.50 -0.83 -0.55 0.00 0.02 0.00 0.00 57.03 55.17 3huj h ASP 30 Cb 1.21 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 3huj h ASP 30 CO 0.64 1.54 0.25 -0.75 -1.72 0.00 0.00 179.24 179.20 3huj s LYS 31 N -2.44 4.47 0.08 3.56 2.20 -1.26 -3.18 119.74 123.17 3huj s LYS 31 Ca -0.20 1.12 0.02 0.00 -0.36 0.00 0.00 55.97 56.55 3huj s LYS 31 Cb 0.04 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 3huj s LYS 31 CO 0.74 -0.04 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.98 3huj s MET 32 N 1.10 0.74 0.03 4.03 -1.94 -0.34 -1.64 119.30 121.28 3huj s MET 32 Ca 0.44 -1.16 -0.01 0.00 -1.71 0.00 0.00 55.69 53.25 3huj s MET 32 Cb -0.19 -0.23 -0.02 0.00 2.01 0.00 0.00 34.83 36.40 3huj s MET 32 CO 0.21 0.00 -0.01 0.71 -0.01 0.00 0.00 175.02 175.92 3huj s TYR 33 N -2.94 0.32 -0.06 -0.03 1.51 0.43 -1.01 117.35 115.57 3huj s TYR 33 Ca 0.05 -0.67 0.05 0.00 -1.01 0.00 0.00 57.07 55.49 3huj s TYR 33 Cb 0.01 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 3huj s TYR 33 CO -0.03 -0.27 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.34 3huj s TRP 34 N -2.29 2.19 0.10 2.71 0.52 0.54 -1.50 118.94 121.21 3huj s TRP 34 Ca -0.08 -0.70 0.10 0.00 0.02 0.00 0.00 56.10 55.43 3huj s TRP 34 Cb -0.04 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.79 3huj s TRP 34 CO -0.04 -0.24 -0.25 0.71 0.02 0.00 0.00 176.95 177.16 3huj s TYR 35 N 0.02 2.11 -0.11 -1.98 1.51 0.15 -1.31 117.35 117.75 3huj s TYR 35 Ca -0.07 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 3huj s TYR 35 Cb -0.14 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 3huj s TYR 35 CO 0.04 0.24 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.47 3huj s GLN 36 N -1.77 3.16 -0.07 -0.62 0.74 -0.14 -0.79 119.66 120.17 3huj s GLN 36 Ca 0.11 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 54.85 3huj s GLN 36 Cb -0.10 -2.62 0.04 0.00 1.10 0.00 0.00 33.01 31.43 3huj s GLN 36 CO 0.04 0.37 0.13 -1.14 -0.55 0.00 0.00 175.29 174.14 3huj s GLN 37 N -0.04 0.00 0.25 1.67 0.74 0.25 -1.55 119.66 120.99 3huj s GLN 37 Ca -0.02 0.50 -0.17 0.00 0.05 0.00 0.00 55.36 55.72 3huj s GLN 37 Cb -0.14 -0.37 -0.08 0.00 1.10 0.00 0.00 33.01 33.52 3huj s GLN 37 CO 0.04 -0.32 0.71 -0.51 -0.55 0.00 0.00 175.29 174.66 3huj s ASP 38 N 2.26 6.93 -0.28 6.67 1.01 -1.26 -1.42 116.67 130.57 3huj s ASP 38 Ca 0.04 1.34 -0.26 0.00 0.71 0.00 0.00 52.55 54.38 3huj s ASP 38 Cb -0.12 -2.39 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 3huj s ASP 38 CO -0.05 -0.05 1.11 -2.65 0.21 0.00 0.00 175.17 173.74 3huj n PRO 39 N 0.32 0.00 -0.49 8.23 -0.02 -1.26 -0.07 135.00 141.71 3huj n PRO 39 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3huj n PRO 39 Cb 0.52 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 3huj n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huj n GLY 40 N 3.57 1.99 4.03 -1.23 0.00 -1.26 -5.00 105.19 107.29 3huj n GLY 40 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 3huj n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3huj s MET 41 N -0.01 2.44 0.83 1.61 -1.94 0.91 -5.11 119.30 118.04 3huj s MET 41 Ca 0.00 -1.52 -0.12 0.00 -1.71 0.00 0.00 55.69 52.35 3huj s MET 41 Cb 0.00 -2.67 0.09 0.00 2.01 0.00 0.00 34.83 34.26 3huj s MET 41 CO 0.00 -0.71 1.14 -1.83 -0.01 0.00 0.00 175.02 173.61 3huj s GLU 42 N -4.59 1.81 -0.21 2.03 -1.05 -1.26 -4.66 118.70 110.77 3huj s GLU 42 Ca 0.60 0.34 -0.24 0.00 -0.15 0.00 0.00 54.97 55.51 3huj s GLU 42 Cb -0.07 -1.91 -0.01 0.00 -0.44 0.00 0.00 34.13 31.70 3huj s GLU 42 CO 0.37 -1.75 0.81 -0.51 0.95 0.00 0.00 175.26 175.14 3huj s LEU 43 N -5.76 4.12 -0.15 1.83 1.43 -1.26 -4.42 118.68 114.47 3huj s LEU 43 Ca 0.62 1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 54.75 3huj s LEU 43 Cb -0.13 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 3huj s LEU 43 CO 0.52 -0.45 -0.04 -1.00 0.23 0.00 0.00 176.35 175.61 3huj s HIS 44 N 2.48 3.02 -0.05 0.29 3.76 -0.59 -4.96 115.29 119.23 3huj s HIS 44 Ca 0.36 -0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 3huj s HIS 44 Cb -0.16 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 3huj s HIS 44 CO 0.10 -0.03 1.30 -1.17 -0.85 0.00 0.00 174.74 174.08 3huj s LEU 45 N 0.32 4.28 -0.12 0.89 0.20 -1.26 -0.96 118.68 122.02 3huj s LEU 45 Ca -0.04 1.92 0.04 0.00 0.69 0.00 0.00 54.13 56.74 3huj s LEU 45 Cb -0.14 -3.55 -0.10 0.00 -0.43 0.00 0.00 46.19 41.96 3huj s LEU 45 CO 0.03 -0.67 -0.06 2.30 -0.29 0.00 0.00 176.35 177.66 3huj n ILE 46 N 4.78 0.74 -3.83 6.68 -5.35 -0.43 -2.12 119.36 119.83 3huj n ILE 46 Ca 0.12 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 3huj n ILE 46 Cb 0.45 -0.87 -0.09 0.00 -1.74 0.00 0.00 39.64 37.38 3huj n ILE 46 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3huj s HIS 47 N -2.26 -0.03 0.23 4.28 3.76 -1.19 0.38 115.29 120.46 3huj s HIS 47 Ca -0.13 -0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 54.72 3huj s HIS 47 Cb 0.04 0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.71 3huj s HIS 47 CO 0.35 -0.33 0.27 1.52 -0.85 0.00 0.00 174.74 175.71 3huj s TYR 48 N -1.44 0.93 -0.20 1.40 -0.85 0.89 -0.34 117.35 117.73 3huj s TYR 48 Ca -0.14 -1.18 -0.17 0.00 -0.52 0.00 0.00 57.07 55.06 3huj s TYR 48 Cb -0.06 -0.29 0.05 0.00 0.38 0.00 0.00 41.96 42.03 3huj s TYR 48 CO 0.02 -0.80 0.52 0.45 -1.52 0.00 0.00 175.55 174.22 3huj s SER 49 N -3.13 -0.56 0.00 -0.18 0.15 -0.18 -0.38 113.70 109.42 3huj s SER 49 Ca 0.33 1.06 0.23 0.00 0.70 0.00 0.00 55.95 58.28 3huj s SER 49 Cb 0.04 1.06 0.18 0.00 -1.71 0.00 0.00 66.02 65.59 3huj s SER 49 CO 0.12 -0.19 1.20 -1.22 1.20 0.00 0.00 173.24 174.36 3huj n TYR 50 N 3.02 0.00 -3.84 3.44 4.02 -1.26 -1.20 117.16 121.33 3huj n TYR 50 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3huj n TYR 50 Cb 0.56 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 3huj n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3huj n GLY 51 N 1.42 -1.13 3.74 2.72 0.00 -1.19 -4.37 105.19 106.37 3huj n GLY 51 Ca 0.09 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 3huj n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3huj s VAL 52 N -2.97 2.59 -1.23 1.61 -7.23 -1.26 -2.25 120.40 109.67 3huj s VAL 52 Ca 0.00 0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 3huj s VAL 52 Cb 0.00 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.64 3huj s VAL 52 CO 0.00 0.06 0.00 0.59 -0.31 0.00 0.00 175.10 175.44 3huj n ASN 53 N 2.85 -4.78 -4.45 4.85 3.02 0.36 -5.00 115.26 112.11 3huj n ASN 53 Ca 0.09 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.52 3huj n ASN 53 Cb 0.39 -3.30 -0.11 0.00 -0.61 0.00 0.00 39.78 36.15 3huj n ASN 53 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3huj s SER 54 N -2.69 5.89 -0.36 6.41 0.15 -0.95 -5.00 113.70 117.14 3huj s SER 54 Ca 0.00 -0.74 0.01 0.00 0.70 0.00 0.00 55.95 55.93 3huj s SER 54 Cb 0.00 -2.09 0.11 0.00 -1.71 0.00 0.00 66.02 62.33 3huj s SER 54 CO 0.00 -0.33 0.13 0.42 1.20 0.00 0.00 173.24 174.66 3huj s THR 55 N 1.64 1.44 -0.13 6.45 -4.23 -1.26 -4.31 115.64 115.25 3huj s THR 55 Ca 0.04 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 3huj s THR 55 Cb -0.18 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 3huj s THR 55 CO 0.09 -0.72 0.02 -1.61 -0.54 0.00 0.00 174.62 171.86 3huj s GLU 56 N 1.03 3.40 0.46 3.99 0.41 0.49 -4.97 118.70 123.51 3huj s GLU 56 Ca 0.12 -0.39 -0.23 0.00 -0.41 0.00 0.00 54.97 54.06 3huj s GLU 56 Cb -0.20 -2.95 -0.07 0.00 -1.78 0.00 0.00 34.13 29.13 3huj s GLU 56 CO -0.13 0.51 1.20 0.15 -0.49 0.00 0.00 175.26 176.50 3huj s LYS 57 N -0.35 3.71 0.69 1.61 1.02 -1.26 -0.08 119.74 125.08 3huj s LYS 57 Ca 0.07 1.86 0.01 0.00 0.02 0.00 0.00 55.97 57.94 3huj s LYS 57 Cb -0.12 -2.43 0.12 0.00 -0.52 0.00 0.00 37.83 34.88 3huj s LYS 57 CO 0.02 -0.62 0.96 0.20 -0.92 0.00 0.00 175.35 174.99 3huj s GLY 58 N -1.25 1.76 0.21 -3.33 0.00 0.16 -4.72 107.32 100.14 3huj s GLY 58 Ca 0.64 -1.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.47 3huj s GLY 58 CO 0.37 -1.25 1.86 1.29 0.00 0.00 0.00 173.10 175.37 3huj h ASP 59 N -0.40 0.96 -3.50 1.64 2.03 -1.82 -3.42 116.42 111.91 3huj h ASP 59 Ca -0.35 -0.06 -0.53 0.00 -0.73 0.00 0.00 57.03 55.36 3huj h ASP 59 Cb 1.27 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 39.51 3huj h ASP 59 CO 0.40 0.74 0.37 -0.22 -1.03 0.00 0.00 179.24 179.50 3huj s LEU 60 N -10.03 4.45 0.28 0.15 2.96 -0.90 -5.02 118.68 110.57 3huj s LEU 60 Ca -0.13 1.75 -0.29 0.00 -0.22 0.00 0.00 54.13 55.24 3huj s LEU 60 Cb 0.15 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.17 3huj s LEU 60 CO 0.80 -0.15 1.15 -0.55 -1.32 0.00 0.00 176.35 176.28 3huj s SER 61 N 0.41 7.15 -0.08 3.68 0.15 -1.26 -4.58 113.70 119.16 3huj s SER 61 Ca 0.49 2.36 -0.10 0.00 0.70 0.00 0.00 55.95 59.40 3huj s SER 61 Cb -0.23 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.48 3huj s SER 61 CO 0.29 -0.24 0.26 -0.55 1.20 0.00 0.00 173.24 174.20 3huj s SER 62 N -0.71 -0.24 0.39 5.45 0.15 -1.26 -5.02 113.70 112.45 3huj s SER 62 Ca 0.46 0.43 0.28 0.00 0.70 0.00 0.00 55.95 57.82 3huj s SER 62 Cb -0.34 0.49 1.19 0.00 -1.71 0.00 0.00 66.02 65.65 3huj s SER 62 CO 0.43 -0.15 1.84 -0.33 1.20 0.00 0.00 173.24 176.23 3huj h GLU 63 N 5.42 0.00 -7.25 5.44 5.08 -1.96 -3.46 114.58 117.85 3huj h GLU 63 Ca -0.27 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.59 3huj h GLU 63 Cb 1.19 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.53 3huj h GLU 63 CO 0.35 0.00 0.36 -1.54 -1.00 0.00 0.00 179.01 177.19 3huj s SER 65 N -4.82 5.27 0.13 1.42 1.04 -1.26 -4.76 113.70 110.72 3huj s SER 65 Ca 0.02 1.81 0.05 0.00 0.48 0.00 0.00 55.95 58.32 3huj s SER 65 Cb 0.09 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 3huj s SER 65 CO 0.44 -1.51 -0.12 0.42 0.98 0.00 0.00 173.24 173.45 3huj s THR 66 N -2.66 1.21 0.46 2.02 -4.23 0.64 -4.96 115.64 108.13 3huj s THR 66 Ca 0.63 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 3huj s THR 66 Cb -0.17 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 3huj s THR 66 CO 0.46 -0.54 0.03 0.68 -0.54 0.00 0.00 174.62 174.71 3huj s VAL 67 N -2.54 1.24 -0.10 2.29 -7.23 -1.26 0.88 120.40 113.68 3huj s VAL 67 Ca 0.10 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 3huj s VAL 67 Cb -0.02 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.55 3huj s VAL 67 CO 0.02 0.00 0.43 -0.55 -0.31 0.00 0.00 175.10 174.69 3huj s SER 68 N -3.77 -0.40 -0.40 4.85 0.15 -1.08 -4.97 113.70 108.08 3huj s SER 68 Ca 0.17 0.59 0.06 0.00 0.70 0.00 0.00 55.95 57.46 3huj s SER 68 Cb 0.04 0.65 0.20 0.00 -1.71 0.00 0.00 66.02 65.20 3huj s SER 68 CO 0.09 -0.33 0.42 -1.14 1.20 0.00 0.00 173.24 173.48 3huj n ARG 69 N 2.00 0.40 0.07 5.44 3.00 -1.26 -3.46 116.66 122.85 3huj n ARG 69 Ca -0.17 -3.17 -0.20 0.00 -0.00 0.00 0.00 57.85 54.31 3huj n ARG 69 Cb 0.57 -1.48 -0.15 0.00 0.00 0.00 0.00 32.46 31.40 3huj n ARG 69 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 3huj h ILE 70 N 3.57 1.05 -3.11 5.15 3.07 -1.94 1.04 117.51 126.34 3huj h ILE 70 Ca 0.19 -2.65 -0.63 0.00 1.55 0.00 0.00 64.86 63.31 3huj h ILE 70 Cb 0.90 2.77 -0.15 0.00 -0.27 0.00 0.00 36.82 40.07 3huj h ILE 70 CO 0.40 0.83 -0.74 -0.13 -1.05 0.00 0.00 178.15 177.47 3huj s ARG 71 N -2.60 2.01 0.18 0.16 3.00 -1.26 -4.79 118.95 115.66 3huj s ARG 71 Ca -0.12 -1.26 -0.13 0.00 0.00 0.00 0.00 55.73 54.22 3huj s ARG 71 Cb 0.06 -2.15 0.15 0.00 0.00 0.00 0.00 34.95 33.01 3huj s ARG 71 CO 0.86 0.44 1.75 1.15 0.00 0.00 0.00 175.30 179.50 3huj h THR 72 N 2.87 0.85 0.00 0.02 2.02 -1.95 -3.01 112.91 113.71 3huj h THR 72 Ca -0.47 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3huj h THR 72 Cb 1.20 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3huj h THR 72 CO 0.53 0.06 -0.06 -0.08 0.37 0.00 0.00 175.52 176.35 3huj h GLU 73 N 0.35 0.00 -6.64 6.66 4.81 -1.91 -3.45 114.58 114.40 3huj h GLU 73 Ca 0.23 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.79 3huj h GLU 73 Cb 0.23 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.43 3huj h GLU 73 CO -0.23 0.06 -0.79 -1.01 -0.73 0.00 0.00 179.01 176.31 3huj s HIS 74 N -4.88 2.52 -0.45 0.92 3.76 -1.14 -1.20 115.29 114.82 3huj s HIS 74 Ca -0.05 -0.27 0.07 0.00 -0.15 0.00 0.00 55.06 54.66 3huj s HIS 74 Cb 0.16 -1.30 0.27 0.00 1.11 0.00 0.00 32.58 32.83 3huj s HIS 74 CO 0.67 0.43 0.86 0.34 -0.85 0.00 0.00 174.74 176.19 3huj n PHE 75 N 0.53 -2.35 -2.73 1.40 -0.00 -0.28 -4.56 117.46 109.48 3huj n PHE 75 Ca -0.14 -2.37 -0.36 0.00 -0.00 0.00 0.00 57.45 54.58 3huj n PHE 75 Cb 0.54 1.04 -0.06 0.00 -0.00 0.00 0.00 39.48 41.00 3huj n PHE 75 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3huj s PRO 76 N -0.05 4.40 -0.00 -7.13 0.05 -1.22 -4.18 135.00 126.86 3huj s PRO 76 Ca 0.31 1.33 0.00 0.00 0.05 0.00 0.00 61.00 62.69 3huj s PRO 76 Cb 0.24 -2.60 -0.04 0.00 0.05 0.00 0.00 34.50 32.16 3huj s PRO 76 CO -0.16 0.10 0.06 -1.17 0.05 0.00 0.00 177.00 175.88 3huj s LEU 77 N -2.46 3.79 -0.05 -3.56 0.20 -0.29 -2.64 118.68 113.68 3huj s LEU 77 Ca 0.55 0.10 0.02 0.00 0.69 0.00 0.00 54.13 55.48 3huj s LEU 77 Cb -0.17 -2.21 0.02 0.00 -0.43 0.00 0.00 46.19 43.40 3huj s LEU 77 CO 0.22 0.27 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.59 3huj s THR 78 N -1.17 0.76 -0.31 3.68 2.01 0.25 -0.48 115.64 120.39 3huj s THR 78 Ca 0.22 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 3huj s THR 78 Cb -0.12 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.68 3huj s THR 78 CO 0.13 0.27 0.08 -0.76 -0.69 0.00 0.00 174.62 173.65 3huj s LEU 79 N 0.78 4.02 0.20 4.42 2.01 0.14 -0.26 118.68 130.00 3huj s LEU 79 Ca -0.13 -0.92 -0.06 0.00 0.01 0.00 0.00 54.13 53.03 3huj s LEU 79 Cb -0.15 -1.86 0.13 0.00 0.01 0.00 0.00 46.19 44.32 3huj s LEU 79 CO 0.02 -0.25 1.61 -0.33 1.01 0.00 0.00 176.35 178.41 3huj h GLU 80 N 8.21 0.86 -3.39 1.70 4.39 -1.83 0.14 114.58 124.67 3huj h GLU 80 Ca -0.28 -0.34 -0.50 0.00 0.34 0.00 0.00 59.36 58.58 3huj h GLU 80 Cb 1.10 -0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.31 3huj h GLU 80 CO 0.60 0.98 -0.76 0.45 -1.16 0.00 0.00 179.01 179.12 3huj s SER 81 N -6.73 2.77 0.08 1.42 0.15 -1.23 -3.21 113.70 106.95 3huj s SER 81 Ca -0.10 -0.78 -0.31 0.00 0.70 0.00 0.00 55.95 55.46 3huj s SER 81 Cb 0.13 -0.49 -0.07 0.00 -1.71 0.00 0.00 66.02 63.88 3huj s SER 81 CO 0.85 -0.32 1.31 0.00 1.20 0.00 0.00 173.24 176.27 3huj s ALA 82 N 1.94 3.51 0.08 5.45 0.00 0.04 -4.75 121.76 128.03 3huj s ALA 82 Ca 0.00 0.98 0.09 0.00 0.00 0.00 0.00 51.96 53.03 3huj s ALA 82 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 3huj s ALA 82 CO -0.09 -0.57 -0.21 1.03 0.00 0.00 0.00 175.76 175.92 3huj s ARG 83 N 1.21 1.85 0.56 0.00 0.52 -1.26 0.14 118.95 121.96 3huj s ARG 83 Ca 0.62 -1.11 0.31 0.00 -0.52 0.00 0.00 55.73 55.02 3huj s ARG 83 Cb -0.33 -2.09 1.46 0.00 0.52 0.00 0.00 34.95 34.51 3huj s ARG 83 CO 0.29 0.51 1.87 -1.35 0.02 0.00 0.00 175.30 176.64 3huj h PRO 84 N 4.27 0.00 0.00 3.54 0.11 -1.93 0.27 132.00 138.26 3huj h PRO 84 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3huj h PRO 84 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3huj h PRO 84 CO 0.45 0.00 -0.12 0.66 -0.21 0.00 0.00 178.00 178.78 3huj h SER 85 N 0.00 0.00 0.76 -2.05 4.64 -1.95 -2.83 113.55 112.13 3huj h SER 85 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3huj h SER 85 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3huj h SER 85 CO -0.00 0.12 0.00 0.45 -0.87 0.00 0.00 176.83 176.53 3huj h HIS 86 N 0.00 0.00 -1.42 4.77 3.86 -0.85 -3.43 115.15 118.08 3huj h HIS 86 Ca -0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 3huj h HIS 86 Cb 0.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 3huj h HIS 86 CO 0.00 0.00 1.26 2.41 0.86 0.00 0.00 177.93 182.46 3huj n THR 87 N -2.45 0.30 -3.82 2.45 -1.04 -1.07 -4.82 114.28 103.84 3huj n THR 87 Ca 0.02 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3huj n THR 87 Cb 0.24 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 3huj n THR 87 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3huj n SER 88 N 8.41 -0.22 -4.44 8.00 2.88 -0.86 -5.01 113.62 122.39 3huj n SER 88 Ca 0.34 -1.06 -0.33 0.00 -1.33 0.00 0.00 58.87 56.49 3huj n SER 88 Cb 0.23 0.34 -0.13 0.00 -0.75 0.00 0.00 64.21 63.90 3huj n SER 88 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3huj s GLN 89 N -2.00 3.42 -0.28 -1.46 0.74 -0.51 -1.40 119.66 118.17 3huj s GLN 89 Ca 0.05 -0.61 -0.02 0.00 0.05 0.00 0.00 55.36 54.83 3huj s GLN 89 Cb -0.00 -2.73 0.04 0.00 1.10 0.00 0.00 33.01 31.42 3huj s GLN 89 CO 0.00 0.27 -0.02 0.71 -0.55 0.00 0.00 175.29 175.70 3huj s TYR 90 N 0.23 3.18 -0.18 1.67 1.51 -0.67 -0.58 117.35 122.51 3huj s TYR 90 Ca -0.06 -1.70 -0.05 0.00 -1.01 0.00 0.00 57.07 54.25 3huj s TYR 90 Cb -0.15 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 3huj s TYR 90 CO 0.04 -0.76 0.01 -0.51 -1.11 0.00 0.00 175.55 173.22 3huj s LEU 91 N 1.29 3.45 0.20 -1.29 1.43 0.03 -1.98 118.68 121.81 3huj s LEU 91 Ca -0.03 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3huj s LEU 91 Cb -0.18 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 3huj s LEU 91 CO -0.02 0.14 0.42 0.00 0.23 0.00 0.00 176.35 177.12 3huj s ALA 93 N -1.83 -0.69 0.04 0.00 0.00 -0.56 -0.98 121.76 117.73 3huj s ALA 93 Ca 0.41 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.75 3huj s ALA 93 Cb -0.11 0.87 0.05 0.00 0.00 0.00 0.00 23.12 23.92 3huj s ALA 93 CO 0.27 -0.78 0.48 -1.54 0.00 0.00 0.00 175.76 174.19 3huj s SER 94 N -2.90 -0.38 -0.03 0.00 1.04 -0.73 -0.43 113.70 110.27 3huj s SER 94 Ca 0.12 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.72 3huj s SER 94 Cb -0.00 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.57 3huj s SER 94 CO -0.01 -0.68 -0.12 -0.94 0.98 0.00 0.00 173.24 172.47 3huj s SER 95 N -1.90 1.56 0.24 7.02 1.04 -0.65 -0.46 113.70 120.56 3huj s SER 95 Ca -0.06 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 3huj s SER 95 Cb -0.01 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 3huj s SER 95 CO -0.01 0.11 0.24 -0.83 0.98 0.00 0.00 173.24 173.73 3huj s GLY 96 N 0.06 1.44 0.69 7.32 0.00 -0.80 -3.99 107.32 112.03 3huj s GLY 96 Ca -0.02 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 3huj s GLY 96 CO 0.01 -1.25 1.07 0.48 0.00 0.00 0.00 173.10 173.40 3huj s LEU 97 N -3.18 3.01 -0.11 0.66 2.34 -1.26 0.49 118.68 120.64 3huj s LEU 97 Ca 0.36 1.36 -0.10 0.00 0.06 0.00 0.00 54.13 55.81 3huj s LEU 97 Cb 0.04 -4.23 -0.03 0.00 -0.56 0.00 0.00 46.19 41.41 3huj s LEU 97 CO 0.15 -1.30 -0.19 -1.14 -1.06 0.00 0.00 176.35 172.81 3huj n ARG 98 N -3.01 0.34 -0.52 1.48 0.63 -1.26 -4.81 116.66 109.50 3huj n ARG 98 Ca 0.07 0.29 0.07 0.00 -0.92 0.00 0.00 57.85 57.36 3huj n ARG 98 Cb 0.55 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 32.16 3huj n ARG 98 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3huj n ASP 99 N -3.89 -4.12 -0.79 6.15 8.00 -1.26 -5.18 116.55 115.46 3huj n ASP 99 Ca -0.07 0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.99 3huj n ASP 99 Cb 0.28 -1.74 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 3huj n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3huj n LEU 102 N 0.00 0.00 -4.78 0.64 -0.00 -1.26 -5.03 117.00 106.57 3huj n LEU 102 Ca 0.00 0.48 -0.38 0.00 -0.00 0.00 0.00 56.01 56.11 3huj n LEU 102 Cb 0.24 -0.83 -0.06 0.00 -0.00 0.00 0.00 43.42 42.77 3huj n LEU 102 CO 0.00 0.00 0.55 -0.31 -0.00 0.00 0.00 177.39 177.64 3huj s TYR 103 N -0.70 3.80 -0.05 1.47 1.51 -1.26 -4.50 117.35 117.62 3huj s TYR 103 Ca 0.00 1.68 0.03 0.00 -1.01 0.00 0.00 57.07 57.78 3huj s TYR 103 Cb 0.00 -2.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 3huj s TYR 103 CO 0.00 0.37 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.66 3huj s GLU 105 N -1.61 1.76 0.18 -0.62 2.12 0.18 -4.93 118.70 115.78 3huj s GLU 105 Ca 0.43 -0.54 -0.17 0.00 0.36 0.00 0.00 54.97 55.04 3huj s GLU 105 Cb -0.21 -1.49 -0.08 0.00 0.26 0.00 0.00 34.13 32.61 3huj s GLU 105 CO 0.25 0.16 0.64 -1.14 -0.54 0.00 0.00 175.26 174.64 3huj s GLN 106 N 0.26 4.14 -0.02 4.30 0.74 -1.26 -1.91 119.66 125.90 3huj s GLN 106 Ca -0.08 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.06 3huj s GLN 106 Cb -0.13 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.05 3huj s GLN 106 CO 0.03 0.45 -0.06 0.71 -0.55 0.00 0.00 175.29 175.87 3huj s TYR 107 N -1.46 0.68 0.05 1.67 1.51 0.39 -4.98 117.35 115.22 3huj s TYR 107 Ca 0.40 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 3huj s TYR 107 Cb -0.16 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 3huj s TYR 107 CO 0.20 -0.07 0.06 -0.06 -1.11 0.00 0.00 175.55 174.57 3huj s PHE 108 N 0.18 3.16 0.85 2.71 0.40 -1.26 -1.77 117.98 122.24 3huj s PHE 108 Ca -0.02 0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.28 3huj s PHE 108 Cb -0.07 -1.64 0.13 0.00 0.51 0.00 0.00 43.02 41.96 3huj s PHE 108 CO -0.00 0.51 1.19 0.20 0.70 0.00 0.00 175.22 177.82 3huj s GLY 109 N -2.13 1.71 0.34 4.36 0.00 -0.16 -4.89 107.32 106.54 3huj s GLY 109 Ca 0.26 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 43.98 3huj s GLY 109 CO 0.18 -0.44 1.87 -2.55 0.00 0.00 0.00 173.10 172.15 3huj h PRO 110 N -1.17 0.50 0.00 2.90 0.11 -1.90 -3.44 132.00 129.01 3huj h PRO 110 Ca -0.44 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3huj h PRO 110 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3huj h PRO 110 CO 0.51 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 3huj n GLY 111 N -0.84 2.66 2.93 -0.55 0.00 -1.26 -5.03 105.19 103.10 3huj n GLY 111 Ca 0.01 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 3huj n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huj s THR 112 N -2.87 1.40 -0.37 2.61 2.01 -0.84 -4.55 115.64 113.03 3huj s THR 112 Ca 0.00 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 3huj s THR 112 Cb 0.00 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.93 3huj s THR 112 CO 0.00 0.03 1.08 -0.60 -0.69 0.00 0.00 174.62 174.44 3huj s ARG 113 N 1.48 3.94 -0.10 4.92 3.52 -0.66 -1.66 118.95 130.39 3huj s ARG 113 Ca -0.03 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 3huj s ARG 113 Cb -0.17 -3.79 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 3huj s ARG 113 CO -0.07 -1.05 -0.10 -1.17 -0.81 0.00 0.00 175.30 172.10 3huj s LEU 114 N 3.87 2.90 -0.11 -0.88 2.96 -0.49 -0.93 118.68 125.99 3huj s LEU 114 Ca 0.45 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3huj s LEU 114 Cb -0.11 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3huj s LEU 114 CO 0.20 0.24 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.50 3huj s THR 115 N -0.11 1.10 -0.40 3.68 2.01 -0.17 -2.02 115.64 119.72 3huj s THR 115 Ca -0.00 -0.34 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 3huj s THR 115 Cb -0.13 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.30 3huj s THR 115 CO 0.03 0.38 0.28 -0.69 -0.69 0.00 0.00 174.62 173.94 3huj s VAL 116 N 1.63 5.17 0.26 3.82 1.01 -1.26 -2.60 120.40 128.43 3huj s VAL 116 Ca 0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 3huj s VAL 116 Cb -0.13 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3huj s VAL 116 CO -0.08 -0.28 0.54 0.28 0.00 0.00 0.00 175.10 175.56 3huj s THR 117 N 1.67 5.01 0.28 3.92 -1.32 -0.58 -4.42 115.64 120.20 3huj s THR 117 Ca 0.05 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 3huj s THR 117 Cb -0.19 -3.69 0.28 0.00 -1.51 0.00 0.00 72.50 67.39 3huj s THR 117 CO 0.10 -0.23 1.87 -0.33 -2.21 0.00 0.00 174.62 173.81 3huj h GLU 118 N 1.98 1.03 -2.14 7.08 4.39 -1.97 -1.39 114.58 123.57 3huj h GLU 118 Ca -0.47 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 3huj h GLU 118 Cb 1.18 -0.23 -0.20 0.00 -0.10 0.00 0.00 28.75 29.40 3huj h GLU 118 CO 0.67 0.68 0.09 0.34 -1.16 0.00 0.00 179.01 179.64 3huj s ASP 119 N -5.84 -0.65 0.50 1.42 -1.08 -1.26 -4.47 116.67 105.30 3huj s ASP 119 Ca -0.12 1.01 0.22 0.00 -0.52 0.00 0.00 52.55 53.15 3huj s ASP 119 Cb 0.21 0.97 1.32 0.00 -1.46 0.00 0.00 42.92 43.95 3huj s ASP 119 CO 0.81 -0.40 2.06 -0.07 0.52 0.00 0.00 175.17 178.10 3huj h LEU 120 N 4.17 0.00 0.00 -1.34 3.38 -1.92 -2.31 115.31 117.29 3huj h LEU 120 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3huj h LEU 120 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3huj h LEU 120 CO 0.23 0.13 0.00 2.29 0.09 0.00 0.00 178.44 181.18 3huj n LYS 121 N -3.95 0.00 0.09 1.13 -0.00 -1.26 -1.83 118.16 112.34 3huj n LYS 121 Ca -0.02 0.34 0.12 0.00 -0.00 0.00 0.00 58.31 58.75 3huj n LYS 121 Cb 0.22 -1.50 0.45 0.00 -0.00 0.00 0.00 35.03 34.20 3huj n LYS 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3huj n ASN 122 N -1.50 0.54 -4.71 -5.58 3.02 -0.87 -4.85 115.26 101.32 3huj n ASN 122 Ca 0.02 0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 54.75 3huj n ASN 122 Cb 0.11 -0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 38.52 3huj n ASN 122 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3huj s VAL 123 N -3.17 4.89 -0.00 2.41 1.01 -0.76 -4.61 120.40 120.16 3huj s VAL 123 Ca 0.08 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3huj s VAL 123 Cb 0.11 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3huj s VAL 123 CO 0.45 0.14 -0.01 -0.36 0.00 0.00 0.00 175.10 175.32 3huj s PHE 124 N 1.20 0.14 0.69 5.22 0.08 -0.17 -4.75 117.98 120.40 3huj s PHE 124 Ca 0.48 -0.02 -0.12 0.00 0.12 0.00 0.00 56.93 57.38 3huj s PHE 124 Cb -0.20 -0.10 0.01 0.00 -0.57 0.00 0.00 43.02 42.17 3huj s PHE 124 CO 0.23 -0.01 1.08 -1.25 -0.10 0.00 0.00 175.22 175.17 3huj s PRO 125 N 0.02 2.80 0.44 0.24 0.04 -1.26 -1.95 135.00 135.33 3huj s PRO 125 Ca 0.00 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 3huj s PRO 125 Cb -0.01 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3huj s PRO 125 CO -0.00 -1.22 0.88 -1.25 0.04 0.00 0.00 177.00 175.45 3huj s PRO 126 N -4.66 3.92 0.08 0.56 0.04 -1.26 -4.34 135.00 129.35 3huj s PRO 126 Ca 0.61 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.26 3huj s PRO 126 Cb -0.16 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3huj s PRO 126 CO 0.49 -0.11 0.52 -1.21 0.04 0.00 0.00 177.00 176.73 3huj s GLU 127 N -3.77 4.05 -0.08 4.56 8.01 0.19 -4.89 118.70 126.76 3huj s GLU 127 Ca 0.56 0.57 0.03 0.00 0.01 0.00 0.00 54.97 56.14 3huj s GLU 127 Cb -0.10 -3.12 0.01 0.00 -4.31 0.00 0.00 34.13 26.61 3huj s GLU 127 CO 0.28 0.59 -0.18 0.08 0.01 0.00 0.00 175.26 176.04 3huj s VAL 128 N -1.24 1.57 0.02 2.63 1.01 -1.26 -0.50 120.40 122.63 3huj s VAL 128 Ca 0.31 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3huj s VAL 128 Cb -0.17 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3huj s VAL 128 CO 0.18 0.45 -0.12 0.00 0.00 0.00 0.00 175.10 175.61 3huj s ALA 129 N 0.52 1.01 -0.13 5.51 0.00 -0.99 -4.52 121.76 123.15 3huj s ALA 129 Ca -0.17 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 3huj s ALA 129 Cb -0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3huj s ALA 129 CO 0.06 0.21 0.00 0.08 0.00 0.00 0.00 175.76 176.11 3huj s VAL 130 N -0.61 4.30 -0.24 0.00 1.01 -1.26 -1.64 120.40 121.96 3huj s VAL 130 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3huj s VAL 130 Cb -0.06 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3huj s VAL 130 CO 0.00 0.53 0.08 -0.36 0.00 0.00 0.00 175.10 175.35 3huj s PHE 131 N -0.17 3.11 0.45 5.22 0.40 -0.16 -4.99 117.98 121.84 3huj s PHE 131 Ca 0.05 -0.32 -0.24 0.00 -0.60 0.00 0.00 56.93 55.82 3huj s PHE 131 Cb -0.13 -2.23 -0.08 0.00 0.51 0.00 0.00 43.02 41.10 3huj s PHE 131 CO 0.02 -0.28 1.28 -1.21 0.70 0.00 0.00 175.22 175.73 3huj s GLU 132 N 1.46 3.75 0.37 0.44 8.01 -1.26 -2.68 118.70 128.79 3huj s GLU 132 Ca 0.06 2.07 -0.27 0.00 0.01 0.00 0.00 54.97 56.84 3huj s GLU 132 Cb -0.15 -2.57 -0.11 0.00 -4.31 0.00 0.00 34.13 26.99 3huj s GLU 132 CO 0.04 -0.65 1.29 -2.30 0.01 0.00 0.00 175.26 173.65 3huj n PRO 133 N -0.26 2.09 -2.55 0.39 -0.02 -1.26 -4.92 135.00 128.47 3huj n PRO 133 Ca 0.06 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3huj n PRO 133 Cb 0.45 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 3huj n PRO 133 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3huj s SER 134 N -0.38 7.33 0.32 2.55 0.15 -1.26 -4.95 113.70 117.46 3huj s SER 134 Ca 0.57 2.10 0.01 0.00 0.70 0.00 0.00 55.95 59.33 3huj s SER 134 Cb -0.54 -2.61 0.55 0.00 -1.71 0.00 0.00 66.02 61.71 3huj s SER 134 CO 0.61 -0.15 1.93 -0.08 1.20 0.00 0.00 173.24 176.75 3huj h GLU 135 N 4.73 0.78 -0.15 5.44 4.22 -1.98 -2.02 114.58 125.59 3huj h GLU 135 Ca -0.45 -0.10 -0.04 0.00 0.08 0.00 0.00 59.36 58.85 3huj h GLU 135 Cb 1.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3huj h GLU 135 CO 0.71 0.62 -0.08 0.00 -2.18 0.00 0.00 179.01 178.07 3huj h ALA 136 N 1.50 1.60 -0.23 2.92 0.00 -1.99 -1.84 119.26 121.23 3huj h ALA 136 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3huj h ALA 136 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3huj h ALA 136 CO -0.02 0.29 -0.14 1.49 0.00 0.00 0.00 179.25 180.87 3huj h GLU 137 N 0.21 0.49 -0.82 0.00 4.81 -1.69 -2.57 114.58 115.02 3huj h GLU 137 Ca 0.05 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 3huj h GLU 137 Cb 0.28 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3huj h GLU 137 CO 0.01 0.78 0.40 0.82 -0.73 0.00 0.00 179.01 180.30 3huj h ILE 138 N 0.20 1.25 -0.21 2.32 2.04 -1.37 -0.13 117.51 121.62 3huj h ILE 138 Ca 0.05 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 3huj h ILE 138 Cb 0.65 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3huj h ILE 138 CO 0.04 0.30 -0.13 0.77 0.00 0.00 0.00 178.15 179.13 3huj h SER 139 N 1.17 0.33 0.12 1.72 4.64 -1.29 -0.20 113.55 120.04 3huj h SER 139 Ca 0.28 -0.08 -0.37 0.00 -0.47 0.00 0.00 61.79 61.16 3huj h SER 139 Cb 0.11 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3huj h SER 139 CO -0.04 0.49 -2.08 1.57 -0.87 0.00 0.00 176.83 175.90 3huj n HIS 140 N -4.24 0.99 -0.02 4.77 -0.00 -0.97 -4.65 115.22 111.10 3huj n HIS 140 Ca -0.00 0.22 0.02 0.00 -0.00 0.00 0.00 57.72 57.95 3huj n HIS 140 Cb 0.30 -1.13 -0.07 0.00 -0.00 0.00 0.00 29.99 29.08 3huj n HIS 140 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3huj n THR 141 N -3.41 0.20 -3.16 3.57 -2.24 -0.08 -5.00 114.28 104.17 3huj n THR 141 Ca -0.34 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 3huj n THR 141 Cb 1.04 -0.07 0.05 0.00 -2.10 0.00 0.00 70.33 69.25 3huj n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huj n GLN 142 N -2.00 -5.42 -3.95 -0.78 1.13 -0.09 -5.02 117.38 101.25 3huj n GLN 142 Ca -0.06 0.72 -0.10 0.00 -1.94 0.00 0.00 57.00 55.62 3huj n GLN 142 Cb 0.43 -5.30 -0.11 0.00 0.11 0.00 0.00 30.24 25.37 3huj n GLN 142 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3huj s LYS 143 N -5.81 0.28 -0.15 -1.09 1.02 -1.26 -2.27 119.74 110.47 3huj s LYS 143 Ca 0.38 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.89 3huj s LYS 143 Cb -0.17 0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 3huj s LYS 143 CO 0.47 -0.05 -0.18 0.00 -0.92 0.00 0.00 175.35 174.67 3huj s ALA 144 N -1.23 2.06 -0.30 5.17 0.00 -0.86 -3.36 121.76 123.24 3huj s ALA 144 Ca -0.13 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 3huj s ALA 144 Cb -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.01 3huj s ALA 144 CO -0.01 -0.22 0.10 0.99 0.00 0.00 0.00 175.76 176.63 3huj s THR 145 N 1.15 4.14 0.18 0.00 2.01 -1.26 -2.44 115.64 119.42 3huj s THR 145 Ca -0.01 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 3huj s THR 145 Cb -0.14 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 3huj s THR 145 CO -0.07 0.08 0.77 -0.76 -0.69 0.00 0.00 174.62 173.94 3huj s LEU 146 N 1.53 4.54 -0.18 4.42 1.02 0.14 -4.03 118.68 126.12 3huj s LEU 146 Ca 0.03 1.60 0.01 0.00 0.02 0.00 0.00 54.13 55.79 3huj s LEU 146 Cb -0.17 -3.36 0.03 0.00 0.02 0.00 0.00 46.19 42.70 3huj s LEU 146 CO 0.03 0.17 -0.17 -0.69 0.02 0.00 0.00 176.35 175.72 3huj s VAL 147 N -1.23 1.88 0.13 -1.59 1.01 -1.09 -0.78 120.40 118.72 3huj s VAL 147 Ca 0.37 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3huj s VAL 147 Cb -0.22 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 3huj s VAL 147 CO 0.25 0.44 0.51 0.00 0.00 0.00 0.00 175.10 176.30 3huj s LEU 149 N -1.94 0.64 -0.12 0.00 2.96 -0.65 -1.48 118.68 118.09 3huj s LEU 149 Ca 0.36 -1.15 -0.22 0.00 -0.22 0.00 0.00 54.13 52.91 3huj s LEU 149 Cb -0.15 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 3huj s LEU 149 CO 0.19 -0.41 0.65 0.00 -1.32 0.00 0.00 176.35 175.46 3huj s ALA 150 N 2.06 3.43 0.10 5.97 0.00 -0.27 -2.35 121.76 130.70 3huj s ALA 150 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3huj s ALA 150 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3huj s ALA 150 CO -0.29 -0.25 -0.09 0.95 0.00 0.00 0.00 175.76 176.08 3huj s THR 151 N 1.18 0.92 -0.64 0.00 -4.23 0.34 -1.02 115.64 112.19 3huj s THR 151 Ca 0.33 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 3huj s THR 151 Cb -0.17 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3huj s THR 151 CO 0.14 -0.62 0.16 0.61 -0.54 0.00 0.00 174.62 174.37 3huj n GLY 152 N 0.41 0.15 3.55 3.99 0.00 -0.96 -0.64 105.19 111.70 3huj n GLY 152 Ca -0.15 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3huj n GLY 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3huj s PHE 153 N -2.66 2.84 -0.00 1.61 -0.71 -1.08 -4.53 117.98 113.44 3huj s PHE 153 Ca 0.08 -0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 3huj s PHE 153 Cb -0.04 -1.64 -0.00 0.00 -1.21 0.00 0.00 43.02 40.13 3huj s PHE 153 CO 0.10 0.30 -0.01 -0.47 -1.34 0.00 0.00 175.22 173.80 3huj s TYR 154 N -0.85 0.12 0.88 3.49 5.04 -0.82 0.39 117.35 125.60 3huj s TYR 154 Ca 0.14 -0.02 -0.13 0.00 -2.44 0.00 0.00 57.07 54.61 3huj s TYR 154 Cb -0.11 -0.08 0.15 0.00 0.35 0.00 0.00 41.96 42.27 3huj s TYR 154 CO 0.03 -0.00 1.24 -1.25 -1.34 0.00 0.00 175.55 174.23 3huj s PRO 155 N -0.01 1.18 -0.56 4.97 0.04 -1.26 -0.99 135.00 138.36 3huj s PRO 155 Ca 0.00 -0.32 -0.05 0.00 0.04 0.00 0.00 61.00 60.68 3huj s PRO 155 Cb -0.01 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 3huj s PRO 155 CO -0.00 -2.04 2.11 -0.40 0.04 0.00 0.00 177.00 176.71 3huj n ASP 156 N -3.52 4.06 -4.07 6.66 5.75 -1.26 -4.71 116.55 119.46 3huj n ASP 156 Ca 0.13 -2.21 -0.35 0.00 -0.01 0.00 0.00 54.79 52.35 3huj n ASP 156 Cb 0.60 -0.96 -0.11 0.00 -1.03 0.00 0.00 41.12 39.61 3huj n ASP 156 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3huj s HIS 157 N 2.91 3.43 -0.14 2.11 3.76 -1.26 -4.99 115.29 121.11 3huj s HIS 157 Ca 0.37 -2.76 -0.19 0.00 -0.15 0.00 0.00 55.06 52.33 3huj s HIS 157 Cb 0.12 -3.11 0.05 0.00 1.11 0.00 0.00 32.58 30.75 3huj s HIS 157 CO -0.02 -0.86 0.50 0.54 -0.85 0.00 0.00 174.74 174.05 3huj s VAL 158 N 0.23 0.01 -0.11 -0.90 0.11 -1.26 -1.90 120.40 116.58 3huj s VAL 158 Ca 0.15 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.11 3huj s VAL 158 Cb -0.22 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 3huj s VAL 158 CO -0.03 -0.05 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.01 3huj s GLU 159 N -0.22 1.43 -0.16 1.54 2.02 0.41 -4.96 118.70 118.75 3huj s GLU 159 Ca -0.04 -0.22 -0.05 0.00 0.02 0.00 0.00 54.97 54.68 3huj s GLU 159 Cb -0.03 -1.51 -0.03 0.00 0.10 0.00 0.00 34.13 32.66 3huj s GLU 159 CO 0.03 -0.26 -0.01 -1.17 0.02 0.00 0.00 175.26 173.87 3huj s LEU 160 N 1.70 3.41 0.09 1.80 0.20 -1.26 0.88 118.68 125.49 3huj s LEU 160 Ca 0.04 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.80 3huj s LEU 160 Cb -0.13 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 3huj s LEU 160 CO -0.07 0.17 -0.06 -0.94 -0.29 0.00 0.00 176.35 175.15 3huj s SER 161 N 0.38 1.03 -0.06 3.68 1.04 0.06 -5.00 113.70 114.83 3huj s SER 161 Ca -0.02 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.48 3huj s SER 161 Cb -0.14 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 3huj s SER 161 CO 0.02 -0.45 -0.06 0.26 0.98 0.00 0.00 173.24 173.99 3huj s TRP 162 N -3.35 2.95 -0.22 5.02 0.52 -1.26 -0.55 118.94 122.05 3huj s TRP 162 Ca 0.08 0.03 -0.01 0.00 0.02 0.00 0.00 56.10 56.22 3huj s TRP 162 Cb 0.03 -1.70 0.06 0.00 -1.15 0.00 0.00 33.47 30.71 3huj s TRP 162 CO -0.05 0.35 0.01 -1.58 0.02 0.00 0.00 176.95 175.70 3huj s TRP 163 N -0.84 1.55 -0.22 -1.98 0.52 0.86 -1.68 118.94 117.15 3huj s TRP 163 Ca 0.13 -1.24 -0.06 0.00 0.02 0.00 0.00 56.10 54.95 3huj s TRP 163 Cb -0.11 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 30.91 3huj s TRP 163 CO 0.02 -0.69 0.03 0.08 0.02 0.00 0.00 176.95 176.41 3huj s VAL 164 N 1.68 4.06 -1.33 4.03 1.01 -0.54 -0.74 120.40 128.58 3huj s VAL 164 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3huj s VAL 164 Cb -0.18 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3huj s VAL 164 CO -0.09 0.39 0.12 0.59 0.00 0.00 0.00 175.10 176.11 3huj n ASN 165 N 4.55 -4.66 0.00 3.32 3.02 0.05 -2.29 115.26 119.26 3huj n ASN 165 Ca -0.17 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3huj n ASN 165 Cb 0.52 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 3huj n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3huj n GLY 166 N -0.98 0.64 3.18 7.41 0.00 -1.26 -5.05 105.19 109.14 3huj n GLY 166 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3huj n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj s LYS 167 N -0.20 2.13 0.05 1.61 1.02 -0.97 -5.08 119.74 118.30 3huj s LYS 167 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3huj s LYS 167 Cb 0.00 -1.81 -0.08 0.00 -0.52 0.00 0.00 37.83 35.42 3huj s LYS 167 CO 0.00 0.28 1.65 -2.00 -0.92 0.00 0.00 175.35 174.36 3huj s GLU 168 N 0.00 4.20 0.09 1.68 2.12 -1.26 -1.46 118.70 124.08 3huj s GLU 168 Ca -0.05 2.30 0.02 0.00 0.36 0.00 0.00 54.97 57.60 3huj s GLU 168 Cb -0.13 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 3huj s GLU 168 CO 0.03 -0.75 0.17 0.14 -0.54 0.00 0.00 175.26 174.31 3huj s VAL 169 N 2.88 4.96 0.00 3.70 -7.23 -0.68 -4.94 120.40 119.09 3huj s VAL 169 Ca 0.74 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 3huj s VAL 169 Cb -0.38 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.11 3huj s VAL 169 CO 0.32 0.07 0.00 1.41 -0.31 0.00 0.00 175.10 176.58 3huj n HIS 170 N 0.13 0.00 -2.31 2.82 -0.00 -1.26 -4.49 115.22 110.12 3huj n HIS 170 Ca -0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.27 3huj n HIS 170 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.49 3huj n HIS 170 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3huj s SER 171 N -2.99 6.52 0.00 0.41 0.15 -1.26 -3.32 113.70 113.21 3huj s SER 171 Ca 0.00 2.33 0.00 0.00 0.70 0.00 0.00 55.95 58.98 3huj s SER 171 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3huj s SER 171 CO 0.00 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.38 3huj n GLY 172 N 0.61 0.54 3.55 9.45 0.00 -1.26 -4.83 105.19 113.25 3huj n GLY 172 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3huj n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huj s VAL 173 N -2.30 3.97 -0.08 1.61 1.01 -1.21 -1.59 120.40 121.81 3huj s VAL 173 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 3huj s VAL 173 Cb 0.00 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.72 3huj s VAL 173 CO 0.00 0.53 0.12 0.00 0.00 0.00 0.00 175.10 175.75 3huj s THR 175 N 2.23 3.75 0.27 0.00 2.01 -1.26 -1.24 115.64 121.40 3huj s THR 175 Ca 0.04 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 3huj s THR 175 Cb -0.13 -2.57 -0.14 0.00 0.01 0.00 0.00 72.50 69.68 3huj s THR 175 CO -0.05 0.53 1.20 0.47 -0.69 0.00 0.00 174.62 176.08 3huj n ASP 176 N 1.99 2.04 -0.16 3.53 8.00 -0.99 -4.91 116.55 126.04 3huj n ASP 176 Ca -0.17 1.17 -0.06 0.00 0.71 0.00 0.00 54.79 56.45 3huj n ASP 176 Cb 0.53 -1.36 0.04 0.00 -0.02 0.00 0.00 41.12 40.30 3huj n ASP 176 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3huj h PRO 177 N 2.91 0.51 -4.50 -0.24 0.13 -1.98 -3.44 132.00 125.39 3huj h PRO 177 Ca -0.43 -0.03 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 3huj h PRO 177 Cb 1.31 -0.11 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 3huj h PRO 177 CO 0.66 0.34 -0.74 -0.65 -0.23 0.00 0.00 178.00 177.38 3huj s GLN 178 N -6.14 0.50 0.38 0.86 -1.52 -1.26 -5.15 119.66 107.33 3huj s GLN 178 Ca -0.13 -0.58 -0.24 0.00 -1.95 0.00 0.00 55.36 52.46 3huj s GLN 178 Cb 0.13 -0.34 -0.10 0.00 -0.22 0.00 0.00 33.01 32.48 3huj s GLN 178 CO 0.73 0.07 0.96 -1.25 -0.25 0.00 0.00 175.29 175.56 3huj s PRO 179 N -1.13 4.38 0.33 2.91 0.05 -1.26 -4.98 135.00 135.30 3huj s PRO 179 Ca -0.06 1.28 -0.01 0.00 0.05 0.00 0.00 61.00 62.26 3huj s PRO 179 Cb -0.08 -2.52 -0.04 0.00 0.05 0.00 0.00 34.50 31.91 3huj s PRO 179 CO 0.00 0.09 0.55 -0.48 0.05 0.00 0.00 177.00 177.21 3huj s LEU 180 N -2.58 4.02 -0.01 -3.56 2.34 -0.57 -4.80 118.68 113.52 3huj s LEU 180 Ca 0.56 0.53 -0.30 0.00 0.06 0.00 0.00 54.13 54.98 3huj s LEU 180 Cb -0.16 -3.38 -0.04 0.00 -0.56 0.00 0.00 46.19 42.05 3huj s LEU 180 CO 0.20 -0.27 1.20 -0.54 -1.06 0.00 0.00 176.35 175.88 3huj s LYS 181 N -4.10 4.39 0.27 1.48 1.02 -1.26 -0.76 119.74 120.77 3huj s LYS 181 Ca 0.41 1.71 0.07 0.00 0.02 0.00 0.00 55.97 58.17 3huj s LYS 181 Cb -0.10 -3.48 0.38 0.00 -0.52 0.00 0.00 37.83 34.11 3huj s LYS 181 CO 0.35 -0.36 1.64 0.93 -0.92 0.00 0.00 175.35 176.99 3huj h GLU 182 N 7.20 0.19 -2.42 1.68 5.08 -0.24 -3.37 114.58 122.70 3huj h GLU 182 Ca -0.37 -0.11 -0.59 0.00 -1.00 0.00 0.00 59.36 57.29 3huj h GLU 182 Cb 1.18 0.01 -0.38 0.00 0.50 0.00 0.00 28.75 30.06 3huj h GLU 182 CO 0.85 0.66 -0.95 -0.65 -1.00 0.00 0.00 179.01 177.92 3huj s GLN 183 N -3.92 0.91 0.45 2.33 -0.21 -1.26 -4.99 119.66 112.97 3huj s GLN 183 Ca -0.04 -2.05 0.20 0.00 0.02 0.00 0.00 55.36 53.50 3huj s GLN 183 Cb 0.13 -1.47 1.11 0.00 1.00 0.00 0.00 33.01 33.78 3huj s GLN 183 CO 0.78 -1.36 1.57 -1.35 -2.12 0.00 0.00 175.29 172.81 3huj h PRO 184 N 5.81 0.00 0.02 2.91 0.11 -1.94 -0.92 132.00 137.99 3huj h PRO 184 Ca 0.24 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 3huj h PRO 184 Cb 0.91 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.04 3huj h PRO 184 CO 0.37 0.00 -0.74 0.00 -0.21 0.00 0.00 178.00 177.42 3huj h ALA 185 N 1.34 0.06 -2.45 -0.75 0.00 -1.96 -3.45 119.26 112.04 3huj h ALA 185 Ca 0.00 -0.62 -0.54 0.00 0.00 0.00 0.00 54.91 53.76 3huj h ALA 185 Cb 0.56 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3huj h ALA 185 CO 0.00 0.43 0.78 -1.17 0.00 0.00 0.00 179.25 179.29 3huj s LEU 186 N -8.22 4.34 0.22 0.00 2.96 -0.35 -4.93 118.68 112.70 3huj s LEU 186 Ca -0.12 2.21 -0.08 0.00 -0.22 0.00 0.00 54.13 55.92 3huj s LEU 186 Cb 0.04 -3.57 0.35 0.00 0.50 0.00 0.00 46.19 43.50 3huj s LEU 186 CO 0.85 -0.69 1.73 -1.13 -1.32 0.00 0.00 176.35 175.79 3huj h ASN 187 N 7.41 0.18 -2.60 3.68 -0.00 -1.87 -2.42 115.58 119.97 3huj h ASN 187 Ca -0.40 0.10 -0.68 0.00 -0.00 0.00 0.00 56.30 55.32 3huj h ASN 187 Cb 1.19 0.10 -0.37 0.00 -0.00 0.00 0.00 38.32 39.24 3huj h ASN 187 CO 0.88 0.09 -0.11 0.47 -0.00 0.00 0.00 177.43 178.76 3huj n ASP 188 N -5.04 4.61 -4.86 1.15 9.92 -1.26 -5.06 116.55 116.01 3huj n ASP 188 Ca 0.11 -3.39 -0.31 0.00 -0.53 0.00 0.00 54.79 50.67 3huj n ASP 188 Cb 0.34 -0.91 -0.03 0.00 -0.64 0.00 0.00 41.12 39.88 3huj n ASP 188 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3huj s SER 189 N -1.92 6.57 0.86 -2.24 1.04 -0.91 -5.06 113.70 112.04 3huj s SER 189 Ca 0.35 1.32 -0.12 0.00 0.48 0.00 0.00 55.95 57.98 3huj s SER 189 Cb 0.08 -2.40 0.11 0.00 0.10 0.00 0.00 66.02 63.91 3huj s SER 189 CO 0.00 -0.47 1.12 -0.13 0.98 0.00 0.00 173.24 174.74 3huj s ARG 190 N -3.90 1.55 0.28 4.02 0.52 -1.26 -4.80 118.95 115.37 3huj s ARG 190 Ca 0.54 0.46 0.11 0.00 -0.52 0.00 0.00 55.73 56.33 3huj s ARG 190 Cb -0.10 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 3huj s ARG 190 CO 0.31 -1.95 -0.16 0.71 0.02 0.00 0.00 175.30 174.23 3huj s TYR 191 N -3.21 2.37 0.00 -0.53 2.02 0.16 0.52 117.35 118.68 3huj s TYR 191 Ca 0.62 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 3huj s TYR 191 Cb -0.15 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 3huj s TYR 191 CO 0.54 0.69 -0.08 0.00 -1.57 0.00 0.00 175.55 175.13 3huj s ALA 192 N -2.48 0.67 -0.04 3.71 0.00 0.06 -2.26 121.76 121.42 3huj s ALA 192 Ca 0.30 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3huj s ALA 192 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3huj s ALA 192 CO 0.16 0.14 -0.13 -1.17 0.00 0.00 0.00 175.76 174.76 3huj s LEU 193 N -0.40 1.81 0.16 0.00 2.96 -0.19 -1.52 118.68 121.51 3huj s LEU 193 Ca 0.01 -0.29 0.09 0.00 -0.22 0.00 0.00 54.13 53.72 3huj s LEU 193 Cb -0.04 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 3huj s LEU 193 CO -0.00 0.10 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.08 3huj s SER 194 N 0.22 4.22 0.12 3.68 1.04 -1.26 -1.12 113.70 120.60 3huj s SER 194 Ca -0.06 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 3huj s SER 194 Cb -0.11 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 3huj s SER 194 CO 0.02 0.12 0.19 -0.55 0.98 0.00 0.00 173.24 174.00 3huj s SER 195 N -2.66 0.15 0.00 7.02 0.15 -0.55 -2.35 113.70 115.46 3huj s SER 195 Ca 0.24 -0.86 0.03 0.00 0.70 0.00 0.00 55.95 56.05 3huj s SER 195 Cb -0.09 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 3huj s SER 195 CO 0.14 -0.79 -0.09 -0.13 1.20 0.00 0.00 173.24 173.58 3huj s ARG 196 N -3.94 0.68 -0.08 5.44 0.52 -0.37 -0.44 118.95 120.75 3huj s ARG 196 Ca 0.13 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 3huj s ARG 196 Cb 0.05 -0.64 0.02 0.00 0.52 0.00 0.00 34.95 34.90 3huj s ARG 196 CO -0.04 0.17 -0.10 -1.17 0.02 0.00 0.00 175.30 174.17 3huj s LEU 197 N -0.43 1.47 -0.15 2.53 2.96 0.04 -1.93 118.68 123.17 3huj s LEU 197 Ca 0.02 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3huj s LEU 197 Cb -0.04 -0.83 0.02 0.00 0.50 0.00 0.00 46.19 45.84 3huj s LEU 197 CO -0.00 -0.03 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.23 3huj s ARG 198 N 1.06 2.59 0.29 1.98 3.52 -0.62 0.24 118.95 128.02 3huj s ARG 198 Ca -0.07 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 3huj s ARG 198 Cb -0.15 -2.23 -0.06 0.00 -1.56 0.00 0.00 34.95 30.95 3huj s ARG 198 CO -0.01 -0.15 0.01 0.08 -0.81 0.00 0.00 175.30 174.43 3huj s VAL 199 N 1.19 1.28 0.76 7.11 1.01 -1.02 -4.53 120.40 126.21 3huj s VAL 199 Ca 0.00 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 59.79 3huj s VAL 199 Cb -0.14 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.68 3huj s VAL 199 CO -0.07 -0.15 1.15 -1.54 0.00 0.00 0.00 175.10 174.48 3huj n SER 200 N -0.60 1.04 -0.10 3.32 3.41 -1.26 -2.02 113.62 117.41 3huj n SER 200 Ca -0.04 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3huj n SER 200 Cb 0.65 -1.49 0.49 0.00 -0.26 0.00 0.00 64.21 63.60 3huj n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huj h ALA 201 N -0.52 2.01 -0.32 7.33 0.00 -1.76 -1.96 119.26 124.04 3huj h ALA 201 Ca -0.47 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 3huj h ALA 201 Cb 1.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3huj h ALA 201 CO 0.47 -0.15 -0.39 1.15 0.00 0.00 0.00 179.25 180.34 3huj h THR 202 N 0.43 1.29 -0.58 0.00 2.02 -1.90 -0.89 112.91 113.28 3huj h THR 202 Ca 0.29 -1.57 -0.09 0.00 0.77 0.00 0.00 66.41 65.81 3huj h THR 202 Cb 0.56 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3huj h THR 202 CO -0.08 0.51 -0.01 0.15 0.37 0.00 0.00 175.52 176.46 3huj h PHE 203 N 0.60 1.10 0.00 3.16 3.04 -1.72 -2.08 116.94 121.03 3huj h PHE 203 Ca 0.04 -0.18 -0.16 0.00 3.98 0.00 0.00 57.97 61.65 3huj h PHE 203 Cb 0.98 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 3huj h PHE 203 CO 0.07 0.98 -0.76 2.35 -2.02 0.00 0.00 178.31 178.92 3huj h TRP 204 N 0.92 0.00 0.00 0.41 2.91 -1.48 -3.19 115.95 115.52 3huj h TRP 204 Ca 0.17 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 3huj h TRP 204 Cb 0.55 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 3huj h TRP 204 CO 0.04 0.76 -0.21 0.37 -1.03 0.00 0.00 178.44 178.37 3huj h GLN 205 N 0.00 0.00 -6.30 2.65 5.75 -0.73 -2.45 115.11 114.04 3huj h GLN 205 Ca -0.01 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.95 3huj h GLN 205 Cb 1.38 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 3huj h GLN 205 CO 0.10 0.21 1.02 1.21 -2.65 0.00 0.00 178.83 178.72 3huj s ASN 206 N -6.57 6.71 0.33 -0.69 3.84 -0.82 -3.52 114.94 114.21 3huj s ASN 206 Ca -0.03 2.21 0.26 0.00 0.21 0.00 0.00 52.86 55.51 3huj s ASN 206 Cb 0.14 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.39 3huj s ASN 206 CO 0.65 -0.87 1.77 -0.65 -2.79 0.00 0.00 177.10 175.21 3huj h PRO 207 N 9.00 0.00 0.00 0.43 0.11 -1.84 -3.13 132.00 136.57 3huj h PRO 207 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3huj h PRO 207 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3huj h PRO 207 CO 0.94 0.00 -0.63 0.54 -0.21 0.00 0.00 178.00 178.65 3huj n ARG 208 N -2.42 0.10 -2.78 1.05 5.12 -1.26 -4.46 116.66 112.01 3huj n ARG 208 Ca 0.01 0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.54 3huj n ARG 208 Cb 0.23 -1.55 -0.04 0.00 -1.16 0.00 0.00 32.46 29.94 3huj n ARG 208 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3huj s ASN 209 N -3.36 7.44 -0.11 0.55 0.01 -1.18 -4.99 114.94 113.30 3huj s ASN 209 Ca 0.09 1.73 0.04 0.00 -0.71 0.00 0.00 52.86 54.00 3huj s ASN 209 Cb 0.16 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.26 3huj s ASN 209 CO 0.73 -0.05 -0.23 -2.28 -1.51 0.00 0.00 177.10 173.75 3huj s HIS 210 N 0.00 2.58 -0.14 2.20 5.65 -1.26 -1.97 115.29 122.35 3huj s HIS 210 Ca 0.45 -1.10 0.02 0.00 0.25 0.00 0.00 55.06 54.69 3huj s HIS 210 Cb -0.23 -1.73 0.01 0.00 -1.18 0.00 0.00 32.58 29.45 3huj s HIS 210 CO 0.29 -0.45 -0.21 -0.06 -0.65 0.00 0.00 174.74 173.66 3huj s PHE 211 N 0.42 2.69 -0.07 3.88 0.40 -0.63 -0.77 117.98 123.92 3huj s PHE 211 Ca -0.17 -1.31 0.01 0.00 -0.60 0.00 0.00 56.93 54.87 3huj s PHE 211 Cb -0.18 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.54 3huj s PHE 211 CO 0.07 -0.60 -0.08 0.50 0.70 0.00 0.00 175.22 175.81 3huj s ARG 212 N 0.83 1.28 -0.24 0.44 3.52 0.08 -1.21 118.95 123.66 3huj s ARG 212 Ca -0.06 -0.24 -0.13 0.00 -0.13 0.00 0.00 55.73 55.16 3huj s ARG 212 Cb -0.15 -1.20 -0.04 0.00 -1.56 0.00 0.00 34.95 31.99 3huj s ARG 212 CO -0.02 -0.08 0.28 0.00 -0.81 0.00 0.00 175.30 174.67 3huj s GLN 214 N 1.47 3.02 -0.24 0.00 0.74 0.29 -1.86 119.66 123.07 3huj s GLN 214 Ca 0.13 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.89 3huj s GLN 214 Cb -0.15 -2.56 0.06 0.00 1.10 0.00 0.00 33.01 31.47 3huj s GLN 214 CO 0.08 0.41 -0.05 0.08 -0.55 0.00 0.00 175.29 175.26 3huj s VAL 215 N -0.17 1.64 -0.53 1.34 1.01 -0.27 -0.76 120.40 122.67 3huj s VAL 215 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 3huj s VAL 215 Cb -0.13 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.38 3huj s VAL 215 CO 0.03 -0.12 0.96 -1.58 0.00 0.00 0.00 175.10 174.39 3huj s GLN 216 N 1.34 3.39 0.00 2.72 2.00 0.25 -1.38 119.66 127.98 3huj s GLN 216 Ca -0.05 -0.12 -0.10 0.00 -2.00 0.00 0.00 55.36 53.08 3huj s GLN 216 Cb -0.19 -4.02 -0.05 0.00 0.80 0.00 0.00 33.01 29.55 3huj s GLN 216 CO -0.07 -1.45 0.33 0.12 -0.50 0.00 0.00 175.29 173.73 3huj s PHE 217 N 4.01 3.64 -0.26 1.67 5.36 0.24 -0.45 117.98 132.19 3huj s PHE 217 Ca 0.33 0.77 0.02 0.00 -0.96 0.00 0.00 56.93 57.09 3huj s PHE 217 Cb -0.11 -2.13 0.05 0.00 -0.34 0.00 0.00 43.02 40.49 3huj s PHE 217 CO 0.21 0.62 -0.09 0.71 -1.46 0.00 0.00 175.22 175.22 3huj s TYR 218 N -1.20 3.22 0.00 10.12 1.51 -0.80 -1.84 117.35 128.37 3huj s TYR 218 Ca 0.25 -2.13 0.00 0.00 -1.01 0.00 0.00 57.07 54.18 3huj s TYR 218 Cb -0.14 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 3huj s TYR 218 CO 0.14 -0.85 0.00 0.41 -1.11 0.00 0.00 175.55 174.14 3huj n GLY 219 N 4.50 5.07 3.79 0.71 0.00 -1.26 -4.72 105.19 113.28 3huj n GLY 219 Ca -0.14 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 3huj n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huj s LEU 220 N 0.00 3.07 0.00 0.99 1.02 -0.47 -4.44 118.68 118.85 3huj s LEU 220 Ca 0.00 1.72 0.00 0.00 0.02 0.00 0.00 54.13 55.87 3huj s LEU 220 Cb 0.00 -4.50 -0.00 0.00 0.02 0.00 0.00 46.19 41.71 3huj s LEU 220 CO 0.00 -1.75 0.01 -1.54 0.02 0.00 0.00 176.35 173.09 3huj n SER 221 N -3.33 1.94 -0.17 2.29 3.41 -1.26 -2.71 113.62 113.79 3huj n SER 221 Ca 0.08 -1.52 -0.02 0.00 -0.26 0.00 0.00 58.87 57.16 3huj n SER 221 Cb 0.53 0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.68 3huj n SER 221 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3huj h GLU 222 N 0.00 0.15 -0.36 4.33 3.07 -2.03 -2.90 114.58 116.83 3huj h GLU 222 Ca -0.09 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3huj h GLU 222 Cb 0.30 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3huj h GLU 222 CO 0.15 0.10 0.00 0.09 -1.40 0.00 0.00 179.01 177.95 3huj n ASN 223 N -5.20 1.92 -4.74 1.42 4.13 -1.26 -4.81 115.26 106.71 3huj n ASN 223 Ca 0.06 -2.01 -0.38 0.00 1.68 0.00 0.00 54.58 53.93 3huj n ASN 223 Cb 0.28 -0.24 -0.06 0.00 -1.54 0.00 0.00 39.78 38.22 3huj n ASN 223 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3huj s ASP 224 N -0.99 6.78 0.10 6.41 1.01 -1.10 -5.06 116.67 123.82 3huj s ASP 224 Ca 0.24 0.93 -0.30 0.00 0.71 0.00 0.00 52.55 54.12 3huj s ASP 224 Cb 0.12 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.69 3huj s ASP 224 CO 0.16 0.05 1.12 -0.70 0.21 0.00 0.00 175.17 176.01 3huj s GLU 225 N 0.28 4.52 -0.14 8.23 -6.30 -1.26 -4.87 118.70 119.17 3huj s GLU 225 Ca 0.28 1.69 -0.06 0.00 -2.50 0.00 0.00 54.97 54.37 3huj s GLU 225 Cb -0.16 -3.34 0.06 0.00 0.00 0.00 0.00 34.13 30.69 3huj s GLU 225 CO 0.13 -0.08 0.31 -0.46 0.02 0.00 0.00 175.26 175.17 3huj s TRP 226 N 0.51 -0.46 -0.28 5.30 -0.11 -1.26 -5.05 118.94 117.59 3huj s TRP 226 Ca 0.54 1.03 0.21 0.00 1.22 0.00 0.00 56.10 59.09 3huj s TRP 226 Cb -0.28 0.12 0.49 0.00 -1.50 0.00 0.00 33.47 32.30 3huj s TRP 226 CO 0.31 -0.31 1.05 0.25 -4.62 0.00 0.00 176.95 173.63 3huj n THR 227 N 4.52 1.16 -4.19 5.86 -2.24 -1.26 -5.09 114.28 113.04 3huj n THR 227 Ca -0.20 -2.97 -0.23 0.00 -2.27 0.00 0.00 64.05 58.38 3huj n THR 227 Cb 0.53 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 3huj n THR 227 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3huj s GLN 228 N -3.54 2.50 0.14 -0.78 -1.52 -1.26 -5.06 119.66 110.13 3huj s GLN 228 Ca 0.27 -1.33 -0.10 0.00 -1.95 0.00 0.00 55.36 52.25 3huj s GLN 228 Cb 0.37 -2.29 -0.06 0.00 -0.22 0.00 0.00 33.01 30.82 3huj s GLN 228 CO -0.01 0.33 1.43 -0.44 -0.25 0.00 0.00 175.29 176.34 3huj h ASP 229 N 1.70 0.94 -4.13 5.90 3.32 -2.07 -3.44 116.42 118.64 3huj h ASP 229 Ca -0.45 -0.50 -0.51 0.00 0.02 0.00 0.00 57.03 55.59 3huj h ASP 229 Cb 1.25 -0.27 0.09 0.00 0.22 0.00 0.00 39.33 40.61 3huj h ASP 229 CO 0.61 1.29 0.41 0.00 -1.72 0.00 0.00 179.24 179.83 3huj s ARG 230 N -4.14 3.11 0.29 3.56 1.70 -1.26 -4.95 118.95 117.26 3huj s ARG 230 Ca -0.10 1.54 -0.30 0.00 -0.47 0.00 0.00 55.73 56.40 3huj s ARG 230 Cb 0.10 -1.98 -0.13 0.00 -0.57 0.00 0.00 34.95 32.38 3huj s ARG 230 CO 0.89 -1.03 1.40 0.00 -1.08 0.00 0.00 175.30 175.47 3huj n ALA 231 N -1.75 1.45 -1.70 7.88 0.00 -1.26 -4.85 120.51 120.27 3huj n ALA 231 Ca 0.11 0.38 -0.55 0.00 0.00 0.00 0.00 53.44 53.39 3huj n ALA 231 Cb 0.51 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3huj n ALA 231 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3huj n LYS 232 N 1.46 1.43 -1.25 0.00 4.81 -1.26 -4.81 118.16 118.54 3huj n LYS 232 Ca 0.08 0.52 -0.41 0.00 -0.87 0.00 0.00 58.31 57.64 3huj n LYS 232 Cb 0.34 -2.25 -0.06 0.00 0.02 0.00 0.00 35.03 33.08 3huj n LYS 232 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3huj n PRO 233 N 5.62 1.39 -2.36 1.64 -0.04 -1.26 -4.92 135.00 135.06 3huj n PRO 233 Ca 0.25 -1.88 -0.27 0.00 -0.04 0.00 0.00 63.50 61.57 3huj n PRO 233 Cb 0.18 -3.03 0.03 0.00 -0.04 0.00 0.00 33.50 30.64 3huj n PRO 233 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3huj s VAL 234 N 6.26 3.60 -0.14 0.52 -7.23 -1.26 -1.37 120.40 120.78 3huj s VAL 234 Ca 0.60 0.02 -0.36 0.00 -1.81 0.00 0.00 61.98 60.43 3huj s VAL 234 Cb 0.12 -3.44 -0.13 0.00 0.56 0.00 0.00 36.38 33.49 3huj s VAL 234 CO 0.14 -0.46 1.84 0.41 -0.31 0.00 0.00 175.10 176.72 3huj n THR 235 N -2.62 0.49 -3.86 5.32 -1.04 -1.10 -4.40 114.28 107.07 3huj n THR 235 Ca 0.05 -0.09 -0.07 0.00 -2.04 0.00 0.00 64.05 61.90 3huj n THR 235 Cb 0.58 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 67.39 3huj n THR 235 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3huj s GLN 236 N 3.85 1.83 -0.19 -2.82 -2.07 -0.77 -4.92 119.66 114.58 3huj s GLN 236 Ca 0.94 -1.07 -0.03 0.00 -1.82 0.00 0.00 55.36 53.38 3huj s GLN 236 Cb -0.80 0.60 -0.02 0.00 -1.09 0.00 0.00 33.01 31.71 3huj s GLN 236 CO 0.55 -0.84 -0.05 0.42 -1.32 0.00 0.00 175.29 174.05 3huj s ILE 237 N -3.73 3.50 -0.11 3.63 1.01 -1.26 -0.59 121.20 123.65 3huj s ILE 237 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3huj s ILE 237 Cb -0.06 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3huj s ILE 237 CO 0.08 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.66 3huj s VAL 238 N 0.98 3.12 0.19 2.92 1.01 -0.48 -4.96 120.40 123.18 3huj s VAL 238 Ca -0.00 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3huj s VAL 238 Cb -0.15 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3huj s VAL 238 CO 0.01 0.54 -0.10 -0.44 0.00 0.00 0.00 175.10 175.11 3huj s SER 239 N 0.08 2.11 0.02 3.32 0.01 -1.26 -1.11 113.70 116.87 3huj s SER 239 Ca -0.05 -1.06 -0.08 0.00 1.31 0.00 0.00 55.95 56.07 3huj s SER 239 Cb -0.15 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.03 3huj s SER 239 CO 0.04 -0.31 0.16 0.00 0.41 0.00 0.00 173.24 173.54 3huj s ALA 240 N -3.21 -0.30 0.20 1.44 0.00 -0.78 -4.71 121.76 114.40 3huj s ALA 240 Ca 0.21 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 3huj s ALA 240 Cb 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3huj s ALA 240 CO 0.04 -0.30 0.26 -1.83 0.00 0.00 0.00 175.76 173.93 3huj s GLU 241 N -2.14 1.26 0.09 0.00 -1.05 -1.26 -0.52 118.70 115.07 3huj s GLU 241 Ca -0.09 -1.39 -0.23 0.00 -0.15 0.00 0.00 54.97 53.12 3huj s GLU 241 Cb -0.03 0.35 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 3huj s GLU 241 CO -0.02 -0.45 0.55 0.00 0.95 0.00 0.00 175.26 176.28 3huj s ALA 242 N -4.06 -1.41 0.04 -0.84 0.00 -0.35 -4.82 121.76 110.32 3huj s ALA 242 Ca 0.27 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3huj s ALA 242 Cb 0.04 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 3huj s ALA 242 CO 0.07 -0.60 0.01 -1.58 0.00 0.00 0.00 175.76 173.66 3huj s TRP 243 N -2.96 3.08 0.28 0.00 0.52 -1.26 -1.60 118.94 117.00 3huj s TRP 243 Ca -0.03 0.05 -0.30 0.00 0.02 0.00 0.00 56.10 55.85 3huj s TRP 243 Cb -0.00 -1.63 -0.13 0.00 -1.15 0.00 0.00 33.47 30.56 3huj s TRP 243 CO -0.06 0.48 1.43 0.41 0.02 0.00 0.00 176.95 179.23 3huj n GLY 244 N 1.02 0.89 3.71 0.98 0.00 -0.83 -5.00 105.19 105.95 3huj n GLY 244 Ca -0.13 0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 3huj n GLY 244 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3huj s ARG 245 N -0.86 3.05 0.08 1.61 3.52 -0.92 -4.00 118.95 121.43 3huj s ARG 245 Ca 0.63 -0.37 -0.14 0.00 -0.13 0.00 0.00 55.73 55.73 3huj s ARG 245 Cb -0.58 -2.85 -0.18 0.00 -1.56 0.00 0.00 34.95 29.77 3huj s ARG 245 CO 0.53 0.71 1.26 0.00 -0.81 0.00 0.00 175.30 176.99 3huj h ALA 246 N 5.14 0.24 0.00 6.12 0.00 -1.84 -3.36 119.26 125.56 3huj h ALA 246 Ca -0.51 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3huj h ALA 246 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3huj h ALA 246 CO 0.55 0.61 0.00 -0.40 0.00 0.00 0.00 179.25 180.01