#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhg s MET 3 N 0.00 2.87 -0.10 0.00 1.00 -1.26 -5.12 119.30 116.69 3dhg s MET 3 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 55.69 54.94 3dhg s MET 3 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 34.83 32.06 3dhg s MET 3 CO 0.00 0.64 0.49 -1.01 0.00 0.00 0.00 175.02 175.14 3dhg s HIS 4 N -1.10 3.53 0.37 -0.03 4.02 -1.26 -5.03 115.29 115.79 3dhg s HIS 4 Ca 0.20 0.93 -0.27 0.00 1.02 0.00 0.00 55.06 56.93 3dhg s HIS 4 Cb -0.12 -2.55 -0.11 0.00 -1.02 0.00 0.00 32.58 28.78 3dhg s HIS 4 CO 0.11 0.20 1.32 -0.35 1.02 0.00 0.00 174.74 177.04 3dhg n PRO 5 N 3.54 2.18 -0.33 8.40 -0.04 -1.26 -4.89 135.00 142.61 3dhg n PRO 5 Ca -0.07 0.77 0.18 0.00 -0.04 0.00 0.00 63.50 64.33 3dhg n PRO 5 Cb 0.52 -2.41 0.35 0.00 -0.04 0.00 0.00 33.50 31.92 3dhg n PRO 5 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3dhg h ARG 6 N 2.50 0.05 0.00 0.54 2.43 -2.00 -0.76 114.38 117.14 3dhg h ARG 6 Ca -0.47 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3dhg h ARG 6 Cb 1.28 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3dhg h ARG 6 CO 0.62 0.03 -0.01 1.57 -1.51 0.00 0.00 179.97 180.68 3dhg h LYS 7 N 0.05 0.00 0.00 0.20 2.10 -2.00 -0.65 116.57 116.27 3dhg h LYS 7 Ca 0.64 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.19 3dhg h LYS 7 Cb 1.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.72 3dhg h LYS 7 CO -0.83 0.01 -0.48 -0.44 -2.00 0.00 0.00 179.45 175.71 3dhg h ASP 8 N 0.00 0.00 0.00 7.07 3.32 -1.48 -3.36 116.42 121.97 3dhg h ASP 8 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dhg h ASP 8 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3dhg h ASP 8 CO 0.00 0.48 0.00 -2.67 -1.72 0.00 0.00 179.24 175.33 3dhg n TRP 9 N -3.54 0.00 0.22 4.55 4.27 -1.02 -4.82 117.44 117.09 3dhg n TRP 9 Ca -0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 3dhg n TRP 9 Cb 0.58 0.00 0.48 0.00 -1.36 0.00 0.00 31.31 31.01 3dhg n TRP 9 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 3dhg h TYR 10 N 0.00 0.00 -0.86 -2.67 3.20 -1.27 -2.01 116.97 113.36 3dhg h TYR 10 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3dhg h TYR 10 Cb 0.07 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3dhg h TYR 10 CO 0.00 0.22 0.53 1.49 -1.64 0.00 0.00 178.16 178.76 3dhg h GLU 11 N 0.00 1.16 -0.14 1.82 4.57 -1.84 -1.57 114.58 118.57 3dhg h GLU 11 Ca -0.00 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3dhg h GLU 11 Cb 0.40 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3dhg h GLU 11 CO 0.03 0.80 0.12 -0.07 -1.18 0.00 0.00 179.01 178.70 3dhg h LEU 12 N 1.18 0.00 -2.43 1.64 3.38 -1.73 -2.45 115.31 114.90 3dhg h LEU 12 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 3dhg h LEU 12 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3dhg h LEU 12 CO -0.06 0.00 -0.00 0.71 0.09 0.00 0.00 178.44 179.18 3dhg h THR 13 N 0.00 0.56 0.00 0.22 1.35 -1.36 -2.85 112.91 110.83 3dhg h THR 13 Ca 0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3dhg h THR 13 Cb 0.30 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3dhg h THR 13 CO -0.00 0.00 -0.11 -2.11 -0.25 0.00 0.00 175.52 173.06 3dhg n ARG 14 N -3.89 1.06 -2.42 4.72 1.85 -0.95 -4.79 116.66 112.23 3dhg n ARG 14 Ca -0.03 -2.19 -0.43 0.00 -1.00 0.00 0.00 57.85 54.21 3dhg n ARG 14 Cb 0.09 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3dhg n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dhg n ALA 15 N -1.09 4.91 -0.69 2.89 0.00 -1.03 -4.57 120.51 120.93 3dhg n ALA 15 Ca 0.12 -4.21 0.00 0.00 0.00 0.00 0.00 53.44 49.34 3dhg n ALA 15 Cb 0.64 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.98 3dhg n ALA 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dhg n THR 16 N 4.06 0.04 -2.50 0.00 -2.24 -1.26 -5.03 114.28 107.34 3dhg n THR 16 Ca 0.41 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.62 3dhg n THR 16 Cb 0.39 1.60 -0.04 0.00 -2.10 0.00 0.00 70.33 70.17 3dhg n THR 16 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3dhg s ASN 17 N -0.04 7.30 0.15 3.42 -0.87 -1.26 -5.05 114.94 118.60 3dhg s ASN 17 Ca 0.00 2.24 -0.05 0.00 -1.57 0.00 0.00 52.86 53.48 3dhg s ASN 17 Cb 0.00 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.25 38.58 3dhg s ASN 17 CO 0.00 -0.11 0.18 -1.66 -2.57 0.00 0.00 177.10 172.93 3dhg s TRP 18 N -1.17 0.61 -0.44 2.20 -2.14 -1.26 -5.12 118.94 111.62 3dhg s TRP 18 Ca 0.44 -0.98 -0.22 0.00 2.66 0.00 0.00 56.10 58.01 3dhg s TRP 18 Cb -0.31 -0.25 0.02 0.00 -3.10 0.00 0.00 33.47 29.83 3dhg s TRP 18 CO 0.40 -0.63 0.70 0.99 -2.66 0.00 0.00 176.95 175.75 3dhg s THR 19 N -4.00 4.76 0.60 0.66 2.01 -1.26 -5.04 115.64 113.36 3dhg s THR 19 Ca 0.20 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 3dhg s THR 19 Cb 0.05 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 3dhg s THR 19 CO 0.01 -0.63 1.23 -2.16 -0.69 0.00 0.00 174.62 172.38 3dhg s PRO 20 N 2.99 2.93 0.00 4.92 0.04 -1.26 -4.96 135.00 139.66 3dhg s PRO 20 Ca 0.25 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3dhg s PRO 20 Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3dhg s PRO 20 CO 0.20 -1.26 0.00 0.43 0.04 0.00 0.00 177.00 176.42 3dhg n SER 21 N -1.58 1.16 -0.02 6.66 7.64 -1.26 -4.76 113.62 121.46 3dhg n SER 21 Ca 0.14 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.04 3dhg n SER 21 Cb 0.49 0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.76 3dhg n SER 21 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3dhg n TYR 22 N -0.47 0.27 -4.44 1.43 4.01 -1.26 -4.88 117.16 111.82 3dhg n TYR 22 Ca 0.00 0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 3dhg n TYR 22 Cb 0.03 -0.81 -0.10 0.00 -0.31 0.00 0.00 39.34 38.14 3dhg n TYR 22 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3dhg s VAL 23 N -3.06 1.53 0.63 -0.72 -7.23 -1.26 -5.17 120.40 105.12 3dhg s VAL 23 Ca -0.07 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 57.93 3dhg s VAL 23 Cb 0.10 -2.55 -0.00 0.00 0.56 0.00 0.00 36.38 34.49 3dhg s VAL 23 CO 0.86 -0.22 0.99 0.42 -0.31 0.00 0.00 175.10 176.83 3dhg s THR 24 N -3.08 3.86 0.26 5.32 -4.23 -1.26 -4.74 115.64 111.77 3dhg s THR 24 Ca 0.31 0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 3dhg s THR 24 Cb 0.05 -3.56 0.24 0.00 1.34 0.00 0.00 72.50 70.57 3dhg s THR 24 CO 0.13 -0.67 1.82 -0.08 -0.54 0.00 0.00 174.62 175.28 3dhg h GLU 25 N -0.34 0.84 -0.23 3.99 4.81 -1.98 -0.70 114.58 120.96 3dhg h GLU 25 Ca -0.45 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 3dhg h GLU 25 Cb 1.24 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3dhg h GLU 25 CO 0.62 0.55 -0.38 1.49 -0.73 0.00 0.00 179.01 180.57 3dhg h GLU 26 N 0.86 0.53 -0.51 1.92 4.57 -1.93 0.13 114.58 120.15 3dhg h GLU 26 Ca 0.44 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3dhg h GLU 26 Cb 0.43 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3dhg h GLU 26 CO -0.26 0.82 0.02 1.96 -1.18 0.00 0.00 179.01 180.37 3dhg h GLN 27 N 0.44 0.89 -0.20 1.92 4.20 -1.77 -1.63 115.11 118.96 3dhg h GLN 27 Ca 0.04 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3dhg h GLN 27 Cb 0.85 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3dhg h GLN 27 CO 0.07 0.91 -0.47 1.25 -0.67 0.00 0.00 178.83 179.92 3dhg h LEU 28 N 0.76 0.56 -6.14 1.46 5.85 -0.85 -3.35 115.31 113.60 3dhg h LEU 28 Ca 0.15 -0.27 -0.58 0.00 0.84 0.00 0.00 57.88 58.02 3dhg h LEU 28 Cb 0.49 -0.16 -0.41 0.00 0.37 0.00 0.00 40.66 40.95 3dhg h LEU 28 CO 0.02 0.94 -0.82 0.49 -0.34 0.00 0.00 178.44 178.73 3dhg n PHE 29 N -3.99 1.83 -2.03 1.25 3.72 0.43 -5.00 117.46 113.67 3dhg n PHE 29 Ca -0.02 -3.89 -0.42 0.00 -0.05 0.00 0.00 57.45 53.07 3dhg n PHE 29 Cb 0.55 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3dhg n PHE 29 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dhg s PRO 30 N -1.85 4.27 0.32 -1.08 0.04 -0.62 -4.63 135.00 131.45 3dhg s PRO 30 Ca 0.37 2.27 0.08 0.00 0.04 0.00 0.00 61.00 63.76 3dhg s PRO 30 Cb 0.15 -3.15 0.81 0.00 0.04 0.00 0.00 34.50 32.35 3dhg s PRO 30 CO -0.06 -0.47 1.78 1.49 0.04 0.00 0.00 177.00 179.78 3dhg h GLU 31 N 5.94 0.67 -0.05 4.56 4.57 -1.96 0.54 114.58 128.85 3dhg h GLU 31 Ca -0.44 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.71 3dhg h GLU 31 Cb 1.21 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3dhg h GLU 31 CO 0.84 0.45 0.05 0.07 -1.18 0.00 0.00 179.01 179.23 3dhg h ARG 32 N 0.69 0.00 0.00 1.92 0.11 -1.97 -0.08 114.38 115.05 3dhg h ARG 32 Ca 0.58 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.45 3dhg h ARG 32 Cb 0.99 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.03 3dhg h ARG 32 CO -0.36 0.00 -1.93 -1.33 0.10 0.00 0.00 179.97 176.45 3dhg n MET 33 N -3.94 1.43 -0.05 0.08 2.81 -0.02 -3.93 117.12 113.49 3dhg n MET 33 Ca -0.02 -0.03 -0.22 0.00 -1.81 0.00 0.00 57.70 55.62 3dhg n MET 33 Cb 0.14 -1.37 -0.13 0.00 -0.71 0.00 0.00 33.22 31.16 3dhg n MET 33 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3dhg n SER 34 N -2.43 2.01 -1.16 7.83 2.88 -0.06 -0.30 113.62 122.39 3dhg n SER 34 Ca -0.19 0.26 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 3dhg n SER 34 Cb 0.85 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3dhg n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dhg n GLY 35 N 1.78 0.02 0.00 0.46 0.00 -0.06 -2.34 105.19 105.05 3dhg n GLY 35 Ca -0.35 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.29 3dhg n GLY 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dhg n HIS 36 N -3.92 0.00 -2.74 1.61 1.44 -1.26 -4.62 115.22 105.72 3dhg n HIS 36 Ca -0.12 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.40 3dhg n HIS 36 Cb 0.58 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 30.29 3dhg n HIS 36 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dhg n MET 37 N -1.40 -3.01 -0.79 -1.40 0.00 -1.26 -1.79 117.12 107.47 3dhg n MET 37 Ca 0.05 0.78 0.00 0.00 0.00 0.00 0.00 57.70 58.53 3dhg n MET 37 Cb 0.15 -5.49 0.00 0.00 0.00 0.00 0.00 33.22 27.88 3dhg n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dhg n GLY 38 N -1.12 1.28 3.69 3.03 0.00 -1.26 -5.01 105.19 105.80 3dhg n GLY 38 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3dhg n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dhg s ILE 39 N -3.63 3.65 0.72 -0.61 1.01 -0.74 -5.00 121.20 116.59 3dhg s ILE 39 Ca 0.00 1.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.54 3dhg s ILE 39 Cb 0.00 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.84 3dhg s ILE 39 CO 0.00 -0.01 1.11 -2.16 0.00 0.00 0.00 174.94 173.88 3dhg s PRO 40 N 2.56 2.47 0.28 2.79 0.04 -1.26 -4.88 135.00 137.00 3dhg s PRO 40 Ca 0.65 1.35 0.02 0.00 0.04 0.00 0.00 61.00 63.06 3dhg s PRO 40 Cb -0.32 -1.91 0.63 0.00 0.04 0.00 0.00 34.50 32.94 3dhg s PRO 40 CO 0.27 -1.50 1.77 -0.07 0.04 0.00 0.00 177.00 177.51 3dhg h LEU 41 N -0.50 0.67 -1.20 -3.56 3.38 -1.94 0.33 115.31 112.48 3dhg h LEU 41 Ca -0.45 0.09 0.14 0.00 0.09 0.00 0.00 57.88 57.75 3dhg h LEU 41 Cb 1.25 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 3dhg h LEU 41 CO 0.52 0.26 0.59 -0.08 0.09 0.00 0.00 178.44 179.82 3dhg h GLU 42 N 0.71 0.74 -0.05 1.13 4.57 -1.94 -2.06 114.58 117.67 3dhg h GLU 42 Ca 0.52 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 58.43 3dhg h GLU 42 Cb 0.77 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3dhg h GLU 42 CO -0.37 0.49 -0.90 0.87 -1.18 0.00 0.00 179.01 177.92 3dhg h LYS 43 N 0.76 0.61 0.00 1.92 1.79 -1.29 -3.14 116.57 117.23 3dhg h LYS 43 Ca 0.47 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3dhg h LYS 43 Cb 0.69 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3dhg h LYS 43 CO -0.23 1.20 0.00 -1.49 -1.08 0.00 0.00 179.45 177.85 3dhg h TRP 44 N 0.38 0.00 0.00 -1.35 4.06 -1.24 -1.16 115.95 116.64 3dhg h TRP 44 Ca -0.08 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 3dhg h TRP 44 Cb 1.53 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.69 3dhg h TRP 44 CO 0.08 0.00 -0.01 0.93 -3.56 0.00 0.00 178.44 175.88 3dhg h GLU 45 N 0.00 0.00 0.00 0.49 5.08 -1.47 -1.29 114.58 117.38 3dhg h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dhg h GLU 45 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3dhg h GLU 45 CO 0.00 0.01 0.00 0.43 -1.00 0.00 0.00 179.01 178.45 3dhg n SER 46 N -3.38 0.00 -4.67 1.42 7.64 -0.44 -4.84 113.62 109.37 3dhg n SER 46 Ca -0.03 0.46 -0.51 0.00 1.01 0.00 0.00 58.87 59.80 3dhg n SER 46 Cb 0.11 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 3dhg n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dhg n TYR 47 N -1.48 2.05 -3.71 1.43 9.36 -0.49 -4.91 117.16 119.41 3dhg n TYR 47 Ca 0.04 0.36 -0.28 0.00 3.32 0.00 0.00 57.90 61.35 3dhg n TYR 47 Cb 0.19 -2.50 -0.11 0.00 -0.63 0.00 0.00 39.34 36.28 3dhg n TYR 47 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3dhg n ASP 48 N 4.67 1.86 -4.75 2.98 2.03 -1.26 -4.82 116.55 117.25 3dhg n ASP 48 Ca 0.22 -2.94 -0.40 0.00 0.52 0.00 0.00 54.79 52.19 3dhg n ASP 48 Cb 0.22 -0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 39.88 3dhg n ASP 48 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3dhg s GLU 49 N -1.00 4.77 0.15 -0.67 1.03 -1.26 -4.78 118.70 116.94 3dhg s GLU 49 Ca 0.28 1.56 0.02 0.00 0.03 0.00 0.00 54.97 56.86 3dhg s GLU 49 Cb -0.01 -3.28 -0.06 0.00 -0.80 0.00 0.00 34.13 29.99 3dhg s GLU 49 CO -0.17 0.38 1.34 -1.00 -1.33 0.00 0.00 175.26 174.48 3dhg h PRO 50 N 4.37 0.20 -5.68 -4.83 0.13 -1.99 -3.45 132.00 120.73 3dhg h PRO 50 Ca -0.45 -0.23 -0.66 0.00 -0.87 0.00 0.00 66.00 63.79 3dhg h PRO 50 Cb 1.20 0.07 -0.18 0.00 0.13 0.00 0.00 31.00 32.23 3dhg h PRO 50 CO 0.69 0.99 -0.64 0.71 -0.23 0.00 0.00 178.00 179.52 3dhg s TYR 51 N -3.10 3.09 0.00 1.56 2.02 -1.26 -5.11 117.35 114.55 3dhg s TYR 51 Ca -0.03 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3dhg s TYR 51 Cb 0.10 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3dhg s TYR 51 CO 0.84 0.23 0.10 0.15 -1.57 0.00 0.00 175.55 175.30 3dhg s LYS 52 N -0.29 3.13 -0.06 -0.62 1.02 -1.26 -5.08 119.74 116.58 3dhg s LYS 52 Ca 0.06 -0.47 -0.04 0.00 0.02 0.00 0.00 55.97 55.54 3dhg s LYS 52 Cb -0.12 -2.90 0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3dhg s LYS 52 CO 0.02 0.65 0.15 0.99 -0.92 0.00 0.00 175.35 176.23 3dhg s THR 53 N -1.24 -0.02 0.14 2.17 2.01 -1.26 -5.14 115.64 112.30 3dhg s THR 53 Ca 0.24 0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.43 3dhg s THR 53 Cb -0.12 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 3dhg s THR 53 CO 0.16 0.03 -0.26 -0.94 -0.69 0.00 0.00 174.62 172.92 3dhg s SER 54 N 0.56 3.30 0.12 3.53 1.04 -1.26 -5.02 113.70 115.97 3dhg s SER 54 Ca -0.04 -0.76 -0.24 0.00 0.48 0.00 0.00 55.95 55.39 3dhg s SER 54 Cb -0.06 -0.22 -0.06 0.00 0.10 0.00 0.00 66.02 65.79 3dhg s SER 54 CO -0.03 0.17 1.67 0.22 0.98 0.00 0.00 173.24 176.25 3dhg h TYR 55 N 3.79 -0.39 -0.84 5.02 5.03 -2.02 0.21 116.97 127.77 3dhg h TYR 55 Ca -0.50 0.02 0.09 0.00 2.58 0.00 0.00 58.73 60.91 3dhg h TYR 55 Cb 1.18 0.18 -0.07 0.00 1.55 0.00 0.00 36.73 39.56 3dhg h TYR 55 CO 0.61 -0.22 0.50 -1.35 -1.32 0.00 0.00 178.16 176.38 3dhg h PRO 56 N -0.24 0.83 -0.56 1.82 0.11 -2.01 -1.55 132.00 130.41 3dhg h PRO 56 Ca 0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3dhg h PRO 56 Cb 0.32 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3dhg h PRO 56 CO -0.17 0.55 0.30 0.93 -0.21 0.00 0.00 178.00 179.40 3dhg h GLU 57 N 0.86 0.79 0.19 1.05 5.08 -1.83 -2.92 114.58 117.80 3dhg h GLU 57 Ca 0.40 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3dhg h GLU 57 Cb 0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3dhg h GLU 57 CO -0.22 0.62 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.34 3dhg h TYR 58 N 0.76 -0.36 -0.43 4.33 3.20 0.35 -1.88 116.97 122.93 3dhg h TYR 58 Ca 0.20 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3dhg h TYR 58 Cb 0.06 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3dhg h TYR 58 CO -0.01 -0.22 0.05 -0.39 -1.64 0.00 0.00 178.16 175.96 3dhg h VAL 59 N -0.34 1.21 -0.03 1.81 -1.51 -1.38 -0.92 116.25 115.10 3dhg h VAL 59 Ca -0.01 -0.81 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 3dhg h VAL 59 Cb 0.29 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 3dhg h VAL 59 CO -0.00 0.29 -0.03 -1.28 -1.23 0.00 0.00 177.57 175.32 3dhg h SER 60 N 0.65 0.07 0.11 4.19 0.87 -1.35 -1.70 113.55 116.39 3dhg h SER 60 Ca 0.14 -0.47 -0.14 0.00 -1.23 0.00 0.00 61.79 60.09 3dhg h SER 60 Cb 0.32 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3dhg h SER 60 CO 0.01 0.53 -0.50 0.16 -0.53 0.00 0.00 176.83 176.50 3dhg h ILE 61 N -0.38 1.33 -0.12 2.23 3.07 -1.26 -2.80 117.51 119.58 3dhg h ILE 61 Ca 0.01 -1.73 -0.16 0.00 1.55 0.00 0.00 64.86 64.53 3dhg h ILE 61 Cb 0.51 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 3dhg h ILE 61 CO 0.01 0.53 -0.59 1.56 -1.05 0.00 0.00 178.15 178.60 3dhg h GLN 62 N 0.35 0.38 -0.39 0.16 1.08 -1.23 -0.51 115.11 114.96 3dhg h GLN 62 Ca 0.02 -0.26 0.04 0.00 -1.45 0.00 0.00 58.65 57.00 3dhg h GLN 62 Cb 1.00 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.43 3dhg h GLN 62 CO 0.09 0.87 0.15 -0.09 -0.95 0.00 0.00 178.83 178.90 3dhg h ARG 63 N 0.29 0.31 -0.72 1.46 2.43 -1.24 -1.87 114.38 115.04 3dhg h ARG 63 Ca -0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3dhg h ARG 63 Cb 1.12 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3dhg h ARG 63 CO 0.10 0.21 0.35 0.93 -1.51 0.00 0.00 179.97 180.05 3dhg h GLU 64 N 0.32 1.03 -0.32 0.20 5.08 -1.19 -1.06 114.58 118.63 3dhg h GLU 64 Ca 0.18 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3dhg h GLU 64 Cb 0.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3dhg h GLU 64 CO -0.17 0.80 0.11 0.87 -1.00 0.00 0.00 179.01 179.63 3dhg h LYS 65 N 1.00 0.50 -0.39 2.33 1.57 -0.71 -2.36 116.57 118.51 3dhg h LYS 65 Ca 0.25 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3dhg h LYS 65 Cb 0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3dhg h LYS 65 CO -0.03 0.52 0.21 -0.44 -0.57 0.00 0.00 179.45 179.14 3dhg h ASP 66 N 0.37 0.49 -0.46 0.86 3.32 -1.18 -2.16 116.42 117.65 3dhg h ASP 66 Ca 0.11 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.15 3dhg h ASP 66 Cb 0.23 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.56 3dhg h ASP 66 CO -0.01 0.45 -0.18 0.00 -1.72 0.00 0.00 179.24 177.78 3dhg h ALA 67 N 1.07 0.19 0.05 3.45 0.00 -0.97 -0.54 119.26 122.50 3dhg h ALA 67 Ca 0.14 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3dhg h ALA 67 Cb 0.07 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3dhg h ALA 67 CO -0.02 -0.52 -0.13 0.78 0.00 0.00 0.00 179.25 179.36 3dhg h GLY 68 N -0.08 -0.20 0.88 0.00 0.00 -1.36 -0.77 103.07 101.54 3dhg h GLY 68 Ca 0.22 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.73 3dhg h GLY 68 CO -0.52 -0.13 0.22 0.00 0.00 0.00 0.00 176.54 176.11 3dhg h ALA 69 N 0.67 0.50 -0.13 3.60 0.00 -0.92 -0.18 119.26 122.81 3dhg h ALA 69 Ca 0.03 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3dhg h ALA 69 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dhg h ALA 69 CO -0.10 -0.12 -0.62 1.88 0.00 0.00 0.00 179.25 180.29 3dhg h TYR 70 N 0.45 0.58 -0.56 0.00 0.05 -1.08 -1.93 116.97 114.49 3dhg h TYR 70 Ca 0.16 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3dhg h TYR 70 Cb 0.03 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 3dhg h TYR 70 CO -0.08 0.95 0.36 0.77 -1.05 0.00 0.00 178.16 179.11 3dhg h SER 71 N 0.33 0.66 -0.24 3.88 0.02 -0.79 -0.19 113.55 117.22 3dhg h SER 71 Ca -0.01 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3dhg h SER 71 Cb 1.17 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3dhg h SER 71 CO 0.11 0.50 0.15 0.58 -1.14 0.00 0.00 176.83 177.03 3dhg h VAL 72 N 0.76 1.09 -0.44 2.27 2.07 -0.97 0.62 116.25 121.66 3dhg h VAL 72 Ca 0.20 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3dhg h VAL 72 Cb -0.05 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3dhg h VAL 72 CO -0.04 0.09 0.14 0.50 0.02 0.00 0.00 177.57 178.28 3dhg h LYS 73 N 0.30 0.29 -0.37 1.57 3.64 -1.16 -1.04 116.57 119.81 3dhg h LYS 73 Ca 0.09 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3dhg h LYS 73 Cb 0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3dhg h LYS 73 CO -0.02 0.19 0.07 0.00 -2.27 0.00 0.00 179.45 177.43 3dhg h ALA 74 N 1.29 0.49 -0.00 5.00 0.00 -0.82 -2.80 119.26 122.42 3dhg h ALA 74 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dhg h ALA 74 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dhg h ALA 74 CO -0.22 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 3dhg h ALA 75 N 0.92 1.98 -0.55 0.00 0.00 -0.40 -3.02 119.26 118.19 3dhg h ALA 75 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dhg h ALA 75 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dhg h ALA 75 CO 0.01 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3dhg n LEU 76 N -4.53 3.55 -0.32 0.00 4.77 -0.44 -4.63 117.00 115.41 3dhg n LEU 76 Ca -0.03 -1.86 0.35 0.00 -0.03 0.00 0.00 56.01 54.45 3dhg n LEU 76 Cb 0.10 -0.36 0.75 0.00 -2.33 0.00 0.00 43.42 41.58 3dhg n LEU 76 CO 0.34 0.86 1.32 -0.08 -1.33 0.00 0.00 177.39 178.50 3dhg h GLU 77 N 3.73 0.00 -0.69 3.23 4.57 -1.37 0.12 114.58 124.17 3dhg h GLU 77 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dhg h GLU 77 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 3dhg h GLU 77 CO 0.00 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.37 3dhg n ARG 78 N -4.16 2.61 0.30 1.92 1.74 -1.26 -4.37 116.66 113.45 3dhg n ARG 78 Ca 0.25 -2.51 0.19 0.00 -0.77 0.00 0.00 57.85 55.01 3dhg n ARG 78 Cb 1.25 -1.54 0.96 0.00 -1.02 0.00 0.00 32.46 32.11 3dhg n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dhg h ALA 79 N 4.29 1.10 -5.81 7.54 0.00 -1.12 -3.47 119.26 121.80 3dhg h ALA 79 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.51 3dhg h ALA 79 Cb 0.94 -0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.86 3dhg h ALA 79 CO 0.00 0.03 -0.73 1.63 0.00 0.00 0.00 179.25 180.18 3dhg n LYS 80 N -3.26 -7.07 -0.14 0.00 4.76 -1.26 -4.87 118.16 106.32 3dhg n LYS 80 Ca -0.02 0.81 -0.07 0.00 -2.87 0.00 0.00 58.31 56.16 3dhg n LYS 80 Cb 0.17 -5.81 0.02 0.00 -1.84 0.00 0.00 35.03 27.56 3dhg n LYS 80 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3dhg h ILE 81 N -2.28 1.07 -0.93 -0.18 1.08 -1.91 0.15 117.51 114.52 3dhg h ILE 81 Ca -0.58 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 63.76 3dhg h ILE 81 Cb 1.36 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.52 3dhg h ILE 81 CO 0.54 0.10 0.59 0.22 -0.69 0.00 0.00 178.15 178.92 3dhg h TYR 82 N 0.55 1.10 0.11 1.37 3.20 -1.96 -1.58 116.97 119.77 3dhg h TYR 82 Ca 0.17 0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.78 3dhg h TYR 82 Cb -0.02 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 37.88 3dhg h TYR 82 CO -0.06 0.57 -1.39 0.93 -1.64 0.00 0.00 178.16 176.57 3dhg h GLU 83 N 1.09 0.24 0.00 1.82 3.07 -1.84 -3.37 114.58 115.58 3dhg h GLU 83 Ca 0.40 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dhg h GLU 83 Cb 0.16 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3dhg h GLU 83 CO -0.17 1.14 -1.50 0.09 -1.40 0.00 0.00 179.01 177.17 3dhg n ASN 84 N -3.47 0.45 -4.77 1.42 4.13 0.00 -4.97 115.26 108.05 3dhg n ASN 84 Ca -0.12 -0.37 -0.33 0.00 1.68 0.00 0.00 54.58 55.44 3dhg n ASN 84 Cb 1.03 1.46 0.05 0.00 -1.54 0.00 0.00 39.78 40.78 3dhg n ASN 84 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3dhg s SER 85 N -3.93 4.99 0.20 6.41 0.01 -0.61 -4.98 113.70 115.80 3dhg s SER 85 Ca -0.01 2.03 -0.31 0.00 1.31 0.00 0.00 55.95 58.98 3dhg s SER 85 Cb 0.15 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 3dhg s SER 85 CO 0.88 -1.71 1.52 -0.62 0.41 0.00 0.00 173.24 173.72 3dhg s ASP 86 N -2.54 6.60 0.48 2.44 -1.08 -1.26 -4.89 116.67 116.42 3dhg s ASP 86 Ca 0.68 2.65 0.34 0.00 -0.52 0.00 0.00 52.55 55.70 3dhg s ASP 86 Cb -0.21 -2.61 1.48 0.00 -1.46 0.00 0.00 42.92 40.12 3dhg s ASP 86 CO 0.42 -0.78 1.65 -0.65 0.52 0.00 0.00 175.17 176.34 3dhg h PRO 87 N 5.98 0.08 -0.49 4.34 0.10 -1.94 0.19 132.00 140.26 3dhg h PRO 87 Ca -0.44 -0.01 -0.03 0.00 0.10 0.00 0.00 66.00 65.62 3dhg h PRO 87 Cb 1.21 -0.02 -0.02 0.00 0.10 0.00 0.00 31.00 32.27 3dhg h PRO 87 CO 0.85 0.06 0.18 0.78 0.10 0.00 0.00 178.00 179.96 3dhg h GLY 88 N 0.09 0.77 0.69 -0.55 0.00 -1.91 -0.90 103.07 101.25 3dhg h GLY 88 Ca 0.79 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 3dhg h GLY 88 CO -0.26 0.37 -0.21 -0.25 0.00 0.00 0.00 176.54 176.19 3dhg h TRP 89 N 0.70 0.41 -0.87 5.60 2.91 -0.88 -1.42 115.95 122.41 3dhg h TRP 89 Ca 0.17 -0.15 0.05 0.00 1.13 0.00 0.00 58.89 60.09 3dhg h TRP 89 Cb 0.17 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.69 3dhg h TRP 89 CO 0.01 0.82 0.57 0.82 -1.03 0.00 0.00 178.44 179.63 3dhg h ILE 90 N -0.12 1.11 -0.18 2.65 1.08 -1.13 -0.67 117.51 120.25 3dhg h ILE 90 Ca 0.00 -0.36 -0.13 0.00 -0.39 0.00 0.00 64.86 63.99 3dhg h ILE 90 Cb 0.80 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 3dhg h ILE 90 CO 0.05 0.19 -0.45 0.28 -0.69 0.00 0.00 178.15 177.53 3dhg h SER 91 N 1.04 0.46 -0.26 1.72 0.02 -1.16 -1.70 113.55 113.67 3dhg h SER 91 Ca 0.36 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3dhg h SER 91 Cb 0.11 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3dhg h SER 91 CO -0.12 0.85 0.05 0.74 -1.14 0.00 0.00 176.83 177.21 3dhg h THR 92 N 0.35 0.88 -0.08 -2.27 2.02 -0.14 -0.82 112.91 112.85 3dhg h THR 92 Ca 0.02 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3dhg h THR 92 Cb 0.92 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3dhg h THR 92 CO 0.08 0.03 -0.05 -0.07 0.37 0.00 0.00 175.52 175.88 3dhg h LEU 93 N 0.15 -0.16 -0.74 2.58 3.38 -0.98 0.04 115.31 119.57 3dhg h LEU 93 Ca 0.12 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3dhg h LEU 93 Cb 0.12 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3dhg h LEU 93 CO -0.16 -0.07 0.49 0.11 0.09 0.00 0.00 178.44 178.89 3dhg h LYS 94 N -0.06 0.95 0.00 1.13 1.57 -1.08 0.51 116.57 119.60 3dhg h LYS 94 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dhg h LYS 94 Cb 0.13 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3dhg h LYS 94 CO -0.11 0.63 -0.00 1.03 -0.57 0.00 0.00 179.45 180.43 3dhg h SER 95 N 0.98 -0.00 0.20 0.86 0.87 -1.11 -2.20 113.55 113.14 3dhg h SER 95 Ca 0.28 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3dhg h SER 95 Cb -0.07 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 3dhg h SER 95 CO -0.08 0.39 -0.41 -0.74 -0.53 0.00 0.00 176.83 175.46 3dhg h HIS 96 N -0.39 -1.15 -0.84 2.24 -0.00 -0.78 -1.59 115.15 112.63 3dhg h HIS 96 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3dhg h HIS 96 Cb 0.39 0.48 -0.04 0.00 -0.00 0.00 0.00 27.41 28.24 3dhg h HIS 96 CO 0.06 -0.53 0.48 1.88 -0.00 0.00 0.00 177.93 179.83 3dhg h TYR 97 N -0.70 1.13 -0.40 5.26 0.05 -0.93 -0.71 116.97 120.68 3dhg h TYR 97 Ca 0.01 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 3dhg h TYR 97 Cb 0.69 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3dhg h TYR 97 CO -0.32 0.77 -0.14 0.78 -1.05 0.00 0.00 178.16 178.20 3dhg h GLY 98 N 1.19 0.86 2.00 3.88 0.00 -1.23 -1.92 103.07 107.86 3dhg h GLY 98 Ca 0.30 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3dhg h GLY 98 CO -0.05 0.68 -0.26 0.00 0.00 0.00 0.00 176.54 176.91 3dhg h ALA 99 N 0.83 0.87 0.00 3.60 0.00 -1.05 -3.41 119.26 120.11 3dhg h ALA 99 Ca 0.10 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 3dhg h ALA 99 Cb 0.68 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3dhg h ALA 99 CO 0.05 0.32 -1.87 -0.89 0.00 0.00 0.00 179.25 176.85 3dhg n ILE 100 N -3.22 0.87 -0.01 0.00 2.08 -0.30 -4.58 119.36 114.20 3dhg n ILE 100 Ca 0.02 -0.28 -0.09 0.00 0.56 0.00 0.00 62.75 62.96 3dhg n ILE 100 Cb 0.58 -1.36 -0.03 0.00 -0.75 0.00 0.00 39.64 38.08 3dhg n ILE 100 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dhg h ALA 101 N -0.28 -0.02 0.00 -1.39 0.00 -1.54 -0.27 119.26 115.76 3dhg h ALA 101 Ca -0.37 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3dhg h ALA 101 Cb 1.44 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3dhg h ALA 101 CO -0.15 -0.58 -0.38 0.28 0.00 0.00 0.00 179.25 178.43 3dhg h VAL 102 N -0.15 0.00 -0.40 0.00 2.07 -1.81 -2.83 116.25 113.13 3dhg h VAL 102 Ca 0.10 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 3dhg h VAL 102 Cb 0.30 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3dhg h VAL 102 CO -0.25 0.00 -0.12 1.23 0.02 0.00 0.00 177.57 178.46 3dhg h GLY 103 N 4.18 0.77 0.99 2.17 0.00 -1.59 -0.84 103.07 108.75 3dhg h GLY 103 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 3dhg h GLY 103 CO 0.00 0.53 0.01 0.83 0.00 0.00 0.00 176.54 177.90 3dhg h GLU 104 N 0.65 0.81 -0.78 4.80 4.39 -0.83 -1.62 114.58 122.00 3dhg h GLU 104 Ca 0.11 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.56 3dhg h GLU 104 Cb 0.57 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 3dhg h GLU 104 CO 0.04 0.86 0.52 -0.92 -1.16 0.00 0.00 179.01 178.35 3dhg h TYR 105 N 0.67 0.98 -0.15 4.33 3.20 -1.38 -1.60 116.97 123.01 3dhg h TYR 105 Ca 0.13 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.06 3dhg h TYR 105 Cb 0.49 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3dhg h TYR 105 CO 0.04 0.62 0.11 0.00 -1.64 0.00 0.00 178.16 177.28 3dhg h ALA 106 N 1.29 2.09 0.00 1.82 0.00 -0.81 -2.13 119.26 121.52 3dhg h ALA 106 Ca 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3dhg h ALA 106 Cb -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dhg h ALA 106 CO -0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 179.25 178.98 3dhg h ALA 107 N 1.92 1.14 -0.89 0.00 0.00 -0.31 -0.74 119.26 120.39 3dhg h ALA 107 Ca 0.07 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3dhg h ALA 107 Cb 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3dhg h ALA 107 CO -0.00 0.10 0.55 0.28 0.00 0.00 0.00 179.25 180.18 3dhg h VAL 108 N 0.00 1.00 -0.60 0.00 2.07 -1.35 -0.55 116.25 116.82 3dhg h VAL 108 Ca -0.00 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3dhg h VAL 108 Cb 0.36 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3dhg h VAL 108 CO 0.01 0.18 0.08 0.74 0.02 0.00 0.00 177.57 178.59 3dhg h THR 109 N 0.96 1.26 -0.53 2.57 2.02 -1.27 0.35 112.91 118.28 3dhg h THR 109 Ca 0.41 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 3dhg h THR 109 Cb 0.26 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3dhg h THR 109 CO -0.20 0.38 0.13 1.23 0.37 0.00 0.00 175.52 177.42 3dhg h GLY 110 N 0.90 0.91 0.98 2.16 0.00 -1.36 0.10 103.07 106.77 3dhg h GLY 110 Ca 0.18 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3dhg h GLY 110 CO 0.02 0.53 0.16 0.83 0.00 0.00 0.00 176.54 178.08 3dhg h GLU 111 N 0.73 0.35 -0.40 4.80 4.39 -0.92 -2.47 114.58 121.07 3dhg h GLU 111 Ca 0.16 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.86 3dhg h GLU 111 Cb 0.34 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3dhg h GLU 111 CO 0.00 0.27 0.27 0.78 -1.16 0.00 0.00 179.01 179.17 3dhg h GLY 112 N 0.34 0.51 1.01 -3.84 0.00 0.08 -0.77 103.07 100.41 3dhg h GLY 112 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3dhg h GLY 112 CO -0.02 0.17 0.52 -0.09 0.00 0.00 0.00 176.54 177.11 3dhg h ARG 113 N 0.47 1.06 -0.14 4.80 9.65 -0.34 -1.98 114.38 127.90 3dhg h ARG 113 Ca 0.16 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.79 3dhg h ARG 113 Cb 0.06 -0.23 0.01 0.00 -1.39 0.00 0.00 29.97 28.41 3dhg h ARG 113 CO -0.04 0.71 -0.59 0.52 2.80 0.00 0.00 179.97 183.37 3dhg h MET 114 N 1.08 0.64 -0.94 0.20 2.86 -1.17 0.98 114.93 118.59 3dhg h MET 114 Ca 0.29 -0.51 0.16 0.00 -2.06 0.00 0.00 59.70 57.58 3dhg h MET 114 Cb -0.10 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 3dhg h MET 114 CO -0.06 1.13 0.60 0.00 1.06 0.00 0.00 176.91 179.64 3dhg h ALA 115 N 0.52 1.83 0.05 6.32 0.00 -0.87 -1.74 119.26 125.37 3dhg h ALA 115 Ca -0.04 0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3dhg h ALA 115 Cb 1.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3dhg h ALA 115 CO 0.12 -0.12 -1.84 -2.13 0.00 0.00 0.00 179.25 175.29 3dhg n ARG 116 N -4.61 0.65 0.00 0.00 3.00 -0.77 -4.76 116.66 110.18 3dhg n ARG 116 Ca 0.19 0.37 0.08 0.00 -0.00 0.00 0.00 57.85 58.49 3dhg n ARG 116 Cb 0.53 -1.68 -0.06 0.00 0.00 0.00 0.00 32.46 31.25 3dhg n ARG 116 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3dhg n PHE 117 N -3.92 0.00 -2.14 -0.14 3.72 0.33 -4.95 117.46 110.37 3dhg n PHE 117 Ca -0.36 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.62 3dhg n PHE 117 Cb 0.88 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.39 3dhg n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dhg s SER 118 N -2.34 6.81 0.10 4.37 0.15 -0.66 -4.40 113.70 117.72 3dhg s SER 118 Ca 0.09 2.46 0.20 0.00 0.70 0.00 0.00 55.95 59.39 3dhg s SER 118 Cb 0.13 -2.61 0.82 0.00 -1.71 0.00 0.00 66.02 62.65 3dhg s SER 118 CO 0.58 -0.61 1.62 0.29 1.20 0.00 0.00 173.24 176.32 3dhg n LYS 119 N 2.91 0.08 -3.20 5.44 5.02 -1.26 -4.72 118.16 122.43 3dhg n LYS 119 Ca 0.08 0.28 -0.40 0.00 -2.02 0.00 0.00 58.31 56.25 3dhg n LYS 119 Cb 0.42 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 3dhg n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dhg s ALA 120 N -3.12 3.59 0.30 7.82 0.00 -1.26 -4.61 121.76 124.49 3dhg s ALA 120 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3dhg s ALA 120 Cb 0.11 -2.93 0.48 0.00 0.00 0.00 0.00 23.12 20.78 3dhg s ALA 120 CO 0.36 -0.77 1.88 -1.00 0.00 0.00 0.00 175.76 176.24 3dhg h PRO 121 N 8.00 0.81 -0.28 0.00 0.13 -1.84 -1.71 132.00 137.10 3dhg h PRO 121 Ca -0.28 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 3dhg h PRO 121 Cb 1.14 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3dhg h PRO 121 CO 0.73 0.67 -0.17 0.78 -0.23 0.00 0.00 178.00 179.78 3dhg h GLY 122 N 0.93 0.54 0.96 1.56 0.00 -1.88 -2.49 103.07 102.69 3dhg h GLY 122 Ca 0.19 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3dhg h GLY 122 CO -0.02 0.37 0.08 -0.57 0.00 0.00 0.00 176.54 176.40 3dhg h ASN 123 N 0.45 0.71 -0.77 0.19 -1.24 -1.79 -0.65 115.58 112.49 3dhg h ASN 123 Ca 0.08 -0.26 0.01 0.00 0.71 0.00 0.00 56.30 56.84 3dhg h ASN 123 Cb 0.56 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.38 3dhg h ASN 123 CO 0.04 0.79 0.51 0.03 -1.29 0.00 0.00 177.43 177.50 3dhg h ARG 124 N 0.61 1.00 -0.11 6.67 3.08 -0.99 0.42 114.38 125.06 3dhg h ARG 124 Ca 0.14 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 3dhg h ARG 124 Cb 0.37 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.20 3dhg h ARG 124 CO 0.01 0.66 -0.43 -0.91 -1.07 0.00 0.00 179.97 178.23 3dhg h ASN 125 N 1.03 0.56 -0.71 7.04 2.35 -1.36 -2.75 115.58 121.75 3dhg h ASN 125 Ca 0.29 -0.63 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 3dhg h ASN 125 Cb -0.10 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3dhg h ASN 125 CO -0.07 1.09 0.42 0.24 -1.65 0.00 0.00 177.43 177.46 3dhg h MET 126 N 0.06 0.97 0.00 0.81 2.86 -0.94 -1.68 114.93 117.02 3dhg h MET 126 Ca -0.02 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3dhg h MET 126 Cb 1.07 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 3dhg h MET 126 CO 0.09 0.69 -0.15 0.00 1.06 0.00 0.00 176.91 178.60 3dhg h ALA 127 N 1.47 1.59 -0.33 6.32 0.00 -0.90 0.18 119.26 127.59 3dhg h ALA 127 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dhg h ALA 127 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dhg h ALA 127 CO -0.05 0.19 0.08 1.15 0.00 0.00 0.00 179.25 180.63 3dhg h THR 128 N 0.00 1.22 -0.24 0.00 2.02 -1.00 0.25 112.91 115.16 3dhg h THR 128 Ca -0.00 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 3dhg h THR 128 Cb 0.30 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3dhg h THR 128 CO 0.02 0.25 -0.22 -0.26 0.37 0.00 0.00 175.52 175.68 3dhg h PHE 129 N 0.38 0.47 -0.87 3.16 0.04 -1.01 -2.50 116.94 116.62 3dhg h PHE 129 Ca 0.10 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3dhg h PHE 129 Cb 0.29 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 3dhg h PHE 129 CO 0.01 0.62 0.47 0.78 -0.60 0.00 0.00 178.31 179.60 3dhg h GLY 130 N 0.98 1.29 0.62 -1.45 0.00 -0.27 0.80 103.07 105.04 3dhg h GLY 130 Ca 0.06 -0.58 0.05 0.00 0.00 0.00 0.00 47.33 46.86 3dhg h GLY 130 CO 0.04 0.56 0.10 -0.33 0.00 0.00 0.00 176.54 176.92 3dhg h MET 131 N 1.21 0.24 -0.20 4.80 2.86 -0.12 0.13 114.93 123.86 3dhg h MET 131 Ca 0.31 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3dhg h MET 131 Cb 0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3dhg h MET 131 CO -0.05 0.16 0.12 0.52 1.06 0.00 0.00 176.91 178.72 3dhg h MET 132 N 0.24 0.27 -0.30 1.72 2.07 -1.15 -1.92 114.93 115.86 3dhg h MET 132 Ca 0.17 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 3dhg h MET 132 Cb 0.18 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 3dhg h MET 132 CO -0.20 0.21 0.19 -0.44 1.07 0.00 0.00 176.91 177.74 3dhg h ASP 133 N 0.25 0.35 0.90 1.22 3.32 -0.57 -0.76 116.42 121.14 3dhg h ASP 133 Ca 0.07 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3dhg h ASP 133 Cb 0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3dhg h ASP 133 CO -0.01 0.28 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.18 3dhg h GLU 134 N 0.40 0.00 -0.27 3.56 4.39 -0.63 -1.75 114.58 120.27 3dhg h GLU 134 Ca 0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3dhg h GLU 134 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3dhg h GLU 134 CO -0.02 0.27 0.08 1.25 -1.16 0.00 0.00 179.01 179.43 3dhg h LEU 135 N 0.00 0.40 -0.48 1.33 5.85 -1.02 -1.15 115.31 120.24 3dhg h LEU 135 Ca -0.00 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.58 3dhg h LEU 135 Cb 0.79 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 3dhg h LEU 135 CO 0.04 0.51 0.09 -0.09 -0.34 0.00 0.00 178.44 178.65 3dhg h ARG 136 N 0.27 0.22 -0.38 1.25 2.43 -0.63 -1.09 114.38 116.46 3dhg h ARG 136 Ca 0.09 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 3dhg h ARG 136 Cb 0.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3dhg h ARG 136 CO -0.00 0.15 -0.19 0.45 -1.51 0.00 0.00 179.97 178.87 3dhg h HIS 137 N 0.23 0.91 -0.61 2.20 3.86 -0.98 0.11 115.15 120.88 3dhg h HIS 137 Ca 0.24 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3dhg h HIS 137 Cb 0.32 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3dhg h HIS 137 CO -0.23 0.97 0.14 0.78 0.86 0.00 0.00 177.93 180.46 3dhg h GLY 138 N 0.59 1.06 0.87 2.45 0.00 -1.10 -1.48 103.07 105.44 3dhg h GLY 138 Ca 0.08 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 3dhg h GLY 138 CO 0.06 0.62 -0.21 1.46 0.00 0.00 0.00 176.54 178.47 3dhg h GLN 139 N 0.89 0.55 -0.66 4.80 4.20 -0.90 -2.66 115.11 121.33 3dhg h GLN 139 Ca 0.19 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.67 3dhg h GLN 139 Cb 0.37 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3dhg h GLN 139 CO 0.00 0.86 0.38 -0.07 -0.67 0.00 0.00 178.83 179.34 3dhg h LEU 140 N 0.24 0.58 -0.62 1.46 3.38 -0.73 0.39 115.31 120.02 3dhg h LEU 140 Ca 0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dhg h LEU 140 Cb 0.75 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dhg h LEU 140 CO 0.05 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3dhg n GLN 141 N -4.76 1.40 -0.10 1.13 6.02 -0.57 -0.88 117.38 119.63 3dhg n GLN 141 Ca 0.08 -0.61 -0.18 0.00 -0.01 0.00 0.00 57.00 56.28 3dhg n GLN 141 Cb 0.14 -1.28 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 3dhg n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3dhg n LEU 142 N -0.12 2.07 -0.08 1.08 4.77 -0.93 -4.53 117.00 119.27 3dhg n LEU 142 Ca 0.12 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3dhg n LEU 142 Cb 0.19 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3dhg n LEU 142 CO 0.09 0.59 0.97 0.15 -1.33 0.00 0.00 177.39 177.86 3dhg h PHE 143 N -0.43 0.38 0.17 -1.77 3.57 -0.77 -2.52 116.94 115.57 3dhg h PHE 143 Ca -0.48 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 3dhg h PHE 143 Cb 1.54 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.15 3dhg h PHE 143 CO -0.03 0.28 -0.08 0.74 -2.23 0.00 0.00 178.31 176.99 3dhg h PHE 144 N 0.37 -0.21 0.00 0.41 -1.00 -1.24 -3.03 116.94 112.24 3dhg h PHE 144 Ca 0.10 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 3dhg h PHE 144 Cb 0.01 0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 3dhg h PHE 144 CO -0.04 -0.13 -0.01 -1.00 -1.61 0.00 0.00 178.31 175.52 3dhg h PRO 145 N -0.24 0.00 -1.01 1.51 0.13 -1.79 -3.23 132.00 127.38 3dhg h PRO 145 Ca -0.02 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.35 3dhg h PRO 145 Cb 0.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.23 3dhg h PRO 145 CO 0.04 0.01 0.65 1.25 -0.23 0.00 0.00 178.00 179.72 3dhg h HIS 146 N 0.00 0.63 0.00 1.56 2.76 -1.31 0.18 115.15 118.97 3dhg h HIS 146 Ca -0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3dhg h HIS 146 Cb 0.44 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 3dhg h HIS 146 CO 0.00 0.09 -0.03 1.05 -1.30 0.00 0.00 177.93 177.74 3dhg h GLU 147 N 0.41 0.00 0.00 5.26 4.11 -1.71 -2.47 114.58 120.17 3dhg h GLU 147 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 3dhg h GLU 147 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3dhg h GLU 147 CO -0.26 0.03 -0.03 0.66 0.07 0.00 0.00 179.01 179.49 3dhg n TYR 148 N -4.06 0.94 -0.35 2.06 4.01 0.64 -3.90 117.16 116.50 3dhg n TYR 148 Ca -0.03 0.27 0.13 0.00 -0.16 0.00 0.00 57.90 58.11 3dhg n TYR 148 Cb 0.12 -0.94 0.32 0.00 -0.31 0.00 0.00 39.34 38.53 3dhg n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dhg h LYS 150 N 0.77 0.00 0.01 0.00 1.57 -1.79 -3.16 116.57 113.97 3dhg h LYS 150 Ca 0.57 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 59.01 3dhg h LYS 150 Cb 0.88 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 3dhg h LYS 150 CO -0.37 0.01 -2.12 1.63 -0.57 0.00 0.00 179.45 178.03 3dhg n LYS 151 N -3.13 0.67 -3.58 3.15 4.76 0.45 -4.97 118.16 115.51 3dhg n LYS 151 Ca -0.01 0.14 -0.01 0.00 -2.87 0.00 0.00 58.31 55.56 3dhg n LYS 151 Cb 0.21 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 3dhg n LYS 151 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3dhg s ASP 152 N -5.93 -0.93 0.63 4.39 -1.08 -0.91 -5.03 116.67 107.79 3dhg s ASP 152 Ca -0.11 1.31 0.35 0.00 -0.52 0.00 0.00 52.55 53.58 3dhg s ASP 152 Cb 0.07 1.99 2.03 0.00 -1.46 0.00 0.00 42.92 45.54 3dhg s ASP 152 CO 0.80 -0.19 2.26 0.03 0.52 0.00 0.00 175.17 178.59 3dhg h ARG 153 N 7.68 0.00 0.00 4.34 3.08 -1.86 -1.92 114.38 125.69 3dhg h ARG 153 Ca -0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3dhg h ARG 153 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3dhg h ARG 153 CO 0.10 0.00 -0.16 1.96 -1.07 0.00 0.00 179.97 180.80 3dhg h GLN 154 N 0.00 0.00 0.00 0.04 4.20 -1.86 -1.75 115.11 115.75 3dhg h GLN 154 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3dhg h GLN 154 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3dhg h GLN 154 CO -0.00 0.16 0.00 1.19 -0.67 0.00 0.00 178.83 179.51 3dhg n PHE 155 N -4.18 0.76 0.28 2.96 3.72 -0.72 -1.85 117.46 118.42 3dhg n PHE 155 Ca -0.02 0.31 0.13 0.00 -0.05 0.00 0.00 57.45 57.82 3dhg n PHE 155 Cb 0.24 -1.00 0.81 0.00 -0.94 0.00 0.00 39.48 38.59 3dhg n PHE 155 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3dhg h ASP 156 N 0.00 0.00 0.58 4.37 3.58 -1.47 -2.11 116.42 121.37 3dhg h ASP 156 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3dhg h ASP 156 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3dhg h ASP 156 CO 0.00 0.05 0.00 0.79 -2.88 0.00 0.00 179.24 177.20 3dhg n TRP 157 N -3.87 0.11 -0.10 0.28 7.02 -0.77 -0.91 117.44 119.20 3dhg n TRP 157 Ca -0.03 0.04 0.07 0.00 -1.02 0.00 0.00 57.50 56.57 3dhg n TRP 157 Cb 0.14 -0.57 0.41 0.00 -2.42 0.00 0.00 31.31 28.88 3dhg n TRP 157 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3dhg h ALA 158 N 2.51 1.79 0.03 6.99 0.00 -1.58 -1.52 119.26 127.48 3dhg h ALA 158 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 3dhg h ALA 158 Cb 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3dhg h ALA 158 CO 0.00 0.12 -2.30 1.87 0.00 0.00 0.00 179.25 178.94 3dhg n TRP 159 N -4.47 0.38 0.19 0.00 -0.00 -0.41 -4.43 117.44 108.70 3dhg n TRP 159 Ca 0.08 0.09 0.06 0.00 -0.00 0.00 0.00 57.50 57.74 3dhg n TRP 159 Cb 0.21 -1.05 0.30 0.00 -0.00 0.00 0.00 31.31 30.77 3dhg n TRP 159 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 3dhg h ARG 160 N -0.14 0.00 -0.48 5.87 2.43 -0.93 -3.38 114.38 117.76 3dhg h ARG 160 Ca -0.54 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.69 3dhg h ARG 160 Cb 1.88 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.37 3dhg h ARG 160 CO -0.09 0.35 0.18 0.00 -1.51 0.00 0.00 179.97 178.90 3dhg h ALA 161 N 1.65 0.58 0.00 2.80 0.00 -1.54 -0.87 119.26 121.89 3dhg h ALA 161 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dhg h ALA 161 Cb 0.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dhg h ALA 161 CO 0.05 -0.21 0.00 0.66 0.00 0.00 0.00 179.25 179.75 3dhg n TYR 162 N -4.99 0.61 0.82 0.00 4.02 -1.26 -1.42 117.16 114.93 3dhg n TYR 162 Ca 0.04 0.22 0.10 0.00 -0.01 0.00 0.00 57.90 58.25 3dhg n TYR 162 Cb 0.18 -0.85 0.29 0.00 -0.02 0.00 0.00 39.34 38.94 3dhg n TYR 162 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3dhg n HIS 163 N -2.03 0.38 -3.96 -0.72 8.25 -0.35 -4.96 115.22 111.82 3dhg n HIS 163 Ca 0.04 -0.19 -0.23 0.00 -0.26 0.00 0.00 57.72 57.08 3dhg n HIS 163 Cb 0.28 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 3dhg n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3dhg s SER 164 N -1.43 4.78 -0.26 0.41 1.04 -0.51 -5.03 113.70 112.70 3dhg s SER 164 Ca 0.34 -0.79 0.13 0.00 0.48 0.00 0.00 55.95 56.10 3dhg s SER 164 Cb 0.19 -0.68 0.66 0.00 0.10 0.00 0.00 66.02 66.29 3dhg s SER 164 CO 0.27 -0.43 1.64 0.59 0.98 0.00 0.00 173.24 176.29 3dhg n ASN 165 N -1.28 4.37 -4.77 7.02 3.02 -1.25 -4.65 115.26 117.72 3dhg n ASN 165 Ca -0.01 -3.19 -0.41 0.00 -0.03 0.00 0.00 54.58 50.94 3dhg n ASN 165 Cb 0.62 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 3dhg n ASN 165 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dhg s GLU 166 N -2.95 4.24 0.24 3.52 -6.30 -1.13 -4.56 118.70 111.76 3dhg s GLU 166 Ca 0.50 2.35 -0.06 0.00 -2.50 0.00 0.00 54.97 55.26 3dhg s GLU 166 Cb 0.40 -3.01 0.31 0.00 0.00 0.00 0.00 34.13 31.83 3dhg s GLU 166 CO 0.11 -0.34 1.87 0.11 0.02 0.00 0.00 175.26 177.03 3dhg h TRP 167 N 3.20 1.06 -0.04 5.30 5.08 -1.90 -0.20 115.95 128.44 3dhg h TRP 167 Ca -0.50 0.03 -0.12 0.00 1.08 0.00 0.00 58.89 59.39 3dhg h TRP 167 Cb 1.23 -0.35 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 3dhg h TRP 167 CO 0.55 0.58 -0.51 0.00 -1.28 0.00 0.00 178.44 177.78 3dhg h ALA 168 N 1.39 1.08 -0.38 0.11 0.00 -1.89 -0.89 119.26 118.68 3dhg h ALA 168 Ca 0.37 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3dhg h ALA 168 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dhg h ALA 168 CO -0.14 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.62 3dhg h ALA 169 N 1.40 0.52 -0.52 0.00 0.00 -1.62 0.01 119.26 119.05 3dhg h ALA 169 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3dhg h ALA 169 Cb 0.93 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3dhg h ALA 169 CO 0.07 0.42 0.32 0.82 0.00 0.00 0.00 179.25 180.89 3dhg h ILE 170 N 0.55 1.15 -0.49 0.00 2.04 -0.72 0.81 117.51 120.85 3dhg h ILE 170 Ca 0.09 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.66 3dhg h ILE 170 Cb 0.67 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3dhg h ILE 170 CO 0.05 0.16 0.23 0.00 0.00 0.00 0.00 178.15 178.58 3dhg h ALA 171 N 1.16 0.62 -0.33 1.87 0.00 -0.89 -0.07 119.26 121.63 3dhg h ALA 171 Ca 0.19 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3dhg h ALA 171 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dhg h ALA 171 CO -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.06 3dhg h ALA 172 N 1.29 0.45 -0.41 0.00 0.00 -0.69 -2.57 119.26 117.33 3dhg h ALA 172 Ca 0.22 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3dhg h ALA 172 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dhg h ALA 172 CO -0.18 0.22 -0.14 0.87 0.00 0.00 0.00 179.25 180.02 3dhg h LYS 173 N 0.39 0.75 -0.49 0.00 1.57 -0.64 0.54 116.57 118.70 3dhg h LYS 173 Ca 0.09 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3dhg h LYS 173 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3dhg h LYS 173 CO 0.02 0.85 0.06 1.25 -0.57 0.00 0.00 179.45 181.06 3dhg h HIS 174 N 0.68 0.88 0.93 -1.35 2.76 -1.02 0.42 115.15 118.44 3dhg h HIS 174 Ca 0.11 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 3dhg h HIS 174 Cb 0.62 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.35 3dhg h HIS 174 CO 0.03 0.81 -0.45 0.35 -1.30 0.00 0.00 177.93 177.38 3dhg h PHE 175 N 0.69 -1.15 -0.45 5.26 3.57 -1.30 -2.39 116.94 121.17 3dhg h PHE 175 Ca 0.15 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3dhg h PHE 175 Cb 0.43 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3dhg h PHE 175 CO 0.03 -0.72 0.10 0.74 -2.23 0.00 0.00 178.31 176.24 3dhg h PHE 176 N -1.28 0.69 -0.07 0.41 0.04 -0.86 -1.47 116.94 114.40 3dhg h PHE 176 Ca -0.13 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 3dhg h PHE 176 Cb 0.96 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 3dhg h PHE 176 CO -0.00 0.59 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.53 3dhg h ASP 177 N 0.65 0.13 -0.02 2.17 3.32 -0.23 0.26 116.42 122.70 3dhg h ASP 177 Ca 0.15 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3dhg h ASP 177 Cb 0.26 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.78 3dhg h ASP 177 CO -0.00 0.46 -0.38 -0.78 -1.72 0.00 0.00 179.24 176.82 3dhg h ASP 178 N 0.11 0.37 0.23 6.45 3.58 -0.80 0.27 116.42 126.64 3dhg h ASP 178 Ca 0.01 -0.73 0.00 0.00 0.42 0.00 0.00 57.03 56.73 3dhg h ASP 178 Cb 0.64 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.58 3dhg h ASP 178 CO 0.05 1.05 -1.63 2.30 -2.88 0.00 0.00 179.24 178.13 3dhg n ILE 179 N -4.39 0.13 -0.03 2.25 -5.35 -0.63 -4.40 119.36 106.93 3dhg n ILE 179 Ca -0.09 -0.44 -0.05 0.00 -0.27 0.00 0.00 62.75 61.89 3dhg n ILE 179 Cb 0.55 0.04 -0.02 0.00 -1.74 0.00 0.00 39.64 38.48 3dhg n ILE 179 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3dhg n ILE 180 N -2.24 1.26 0.78 7.28 5.41 0.88 -4.07 119.36 128.66 3dhg n ILE 180 Ca -0.02 0.25 0.11 0.00 1.00 0.00 0.00 62.75 64.08 3dhg n ILE 180 Cb 0.53 -1.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.41 3dhg n ILE 180 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3dhg n THR 181 N -3.94 0.03 -0.65 1.39 -2.24 -1.02 -3.88 114.28 103.97 3dhg n THR 181 Ca -0.08 -0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 3dhg n THR 181 Cb 0.30 0.63 0.23 0.00 -2.10 0.00 0.00 70.33 69.39 3dhg n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dhg n GLY 182 N 1.44 3.41 3.27 3.38 0.00 0.93 -4.97 105.19 112.65 3dhg n GLY 182 Ca 0.03 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 3dhg n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhg s ARG 183 N -2.04 1.40 1.00 1.61 0.52 -1.26 -4.96 118.95 115.21 3dhg s ARG 183 Ca 0.36 -1.77 -0.12 0.00 -0.52 0.00 0.00 55.73 53.69 3dhg s ARG 183 Cb 0.26 0.03 0.19 0.00 0.52 0.00 0.00 34.95 35.96 3dhg s ARG 183 CO 0.13 -0.40 1.08 0.16 0.02 0.00 0.00 175.30 176.29 3dhg s ASP 184 N -3.27 2.39 0.19 0.23 1.47 -1.25 -4.74 116.67 111.68 3dhg s ASP 184 Ca 0.38 1.66 -0.12 0.00 1.18 0.00 0.00 52.55 55.65 3dhg s ASP 184 Cb 0.06 -2.31 0.21 0.00 -0.34 0.00 0.00 42.92 40.54 3dhg s ASP 184 CO 0.15 -3.35 1.73 0.00 0.68 0.00 0.00 175.17 174.39 3dhg h ALA 185 N -2.04 0.62 -0.28 2.11 0.00 -0.61 -1.86 119.26 117.21 3dhg h ALA 185 Ca -0.52 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 3dhg h ALA 185 Cb 1.30 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3dhg h ALA 185 CO 0.50 -0.26 -0.45 0.82 0.00 0.00 0.00 179.25 179.86 3dhg h ILE 186 N 0.30 1.29 -0.60 0.00 1.08 -1.72 -1.01 117.51 116.85 3dhg h ILE 186 Ca 0.26 -1.64 0.07 0.00 -0.39 0.00 0.00 64.86 63.16 3dhg h ILE 186 Cb 0.33 1.56 -0.06 0.00 -3.07 0.00 0.00 36.82 35.58 3dhg h ILE 186 CO -0.30 0.53 0.28 0.28 -0.69 0.00 0.00 178.15 178.25 3dhg h SER 187 N 0.57 0.36 -0.08 1.72 0.02 -1.76 -1.11 113.55 113.26 3dhg h SER 187 Ca 0.04 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3dhg h SER 187 Cb 1.01 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 3dhg h SER 187 CO 0.10 0.23 0.04 0.58 -1.14 0.00 0.00 176.83 176.63 3dhg h VAL 188 N 0.51 1.10 -0.56 2.27 2.07 -0.85 0.48 116.25 121.28 3dhg h VAL 188 Ca 0.29 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.62 3dhg h VAL 188 Cb 0.27 1.15 -0.10 0.00 -1.52 0.00 0.00 31.29 31.10 3dhg h VAL 188 CO -0.24 0.09 -0.02 0.00 0.02 0.00 0.00 177.57 177.42 3dhg h ALA 189 N 0.93 0.51 0.02 1.67 0.00 -0.86 0.17 119.26 121.70 3dhg h ALA 189 Ca 0.03 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3dhg h ALA 189 Cb 0.11 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dhg h ALA 189 CO -0.00 -0.40 -0.65 0.82 0.00 0.00 0.00 179.25 179.02 3dhg h ILE 190 N 0.10 1.44 0.21 0.00 2.04 -0.78 -2.30 117.51 118.21 3dhg h ILE 190 Ca 0.28 -2.16 -0.34 0.00 1.00 0.00 0.00 64.86 63.64 3dhg h ILE 190 Cb 0.45 2.70 0.02 0.00 -0.74 0.00 0.00 36.82 39.24 3dhg h ILE 190 CO -0.49 0.63 -1.62 0.24 0.00 0.00 0.00 178.15 176.91 3dhg h MET 191 N -0.14 0.44 0.00 2.37 2.86 0.22 -1.52 114.93 119.17 3dhg h MET 191 Ca -0.09 -0.76 -0.01 0.00 -2.06 0.00 0.00 59.70 56.79 3dhg h MET 191 Cb 1.38 0.28 -0.00 0.00 0.06 0.00 0.00 31.60 33.32 3dhg h MET 191 CO 0.13 1.36 -0.22 1.25 1.06 0.00 0.00 176.91 180.49 3dhg h LEU 192 N 0.12 0.00 0.04 1.22 5.85 -0.81 -2.60 115.31 119.13 3dhg h LEU 192 Ca -0.30 -0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.15 3dhg h LEU 192 Cb 2.12 0.00 0.02 0.00 0.37 0.00 0.00 40.66 43.17 3dhg h LEU 192 CO 0.22 0.63 -0.93 0.71 -0.34 0.00 0.00 178.44 178.73 3dhg h THR 193 N -1.00 1.34 0.02 1.05 1.35 -1.31 0.11 112.91 114.48 3dhg h THR 193 Ca -0.01 -2.26 -0.00 0.00 -0.55 0.00 0.00 66.41 63.60 3dhg h THR 193 Cb 0.25 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3dhg h THR 193 CO -0.00 0.68 -0.01 0.15 -0.25 0.00 0.00 175.52 176.08 3dhg h PHE 194 N 0.16 -0.03 -0.02 4.73 3.57 -1.41 -0.30 116.94 123.64 3dhg h PHE 194 Ca -0.13 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.25 3dhg h PHE 194 Cb 1.62 0.01 0.01 0.00 2.79 0.00 0.00 35.95 40.38 3dhg h PHE 194 CO 0.13 0.27 -0.47 0.77 -2.23 0.00 0.00 178.31 176.78 3dhg h SER 195 N -1.00 0.44 0.00 0.41 0.02 -1.38 -2.51 113.55 109.53 3dhg h SER 195 Ca -0.00 -0.74 -0.13 0.00 -0.84 0.00 0.00 61.79 60.07 3dhg h SER 195 Cb 0.31 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3dhg h SER 195 CO 0.01 1.12 -0.97 0.33 -1.14 0.00 0.00 176.83 176.17 3dhg n PHE 196 N -4.32 0.91 0.09 3.45 7.35 -0.98 -3.34 117.46 120.62 3dhg n PHE 196 Ca -0.10 0.39 -0.12 0.00 -0.76 0.00 0.00 57.45 56.87 3dhg n PHE 196 Cb 0.60 -0.93 -0.08 0.00 0.35 0.00 0.00 39.48 39.42 3dhg n PHE 196 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3dhg h GLU 197 N -1.00 -0.26 -0.48 -4.13 5.08 -0.86 0.22 114.58 113.15 3dhg h GLU 197 Ca -0.20 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3dhg h GLU 197 Cb 0.95 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3dhg h GLU 197 CO -0.12 0.13 0.03 1.15 -1.00 0.00 0.00 179.01 179.20 3dhg h THR 198 N -0.79 1.26 0.01 1.13 2.02 -1.05 -2.17 112.91 113.31 3dhg h THR 198 Ca -0.03 -1.02 -0.21 0.00 0.77 0.00 0.00 66.41 65.93 3dhg h THR 198 Cb 0.51 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3dhg h THR 198 CO 0.05 0.36 -0.98 1.23 0.37 0.00 0.00 175.52 176.54 3dhg h GLY 199 N 0.69 0.04 0.00 2.16 0.00 -1.45 -3.42 103.07 101.09 3dhg h GLY 199 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3dhg h GLY 199 CO 0.02 0.09 -0.24 0.69 0.00 0.00 0.00 176.54 177.10 3dhg n PHE 200 N -3.43 -0.50 0.04 5.60 3.72 0.66 -4.83 117.46 118.71 3dhg n PHE 200 Ca -0.01 0.09 -0.07 0.00 -0.05 0.00 0.00 57.45 57.41 3dhg n PHE 200 Cb 0.91 0.16 0.10 0.00 -0.94 0.00 0.00 39.48 39.71 3dhg n PHE 200 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dhg h THR 201 N 0.00 1.34 -0.19 4.37 1.35 -1.21 -1.20 112.91 117.36 3dhg h THR 201 Ca 0.00 -1.80 0.05 0.00 -0.55 0.00 0.00 66.41 64.12 3dhg h THR 201 Cb 0.24 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.41 3dhg h THR 201 CO 0.00 0.55 -0.23 -1.13 -0.25 0.00 0.00 175.52 174.46 3dhg h ASN 202 N 0.34 -0.72 0.20 5.36 -1.24 -1.64 0.34 115.58 118.21 3dhg h ASN 202 Ca 0.01 0.13 -0.19 0.00 0.71 0.00 0.00 56.30 56.95 3dhg h ASN 202 Cb 1.05 0.33 -0.00 0.00 0.73 0.00 0.00 38.32 40.43 3dhg h ASN 202 CO 0.09 -0.27 -0.74 0.24 -1.29 0.00 0.00 177.43 175.46 3dhg h MET 203 N -0.26 0.46 -0.27 6.67 2.86 -1.81 -2.87 114.93 119.71 3dhg h MET 203 Ca 0.12 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.42 3dhg h MET 203 Cb 0.44 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 3dhg h MET 203 CO -0.34 1.02 0.03 0.37 1.06 0.00 0.00 176.91 179.05 3dhg h GLN 204 N 0.31 0.12 -0.59 1.72 4.15 -0.95 -1.58 115.11 118.29 3dhg h GLN 204 Ca -0.04 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 3dhg h GLN 204 Cb 1.33 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 3dhg h GLN 204 CO 0.13 0.08 0.07 0.74 -1.93 0.00 0.00 178.83 177.92 3dhg h PHE 205 N 0.12 1.02 -0.46 3.99 -1.00 -0.93 0.60 116.94 120.29 3dhg h PHE 205 Ca 0.13 -0.14 0.05 0.00 2.81 0.00 0.00 57.97 60.82 3dhg h PHE 205 Cb 0.15 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.38 3dhg h PHE 205 CO -0.19 0.88 0.21 -0.07 -1.61 0.00 0.00 178.31 177.54 3dhg h LEU 206 N 0.91 0.27 -0.40 1.54 3.38 -1.29 -0.66 115.31 119.06 3dhg h LEU 206 Ca 0.18 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3dhg h LEU 206 Cb 0.43 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3dhg h LEU 206 CO 0.01 0.20 0.07 1.23 0.09 0.00 0.00 178.44 180.04 3dhg h GLY 207 N 0.41 0.71 1.00 0.83 0.00 -0.84 -2.59 103.07 102.60 3dhg h GLY 207 Ca 0.21 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3dhg h GLY 207 CO -0.17 0.43 0.36 -2.00 0.00 0.00 0.00 176.54 175.16 3dhg h LEU 208 N 0.51 0.66 -0.68 3.11 5.85 -0.67 0.86 115.31 124.96 3dhg h LEU 208 Ca 0.12 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3dhg h LEU 208 Cb 0.36 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3dhg h LEU 208 CO 0.01 0.50 0.45 0.00 -0.34 0.00 0.00 178.44 179.06 3dhg h ALA 209 N 1.19 0.86 -0.45 1.25 0.00 -1.05 -0.09 119.26 120.96 3dhg h ALA 209 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dhg h ALA 209 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3dhg h ALA 209 CO -0.04 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.60 3dhg h ALA 210 N 1.25 0.60 -0.79 0.00 0.00 -1.03 -2.50 119.26 116.79 3dhg h ALA 210 Ca 0.25 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dhg h ALA 210 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3dhg h ALA 210 CO -0.06 0.28 0.52 -0.44 0.00 0.00 0.00 179.25 179.56 3dhg h ASP 211 N 0.60 0.84 -0.45 0.00 3.32 -0.60 -1.41 116.42 118.72 3dhg h ASP 211 Ca 0.14 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3dhg h ASP 211 Cb 0.32 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3dhg h ASP 211 CO 0.00 0.58 0.16 0.00 -1.72 0.00 0.00 179.24 178.26 3dhg h ALA 212 N 1.54 0.58 -0.52 3.45 0.00 -0.83 0.22 119.26 123.70 3dhg h ALA 212 Ca 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3dhg h ALA 212 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3dhg h ALA 212 CO -0.09 0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.45 3dhg h ALA 213 N 1.01 0.69 -0.76 0.00 0.00 -1.20 0.09 119.26 119.10 3dhg h ALA 213 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3dhg h ALA 213 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3dhg h ALA 213 CO -0.01 0.43 0.48 1.49 0.00 0.00 0.00 179.25 181.64 3dhg h GLU 214 N 0.75 1.02 0.00 0.00 4.57 -1.03 -0.54 114.58 119.35 3dhg h GLU 214 Ca 0.16 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3dhg h GLU 214 Cb 0.41 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3dhg h GLU 214 CO 0.01 0.70 0.00 0.00 -1.18 0.00 0.00 179.01 178.54 3dhg n ALA 215 N -2.42 2.38 -1.22 2.92 0.00 0.04 -4.89 120.51 117.32 3dhg n ALA 215 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 3dhg n ALA 215 Cb 0.05 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 3dhg n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhg n GLY 216 N 0.66 0.83 3.21 0.00 0.00 -0.21 -4.86 105.19 104.83 3dhg n GLY 216 Ca 0.17 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3dhg n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dhg s ASP 217 N -2.93 6.09 0.17 1.61 -1.08 -0.05 -4.91 116.67 115.57 3dhg s ASP 217 Ca 0.00 -2.90 0.11 0.00 -0.52 0.00 0.00 52.55 49.24 3dhg s ASP 217 Cb 0.00 -2.04 -0.10 0.00 -1.46 0.00 0.00 42.92 39.32 3dhg s ASP 217 CO 0.00 -0.44 1.26 1.88 0.52 0.00 0.00 175.17 178.39 3dhg h TYR 218 N 7.26 0.00 -0.10 -5.34 0.05 -1.91 -1.13 116.97 115.79 3dhg h TYR 218 Ca 0.07 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.87 3dhg h TYR 218 Cb 0.98 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 3dhg h TYR 218 CO 0.87 0.77 -0.03 1.15 -1.05 0.00 0.00 178.16 179.87 3dhg h THR 219 N 0.00 0.88 -0.24 -2.88 2.02 -1.90 -0.18 112.91 110.61 3dhg h THR 219 Ca -0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3dhg h THR 219 Cb 1.62 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3dhg h THR 219 CO 0.09 0.00 -0.06 0.15 0.37 0.00 0.00 175.52 176.08 3dhg h PHE 220 N -0.01 0.51 -0.67 3.16 3.57 -1.94 -0.47 116.94 121.10 3dhg h PHE 220 Ca 0.05 -0.11 0.13 0.00 3.53 0.00 0.00 57.97 61.57 3dhg h PHE 220 Cb 0.09 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.61 3dhg h PHE 220 CO -0.16 0.68 0.18 0.00 -2.23 0.00 0.00 178.31 176.78 3dhg h ALA 221 N 0.76 0.85 -0.17 2.41 0.00 -1.14 0.56 119.26 122.53 3dhg h ALA 221 Ca 0.06 0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 3dhg h ALA 221 Cb 0.52 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3dhg h ALA 221 CO 0.02 -0.29 -0.71 -0.97 0.00 0.00 0.00 179.25 177.30 3dhg h ASN 222 N 0.30 0.83 0.16 0.00 -1.24 -0.90 -2.03 115.58 112.72 3dhg h ASN 222 Ca 0.36 -0.52 0.02 0.00 0.71 0.00 0.00 56.30 56.87 3dhg h ASN 222 Cb 0.57 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 3dhg h ASN 222 CO -0.43 1.30 -0.33 0.25 -1.29 0.00 0.00 177.43 176.92 3dhg h LEU 223 N 0.50 -0.95 -0.75 0.34 5.85 -0.49 -0.75 115.31 119.06 3dhg h LEU 223 Ca -0.03 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3dhg h LEU 223 Cb 1.32 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 3dhg h LEU 223 CO 0.14 -0.43 0.13 0.40 -0.34 0.00 0.00 178.44 178.34 3dhg h ILE 224 N -0.59 1.26 -0.43 4.05 1.08 -0.86 -1.21 117.51 120.81 3dhg h ILE 224 Ca 0.02 -0.99 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 3dhg h ILE 224 Cb 0.60 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 3dhg h ILE 224 CO -0.17 0.38 0.27 0.28 -0.69 0.00 0.00 178.15 178.22 3dhg h SER 225 N 1.02 0.46 -0.48 1.72 0.02 -1.32 -0.48 113.55 114.48 3dhg h SER 225 Ca 0.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3dhg h SER 225 Cb 0.40 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3dhg h SER 225 CO 0.01 0.33 0.26 -1.28 -1.14 0.00 0.00 176.83 175.01 3dhg h SER 226 N 0.55 0.61 -0.70 3.07 0.87 -0.63 -2.35 113.55 114.97 3dhg h SER 226 Ca 0.16 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3dhg h SER 226 Cb -0.03 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 3dhg h SER 226 CO -0.05 0.53 0.30 0.40 -0.53 0.00 0.00 176.83 177.48 3dhg h ILE 227 N 0.64 1.24 0.00 2.23 2.04 -0.96 -2.64 117.51 120.07 3dhg h ILE 227 Ca 0.17 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3dhg h ILE 227 Cb 0.06 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3dhg h ILE 227 CO -0.03 0.29 -0.10 -0.61 0.00 0.00 0.00 178.15 177.71 3dhg h GLN 228 N 0.98 0.00 0.00 2.37 -0.00 -0.72 -1.29 115.11 116.45 3dhg h GLN 228 Ca 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.88 3dhg h GLN 228 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.65 3dhg h GLN 228 CO -0.02 0.10 -0.00 1.79 0.00 0.00 0.00 178.83 180.69 3dhg h THR 229 N 0.00 0.02 0.00 2.39 1.35 -1.04 -1.76 112.91 113.87 3dhg h THR 229 Ca -0.00 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.52 3dhg h THR 229 Cb 0.17 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3dhg h THR 229 CO 0.01 0.00 -0.25 0.44 -0.25 0.00 0.00 175.52 175.48 3dhg h ASP 230 N 0.00 0.00 0.31 5.36 3.32 -1.31 -3.41 116.42 120.70 3dhg h ASP 230 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dhg h ASP 230 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3dhg h ASP 230 CO 0.00 0.21 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.45 3dhg h GLU 231 N 0.00 -0.48 -0.60 3.56 4.57 -1.39 -2.96 114.58 117.27 3dhg h GLU 231 Ca -0.00 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.32 3dhg h GLU 231 Cb 1.16 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 3dhg h GLU 231 CO 0.03 -0.32 0.40 0.66 -1.18 0.00 0.00 179.01 178.60 3dhg h SER 232 N -0.50 0.31 -0.74 1.04 4.64 -1.79 0.23 113.55 116.74 3dhg h SER 232 Ca -0.03 0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.46 3dhg h SER 232 Cb 0.42 -0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.34 3dhg h SER 232 CO 0.03 0.18 0.19 -0.09 -0.87 0.00 0.00 176.83 176.27 3dhg h ARG 233 N 0.34 0.28 0.00 4.77 2.43 -1.81 -2.71 114.38 117.67 3dhg h ARG 233 Ca 0.28 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 3dhg h ARG 233 Cb 0.64 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3dhg h ARG 233 CO -0.07 0.18 -1.45 -2.39 -1.51 0.00 0.00 179.97 174.73 3dhg n HIS 234 N -5.14 0.00 0.32 2.20 1.44 -0.79 -4.50 115.22 108.75 3dhg n HIS 234 Ca 0.14 0.00 0.20 0.00 -2.01 0.00 0.00 57.72 56.06 3dhg n HIS 234 Cb 0.46 -0.28 1.07 0.00 0.12 0.00 0.00 29.99 31.36 3dhg n HIS 234 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dhg h ALA 235 N 0.60 1.10 0.00 1.59 0.00 -0.58 -2.90 119.26 119.06 3dhg h ALA 235 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dhg h ALA 235 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3dhg h ALA 235 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3dhg n GLN 236 N -3.24 0.00 0.16 0.00 10.64 -1.03 -3.80 117.38 120.12 3dhg n GLN 236 Ca -0.02 0.36 0.04 0.00 -1.83 0.00 0.00 57.00 55.54 3dhg n GLN 236 Cb 0.12 -1.51 0.19 0.00 -0.86 0.00 0.00 30.24 28.18 3dhg n GLN 236 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3dhg h GLN 237 N 0.00 0.00 0.00 2.61 4.20 -1.83 -3.35 115.11 116.75 3dhg h GLN 237 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3dhg h GLN 237 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.94 3dhg h GLN 237 CO 0.00 0.47 -0.68 0.78 -0.67 0.00 0.00 178.83 178.73 3dhg h GLY 238 N 2.61 0.51 -0.11 3.46 0.00 -1.66 -3.22 103.07 104.66 3dhg h GLY 238 Ca -0.00 -0.90 0.08 0.00 0.00 0.00 0.00 47.33 46.51 3dhg h GLY 238 CO 0.06 0.79 -0.30 -1.33 0.00 0.00 0.00 176.54 175.77 3dhg h GLY 239 N -0.03 -0.18 1.94 4.60 0.00 -1.84 -0.01 103.07 107.55 3dhg h GLY 239 Ca -0.09 0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3dhg h GLY 239 CO 0.13 -0.21 -0.15 -2.55 0.00 0.00 0.00 176.54 173.76 3dhg h PRO 240 N -0.24 0.08 -0.31 4.80 0.11 -1.75 -0.14 132.00 134.56 3dhg h PRO 240 Ca 0.17 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 3dhg h PRO 240 Cb 0.52 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3dhg h PRO 240 CO -0.52 0.23 -0.20 0.00 -0.21 0.00 0.00 178.00 177.30 3dhg h ALA 241 N 1.78 0.44 -0.26 -0.75 0.00 -1.33 -1.96 119.26 117.18 3dhg h ALA 241 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3dhg h ALA 241 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dhg h ALA 241 CO 0.02 0.39 0.15 -0.07 0.00 0.00 0.00 179.25 179.74 3dhg h LEU 242 N 0.43 0.24 -0.63 0.00 3.38 -0.46 -0.83 115.31 117.44 3dhg h LEU 242 Ca 0.06 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.15 3dhg h LEU 242 Cb 0.75 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 3dhg h LEU 242 CO 0.06 0.18 0.15 1.56 0.09 0.00 0.00 178.44 180.47 3dhg h GLN 243 N 0.31 0.27 -0.37 1.13 4.20 -1.01 0.11 115.11 119.75 3dhg h GLN 243 Ca 0.10 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3dhg h GLN 243 Cb -0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3dhg h GLN 243 CO -0.05 0.18 -0.06 1.25 -0.67 0.00 0.00 178.83 179.48 3dhg h LEU 244 N 0.28 0.69 -0.34 1.46 6.46 -0.81 -0.07 115.31 122.98 3dhg h LEU 244 Ca 0.33 -0.34 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3dhg h LEU 244 Cb 0.50 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 3dhg h LEU 244 CO -0.42 0.87 0.17 -0.07 -0.62 0.00 0.00 178.44 178.37 3dhg h LEU 245 N 0.49 0.25 -1.38 2.25 3.38 -0.83 -1.66 115.31 117.81 3dhg h LEU 245 Ca 0.10 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dhg h LEU 245 Cb 0.55 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3dhg h LEU 245 CO 0.03 0.19 0.42 0.40 0.09 0.00 0.00 178.44 179.57 3dhg h ILE 246 N 0.35 1.16 0.00 1.22 2.04 -0.50 -0.28 117.51 121.49 3dhg h ILE 246 Ca 0.14 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3dhg h ILE 246 Cb 0.05 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3dhg h ILE 246 CO -0.10 0.16 -0.02 -0.33 0.00 0.00 0.00 178.15 177.86 3dhg h GLU 247 N 0.86 0.00 -0.31 2.37 5.08 -0.71 -3.29 114.58 118.57 3dhg h GLU 247 Ca 0.24 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 3dhg h GLU 247 Cb -0.08 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.05 3dhg h GLU 247 CO -0.05 0.02 -0.25 0.09 -1.00 0.00 0.00 179.01 177.81 3dhg n ASN 248 N -3.11 2.65 -0.14 1.42 4.13 -0.33 -4.95 115.26 114.92 3dhg n ASN 248 Ca 0.01 -3.83 -0.02 0.00 1.68 0.00 0.00 54.58 52.43 3dhg n ASN 248 Cb 0.38 -0.59 -0.01 0.00 -1.54 0.00 0.00 39.78 38.02 3dhg n ASN 248 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dhg n GLY 249 N -1.08 0.53 0.81 7.41 0.00 -1.07 -4.94 105.19 106.86 3dhg n GLY 249 Ca 0.31 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.54 3dhg n GLY 249 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dhg n LYS 250 N -2.87 1.83 -0.37 1.61 4.76 -0.27 -4.79 118.16 118.07 3dhg n LYS 250 Ca -0.02 -3.39 0.01 0.00 -2.87 0.00 0.00 58.31 52.04 3dhg n LYS 250 Cb 0.07 -1.71 0.16 0.00 -1.84 0.00 0.00 35.03 31.71 3dhg n LYS 250 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3dhg h ARG 251 N 1.13 1.16 -0.55 1.97 2.43 -1.81 -0.82 114.38 117.88 3dhg h ARG 251 Ca 0.06 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3dhg h ARG 251 Cb 1.12 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3dhg h ARG 251 CO 0.12 0.77 -0.03 0.93 -1.51 0.00 0.00 179.97 180.25 3dhg h GLU 252 N 1.19 1.00 -0.34 0.20 5.08 -1.95 0.47 114.58 120.24 3dhg h GLU 252 Ca 0.41 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3dhg h GLU 252 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3dhg h GLU 252 CO -0.16 1.01 -0.30 0.93 -1.00 0.00 0.00 179.01 179.50 3dhg h GLU 253 N 0.88 0.72 -0.30 2.33 3.07 -1.88 -1.40 114.58 118.01 3dhg h GLU 253 Ca 0.15 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.65 3dhg h GLU 253 Cb 0.58 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3dhg h GLU 253 CO 0.03 0.93 0.04 0.00 -1.40 0.00 0.00 179.01 178.62 3dhg h ALA 254 N 1.05 0.40 -0.41 3.43 0.00 -0.79 -2.54 119.26 120.40 3dhg h ALA 254 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3dhg h ALA 254 Cb 0.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3dhg h ALA 254 CO 0.07 0.09 0.22 0.37 0.00 0.00 0.00 179.25 180.00 3dhg h GLN 255 N 0.32 0.57 -0.96 0.00 5.75 -0.86 -2.07 115.11 117.86 3dhg h GLN 255 Ca 0.09 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 3dhg h GLN 255 Cb 0.35 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.72 3dhg h GLN 255 CO 0.01 0.46 0.61 -0.22 -2.65 0.00 0.00 178.83 177.04 3dhg h LYS 256 N 0.53 1.06 -0.07 1.69 3.64 -1.18 0.79 116.57 123.02 3dhg h LYS 256 Ca 0.14 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.22 3dhg h LYS 256 Cb 0.06 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3dhg h LYS 256 CO -0.02 0.70 -0.89 0.87 -2.27 0.00 0.00 179.45 177.84 3dhg h LYS 257 N 1.09 0.68 -0.36 1.90 1.57 -1.17 -1.83 116.57 118.45 3dhg h LYS 257 Ca 0.42 -0.63 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3dhg h LYS 257 Cb 0.20 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3dhg h LYS 257 CO -0.18 1.24 0.20 0.28 -0.57 0.00 0.00 179.45 180.42 3dhg h VAL 258 N 0.43 1.03 -0.22 0.50 2.07 -1.19 -1.89 116.25 116.98 3dhg h VAL 258 Ca -0.08 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3dhg h VAL 258 Cb 1.53 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3dhg h VAL 258 CO 0.17 0.08 0.12 0.44 0.02 0.00 0.00 177.57 178.40 3dhg h ASP 259 N 0.42 0.18 -0.25 0.57 3.32 -0.66 -1.47 116.42 118.53 3dhg h ASP 259 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dhg h ASP 259 Cb 0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3dhg h ASP 259 CO -0.07 0.14 0.15 -0.03 -1.72 0.00 0.00 179.24 177.71 3dhg h MET 260 N 0.25 0.33 -0.37 3.56 1.85 -1.33 -2.85 114.93 116.37 3dhg h MET 260 Ca 0.09 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.99 3dhg h MET 260 Cb 0.01 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 3dhg h MET 260 CO -0.05 0.27 -0.39 0.00 -0.40 0.00 0.00 176.91 176.33 3dhg h ALA 261 N 1.05 0.60 -0.72 0.39 0.00 -1.06 -1.66 119.26 117.85 3dhg h ALA 261 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3dhg h ALA 261 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3dhg h ALA 261 CO -0.02 0.68 0.45 0.82 0.00 0.00 0.00 179.25 181.18 3dhg h ILE 262 N 0.74 1.20 -0.20 0.00 2.04 -1.31 -1.02 117.51 118.96 3dhg h ILE 262 Ca 0.06 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3dhg h ILE 262 Cb 0.98 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3dhg h ILE 262 CO 0.10 0.20 0.06 -0.25 0.00 0.00 0.00 178.15 178.26 3dhg h TRP 263 N 0.98 0.32 -0.61 1.37 2.91 -1.23 -0.52 115.95 119.17 3dhg h TRP 263 Ca 0.26 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.22 3dhg h TRP 263 Cb -0.06 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 3dhg h TRP 263 CO -0.02 0.40 0.27 0.00 -1.03 0.00 0.00 178.44 178.06 3dhg h ARG 264 N 0.15 0.90 -0.54 2.65 3.08 -1.20 -1.69 114.38 117.73 3dhg h ARG 264 Ca 0.06 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3dhg h ARG 264 Cb 0.23 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3dhg h ARG 264 CO -0.00 0.75 0.35 0.00 -1.07 0.00 0.00 179.97 180.00 3dhg h ALA 265 N 1.11 0.68 -0.40 0.04 0.00 -1.07 -2.92 119.26 116.70 3dhg h ALA 265 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3dhg h ALA 265 Cb 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3dhg h ALA 265 CO -0.02 0.12 0.16 2.35 0.00 0.00 0.00 179.25 181.86 3dhg h TRP 266 N 0.72 0.30 -0.60 0.00 2.91 -0.23 -0.73 115.95 118.32 3dhg h TRP 266 Ca 0.20 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 3dhg h TRP 266 Cb -0.08 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 3dhg h TRP 266 CO -0.04 0.14 0.27 0.00 -1.03 0.00 0.00 178.44 177.78 3dhg h ARG 267 N 0.34 0.88 -0.43 2.65 2.47 -1.18 0.59 114.38 119.71 3dhg h ARG 267 Ca 0.18 -0.14 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 3dhg h ARG 267 Cb 0.13 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 3dhg h ARG 267 CO -0.16 0.73 -0.10 1.25 0.56 0.00 0.00 179.97 182.25 3dhg h LEU 268 N 0.83 0.82 -0.82 3.04 5.85 -1.38 -2.92 115.31 120.74 3dhg h LEU 268 Ca 0.20 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3dhg h LEU 268 Cb 0.15 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3dhg h LEU 268 CO -0.02 0.99 0.49 0.15 -0.34 0.00 0.00 178.44 179.71 3dhg h PHE 269 N 0.64 0.89 -0.15 1.25 3.57 -0.60 -1.84 116.94 120.71 3dhg h PHE 269 Ca 0.11 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3dhg h PHE 269 Cb 0.63 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3dhg h PHE 269 CO 0.05 0.41 -0.21 0.00 -2.23 0.00 0.00 178.31 176.33 3dhg h ALA 270 N 1.42 1.37 0.07 2.41 0.00 -0.73 0.13 119.26 123.93 3dhg h ALA 270 Ca 0.38 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 3dhg h ALA 270 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3dhg h ALA 270 CO -0.21 0.43 -1.48 -0.24 0.00 0.00 0.00 179.25 177.75 3dhg h VAL 271 N 0.24 1.18 0.11 0.00 3.04 -1.29 -3.22 116.25 116.30 3dhg h VAL 271 Ca 0.04 -2.88 -0.35 0.00 -1.01 0.00 0.00 66.70 62.49 3dhg h VAL 271 Cb 0.51 2.69 -0.02 0.00 -2.01 0.00 0.00 31.29 32.45 3dhg h VAL 271 CO 0.03 0.78 -1.94 0.18 -1.01 0.00 0.00 177.57 175.61 3dhg n LEU 272 N -3.34 2.38 -0.05 3.16 4.77 -0.73 -4.56 117.00 118.63 3dhg n LEU 272 Ca -0.14 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3dhg n LEU 272 Cb 1.02 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3dhg n LEU 272 CO 0.48 0.79 -0.85 0.41 -1.33 0.00 0.00 177.39 176.89 3dhg n THR 273 N -3.42 0.62 -0.28 -5.08 -1.04 -0.03 -4.49 114.28 100.56 3dhg n THR 273 Ca -0.29 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.05 61.38 3dhg n THR 273 Cb 1.05 -0.87 -0.04 0.00 -1.82 0.00 0.00 70.33 68.65 3dhg n THR 273 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3dhg h GLY 274 N 0.98 -0.46 1.71 3.41 0.00 -1.40 -1.82 103.07 105.49 3dhg h GLY 274 Ca -0.24 0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 3dhg h GLY 274 CO -0.03 -0.12 -0.09 -2.55 0.00 0.00 0.00 176.54 173.75 3dhg h PRO 275 N -0.15 0.36 -0.21 4.80 0.11 -1.80 -2.67 132.00 132.44 3dhg h PRO 275 Ca 0.20 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.24 3dhg h PRO 275 Cb 0.54 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3dhg h PRO 275 CO -0.79 0.46 0.12 0.28 -0.21 0.00 0.00 178.00 177.86 3dhg h VAL 276 N 0.34 1.02 -0.31 3.15 2.07 -1.57 0.12 116.25 121.07 3dhg h VAL 276 Ca 0.07 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 3dhg h VAL 276 Cb 0.37 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3dhg h VAL 276 CO 0.02 0.05 -0.42 0.24 0.02 0.00 0.00 177.57 177.48 3dhg h MET 277 N 0.25 0.77 0.00 1.57 2.86 -1.13 -0.74 114.93 118.52 3dhg h MET 277 Ca 0.08 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3dhg h MET 277 Cb -0.00 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3dhg h MET 277 CO -0.04 1.04 -1.29 -0.25 1.06 0.00 0.00 176.91 177.43 3dhg n ASP 278 N -4.03 0.64 0.00 1.22 9.92 -1.10 -4.58 116.55 118.61 3dhg n ASP 278 Ca -0.02 -0.57 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 3dhg n ASP 278 Cb 0.55 1.24 0.00 0.00 -0.64 0.00 0.00 41.12 42.27 3dhg n ASP 278 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3dhg n TYR 279 N -1.79 0.00 -0.11 1.24 4.01 0.39 -4.93 117.16 115.97 3dhg n TYR 279 Ca 0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.51 3dhg n TYR 279 Cb 0.42 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.33 3dhg n TYR 279 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dhg n TYR 280 N -1.03 0.74 -1.67 -0.72 0.53 -0.40 -4.23 117.16 110.38 3dhg n TYR 280 Ca 0.00 0.31 -0.46 0.00 -1.02 0.00 0.00 57.90 56.73 3dhg n TYR 280 Cb 0.17 -1.08 -0.04 0.00 -1.03 0.00 0.00 39.34 37.36 3dhg n TYR 280 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 3dhg n THR 281 N -4.32 0.12 -1.80 -0.72 -1.04 -0.51 -4.41 114.28 101.60 3dhg n THR 281 Ca -0.38 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.22 3dhg n THR 281 Cb 0.76 -1.64 0.03 0.00 -1.82 0.00 0.00 70.33 67.67 3dhg n THR 281 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3dhg s PRO 282 N 1.58 3.31 0.19 -2.82 0.02 -1.26 -4.82 135.00 131.20 3dhg s PRO 282 Ca 0.81 2.27 -0.22 0.00 0.02 0.00 0.00 61.00 63.88 3dhg s PRO 282 Cb -0.67 -2.37 0.12 0.00 0.02 0.00 0.00 34.50 31.60 3dhg s PRO 282 CO 0.40 -1.07 1.56 1.25 -0.33 0.00 0.00 177.00 178.82 3dhg h LEU 283 N 1.72 -1.49 -2.35 -5.54 5.85 -1.94 -0.67 115.31 110.89 3dhg h LEU 283 Ca -0.51 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3dhg h LEU 283 Cb 1.29 0.72 0.00 0.00 0.37 0.00 0.00 40.66 43.04 3dhg h LEU 283 CO 0.58 -0.30 0.00 1.05 -0.34 0.00 0.00 178.44 179.43 3dhg h GLU 284 N -0.10 0.00 -0.69 1.25 9.09 -2.02 -0.79 114.58 121.32 3dhg h GLU 284 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 3dhg h GLU 284 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 3dhg h GLU 284 CO -0.83 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 177.98 3dhg n ASP 285 N -3.02 3.86 -4.56 3.06 8.00 -0.28 -4.88 116.55 118.73 3dhg n ASP 285 Ca -0.02 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.06 3dhg n ASP 285 Cb 0.15 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 3dhg n ASP 285 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dhg s ARG 286 N -1.03 3.46 0.22 -1.24 0.52 -0.30 -4.87 118.95 115.70 3dhg s ARG 286 Ca 0.47 0.06 -0.06 0.00 -0.52 0.00 0.00 55.73 55.68 3dhg s ARG 286 Cb 0.24 -4.02 0.19 0.00 0.52 0.00 0.00 34.95 31.89 3dhg s ARG 286 CO 0.32 -1.56 1.72 1.03 0.02 0.00 0.00 175.30 176.83 3dhg h SER 287 N 9.41 0.95 -5.47 0.23 0.87 -1.90 -3.48 113.55 114.18 3dhg h SER 287 Ca -0.25 -0.23 0.20 0.00 -1.23 0.00 0.00 61.79 60.28 3dhg h SER 287 Cb 1.06 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.71 3dhg h SER 287 CO 1.14 0.97 0.61 0.00 -0.53 0.00 0.00 176.83 179.02 3dhg s GLN 288 N -5.13 1.10 0.55 2.24 -2.07 -1.26 -5.14 119.66 109.95 3dhg s GLN 288 Ca -0.11 -0.67 0.02 0.00 -1.82 0.00 0.00 55.36 52.78 3dhg s GLN 288 Cb 0.15 0.33 0.04 0.00 -1.09 0.00 0.00 33.01 32.43 3dhg s GLN 288 CO 0.84 -0.51 0.77 -1.54 -1.32 0.00 0.00 175.29 173.53 3dhg s SER 289 N -3.25 5.24 0.20 12.60 1.04 -1.26 -4.88 113.70 123.39 3dhg s SER 289 Ca 0.19 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.43 3dhg s SER 289 Cb -0.01 -0.77 0.14 0.00 0.10 0.00 0.00 66.02 65.48 3dhg s SER 289 CO 0.03 -1.16 1.79 0.15 0.98 0.00 0.00 173.24 175.03 3dhg h PHE 290 N 0.08 1.07 -0.61 5.02 3.57 -1.87 -0.31 116.94 123.88 3dhg h PHE 290 Ca -0.41 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 60.97 3dhg h PHE 290 Cb 1.29 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3dhg h PHE 290 CO 0.34 0.78 0.10 -0.22 -2.23 0.00 0.00 178.31 177.08 3dhg h LYS 291 N 1.04 1.02 -0.50 1.11 3.64 -1.95 -0.27 116.57 120.66 3dhg h LYS 291 Ca 0.26 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3dhg h LYS 291 Cb 0.11 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3dhg h LYS 291 CO -0.03 0.95 0.32 0.93 -2.27 0.00 0.00 179.45 179.35 3dhg h GLU 292 N 0.93 0.63 -0.28 1.90 5.08 -1.85 0.61 114.58 121.59 3dhg h GLU 292 Ca 0.19 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3dhg h GLU 292 Cb 0.43 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3dhg h GLU 292 CO 0.01 0.42 -0.14 0.35 -1.00 0.00 0.00 179.01 178.65 3dhg h PHE 293 N 0.65 -0.35 -0.76 4.33 3.57 -0.57 0.36 116.94 124.18 3dhg h PHE 293 Ca 0.19 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3dhg h PHE 293 Cb -0.05 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3dhg h PHE 293 CO -0.05 -0.22 0.49 0.52 -2.23 0.00 0.00 178.31 176.83 3dhg h MET 294 N -0.11 0.95 -0.20 1.11 2.86 -0.38 0.61 114.93 119.76 3dhg h MET 294 Ca 0.15 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 3dhg h MET 294 Cb 0.33 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3dhg h MET 294 CO -0.35 0.63 -0.46 1.88 1.06 0.00 0.00 176.91 179.66 3dhg h TYR 295 N 0.98 0.63 0.16 -0.22 0.05 -0.24 0.16 116.97 118.48 3dhg h TYR 295 Ca 0.29 -0.20 -0.29 0.00 0.05 0.00 0.00 58.73 58.58 3dhg h TYR 295 Cb -0.04 -0.13 0.02 0.00 1.01 0.00 0.00 36.73 37.59 3dhg h TYR 295 CO -0.03 0.89 -1.29 1.49 -1.05 0.00 0.00 178.16 178.17 3dhg h GLU 296 N 0.42 0.43 0.00 4.88 4.81 0.06 -3.40 114.58 121.77 3dhg h GLU 296 Ca 0.03 -0.67 -0.03 0.00 -0.13 0.00 0.00 59.36 58.56 3dhg h GLU 296 Cb 0.97 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3dhg h GLU 296 CO 0.09 1.31 -1.27 0.91 -0.73 0.00 0.00 179.01 179.31 3dhg n TRP 297 N -3.65 0.00 -0.02 0.92 5.03 0.18 -4.92 117.44 114.97 3dhg n TRP 297 Ca -0.12 0.00 -0.06 0.00 3.03 0.00 0.00 57.50 60.35 3dhg n TRP 297 Cb 1.03 -0.16 -0.02 0.00 -1.03 0.00 0.00 31.31 31.13 3dhg n TRP 297 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 3dhg n ILE 298 N -1.83 0.57 0.21 -0.99 2.08 -0.74 -4.71 119.36 113.94 3dhg n ILE 298 Ca -0.03 -0.01 -0.12 0.00 0.56 0.00 0.00 62.75 63.15 3dhg n ILE 298 Cb 0.29 -1.63 -0.07 0.00 -0.75 0.00 0.00 39.64 37.48 3dhg n ILE 298 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3dhg h ILE 299 N -0.25 0.33 -0.65 1.39 2.04 -0.96 -2.39 117.51 117.03 3dhg h ILE 299 Ca -0.14 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.18 3dhg h ILE 299 Cb 0.97 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3dhg h ILE 299 CO -0.09 0.07 0.43 1.23 0.00 0.00 0.00 178.15 179.79 3dhg h GLY 300 N -1.02 0.83 0.89 5.37 0.00 -1.81 -0.67 103.07 106.65 3dhg h GLY 300 Ca -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3dhg h GLY 300 CO 0.10 0.21 0.08 1.46 0.00 0.00 0.00 176.54 178.39 3dhg h GLN 301 N 0.68 0.39 -0.05 4.80 7.50 -1.83 -0.56 115.11 126.04 3dhg h GLN 301 Ca 0.27 -0.08 0.01 0.00 0.50 0.00 0.00 58.65 59.35 3dhg h GLN 301 Cb 0.22 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 3dhg h GLN 301 CO -0.08 0.46 -0.03 0.74 -1.50 0.00 0.00 178.83 178.42 3dhg h PHE 302 N 0.24 -0.07 -0.40 2.96 0.04 -1.02 -0.98 116.94 117.72 3dhg h PHE 302 Ca 0.08 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.92 3dhg h PHE 302 Cb 0.24 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.37 3dhg h PHE 302 CO 0.00 -0.05 0.07 0.93 -0.60 0.00 0.00 178.31 178.67 3dhg h GLU 303 N -0.03 0.19 -0.28 1.51 5.08 -0.80 -0.99 114.58 119.26 3dhg h GLU 303 Ca 0.03 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3dhg h GLU 303 Cb 0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3dhg h GLU 303 CO -0.06 0.12 -0.28 0.00 -1.00 0.00 0.00 179.01 177.79 3dhg h ARG 304 N 0.19 0.68 -0.38 2.33 3.08 -0.97 -1.36 114.38 117.95 3dhg h ARG 304 Ca 0.19 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 3dhg h ARG 304 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3dhg h ARG 304 CO -0.27 0.97 -0.09 0.66 -1.07 0.00 0.00 179.97 180.17 3dhg h SER 305 N 0.41 0.64 -0.00 7.04 4.64 -1.03 0.29 113.55 125.55 3dhg h SER 305 Ca 0.04 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3dhg h SER 305 Cb 0.85 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3dhg h SER 305 CO 0.07 0.77 0.00 -0.07 -0.87 0.00 0.00 176.83 176.73 3dhg h LEU 306 N 0.61 0.00 -0.48 5.97 3.38 -1.05 -2.11 115.31 121.63 3dhg h LEU 306 Ca 0.11 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.91 3dhg h LEU 306 Cb 0.52 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 3dhg h LEU 306 CO 0.03 0.26 -0.03 0.40 0.09 0.00 0.00 178.44 179.19 3dhg h ILE 307 N -0.26 0.60 -0.64 1.22 2.04 -1.12 -0.12 117.51 119.24 3dhg h ILE 307 Ca 0.00 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.98 3dhg h ILE 307 Cb 0.26 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3dhg h ILE 307 CO 0.00 0.02 0.44 -0.78 0.00 0.00 0.00 178.15 177.82 3dhg h ASP 308 N 0.08 0.21 0.33 1.72 1.82 -0.20 -0.70 116.42 119.67 3dhg h ASP 308 Ca 0.24 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 3dhg h ASP 308 Cb 0.36 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.34 3dhg h ASP 308 CO -0.42 0.11 -0.19 0.18 -1.61 0.00 0.00 179.24 177.31 3dhg n LEU 309 N -4.43 0.71 -0.04 2.28 4.77 -0.64 -4.91 117.00 114.74 3dhg n LEU 309 Ca 0.12 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3dhg n LEU 309 Cb 0.55 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3dhg n LEU 309 CO 0.35 0.13 -0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3dhg n GLY 310 N 1.32 0.47 3.99 -0.72 0.00 -0.27 -4.86 105.19 105.12 3dhg n GLY 310 Ca 0.13 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3dhg n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhg s LEU 311 N -0.12 3.19 0.32 0.99 1.43 -0.15 -5.01 118.68 119.34 3dhg s LEU 311 Ca 0.00 -0.28 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 3dhg s LEU 311 Cb 0.00 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 3dhg s LEU 311 CO 0.00 -1.37 -0.01 -1.81 0.23 0.00 0.00 176.35 173.40 3dhg s ASP 312 N -4.55 4.21 0.41 2.29 1.01 -1.26 -3.76 116.67 115.01 3dhg s ASP 312 Ca 0.61 -0.93 -0.27 0.00 0.71 0.00 0.00 52.55 52.67 3dhg s ASP 312 Cb -0.08 -0.57 -0.10 0.00 1.01 0.00 0.00 42.92 43.18 3dhg s ASP 312 CO 0.40 -0.17 1.45 0.29 0.21 0.00 0.00 175.17 177.35 3dhg n LYS 313 N -0.92 2.45 -1.63 8.23 5.02 -1.26 -4.93 118.16 125.11 3dhg n LYS 313 Ca -0.05 0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 56.73 3dhg n LYS 313 Cb 0.61 -2.63 0.05 0.00 -0.02 0.00 0.00 35.03 33.04 3dhg n LYS 313 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3dhg n PRO 314 N 0.15 1.04 -0.21 1.97 -0.02 -1.26 -4.86 135.00 131.82 3dhg n PRO 314 Ca 0.03 0.40 0.30 0.00 -2.02 0.00 0.00 63.50 62.21 3dhg n PRO 314 Cb 0.40 -2.21 0.73 0.00 -0.02 0.00 0.00 33.50 32.40 3dhg n PRO 314 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3dhg h TRP 315 N 0.71 0.01 -0.35 6.00 5.08 -1.98 -0.98 115.95 124.43 3dhg h TRP 315 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3dhg h TRP 315 Cb 1.35 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.51 3dhg h TRP 315 CO 0.39 0.00 0.00 2.48 -1.28 0.00 0.00 178.44 180.03 3dhg n TYR 316 N -4.25 0.74 -0.25 0.12 0.18 -1.26 -4.63 117.16 107.81 3dhg n TYR 316 Ca 0.20 -0.31 0.02 0.00 1.88 0.00 0.00 57.90 59.69 3dhg n TYR 316 Cb 1.02 -0.12 0.15 0.00 -0.38 0.00 0.00 39.34 40.00 3dhg n TYR 316 CO 0.00 0.00 0.00 2.35 -2.08 0.00 0.00 176.86 177.13 3dhg h TRP 317 N 2.20 0.62 -0.79 -3.48 -0.00 -1.52 0.38 115.95 113.36 3dhg h TRP 317 Ca 0.00 0.03 0.08 0.00 -0.00 0.00 0.00 58.89 59.00 3dhg h TRP 317 Cb 0.81 -0.17 -0.07 0.00 -0.00 0.00 0.00 29.16 29.74 3dhg h TRP 317 CO 0.38 0.21 0.46 -0.44 -0.00 0.00 0.00 178.44 179.04 3dhg h ASP 318 N 0.58 0.68 -0.69 2.65 3.32 -1.86 -1.65 116.42 119.46 3dhg h ASP 318 Ca 0.36 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 3dhg h ASP 318 Cb 0.41 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3dhg h ASP 318 CO -0.29 0.41 0.36 -0.07 -1.72 0.00 0.00 179.24 177.93 3dhg h LEU 319 N 0.80 0.88 0.01 1.55 3.38 -1.30 -1.68 115.31 118.95 3dhg h LEU 319 Ca 0.37 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3dhg h LEU 319 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3dhg h LEU 319 CO -0.21 0.74 -0.05 0.15 0.09 0.00 0.00 178.44 179.16 3dhg h PHE 320 N 0.95 -0.11 -0.84 1.13 3.57 -0.74 0.73 116.94 121.62 3dhg h PHE 320 Ca 0.24 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3dhg h PHE 320 Cb 0.08 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3dhg h PHE 320 CO 0.00 -0.07 0.51 -0.07 -2.23 0.00 0.00 178.31 176.45 3dhg h LEU 321 N -0.09 1.01 -0.26 0.59 3.38 -1.22 -1.54 115.31 117.19 3dhg h LEU 321 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3dhg h LEU 321 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3dhg h LEU 321 CO -0.04 0.77 0.10 0.50 0.09 0.00 0.00 178.44 179.86 3dhg h LYS 322 N 1.16 0.39 -0.59 1.13 3.64 -0.88 -2.76 116.57 118.66 3dhg h LYS 322 Ca 0.30 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.72 3dhg h LYS 322 Cb -0.05 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3dhg h LYS 322 CO -0.06 0.44 0.40 -0.44 -2.27 0.00 0.00 179.45 177.52 3dhg h ASP 323 N 0.26 0.28 -0.33 4.20 3.45 0.07 -2.22 116.42 122.12 3dhg h ASP 323 Ca 0.09 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 3dhg h ASP 323 Cb 0.20 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 3dhg h ASP 323 CO -0.01 0.16 0.14 0.40 -1.57 0.00 0.00 179.24 178.36 3dhg h ILE 324 N 0.31 1.16 0.00 0.35 2.04 -1.01 0.14 117.51 120.49 3dhg h ILE 324 Ca 0.28 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3dhg h ILE 324 Cb 0.68 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3dhg h ILE 324 CO -0.07 0.20 -0.16 0.44 0.00 0.00 0.00 178.15 178.56 3dhg h ASP 325 N 0.56 0.00 0.00 1.72 3.32 -1.47 -3.42 116.42 117.13 3dhg h ASP 325 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3dhg h ASP 325 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3dhg h ASP 325 CO -0.01 0.16 -0.60 -0.62 -1.72 0.00 0.00 179.24 176.44 3dhg n GLU 326 N -3.42 0.00 0.14 3.56 1.02 -0.53 -4.89 120.64 116.52 3dhg n GLU 326 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3dhg n GLU 326 Cb 0.34 -0.47 -0.08 0.00 -0.02 0.00 0.00 31.44 31.21 3dhg n GLU 326 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dhg h LEU 327 N 0.00 -0.26 -1.61 -4.62 5.85 -1.03 -2.50 115.31 111.14 3dhg h LEU 327 Ca 0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3dhg h LEU 327 Cb 0.60 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3dhg h LEU 327 CO 0.00 -0.18 -0.21 1.12 -0.34 0.00 0.00 178.44 178.83 3dhg h HIS 328 N -0.30 0.00 -0.65 1.25 2.07 -1.81 0.23 115.15 115.95 3dhg h HIS 328 Ca -0.03 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.44 3dhg h HIS 328 Cb 0.23 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.18 3dhg h HIS 328 CO -0.07 0.21 0.20 0.45 -3.07 0.00 0.00 177.93 175.65 3dhg h HIS 329 N 0.00 1.02 0.04 6.12 3.86 -1.79 0.66 115.15 125.06 3dhg h HIS 329 Ca -0.00 -0.09 -0.22 0.00 -1.16 0.00 0.00 60.37 58.89 3dhg h HIS 329 Cb 0.45 -0.30 0.02 0.00 1.06 0.00 0.00 27.41 28.64 3dhg h HIS 329 CO 0.00 0.82 -0.89 0.77 0.86 0.00 0.00 177.93 179.48 3dhg h SER 330 N 0.96 0.72 -0.64 2.45 0.02 -1.16 -2.76 113.55 113.13 3dhg h SER 330 Ca 0.21 -0.79 0.07 0.00 -0.84 0.00 0.00 61.79 60.45 3dhg h SER 330 Cb 0.28 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 3dhg h SER 330 CO -0.01 1.42 0.32 1.88 -1.14 0.00 0.00 176.83 179.30 3dhg h TYR 331 N 0.10 0.58 -0.64 3.45 0.05 -0.87 -0.43 116.97 119.21 3dhg h TYR 331 Ca -0.12 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.76 3dhg h TYR 331 Cb 1.59 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 39.10 3dhg h TYR 331 CO 0.13 0.24 0.32 1.25 -1.05 0.00 0.00 178.16 179.05 3dhg h HIS 332 N 0.58 0.57 -0.63 4.88 -0.00 -0.90 0.80 115.15 120.45 3dhg h HIS 332 Ca 0.30 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.62 3dhg h HIS 332 Cb 0.26 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 3dhg h HIS 332 CO -0.11 0.23 0.10 1.98 -0.00 0.00 0.00 177.93 180.13 3dhg h MET 333 N 0.57 1.04 0.12 5.26 1.85 -1.06 0.69 114.93 123.39 3dhg h MET 333 Ca 0.30 -0.27 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 3dhg h MET 333 Cb 0.27 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.17 3dhg h MET 333 CO -0.23 0.96 -0.06 0.78 -0.40 0.00 0.00 176.91 177.96 3dhg h GLY 334 N 1.04 -0.16 0.79 1.39 0.00 -0.45 -1.03 103.07 104.65 3dhg h GLY 334 Ca 0.19 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.63 3dhg h GLY 334 CO 0.01 -0.06 0.40 -2.08 0.00 0.00 0.00 176.54 174.82 3dhg h VAL 335 N -0.27 1.04 -0.14 4.60 2.07 -0.74 -2.25 116.25 120.55 3dhg h VAL 335 Ca -0.02 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3dhg h VAL 335 Cb 0.22 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3dhg h VAL 335 CO 0.03 0.14 -0.26 -0.25 0.02 0.00 0.00 177.57 177.25 3dhg h TRP 336 N 0.77 0.53 -0.44 1.57 7.01 -0.75 -2.20 115.95 122.44 3dhg h TRP 336 Ca 0.29 -0.19 -0.09 0.00 2.11 0.00 0.00 58.89 61.01 3dhg h TRP 336 Cb 0.09 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 3dhg h TRP 336 CO -0.06 0.88 -0.07 -0.92 -2.79 0.00 0.00 178.44 175.48 3dhg h TYR 337 N 0.03 0.84 -0.79 2.65 3.20 -1.19 -2.08 116.97 119.62 3dhg h TYR 337 Ca 0.01 -0.14 -0.51 0.00 3.14 0.00 0.00 58.73 61.23 3dhg h TYR 337 Cb 0.84 -0.22 -0.23 0.00 1.54 0.00 0.00 36.73 38.66 3dhg h TYR 337 CO 0.10 0.81 0.65 0.91 -1.64 0.00 0.00 178.16 178.99 3dhg n TRP 338 N -4.18 2.54 0.25 -3.82 8.01 -0.85 -4.26 117.44 115.13 3dhg n TRP 338 Ca 0.02 -2.33 0.08 0.00 -1.31 0.00 0.00 57.50 53.95 3dhg n TRP 338 Cb 0.34 -1.14 0.61 0.00 -2.01 0.00 0.00 31.31 29.11 3dhg n TRP 338 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3dhg h ARG 339 N 1.52 0.00 0.00 -0.99 0.11 -0.70 -0.84 114.38 113.48 3dhg h ARG 339 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 3dhg h ARG 339 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3dhg h ARG 339 CO 1.16 0.07 0.00 0.00 0.10 0.00 0.00 179.97 181.31 3dhg h THR 340 N 0.00 0.00 -0.00 0.08 1.03 -1.82 -0.72 112.91 111.47 3dhg h THR 340 Ca -0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 3dhg h THR 340 Cb 0.13 0.97 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 3dhg h THR 340 CO 0.01 0.00 -0.41 0.35 -0.01 0.00 0.00 175.52 175.46 3dhg n THR 341 N -2.92 0.00 -3.27 0.00 -2.24 -0.32 -3.66 114.28 101.88 3dhg n THR 341 Ca -0.02 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 3dhg n THR 341 Cb 0.10 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 3dhg n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhg s ALA 342 N -2.91 3.47 -2.08 6.98 0.00 -0.32 -4.66 121.76 122.24 3dhg s ALA 342 Ca 0.14 -0.19 0.13 0.00 0.00 0.00 0.00 51.96 52.04 3dhg s ALA 342 Cb 0.18 -2.56 0.52 0.00 0.00 0.00 0.00 23.12 21.26 3dhg s ALA 342 CO 0.65 0.38 1.37 -2.67 0.00 0.00 0.00 175.76 175.49 3dhg n TRP 343 N -0.39 0.22 -4.36 0.00 2.14 -1.26 -0.71 117.44 113.08 3dhg n TRP 343 Ca 0.01 -0.11 -0.18 0.00 2.07 0.00 0.00 57.50 59.30 3dhg n TRP 343 Cb 0.53 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.93 3dhg n TRP 343 CO 0.00 0.00 0.00 1.67 2.07 0.00 0.00 177.69 181.43 3dhg s TRP 344 N -1.78 1.67 -0.54 -2.67 -2.14 -1.26 -4.77 118.94 107.44 3dhg s TRP 344 Ca 0.22 -1.05 -0.16 0.00 2.66 0.00 0.00 56.10 57.77 3dhg s TRP 344 Cb 0.11 -1.02 0.13 0.00 -3.10 0.00 0.00 33.47 29.60 3dhg s TRP 344 CO 0.17 -0.16 0.50 -0.80 -2.66 0.00 0.00 176.95 173.99 3dhg s ASN 345 N -3.36 6.18 0.34 -2.66 0.01 -1.26 -4.11 114.94 110.07 3dhg s ASN 345 Ca 0.35 -1.81 -0.29 0.00 -0.71 0.00 0.00 52.86 50.40 3dhg s ASN 345 Cb 0.08 -2.20 -0.10 0.00 0.41 0.00 0.00 41.25 39.43 3dhg s ASN 345 CO 0.13 -0.85 1.36 -2.84 -1.51 0.00 0.00 177.10 173.39 3dhg s PRO 346 N 1.57 4.30 -0.13 -0.60 0.02 -1.14 -4.05 135.00 134.96 3dhg s PRO 346 Ca 0.03 2.30 -0.22 0.00 0.02 0.00 0.00 61.00 63.13 3dhg s PRO 346 Cb -0.30 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 3dhg s PRO 346 CO 0.03 -0.28 0.68 0.00 -0.33 0.00 0.00 177.00 177.09 3dhg s ALA 347 N -1.05 3.45 0.10 -1.55 0.00 -1.26 -0.89 121.76 120.54 3dhg s ALA 347 Ca 0.50 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 3dhg s ALA 347 Cb -0.41 -2.97 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 3dhg s ALA 347 CO 0.54 -0.33 1.70 0.00 0.00 0.00 0.00 175.76 177.67 3dhg h ALA 348 N 7.08 0.19 -0.99 0.00 0.00 -1.95 -3.43 119.26 120.16 3dhg h ALA 348 Ca -0.36 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3dhg h ALA 348 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dhg h ALA 348 CO 0.77 -0.27 -0.13 0.41 0.00 0.00 0.00 179.25 180.03 3dhg n GLY 349 N -0.92 0.26 2.18 0.00 0.00 -1.26 -4.95 105.19 100.50 3dhg n GLY 349 Ca -0.04 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 3dhg n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dhg n VAL 350 N -3.82 2.17 -1.18 1.61 0.24 -1.26 -4.56 118.33 111.54 3dhg n VAL 350 Ca -0.05 -3.83 -0.32 0.00 -2.04 0.00 0.00 64.34 58.10 3dhg n VAL 350 Cb 0.54 -0.47 0.11 0.00 -1.47 0.00 0.00 33.84 32.55 3dhg n VAL 350 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3dhg s THR 351 N -4.31 2.53 0.26 3.34 -4.23 -1.26 -4.76 115.64 107.21 3dhg s THR 351 Ca 0.44 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 3dhg s THR 351 Cb 0.39 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 71.89 3dhg s THR 351 CO 0.01 -0.19 1.79 -0.65 -0.54 0.00 0.00 174.62 175.05 3dhg h PRO 352 N -0.97 0.72 -0.74 3.99 0.11 -1.91 0.23 132.00 133.43 3dhg h PRO 352 Ca -0.45 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.67 3dhg h PRO 352 Cb 1.27 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3dhg h PRO 352 CO 0.48 0.48 0.44 0.93 -0.21 0.00 0.00 178.00 180.12 3dhg h GLU 353 N 0.75 0.79 -0.39 1.05 3.07 -1.92 -0.51 114.58 117.42 3dhg h GLU 353 Ca 0.44 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.11 3dhg h GLU 353 Cb 0.51 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3dhg h GLU 353 CO -0.30 0.52 -0.29 0.93 -1.40 0.00 0.00 179.01 178.47 3dhg h GLU 354 N 0.82 0.89 -0.83 2.33 5.08 -1.40 -2.96 114.58 118.51 3dhg h GLU 354 Ca 0.32 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3dhg h GLU 354 Cb 0.15 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3dhg h GLU 354 CO -0.16 1.08 0.55 0.00 -1.00 0.00 0.00 179.01 179.47 3dhg h ARG 355 N 0.70 1.04 -0.53 2.33 3.08 0.08 -0.88 114.38 120.20 3dhg h ARG 355 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3dhg h ARG 355 Cb 0.88 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3dhg h ARG 355 CO 0.08 0.69 0.35 -0.44 -1.07 0.00 0.00 179.97 179.58 3dhg h ASP 356 N 1.07 0.61 -0.34 7.04 3.32 -1.07 0.04 116.42 127.09 3dhg h ASP 356 Ca 0.32 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.37 3dhg h ASP 356 Cb -0.05 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3dhg h ASP 356 CO -0.08 0.45 0.17 -0.25 -1.72 0.00 0.00 179.24 177.81 3dhg h TRP 357 N 0.72 0.32 -0.87 4.55 7.01 -1.27 -1.55 115.95 124.86 3dhg h TRP 357 Ca 0.19 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 3dhg h TRP 357 Cb -0.08 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 3dhg h TRP 357 CO -0.04 0.17 0.50 -0.07 -2.79 0.00 0.00 178.44 176.22 3dhg h LEU 358 N 0.36 1.07 -0.60 0.65 3.38 -0.98 -0.72 115.31 118.47 3dhg h LEU 358 Ca 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dhg h LEU 358 Cb 0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3dhg h LEU 358 CO -0.09 0.84 0.36 -0.08 0.09 0.00 0.00 178.44 179.56 3dhg h GLU 359 N 1.21 0.81 -0.01 1.13 4.57 -0.66 0.36 114.58 121.99 3dhg h GLU 359 Ca 0.31 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 58.25 3dhg h GLU 359 Cb -0.01 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3dhg h GLU 359 CO -0.05 0.59 -0.76 1.05 -1.18 0.00 0.00 179.01 178.66 3dhg h GLU 360 N 0.81 0.09 0.03 1.92 4.11 -1.00 -2.10 114.58 118.43 3dhg h GLU 360 Ca 0.21 -0.08 -0.22 0.00 0.07 0.00 0.00 59.36 59.34 3dhg h GLU 360 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3dhg h GLU 360 CO -0.04 0.80 -0.99 0.87 0.07 0.00 0.00 179.01 179.72 3dhg h LYS 361 N 0.05 0.20 -2.52 1.06 1.79 -1.02 -3.41 116.57 112.72 3dhg h LYS 361 Ca -0.02 -0.26 -0.59 0.00 -2.18 0.00 0.00 60.65 57.60 3dhg h LYS 361 Cb 1.33 0.08 -0.39 0.00 -1.58 0.00 0.00 32.23 31.68 3dhg h LYS 361 CO 0.11 1.03 -0.89 0.71 -1.08 0.00 0.00 179.45 179.33 3dhg s TYR 362 N -3.00 1.30 0.03 -1.35 2.02 0.13 -5.04 117.35 111.43 3dhg s TYR 362 Ca -0.03 -2.27 -0.35 0.00 -0.37 0.00 0.00 57.07 54.05 3dhg s TYR 362 Cb 0.09 -1.15 -0.14 0.00 -0.40 0.00 0.00 41.96 40.36 3dhg s TYR 362 CO 0.84 -0.80 1.62 -2.30 -1.57 0.00 0.00 175.55 173.34 3dhg n PRO 363 N 3.08 1.80 -0.05 -1.71 -0.02 -0.79 -1.06 135.00 136.25 3dhg n PRO 363 Ca 0.23 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3dhg n PRO 363 Cb 0.43 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3dhg n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhg n GLY 364 N 3.56 0.64 0.13 -1.23 0.00 -1.26 -4.99 105.19 102.03 3dhg n GLY 364 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 3dhg n GLY 364 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3dhg h TRP 365 N 0.00 0.18 0.00 1.61 7.01 -1.38 -2.24 115.95 121.13 3dhg h TRP 365 Ca 0.00 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3dhg h TRP 365 Cb 0.00 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.01 3dhg h TRP 365 CO 0.00 0.09 -0.12 -0.91 -2.79 0.00 0.00 178.44 174.71 3dhg h ASN 366 N 0.22 0.00 0.75 2.65 2.35 -1.90 -1.65 115.58 118.01 3dhg h ASN 366 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3dhg h ASN 366 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3dhg h ASN 366 CO -0.11 0.12 -0.21 2.29 -1.65 0.00 0.00 177.43 177.87 3dhg n LYS 367 N -4.18 0.05 0.00 0.81 2.85 -0.88 -2.79 118.16 114.02 3dhg n LYS 367 Ca -0.03 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 3dhg n LYS 367 Cb 0.19 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 3dhg n LYS 367 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3dhg n ARG 368 N -1.46 0.00 0.14 -1.58 1.74 -0.75 -1.05 116.66 113.70 3dhg n ARG 368 Ca 0.07 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.19 3dhg n ARG 368 Cb 0.33 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 32.22 3dhg n ARG 368 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dhg h TRP 369 N 0.00 0.22 -0.66 -1.55 6.55 -1.63 -2.12 115.95 116.76 3dhg h TRP 369 Ca 0.00 -0.01 0.10 0.00 0.95 0.00 0.00 58.89 59.92 3dhg h TRP 369 Cb 0.00 -0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 28.19 3dhg h TRP 369 CO 0.00 0.28 0.44 0.78 -1.05 0.00 0.00 178.44 178.89 3dhg h GLY 370 N 0.57 0.73 0.82 1.49 0.00 -1.34 -1.50 103.07 103.83 3dhg h GLY 370 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3dhg h GLY 370 CO 0.01 0.13 0.30 3.21 0.00 0.00 0.00 176.54 180.18 3dhg h ARG 371 N 0.51 0.57 -0.16 4.80 2.47 -1.20 0.44 114.38 121.80 3dhg h ARG 371 Ca 0.31 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.96 3dhg h ARG 371 Cb 0.51 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3dhg h ARG 371 CO -0.10 0.37 -0.03 0.00 0.56 0.00 0.00 179.97 180.78 3dhg h TRP 373 N 0.02 0.00 0.33 0.00 4.06 -0.96 -1.97 115.95 117.43 3dhg h TRP 373 Ca 0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 3dhg h TRP 373 Cb 0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 3dhg h TRP 373 CO 0.05 0.15 -0.24 -0.44 -3.56 0.00 0.00 178.44 174.40 3dhg h ASP 374 N 0.00 -0.62 -0.18 -3.49 3.32 0.06 -0.52 116.42 114.99 3dhg h ASP 374 Ca -0.00 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3dhg h ASP 374 Cb 0.37 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3dhg h ASP 374 CO 0.02 -0.37 0.05 0.58 -1.72 0.00 0.00 179.24 177.80 3dhg h VAL 375 N -0.57 0.94 -0.05 -1.35 2.07 -1.32 -1.90 116.25 114.08 3dhg h VAL 375 Ca -0.03 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3dhg h VAL 375 Cb 0.49 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3dhg h VAL 375 CO 0.00 0.02 -0.20 0.40 0.02 0.00 0.00 177.57 177.81 3dhg h ILE 376 N 0.14 0.51 -0.59 4.57 2.04 -1.36 -1.68 117.51 121.14 3dhg h ILE 376 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3dhg h ILE 376 Cb 0.06 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 3dhg h ILE 376 CO -0.09 0.00 0.30 0.74 0.00 0.00 0.00 178.15 179.09 3dhg h THR 377 N -0.30 0.93 -0.76 -0.27 2.02 -0.90 -1.82 112.91 111.81 3dhg h THR 377 Ca 0.07 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.10 3dhg h THR 377 Cb 0.40 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 3dhg h THR 377 CO -0.22 0.10 0.48 -0.33 0.37 0.00 0.00 175.52 175.92 3dhg h GLU 378 N 0.55 0.90 -0.46 6.66 5.08 -1.16 -1.27 114.58 124.88 3dhg h GLU 378 Ca 0.27 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dhg h GLU 378 Cb 0.20 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3dhg h GLU 378 CO -0.19 0.60 0.27 -0.91 -1.00 0.00 0.00 179.01 177.78 3dhg h ASN 379 N 0.93 0.56 -0.31 1.42 -0.26 -0.70 -2.38 115.58 114.83 3dhg h ASN 379 Ca 0.31 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3dhg h ASN 379 Cb 0.03 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 3dhg h ASN 379 CO -0.12 0.46 0.20 0.58 -1.06 0.00 0.00 177.43 177.50 3dhg h VAL 380 N 0.62 1.09 0.00 2.81 2.07 -0.97 0.55 116.25 122.41 3dhg h VAL 380 Ca 0.17 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3dhg h VAL 380 Cb 0.01 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3dhg h VAL 380 CO -0.03 0.09 -0.12 -0.07 0.02 0.00 0.00 177.57 177.46 3dhg h LEU 381 N 0.42 0.00 -3.52 2.57 3.38 -1.09 -1.75 115.31 115.31 3dhg h LEU 381 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3dhg h LEU 381 Cb -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 3dhg h LEU 381 CO -0.02 0.12 0.12 0.59 0.09 0.00 0.00 178.44 179.33 3dhg n ASN 382 N -3.95 4.24 -4.37 -0.43 3.02 -0.91 -4.96 115.26 107.90 3dhg n ASN 382 Ca -0.02 -3.24 -0.36 0.00 -0.03 0.00 0.00 54.58 50.93 3dhg n ASN 382 Cb 0.21 -0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 38.63 3dhg n ASN 382 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dhg n ASP 383 N -0.37 -0.62 -4.09 6.41 2.03 -0.66 -4.87 116.55 114.38 3dhg n ASP 383 Ca 0.33 -1.22 -0.42 0.00 0.52 0.00 0.00 54.79 53.99 3dhg n ASP 383 Cb 1.18 -1.81 -0.00 0.00 -0.72 0.00 0.00 41.12 39.76 3dhg n ASP 383 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dhg n ARG 384 N -4.35 3.98 0.15 -0.67 1.74 0.14 -4.84 116.66 112.81 3dhg n ARG 384 Ca -0.11 -4.53 0.01 0.00 -0.77 0.00 0.00 57.85 52.45 3dhg n ARG 384 Cb 0.58 -2.50 0.20 0.00 -1.02 0.00 0.00 32.46 29.72 3dhg n ARG 384 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3dhg h MET 385 N 5.78 0.00 -0.83 5.56 2.86 -1.90 -2.82 114.93 123.58 3dhg h MET 385 Ca 0.19 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.03 3dhg h MET 385 Cb 0.71 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 3dhg h MET 385 CO 1.18 0.54 0.57 0.38 1.06 0.00 0.00 176.91 180.64 3dhg h ASP 386 N 0.00 0.27 0.16 1.22 -0.00 -1.93 -1.12 116.42 115.02 3dhg h ASP 386 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 3dhg h ASP 386 Cb 1.10 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.40 3dhg h ASP 386 CO 0.07 0.12 -0.07 0.18 -0.00 0.00 0.00 179.24 179.54 3dhg n LEU 387 N -4.44 0.75 -0.81 0.15 4.77 -1.06 -3.31 117.00 113.05 3dhg n LEU 387 Ca 0.17 -0.18 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 3dhg n LEU 387 Cb 0.71 -0.08 0.16 0.00 -2.33 0.00 0.00 43.42 41.89 3dhg n LEU 387 CO 0.33 0.13 0.62 0.52 -1.33 0.00 0.00 177.39 177.67 3dhg n VAL 388 N -0.59 0.67 -4.84 4.08 0.31 -0.43 -4.93 118.33 112.61 3dhg n VAL 388 Ca 0.17 -0.83 -0.25 0.00 -0.01 0.00 0.00 64.34 63.42 3dhg n VAL 388 Cb 0.27 0.77 -0.15 0.00 -0.91 0.00 0.00 33.84 33.83 3dhg n VAL 388 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3dhg s SER 389 N -1.10 2.06 0.58 4.52 0.01 -1.20 -4.92 113.70 113.64 3dhg s SER 389 Ca 0.28 -0.32 -0.15 0.00 1.31 0.00 0.00 55.95 57.07 3dhg s SER 389 Cb 0.16 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 3dhg s SER 389 CO 0.21 0.21 1.03 -2.16 0.41 0.00 0.00 173.24 172.95 3dhg s PRO 390 N -0.42 3.52 -0.03 12.44 0.04 -1.26 -4.97 135.00 144.32 3dhg s PRO 390 Ca 0.07 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.19 3dhg s PRO 390 Cb -0.07 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.47 3dhg s PRO 390 CO -0.01 -0.64 0.89 0.39 0.04 0.00 0.00 177.00 177.67 3dhg n GLU 391 N -2.08 1.23 -4.21 4.56 1.02 -1.26 -5.04 120.64 114.85 3dhg n GLU 391 Ca 0.08 -1.34 -0.17 0.00 -0.02 0.00 0.00 57.16 55.70 3dhg n GLU 391 Cb 0.53 -0.87 -0.07 0.00 -0.02 0.00 0.00 31.44 31.01 3dhg n GLU 391 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3dhg s THR 392 N -0.92 0.00 0.01 2.62 -1.32 -1.26 -4.94 115.64 109.83 3dhg s THR 392 Ca 0.07 -1.88 -0.02 0.00 -1.21 0.00 0.00 61.69 58.65 3dhg s THR 392 Cb 0.06 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 3dhg s THR 392 CO 0.01 0.00 0.18 -0.76 -2.21 0.00 0.00 174.62 171.83 3dhg s LEU 393 N -3.30 4.32 0.61 9.08 1.43 -1.26 -5.06 118.68 124.51 3dhg s LEU 393 Ca 0.37 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 3dhg s LEU 393 Cb 0.02 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 3dhg s LEU 393 CO 0.23 0.24 1.13 -2.16 0.23 0.00 0.00 176.35 176.02 3dhg s PRO 394 N -2.06 3.00 0.29 1.29 0.04 -1.26 -5.02 135.00 131.27 3dhg s PRO 394 Ca 0.29 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 3dhg s PRO 394 Cb -0.13 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 3dhg s PRO 394 CO 0.21 -1.11 1.10 -1.12 0.04 0.00 0.00 177.00 176.11 3dhg s SER 395 N -2.19 7.23 -0.03 6.66 0.01 -1.26 -4.91 113.70 119.22 3dhg s SER 395 Ca 0.70 2.26 0.07 0.00 1.31 0.00 0.00 55.95 60.29 3dhg s SER 395 Cb -0.23 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.36 3dhg s SER 395 CO 0.35 -0.16 -0.24 -0.69 0.41 0.00 0.00 173.24 172.91 3dhg s VAL 396 N -1.19 2.26 0.24 3.43 1.01 -1.26 -0.73 120.40 124.15 3dhg s VAL 396 Ca 0.45 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 3dhg s VAL 396 Cb -0.31 -1.80 -0.11 0.00 0.00 0.00 0.00 36.38 34.15 3dhg s VAL 396 CO 0.40 0.58 1.57 0.00 0.00 0.00 0.00 175.10 177.66 3dhg n ASN 398 N 2.94 0.00 -0.02 0.00 3.02 0.19 -1.79 115.26 119.59 3dhg n ASN 398 Ca 0.10 -0.52 -0.03 0.00 -0.03 0.00 0.00 54.58 54.10 3dhg n ASN 398 Cb 0.38 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 3dhg n ASN 398 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3dhg n MET 399 N -1.10 0.20 0.23 3.52 1.56 -1.26 -4.79 117.12 115.48 3dhg n MET 399 Ca 0.16 0.08 0.13 0.00 -0.27 0.00 0.00 57.70 57.79 3dhg n MET 399 Cb 0.12 -0.77 0.39 0.00 2.15 0.00 0.00 33.22 35.11 3dhg n MET 399 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3dhg h SER 400 N -0.37 0.00 -0.32 6.12 4.64 -1.96 -3.47 113.55 118.19 3dhg h SER 400 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3dhg h SER 400 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 3dhg h SER 400 CO 0.00 0.09 -0.13 0.00 -0.87 0.00 0.00 176.83 175.92 3dhg n GLN 401 N -3.16 -0.67 -4.33 4.77 1.13 -0.74 -4.56 117.38 109.82 3dhg n GLN 401 Ca 0.02 0.67 -0.31 0.00 -1.94 0.00 0.00 57.00 55.45 3dhg n GLN 401 Cb 0.45 -4.49 -0.10 0.00 0.11 0.00 0.00 30.24 26.21 3dhg n GLN 401 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dhg s ILE 402 N -2.16 3.50 0.53 5.09 1.01 -1.26 -4.58 121.20 123.33 3dhg s ILE 402 Ca 0.00 -1.05 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 3dhg s ILE 402 Cb 0.00 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 3dhg s ILE 402 CO 0.00 0.23 0.58 -2.65 0.00 0.00 0.00 174.94 173.10 3dhg n PRO 403 N 1.06 0.60 -2.79 2.79 -0.02 -1.26 -1.29 135.00 134.09 3dhg n PRO 403 Ca -0.14 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3dhg n PRO 403 Cb 0.52 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 3dhg n PRO 403 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dhg s LEU 404 N 0.71 3.97 0.37 2.45 1.43 0.09 -4.73 118.68 122.97 3dhg s LEU 404 Ca 0.68 0.51 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 3dhg s LEU 404 Cb -0.48 -3.28 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 3dhg s LEU 404 CO 0.55 -0.92 -0.01 0.68 0.23 0.00 0.00 176.35 176.88 3dhg s VAL 405 N 3.60 1.90 0.00 -1.59 -7.23 -1.26 -4.86 120.40 110.96 3dhg s VAL 405 Ca 0.39 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3dhg s VAL 405 Cb -0.11 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3dhg s VAL 405 CO 0.21 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3dhg n GLY 406 N -0.86 3.68 3.66 2.32 0.00 -1.26 -4.58 105.19 108.15 3dhg n GLY 406 Ca -0.05 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 3dhg n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhg s VAL 407 N -2.36 5.25 0.23 1.61 1.01 0.26 -4.80 120.40 121.60 3dhg s VAL 407 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3dhg s VAL 407 Cb 0.00 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.00 3dhg s VAL 407 CO 0.00 0.38 0.32 -0.81 0.00 0.00 0.00 175.10 174.99 3dhg n PRO 408 N 4.09 0.48 0.00 2.72 -0.04 -1.26 -1.39 135.00 139.60 3dhg n PRO 408 Ca -0.15 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 3dhg n PRO 408 Cb 0.52 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 3dhg n PRO 408 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dhg n GLY 409 N 2.48 1.35 0.28 0.55 0.00 -1.25 -3.93 105.19 104.68 3dhg n GLY 409 Ca 0.06 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 3dhg n GLY 409 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dhg h ASP 410 N 9.33 0.76 -0.88 1.61 5.19 -1.37 -2.65 116.42 128.40 3dhg h ASP 410 Ca 0.00 -0.20 -0.55 0.00 -0.62 0.00 0.00 57.03 55.66 3dhg h ASP 410 Cb 0.00 -0.20 -0.26 0.00 0.18 0.00 0.00 39.33 39.04 3dhg h ASP 410 CO 0.00 0.85 0.71 0.47 -3.12 0.00 0.00 179.24 178.15 3dhg n ASP 411 N -4.20 6.04 -4.41 6.45 8.00 -1.25 -4.99 116.55 122.19 3dhg n ASP 411 Ca 0.02 -3.55 -0.53 0.00 0.71 0.00 0.00 54.79 51.44 3dhg n ASP 411 Cb 0.32 -0.92 -0.08 0.00 -0.02 0.00 0.00 41.12 40.42 3dhg n ASP 411 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3dhg n TRP 412 N -0.76 1.51 -3.68 1.24 -0.00 -1.00 -4.79 117.44 109.96 3dhg n TRP 412 Ca 0.55 0.40 -0.18 0.00 -0.00 0.00 0.00 57.50 58.26 3dhg n TRP 412 Cb 0.98 -2.47 -0.17 0.00 -0.00 0.00 0.00 31.31 29.64 3dhg n TRP 412 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3dhg s ASN 413 N 6.91 0.84 -0.03 5.87 2.47 -0.48 -5.00 114.94 125.52 3dhg s ASN 413 Ca 1.12 0.16 0.00 0.00 0.42 0.00 0.00 52.86 54.56 3dhg s ASN 413 Cb -1.01 -0.00 0.03 0.00 -1.45 0.00 0.00 41.25 38.82 3dhg s ASN 413 CO 0.53 -0.23 0.01 -0.51 -3.72 0.00 0.00 177.10 173.18 3dhg s ILE 414 N 2.02 0.10 -0.04 -5.21 2.07 -1.26 -0.57 121.20 118.32 3dhg s ILE 414 Ca 0.02 0.12 0.02 0.00 -1.41 0.00 0.00 60.65 59.40 3dhg s ILE 414 Cb -0.12 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.27 3dhg s ILE 414 CO -0.04 0.13 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.34 3dhg s GLU 415 N 1.01 1.03 -0.11 3.50 2.12 -1.26 -5.05 118.70 119.93 3dhg s GLU 415 Ca -0.10 -0.25 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 3dhg s GLU 415 Cb -0.13 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.29 3dhg s GLU 415 CO -0.02 0.03 -0.07 0.08 -0.54 0.00 0.00 175.26 174.74 3dhg s VAL 416 N 0.50 3.65 -0.43 3.70 1.01 -1.26 -4.68 120.40 122.89 3dhg s VAL 416 Ca -0.08 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 3dhg s VAL 416 Cb -0.12 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.81 3dhg s VAL 416 CO 0.01 0.54 0.28 -0.36 0.00 0.00 0.00 175.10 175.57 3dhg s PHE 417 N -0.13 3.36 0.31 5.22 0.08 -0.08 -4.92 117.98 121.83 3dhg s PHE 417 Ca 0.01 -1.63 0.04 0.00 0.12 0.00 0.00 56.93 55.47 3dhg s PHE 417 Cb -0.13 -3.08 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 3dhg s PHE 417 CO 0.03 -0.88 0.46 -1.12 -0.10 0.00 0.00 175.22 173.61 3dhg s SER 418 N 2.23 6.14 -0.19 1.36 0.01 -1.26 -0.27 113.70 121.71 3dhg s SER 418 Ca 0.04 0.07 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 3dhg s SER 418 Cb -0.24 -1.64 0.07 0.00 0.21 0.00 0.00 66.02 64.42 3dhg s SER 418 CO 0.01 -0.30 0.44 -0.22 0.41 0.00 0.00 173.24 173.58 3dhg s LEU 419 N -4.16 -0.34 -0.17 2.44 2.96 0.49 -4.96 118.68 114.93 3dhg s LEU 419 Ca 0.40 0.98 -0.17 0.00 -0.22 0.00 0.00 54.13 55.12 3dhg s LEU 419 Cb -0.09 1.45 -0.04 0.00 0.50 0.00 0.00 46.19 48.00 3dhg s LEU 419 CO 0.32 -0.21 0.46 -1.61 -1.32 0.00 0.00 176.35 173.99 3dhg s GLU 420 N 1.80 4.24 -0.17 1.98 2.02 -1.26 -0.07 118.70 127.23 3dhg s GLU 420 Ca -0.07 0.34 -0.07 0.00 0.02 0.00 0.00 54.97 55.19 3dhg s GLU 420 Cb -0.09 -3.51 0.08 0.00 0.10 0.00 0.00 34.13 30.71 3dhg s GLU 420 CO -0.13 0.00 0.37 -1.58 0.02 0.00 0.00 175.26 173.93 3dhg s HIS 421 N 1.16 -0.65 -1.66 1.61 5.65 -0.56 -4.87 115.29 115.98 3dhg s HIS 421 Ca 0.23 1.31 -0.15 0.00 0.25 0.00 0.00 55.06 56.69 3dhg s HIS 421 Cb -0.15 0.20 0.13 0.00 -1.18 0.00 0.00 32.58 31.58 3dhg s HIS 421 CO 0.09 -0.42 0.71 0.09 -0.65 0.00 0.00 174.74 174.56 3dhg n ASN 422 N 5.15 -2.70 0.00 9.88 4.13 -1.26 -2.07 115.26 128.39 3dhg n ASN 422 Ca -0.11 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.13 3dhg n ASN 422 Cb 0.51 -2.76 0.00 0.00 -1.54 0.00 0.00 39.78 35.98 3dhg n ASN 422 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dhg n GLY 423 N -1.53 0.46 3.22 7.41 0.00 -1.26 -5.03 105.19 108.45 3dhg n GLY 423 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 3dhg n GLY 423 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dhg s ARG 424 N -0.82 1.37 -0.31 1.61 3.52 -0.88 -5.12 118.95 118.32 3dhg s ARG 424 Ca 0.00 -0.84 -0.19 0.00 -0.13 0.00 0.00 55.73 54.58 3dhg s ARG 424 Cb 0.00 -1.42 -0.01 0.00 -1.56 0.00 0.00 34.95 31.95 3dhg s ARG 424 CO 0.00 0.37 0.55 -1.17 -0.81 0.00 0.00 175.30 174.24 3dhg s LEU 425 N -0.95 4.20 0.06 -0.88 2.96 -1.26 -1.49 118.68 121.31 3dhg s LEU 425 Ca 0.07 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3dhg s LEU 425 Cb -0.08 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 3dhg s LEU 425 CO 0.01 -0.43 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.28 3dhg s TYR 426 N 2.44 2.97 -0.07 5.38 2.02 0.89 -4.97 117.35 126.02 3dhg s TYR 426 Ca 0.21 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.93 3dhg s TYR 426 Cb -0.15 -1.57 -0.00 0.00 -0.40 0.00 0.00 41.96 39.84 3dhg s TYR 426 CO 0.12 0.45 -0.19 -1.01 -1.57 0.00 0.00 175.55 173.35 3dhg s HIS 427 N -1.21 2.00 0.21 2.71 3.76 -1.26 -0.38 115.29 121.12 3dhg s HIS 427 Ca 0.23 -0.69 0.10 0.00 -0.15 0.00 0.00 55.06 54.55 3dhg s HIS 427 Cb -0.11 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 3dhg s HIS 427 CO 0.15 -0.26 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.51 3dhg s PHE 428 N 0.22 2.05 -2.43 1.40 0.08 0.62 -0.64 117.98 119.28 3dhg s PHE 428 Ca -0.10 -0.42 0.28 0.00 0.12 0.00 0.00 56.93 56.81 3dhg s PHE 428 Cb -0.14 -0.98 1.02 0.00 -0.57 0.00 0.00 43.02 42.35 3dhg s PHE 428 CO 0.05 0.47 1.73 0.41 -0.10 0.00 0.00 175.22 177.78 3dhg n GLY 429 N -0.02 -0.05 3.63 4.36 0.00 -1.26 -0.90 105.19 110.94 3dhg n GLY 429 Ca -0.10 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3dhg n GLY 429 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dhg s SER 430 N -2.04 -0.41 0.35 1.61 1.04 -1.26 -4.87 113.70 108.12 3dhg s SER 430 Ca 0.37 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.55 3dhg s SER 430 Cb 0.21 0.64 0.65 0.00 0.10 0.00 0.00 66.02 67.62 3dhg s SER 430 CO 0.35 -1.11 1.98 -0.08 0.98 0.00 0.00 173.24 175.36 3dhg h GLU 431 N 2.00 0.72 -0.18 4.02 4.81 -1.94 -2.94 114.58 121.07 3dhg h GLU 431 Ca -0.27 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 58.72 3dhg h GLU 431 Cb 1.28 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3dhg h GLU 431 CO 0.31 0.53 -0.56 0.28 -0.73 0.00 0.00 179.01 178.84 3dhg h VAL 432 N 0.73 1.31 -0.60 0.32 2.07 -1.99 -2.24 116.25 115.86 3dhg h VAL 432 Ca 0.19 -1.79 0.04 0.00 0.82 0.00 0.00 66.70 65.96 3dhg h VAL 432 Cb 0.02 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3dhg h VAL 432 CO -0.03 0.56 0.35 0.44 0.02 0.00 0.00 177.57 178.91 3dhg h ASP 433 N 0.39 0.54 -0.76 0.57 3.32 -1.93 0.77 116.42 119.32 3dhg h ASP 433 Ca -0.02 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dhg h ASP 433 Cb 1.18 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 3dhg h ASP 433 CO 0.12 0.37 0.46 -0.09 -1.72 0.00 0.00 179.24 178.38 3dhg h ARG 434 N 0.67 1.04 -0.47 3.56 2.43 -1.53 -2.07 114.38 118.02 3dhg h ARG 434 Ca 0.25 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3dhg h ARG 434 Cb 0.09 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3dhg h ARG 434 CO -0.13 0.74 0.23 2.35 -1.51 0.00 0.00 179.97 181.64 3dhg h TRP 435 N 1.05 0.68 -0.29 2.20 7.01 -0.74 -1.61 115.95 124.25 3dhg h TRP 435 Ca 0.27 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.27 3dhg h TRP 435 Cb -0.03 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 3dhg h TRP 435 CO -0.01 0.55 0.10 0.28 -2.79 0.00 0.00 178.44 176.57 3dhg h VAL 436 N 0.62 0.92 -0.36 2.65 2.07 -0.68 0.12 116.25 121.60 3dhg h VAL 436 Ca 0.16 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3dhg h VAL 436 Cb 0.12 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 3dhg h VAL 436 CO -0.02 0.04 -0.23 0.15 0.02 0.00 0.00 177.57 177.53 3dhg h PHE 437 N 0.23 -0.60 0.00 1.57 3.57 -1.05 -2.55 116.94 118.10 3dhg h PHE 437 Ca 0.13 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3dhg h PHE 437 Cb 0.09 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3dhg h PHE 437 CO -0.13 -0.31 -0.06 1.96 -2.23 0.00 0.00 178.31 177.54 3dhg h GLN 438 N -0.18 0.00 0.00 1.11 4.20 -0.55 -2.14 115.11 117.55 3dhg h GLN 438 Ca 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 3dhg h GLN 438 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3dhg h GLN 438 CO -0.46 0.06 -0.33 1.96 -0.67 0.00 0.00 178.83 179.39 3dhg h GLN 439 N 0.00 0.00 -0.59 1.46 1.08 -0.56 -3.38 115.11 113.11 3dhg h GLN 439 Ca -0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 3dhg h GLN 439 Cb 0.43 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.64 3dhg h GLN 439 CO 0.01 0.33 -0.67 -3.47 -0.95 0.00 0.00 178.83 174.08 3dhg n ASP 440 N -3.78 -1.87 0.03 1.46 2.03 -0.86 -5.02 116.55 108.55 3dhg n ASP 440 Ca -0.01 -3.21 0.05 0.00 0.52 0.00 0.00 54.79 52.13 3dhg n ASP 440 Cb 0.42 1.13 0.46 0.00 -0.72 0.00 0.00 41.12 42.40 3dhg n ASP 440 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3dhg h PRO 441 N 3.77 0.46 0.00 -0.67 0.13 -1.62 -1.75 132.00 132.32 3dhg h PRO 441 Ca -0.08 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 3dhg h PRO 441 Cb 1.00 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 3dhg h PRO 441 CO 0.34 0.31 -0.08 0.28 -0.23 0.00 0.00 178.00 178.62 3dhg h VAL 442 N 0.48 0.40 0.00 1.56 2.07 -1.96 0.14 116.25 118.94 3dhg h VAL 442 Ca 0.14 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3dhg h VAL 442 Cb -0.03 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3dhg h VAL 442 CO -0.03 0.08 -0.25 -0.61 0.02 0.00 0.00 177.57 176.77 3dhg h GLN 443 N 0.00 0.00 0.00 1.57 5.75 -1.69 -3.39 115.11 117.35 3dhg h GLN 443 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3dhg h GLN 443 Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3dhg h GLN 443 CO 0.01 0.25 -0.81 0.66 -2.65 0.00 0.00 178.83 176.29 3dhg n TYR 444 N -3.87 0.00 -0.33 3.99 4.02 -0.47 -4.92 117.16 115.58 3dhg n TYR 444 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.91 3dhg n TYR 444 Cb 0.34 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.87 3dhg n TYR 444 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3dhg h GLN 445 N 0.00 1.07 -0.48 -0.72 3.07 -0.98 -0.71 115.11 116.36 3dhg h GLN 445 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 3dhg h GLN 445 Cb 0.68 -0.24 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3dhg h GLN 445 CO 0.00 0.71 0.00 0.09 0.09 0.00 0.00 178.83 179.72 3dhg n ASN 446 N -4.49 3.10 -4.76 0.06 3.02 -1.26 -4.91 115.26 106.01 3dhg n ASN 446 Ca 0.14 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 3dhg n ASN 446 Cb 0.19 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 3dhg n ASN 446 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3dhg s HIS 447 N -1.37 3.24 -0.20 3.10 2.46 -0.28 -5.01 115.29 117.22 3dhg s HIS 447 Ca 0.39 1.43 -0.03 0.00 0.47 0.00 0.00 55.06 57.32 3dhg s HIS 447 Cb 0.21 -3.56 -0.01 0.00 -0.13 0.00 0.00 32.58 29.09 3dhg s HIS 447 CO 0.29 -1.54 -0.07 -1.64 -2.47 0.00 0.00 174.74 169.31 3dhg s MET 448 N -1.26 3.35 1.11 2.88 -1.94 -1.26 -5.11 119.30 117.07 3dhg s MET 448 Ca 0.50 -0.65 -0.17 0.00 -1.71 0.00 0.00 55.69 53.66 3dhg s MET 448 Cb -0.37 -2.91 0.25 0.00 2.01 0.00 0.00 34.83 33.81 3dhg s MET 448 CO 0.46 -0.13 1.15 0.54 -0.01 0.00 0.00 175.02 177.03 3dhg s ASN 449 N 1.26 1.73 0.31 3.03 2.20 -1.26 -4.70 114.94 117.52 3dhg s ASN 449 Ca 0.03 0.67 0.04 0.00 -0.94 0.00 0.00 52.86 52.66 3dhg s ASN 449 Cb -0.14 -0.96 0.53 0.00 -2.00 0.00 0.00 41.25 38.67 3dhg s ASN 449 CO -0.03 -3.62 1.80 -0.29 -2.94 0.00 0.00 177.10 172.02 3dhg h ILE 450 N -2.24 1.23 -0.14 0.54 2.10 -1.95 0.01 117.51 117.05 3dhg h ILE 450 Ca -0.47 -1.05 -0.20 0.00 1.08 0.00 0.00 64.86 64.22 3dhg h ILE 450 Cb 1.29 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 3dhg h ILE 450 CO 0.40 0.34 -0.72 0.58 -1.08 0.00 0.00 178.15 177.67 3dhg h VAL 451 N 0.41 1.31 -0.55 2.19 2.07 -1.92 -0.89 116.25 118.88 3dhg h VAL 451 Ca 0.07 -1.99 0.06 0.00 0.82 0.00 0.00 66.70 65.66 3dhg h VAL 451 Cb 0.52 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 3dhg h VAL 451 CO 0.03 0.62 0.25 0.44 0.02 0.00 0.00 177.57 178.93 3dhg h ASP 452 N 0.45 0.32 -0.36 0.57 3.32 -1.67 -1.33 116.42 117.73 3dhg h ASP 452 Ca -0.03 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3dhg h ASP 452 Cb 1.33 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 3dhg h ASP 452 CO 0.14 0.21 0.22 0.03 -1.72 0.00 0.00 179.24 178.12 3dhg h ARG 453 N 0.47 0.49 -0.69 3.56 3.08 -0.91 -1.02 114.38 119.36 3dhg h ARG 453 Ca 0.26 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.36 3dhg h ARG 453 Cb 0.23 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 3dhg h ARG 453 CO -0.21 0.36 0.33 0.35 -1.07 0.00 0.00 179.97 179.73 3dhg h PHE 454 N 0.47 0.59 0.00 3.04 3.57 -0.90 -2.03 116.94 121.68 3dhg h PHE 454 Ca 0.13 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 3dhg h PHE 454 Cb -0.00 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3dhg h PHE 454 CO -0.04 0.21 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.54 3dhg h LEU 455 N 0.57 0.00 -0.14 0.59 3.38 -1.07 -3.13 115.31 115.50 3dhg h LEU 455 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3dhg h LEU 455 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3dhg h LEU 455 CO -0.27 0.64 -0.07 0.00 0.09 0.00 0.00 178.44 178.83 3dhg n ALA 456 N -2.33 2.67 -0.03 1.53 0.00 -0.40 -4.92 120.51 117.01 3dhg n ALA 456 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3dhg n ALA 456 Cb 0.70 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3dhg n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhg n GLY 457 N 1.26 0.50 0.16 0.00 0.00 -1.04 -4.97 105.19 101.11 3dhg n GLY 457 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3dhg n GLY 457 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dhg h GLN 458 N 4.90 0.00 -4.78 1.61 4.20 -1.62 -3.41 115.11 116.01 3dhg h GLN 458 Ca 0.00 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.03 3dhg h GLN 458 Cb 0.00 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.45 3dhg h GLN 458 CO 0.00 0.00 -0.70 0.42 -0.67 0.00 0.00 178.83 177.88 3dhg s ILE 459 N -3.32 3.02 -0.06 2.54 1.01 -1.26 -4.99 121.20 118.14 3dhg s ILE 459 Ca 0.05 -1.34 0.04 0.00 0.00 0.00 0.00 60.65 59.40 3dhg s ILE 459 Cb 0.10 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3dhg s ILE 459 CO 0.49 -0.09 -0.17 -1.10 0.00 0.00 0.00 174.94 174.07 3dhg s GLN 460 N 1.27 1.96 0.82 2.79 -1.52 -1.26 -3.11 119.66 120.60 3dhg s GLN 460 Ca -0.05 -0.59 -0.11 0.00 -1.95 0.00 0.00 55.36 52.66 3dhg s GLN 460 Cb -0.20 -1.63 0.09 0.00 -0.22 0.00 0.00 33.01 31.06 3dhg s GLN 460 CO -0.01 0.17 1.09 -2.14 -0.25 0.00 0.00 175.29 174.15 3dhg s PRO 461 N 0.28 1.85 -1.43 2.91 0.02 -1.26 -4.76 135.00 132.60 3dhg s PRO 461 Ca -0.10 1.09 -0.13 0.00 0.02 0.00 0.00 61.00 61.89 3dhg s PRO 461 Cb -0.14 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.59 3dhg s PRO 461 CO 0.04 -1.91 2.18 -0.12 -0.33 0.00 0.00 177.00 176.86 3dhg n MET 462 N -3.69 3.01 -4.04 5.54 1.56 -1.18 -3.86 117.12 114.46 3dhg n MET 462 Ca 0.09 -2.76 -0.10 0.00 -0.27 0.00 0.00 57.70 54.65 3dhg n MET 462 Cb 0.54 -3.21 -0.06 0.00 2.15 0.00 0.00 33.22 32.64 3dhg n MET 462 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3dhg s THR 463 N 2.65 0.00 0.13 1.12 -4.23 -1.26 -5.01 115.64 109.04 3dhg s THR 463 Ca 0.46 -1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 3dhg s THR 463 Cb 0.13 -2.34 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 3dhg s THR 463 CO -0.07 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 175.84 3dhg h LEU 464 N 2.27 -1.28 -1.02 4.79 5.85 -1.92 -0.15 115.31 123.86 3dhg h LEU 464 Ca -0.28 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3dhg h LEU 464 Cb 1.25 0.52 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 3dhg h LEU 464 CO 0.38 -0.43 0.63 -0.08 -0.34 0.00 0.00 178.44 178.60 3dhg h GLU 465 N -0.50 1.28 -0.35 1.25 4.81 -1.97 -1.65 114.58 117.45 3dhg h GLU 465 Ca 0.07 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3dhg h GLU 465 Cb 0.63 -0.28 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 3dhg h GLU 465 CO -0.37 0.86 -0.07 0.78 -0.73 0.00 0.00 179.01 179.48 3dhg h GLY 466 N 1.32 0.27 0.79 1.92 0.00 -1.55 -2.28 103.07 103.54 3dhg h GLY 466 Ca 0.35 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.81 3dhg h GLY 466 CO -0.07 -0.12 0.10 0.00 0.00 0.00 0.00 176.54 176.45 3dhg h ALA 467 N 1.34 0.32 -0.79 3.60 0.00 -0.26 -0.30 119.26 123.17 3dhg h ALA 467 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3dhg h ALA 467 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3dhg h ALA 467 CO -0.34 -0.30 0.49 -0.07 0.00 0.00 0.00 179.25 179.03 3dhg h LEU 468 N 0.23 0.80 -0.51 0.00 3.38 -1.20 0.15 115.31 118.17 3dhg h LEU 468 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3dhg h LEU 468 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dhg h LEU 468 CO -0.12 0.54 0.14 0.50 0.09 0.00 0.00 178.44 179.60 3dhg h LYS 469 N 0.95 0.81 -0.75 1.13 3.11 -1.09 -2.85 116.57 117.88 3dhg h LYS 469 Ca 0.32 -0.19 0.06 0.00 -2.81 0.00 0.00 60.65 58.03 3dhg h LYS 469 Cb 0.06 -0.11 -0.05 0.00 -1.00 0.00 0.00 32.23 31.13 3dhg h LYS 469 CO -0.13 0.77 0.49 -0.92 -2.81 0.00 0.00 179.45 176.85 3dhg h TYR 470 N 0.70 0.83 0.00 1.91 3.20 -0.37 -2.28 116.97 120.96 3dhg h TYR 470 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3dhg h TYR 470 Cb 0.31 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3dhg h TYR 470 CO 0.02 0.45 0.00 -1.33 -1.64 0.00 0.00 178.16 175.66 3dhg n MET 471 N -4.47 0.17 -0.11 1.82 2.81 -0.02 -4.33 117.12 112.99 3dhg n MET 471 Ca 0.11 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3dhg n MET 471 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3dhg n MET 471 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dhg n GLY 472 N 0.99 0.94 3.76 3.03 0.00 -0.86 -2.83 105.19 110.23 3dhg n GLY 472 Ca 0.09 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3dhg n GLY 472 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dhg s PHE 473 N -2.00 3.21 -0.09 1.61 0.08 -1.10 -4.95 117.98 114.74 3dhg s PHE 473 Ca 0.00 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.53 3dhg s PHE 473 Cb 0.00 -3.57 -0.04 0.00 -0.57 0.00 0.00 43.02 38.84 3dhg s PHE 473 CO 0.00 -1.55 0.11 1.04 -0.10 0.00 0.00 175.22 174.71 3dhg n GLN 474 N 1.22 3.53 -3.86 0.44 6.02 -1.26 -4.72 117.38 118.75 3dhg n GLN 474 Ca 0.01 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3dhg n GLN 474 Cb 0.43 -0.82 -0.04 0.00 1.02 0.00 0.00 30.24 30.82 3dhg n GLN 474 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3dhg s SER 475 N -1.74 -0.18 0.22 1.08 1.04 -1.26 -5.05 113.70 107.81 3dhg s SER 475 Ca 0.00 -0.68 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 3dhg s SER 475 Cb 0.02 0.59 0.30 0.00 0.10 0.00 0.00 66.02 67.03 3dhg s SER 475 CO 0.13 -1.11 1.78 0.40 0.98 0.00 0.00 173.24 175.42 3dhg h ILE 476 N 2.22 0.86 0.00 -1.02 2.04 -1.98 -2.77 117.51 116.87 3dhg h ILE 476 Ca -0.27 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3dhg h ILE 476 Cb 1.25 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3dhg h ILE 476 CO 0.36 0.11 -0.05 -0.33 0.00 0.00 0.00 178.15 178.23 3dhg h GLU 477 N 0.58 0.00 0.00 2.37 3.07 -2.02 -2.92 114.58 115.66 3dhg h GLU 477 Ca 0.33 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.08 3dhg h GLU 477 Cb 0.33 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3dhg h GLU 477 CO -0.25 0.05 -0.51 0.93 -1.40 0.00 0.00 179.01 177.83 3dhg h GLU 478 N 0.00 0.00 -6.76 2.33 5.08 -1.85 -3.44 114.58 109.94 3dhg h GLU 478 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3dhg h GLU 478 Cb 0.31 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.58 3dhg h GLU 478 CO 0.01 0.51 0.49 -1.64 -1.00 0.00 0.00 179.01 177.37 3dhg s MET 479 N -3.51 4.60 0.43 2.33 -1.94 -1.10 -4.51 119.30 115.60 3dhg s MET 479 Ca -0.00 1.81 -0.26 0.00 -1.71 0.00 0.00 55.69 55.53 3dhg s MET 479 Cb 0.11 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.65 3dhg s MET 479 CO 0.73 0.13 1.41 0.20 -0.01 0.00 0.00 175.02 177.48 3dhg s GLY 480 N -0.56 2.93 0.33 -0.03 0.00 0.11 -4.90 107.32 105.20 3dhg s GLY 480 Ca 0.47 1.43 0.04 0.00 0.00 0.00 0.00 44.72 46.66 3dhg s GLY 480 CO 0.39 2.05 0.07 0.54 0.00 0.00 0.00 173.10 176.15 3dhg s LYS 481 N -2.36 1.67 0.19 2.90 1.02 -1.26 -2.99 119.74 118.92 3dhg s LYS 481 Ca 0.59 -1.94 -0.32 0.00 0.02 0.00 0.00 55.97 54.32 3dhg s LYS 481 Cb -0.43 -0.81 -0.11 0.00 -0.52 0.00 0.00 37.83 35.96 3dhg s LYS 481 CO 0.56 -0.23 1.66 0.34 -0.92 0.00 0.00 175.35 176.76 3dhg s ASP 482 N -3.49 6.46 0.28 2.83 2.15 -1.26 -2.87 116.67 120.77 3dhg s ASP 482 Ca 0.35 2.77 0.00 0.00 0.43 0.00 0.00 52.55 56.10 3dhg s ASP 482 Cb 0.08 -2.60 0.51 0.00 -0.30 0.00 0.00 42.92 40.61 3dhg s ASP 482 CO 0.15 -0.91 1.87 0.00 -0.17 0.00 0.00 175.17 176.10 3dhg h ALA 483 N 6.75 1.49 -0.45 3.66 0.00 -1.16 -2.32 119.26 127.24 3dhg h ALA 483 Ca -0.43 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3dhg h ALA 483 Cb 1.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3dhg h ALA 483 CO 0.94 0.32 0.03 0.72 0.00 0.00 0.00 179.25 181.26 3dhg n HIS 484 N -4.55 1.58 -4.27 0.00 8.25 -1.26 -4.87 115.22 110.11 3dhg n HIS 484 Ca 0.17 -0.91 -0.35 0.00 -0.26 0.00 0.00 57.72 56.37 3dhg n HIS 484 Cb 0.27 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 3dhg n HIS 484 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3dhg n ASP 485 N -0.09 -1.97 -0.24 0.41 -0.08 -0.87 -1.39 116.55 112.32 3dhg n ASP 485 Ca 0.27 -1.10 -0.03 0.00 -1.51 0.00 0.00 54.79 52.42 3dhg n ASP 485 Cb 1.08 -2.41 -0.01 0.00 2.34 0.00 0.00 41.12 42.13 3dhg n ASP 485 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3dhg n PHE 486 N -4.34 0.00 0.20 -0.67 3.01 -1.26 -4.89 117.46 109.51 3dhg n PHE 486 Ca -0.03 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.61 3dhg n PHE 486 Cb 0.54 -1.63 0.83 0.00 -0.01 0.00 0.00 39.48 39.22 3dhg n PHE 486 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dhg h ALA 487 N 0.00 1.77 -0.02 4.37 0.00 -1.65 -1.56 119.26 122.17 3dhg h ALA 487 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3dhg h ALA 487 Cb 0.74 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dhg h ALA 487 CO 0.09 -0.36 -0.09 0.11 0.00 0.00 0.00 179.25 179.00 3dhg h TRP 488 N 0.00 0.03 0.00 0.00 5.08 -1.90 -2.57 115.95 116.59 3dhg h TRP 488 Ca 0.10 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.06 3dhg h TRP 488 Cb 0.61 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.76 3dhg h TRP 488 CO 0.00 0.13 -0.04 0.00 -1.28 0.00 0.00 178.44 177.25 3dhg h ALA 489 N 1.88 1.10 -0.05 0.11 0.00 -1.67 -1.89 119.26 118.74 3dhg h ALA 489 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3dhg h ALA 489 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dhg h ALA 489 CO 0.01 0.05 -0.09 -0.44 0.00 0.00 0.00 179.25 178.78 3dhg h ASP 490 N 0.00 0.07 -0.08 0.00 5.19 -1.63 -1.68 116.42 118.29 3dhg h ASP 490 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3dhg h ASP 490 Cb 0.27 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.76 3dhg h ASP 490 CO 0.01 0.17 0.00 0.29 -3.12 0.00 0.00 179.24 176.59 3dhg n LYS 491 N -4.39 1.31 0.00 3.56 5.02 -0.71 -5.18 118.16 117.78 3dhg n LYS 491 Ca -0.02 -0.47 0.03 0.00 -2.02 0.00 0.00 58.31 55.83 3dhg n LYS 491 Cb 0.19 -1.30 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3dhg n LYS 491 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88