#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8r s LYS 11 N 0.00 2.02 0.45 5.55 3.01 -1.26 -5.07 119.74 124.44 3f8r s LYS 11 Ca 0.00 -1.11 -0.24 0.00 -1.01 0.00 0.00 55.97 53.60 3f8r s LYS 11 Cb 0.00 -2.22 -0.08 0.00 -1.01 0.00 0.00 37.83 34.52 3f8r s LYS 11 CO 0.00 0.49 1.32 -2.14 0.51 0.00 0.00 175.35 175.53 3f8r s PRO 12 N -2.31 3.69 0.00 -1.68 0.02 -1.26 -1.61 135.00 131.86 3f8r s PRO 12 Ca 0.21 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3f8r s PRO 12 Cb -0.11 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3f8r s PRO 12 CO 0.13 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 3f8r n GLY 13 N 0.63 2.87 3.71 0.52 0.00 -0.05 -5.02 105.19 107.85 3f8r n GLY 13 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3f8r n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3f8r n GLU 14 N -2.00 1.77 -4.17 1.61 2.13 -0.63 -4.42 120.64 114.93 3f8r n GLU 14 Ca 0.00 0.64 -0.35 0.00 0.66 0.00 0.00 57.16 58.11 3f8r n GLU 14 Cb 0.00 -2.42 -0.10 0.00 0.27 0.00 0.00 31.44 29.19 3f8r n GLU 14 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3f8r s LYS 15 N -2.46 3.55 0.14 5.31 2.47 -1.26 -0.73 119.74 126.76 3f8r s LYS 15 Ca 0.65 -0.36 0.08 0.00 -1.56 0.00 0.00 55.97 54.77 3f8r s LYS 15 Cb -0.47 -3.03 -0.04 0.00 -1.46 0.00 0.00 37.83 32.83 3f8r s LYS 15 CO 0.54 0.47 -0.17 -0.06 0.16 0.00 0.00 175.35 176.29 3f8r s PHE 16 N -0.21 1.67 0.20 4.03 0.40 0.22 -4.97 117.98 119.31 3f8r s PHE 16 Ca 0.07 -0.49 -0.08 0.00 -0.60 0.00 0.00 56.93 55.83 3f8r s PHE 16 Cb -0.12 -0.85 0.12 0.00 0.51 0.00 0.00 43.02 42.68 3f8r s PHE 16 CO 0.02 0.25 1.66 -0.44 0.70 0.00 0.00 175.22 177.41 3f8r h ASP 17 N 3.43 0.99 -4.00 1.36 3.32 -1.12 -1.79 116.42 118.62 3f8r h ASP 17 Ca -0.42 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.20 3f8r h ASP 17 Cb 1.20 -0.27 -0.25 0.00 0.22 0.00 0.00 39.33 40.24 3f8r h ASP 17 CO 0.50 1.05 -0.40 0.54 -1.72 0.00 0.00 179.24 179.21 3f8r s VAL 18 N -4.99 0.01 -0.12 -1.35 0.11 -1.07 -1.03 120.40 111.95 3f8r s VAL 18 Ca -0.11 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 3f8r s VAL 18 Cb 0.14 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 3f8r s VAL 18 CO 0.85 -0.05 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.72 3f8r s ILE 19 N -0.08 2.15 -0.19 7.04 1.01 -0.64 -2.09 121.20 128.40 3f8r s ILE 19 Ca -0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 3f8r s ILE 19 Cb -0.03 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3f8r s ILE 19 CO 0.01 0.55 0.13 -0.63 0.00 0.00 0.00 174.94 175.00 3f8r s ILE 20 N 0.60 5.40 -0.24 2.92 1.01 0.62 -1.29 121.20 130.22 3f8r s ILE 20 Ca -0.12 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 3f8r s ILE 20 Cb -0.17 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3f8r s ILE 20 CO 0.03 0.46 0.07 -0.69 0.00 0.00 0.00 174.94 174.81 3f8r s VAL 21 N 0.20 4.41 0.00 2.92 1.01 0.40 -1.00 120.40 128.34 3f8r s VAL 21 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3f8r s VAL 21 Cb -0.11 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3f8r s VAL 21 CO -0.01 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3f8r n GLY 22 N 4.66 2.42 2.31 4.51 0.00 0.48 -0.39 105.19 119.18 3f8r n GLY 22 Ca -0.16 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3f8r n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3f8r n LEU 23 N 0.00 0.78 0.00 0.99 7.94 -1.26 -4.26 117.00 121.19 3f8r n LEU 23 Ca 0.00 -2.69 -0.01 0.00 -1.11 0.00 0.00 56.01 52.20 3f8r n LEU 23 Cb 0.00 0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3f8r n LEU 23 CO 0.00 1.02 0.02 0.61 -1.11 0.00 0.00 177.39 177.93 3f8r n GLY 24 N -0.39 1.77 0.28 -3.96 0.00 -1.26 0.26 105.19 101.88 3f8r n GLY 24 Ca 0.00 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 43.99 3f8r n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f8r h PRO 25 N 0.00 0.24 -0.71 1.61 0.11 -1.95 -1.68 132.00 129.63 3f8r h PRO 25 Ca -0.01 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3f8r h PRO 25 Cb 0.06 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3f8r h PRO 25 CO 0.02 0.16 0.38 0.00 -0.21 0.00 0.00 178.00 178.35 3f8r h ALA 26 N 1.66 0.91 -0.48 -0.75 0.00 -1.90 -0.25 119.26 118.46 3f8r h ALA 26 Ca 0.45 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3f8r h ALA 26 Cb 0.81 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3f8r h ALA 26 CO -0.56 0.44 -0.17 0.00 0.00 0.00 0.00 179.25 178.96 3f8r h ALA 27 N 1.19 0.66 -0.76 0.00 0.00 -1.62 -0.68 119.26 118.04 3f8r h ALA 27 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3f8r h ALA 27 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3f8r h ALA 27 CO -0.04 0.62 0.34 1.88 0.00 0.00 0.00 179.25 182.05 3f8r h TYR 28 N 0.81 1.12 -0.54 0.00 0.05 -1.13 0.13 116.97 117.41 3f8r h TYR 28 Ca 0.11 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 3f8r h TYR 28 Cb 0.74 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 3f8r h TYR 28 CO 0.05 0.84 0.22 0.78 -1.05 0.00 0.00 178.16 178.99 3f8r h GLY 29 N 1.08 0.86 1.44 3.88 0.00 -0.82 -1.89 103.07 107.63 3f8r h GLY 29 Ca 0.26 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 3f8r h GLY 29 CO -0.03 0.44 -0.47 0.00 0.00 0.00 0.00 176.54 176.48 3f8r h ALA 30 N 1.06 0.75 -0.57 3.60 0.00 -0.77 -3.12 119.26 120.22 3f8r h ALA 30 Ca 0.18 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3f8r h ALA 30 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3f8r h ALA 30 CO -0.01 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.01 3f8r h ALA 31 N 1.00 0.75 -0.28 0.00 0.00 -0.48 0.18 119.26 120.43 3f8r h ALA 31 Ca 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3f8r h ALA 31 Cb 1.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3f8r h ALA 31 CO 0.09 0.48 0.09 1.25 0.00 0.00 0.00 179.25 181.16 3f8r h LEU 32 N 0.82 0.10 -0.22 0.00 5.85 -1.37 0.07 115.31 120.56 3f8r h LEU 32 Ca 0.17 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.75 3f8r h LEU 32 Cb 0.39 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3f8r h LEU 32 CO 0.01 0.09 -0.54 1.88 -0.34 0.00 0.00 178.44 179.54 3f8r h TYR 33 N 0.22 0.96 -0.41 1.25 -1.99 -1.45 -1.70 116.97 113.85 3f8r h TYR 33 Ca 0.12 -0.37 -0.01 0.00 2.00 0.00 0.00 58.73 60.47 3f8r h TYR 33 Cb 0.09 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 3f8r h TYR 33 CO -0.13 1.17 0.21 0.66 -0.00 0.00 0.00 178.16 180.07 3f8r h SER 34 N 0.47 0.52 -0.65 3.88 4.64 -0.77 -0.49 113.55 121.16 3f8r h SER 34 Ca -0.01 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 3f8r h SER 34 Cb 1.16 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 3f8r h SER 34 CO 0.12 0.48 0.16 0.00 -0.87 0.00 0.00 176.83 176.72 3f8r h ALA 35 N 1.06 0.85 0.00 5.18 0.00 -1.00 -1.52 119.26 123.83 3f8r h ALA 35 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f8r h ALA 35 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3f8r h ALA 35 CO -0.02 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3f8r h ARG 36 N 0.96 0.00 -0.01 0.00 3.08 -0.88 0.14 114.38 117.67 3f8r h ARG 36 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3f8r h ARG 36 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3f8r h ARG 36 CO 0.00 0.00 -0.04 0.66 -1.07 0.00 0.00 179.97 179.52 3f8r n TYR 37 N -2.53 0.00 -2.60 3.04 4.01 -0.23 -4.90 117.16 113.95 3f8r n TYR 37 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3f8r n TYR 37 Cb 0.22 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.22 3f8r n TYR 37 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3f8r n MET 38 N -0.39 -2.40 -3.34 -0.72 2.81 0.49 -5.02 117.12 108.55 3f8r n MET 38 Ca 0.19 0.49 -0.38 0.00 -1.81 0.00 0.00 57.70 56.19 3f8r n MET 38 Cb 0.28 -4.50 -0.06 0.00 -0.71 0.00 0.00 33.22 28.23 3f8r n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3f8r s LEU 39 N -3.72 4.42 -0.41 4.03 1.43 -0.64 -4.99 118.68 118.80 3f8r s LEU 39 Ca 0.14 1.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.99 3f8r s LEU 39 Cb -0.06 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 3f8r s LEU 39 CO 0.17 0.18 1.71 -0.75 0.23 0.00 0.00 176.35 177.90 3f8r s LYS 40 N -0.45 3.26 -0.03 1.70 2.20 -1.26 -4.36 119.74 120.79 3f8r s LYS 40 Ca 0.27 1.13 0.02 0.00 -0.36 0.00 0.00 55.97 57.03 3f8r s LYS 40 Cb -0.17 -4.19 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 3f8r s LYS 40 CO 0.15 -1.96 -0.06 0.99 -0.36 0.00 0.00 175.35 174.11 3f8r s THR 41 N 6.93 3.74 -0.05 3.43 2.01 -1.26 -0.52 115.64 129.93 3f8r s THR 41 Ca 0.72 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.12 3f8r s THR 41 Cb -0.18 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.75 3f8r s THR 41 CO 0.31 0.48 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.38 3f8r s LEU 42 N -1.19 1.68 -0.14 4.42 2.96 -0.89 -4.11 118.68 121.41 3f8r s LEU 42 Ca 0.15 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3f8r s LEU 42 Cb -0.11 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 3f8r s LEU 42 CO 0.05 0.05 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.37 3f8r s VAL 43 N 0.49 3.63 -0.23 1.68 1.01 -0.61 -0.28 120.40 126.10 3f8r s VAL 43 Ca -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3f8r s VAL 43 Cb -0.13 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.74 3f8r s VAL 43 CO 0.02 0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 174.94 3f8r s ILE 44 N 0.30 1.59 0.01 2.22 1.01 -0.17 -0.16 121.20 125.99 3f8r s ILE 44 Ca -0.05 -1.23 -0.05 0.00 0.00 0.00 0.00 60.65 59.32 3f8r s ILE 44 Cb -0.15 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 3f8r s ILE 44 CO 0.04 -0.07 0.09 -0.83 0.00 0.00 0.00 174.94 174.17 3f8r s GLY 45 N 1.37 0.10 -0.14 6.18 0.00 -0.39 -0.39 107.32 114.06 3f8r s GLY 45 Ca -0.06 -0.26 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 3f8r s GLY 45 CO -0.06 -0.38 0.58 -2.09 0.00 0.00 0.00 173.10 171.15 3f8r h GLU 46 N 4.41 0.00 -4.87 2.90 4.57 -1.77 -2.48 114.58 117.34 3f8r h GLU 46 Ca -0.31 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.20 3f8r h GLU 46 Cb 1.20 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.48 3f8r h GLU 46 CO 0.41 0.83 -0.71 0.99 -1.18 0.00 0.00 179.01 179.35 3f8r s THR 47 N -2.14 3.18 0.17 0.32 2.01 -1.26 -4.68 115.64 113.24 3f8r s THR 47 Ca -0.17 -0.97 -0.32 0.00 0.31 0.00 0.00 61.69 60.54 3f8r s THR 47 Cb -0.02 -2.64 -0.10 0.00 0.01 0.00 0.00 72.50 69.75 3f8r s THR 47 CO 0.57 0.14 1.60 -2.84 -0.69 0.00 0.00 174.62 173.39 3f8r s PRO 48 N 1.36 4.20 0.00 4.92 0.02 -1.26 -1.87 135.00 142.37 3f8r s PRO 48 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3f8r s PRO 48 Cb -0.17 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3f8r s PRO 48 CO -0.02 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3f8r n GLY 49 N 3.80 2.32 7.00 0.52 0.00 0.14 -4.73 105.19 114.24 3f8r n GLY 49 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3f8r n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f8r n GLY 50 N -2.00 3.06 0.07 -0.02 0.00 -0.78 -1.62 105.19 103.90 3f8r n GLY 50 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.81 3f8r n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f8r n GLN 51 N 14.00 0.07 0.29 1.61 6.02 -1.26 -1.72 117.38 136.39 3f8r n GLN 51 Ca 0.00 0.49 0.17 0.00 -0.01 0.00 0.00 57.00 57.65 3f8r n GLN 51 Cb 0.00 -1.69 0.90 0.00 1.02 0.00 0.00 30.24 30.47 3f8r n GLN 51 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3f8r h LEU 52 N 0.00 0.00 -2.54 1.08 3.38 -1.67 -1.53 115.31 114.02 3f8r h LEU 52 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f8r h LEU 52 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3f8r h LEU 52 CO 0.00 0.05 -0.00 0.71 0.09 0.00 0.00 178.44 179.29 3f8r h THR 53 N 0.00 0.01 -0.38 0.22 1.35 -1.50 -1.94 112.91 110.66 3f8r h THR 53 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3f8r h THR 53 Cb 0.21 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3f8r h THR 53 CO 0.01 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.66 3f8r n GLU 54 N -3.09 2.36 -3.34 4.72 1.02 -0.58 -5.01 120.64 116.72 3f8r n GLU 54 Ca -0.02 -2.16 -0.19 0.00 -0.02 0.00 0.00 57.16 54.77 3f8r n GLU 54 Cb 0.14 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3f8r n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f8r s ALA 55 N -1.27 4.25 0.00 0.62 0.00 -0.73 -4.77 121.76 119.86 3f8r s ALA 55 Ca 0.34 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3f8r s ALA 55 Cb 0.19 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3f8r s ALA 55 CO 0.27 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.33 3f8r n GLY 56 N -1.72 0.72 3.74 0.00 0.00 -1.26 -4.56 105.19 102.12 3f8r n GLY 56 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3f8r n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8r s ILE 57 N 2.86 3.81 -0.21 -0.61 -1.09 -1.26 -1.05 121.20 123.65 3f8r s ILE 57 Ca 0.00 1.62 -0.03 0.00 -2.23 0.00 0.00 60.65 60.01 3f8r s ILE 57 Cb 0.00 -4.03 -0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3f8r s ILE 57 CO 0.00 0.30 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.25 3f8r s VAL 58 N -0.45 3.12 -0.07 2.92 1.01 0.13 -4.88 120.40 122.18 3f8r s VAL 58 Ca 0.48 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 61.99 3f8r s VAL 58 Cb -0.30 -2.40 0.21 0.00 0.00 0.00 0.00 36.38 33.89 3f8r s VAL 58 CO 0.36 0.45 1.10 -0.67 0.00 0.00 0.00 175.10 176.34 3f8r n ASP 59 N 4.71 1.20 -0.40 3.32 2.03 -1.26 -1.69 116.55 124.45 3f8r n ASP 59 Ca -0.19 -2.63 0.04 0.00 0.52 0.00 0.00 54.79 52.54 3f8r n ASP 59 Cb 0.51 -0.34 0.11 0.00 -0.72 0.00 0.00 41.12 40.68 3f8r n ASP 59 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3f8r n ASP 60 N -0.61 2.64 -4.19 1.67 5.68 -1.26 -4.82 116.55 115.65 3f8r n ASP 60 Ca 0.09 -2.13 -0.40 0.00 -0.50 0.00 0.00 54.79 51.85 3f8r n ASP 60 Cb 0.73 -0.18 -0.09 0.00 -1.14 0.00 0.00 41.12 40.43 3f8r n ASP 60 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3f8r s TYR 61 N -1.23 3.46 -0.30 2.11 5.04 -1.26 -4.76 117.35 120.41 3f8r s TYR 61 Ca 0.17 -1.97 -0.43 0.00 -2.44 0.00 0.00 57.07 52.39 3f8r s TYR 61 Cb 0.10 -3.38 -0.19 0.00 0.35 0.00 0.00 41.96 38.84 3f8r s TYR 61 CO 0.09 -0.98 1.50 -0.11 -1.34 0.00 0.00 175.55 174.71 3f8r n LEU 62 N 4.83 1.26 0.00 6.97 7.94 -1.26 -2.07 117.00 134.67 3f8r n LEU 62 Ca -0.07 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3f8r n LEU 62 Cb 0.41 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.39 3f8r n LEU 62 CO 0.40 -0.99 0.00 0.61 -1.11 0.00 0.00 177.39 176.30 3f8r n GLY 63 N 3.40 3.29 3.08 -3.96 0.00 -1.26 -4.98 105.19 104.75 3f8r n GLY 63 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 3f8r n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8r s LEU 64 N 0.00 5.30 -0.03 0.99 1.43 -0.88 -5.07 118.68 120.42 3f8r s LEU 64 Ca 0.00 -3.34 -0.30 0.00 -1.03 0.00 0.00 54.13 49.46 3f8r s LEU 64 Cb 0.00 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 3f8r s LEU 64 CO 0.00 -0.25 1.56 -0.63 0.23 0.00 0.00 176.35 177.25 3f8r s ILE 65 N -0.78 3.58 -1.40 -0.59 1.01 -1.26 -3.89 121.20 117.87 3f8r s ILE 65 Ca 0.22 0.84 -0.07 0.00 0.00 0.00 0.00 60.65 61.64 3f8r s ILE 65 Cb -0.13 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.80 3f8r s ILE 65 CO -0.08 -0.04 0.34 -0.62 0.00 0.00 0.00 174.94 174.53 3f8r n GLU 66 N 6.41 -1.79 -3.33 2.79 1.02 -1.23 -4.92 120.64 119.60 3f8r n GLU 66 Ca 0.16 0.25 -0.37 0.00 -0.02 0.00 0.00 57.16 57.17 3f8r n GLU 66 Cb 0.43 -3.85 -0.06 0.00 -0.02 0.00 0.00 31.44 27.94 3f8r n GLU 66 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3f8r s ILE 67 N -4.01 4.82 0.40 -3.67 2.07 -0.68 -4.79 121.20 115.34 3f8r s ILE 67 Ca 0.12 1.03 -0.26 0.00 -1.41 0.00 0.00 60.65 60.14 3f8r s ILE 67 Cb -0.06 -3.82 -0.08 0.00 0.13 0.00 0.00 42.46 38.63 3f8r s ILE 67 CO 0.94 0.45 1.22 -1.10 -1.91 0.00 0.00 174.94 174.54 3f8r s GLN 68 N -1.40 4.02 0.34 3.50 -1.52 -1.26 0.21 119.66 123.56 3f8r s GLN 68 Ca 0.31 1.96 0.02 0.00 -1.95 0.00 0.00 55.36 55.71 3f8r s GLN 68 Cb -0.18 -2.71 0.63 0.00 -0.22 0.00 0.00 33.01 30.53 3f8r s GLN 68 CO 0.18 -0.38 1.99 0.00 -0.25 0.00 0.00 175.29 176.83 3f8r h ALA 69 N 2.66 1.56 -0.27 6.09 0.00 -1.33 -1.03 119.26 126.95 3f8r h ALA 69 Ca -0.49 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3f8r h ALA 69 Cb 1.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3f8r h ALA 69 CO 0.63 0.38 -0.04 0.66 0.00 0.00 0.00 179.25 180.88 3f8r h SER 70 N 0.88 0.39 0.63 0.00 4.64 -1.84 -1.22 113.55 117.02 3f8r h SER 70 Ca 0.26 -0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 3f8r h SER 70 Cb -0.02 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3f8r h SER 70 CO -0.07 0.49 -0.79 0.44 -0.87 0.00 0.00 176.83 176.04 3f8r h ASP 71 N 0.40 0.15 -0.35 4.97 3.32 -1.61 -2.41 116.42 120.90 3f8r h ASP 71 Ca 0.09 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3f8r h ASP 71 Cb 0.33 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3f8r h ASP 71 CO 0.01 0.87 0.07 -0.03 -1.72 0.00 0.00 179.24 178.45 3f8r h MET 72 N 0.07 0.56 -0.37 3.56 4.05 -0.67 -0.44 114.93 121.70 3f8r h MET 72 Ca -0.02 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.29 3f8r h MET 72 Cb 1.38 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 32.07 3f8r h MET 72 CO 0.11 0.62 0.14 0.82 0.23 0.00 0.00 176.91 178.84 3f8r h ILE 73 N 0.41 0.92 -0.72 1.77 2.04 -1.19 0.41 117.51 121.15 3f8r h ILE 73 Ca 0.11 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3f8r h ILE 73 Cb 0.32 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3f8r h ILE 73 CO 0.00 0.06 0.36 0.11 0.00 0.00 0.00 178.15 178.68 3f8r h LYS 74 N 0.31 1.03 -0.02 2.37 1.57 -1.22 -0.53 116.57 120.09 3f8r h LYS 74 Ca 0.16 -0.14 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3f8r h LYS 74 Cb 0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3f8r h LYS 74 CO -0.15 0.80 -0.75 -0.24 -0.57 0.00 0.00 179.45 178.53 3f8r h VAL 75 N 1.01 1.48 -0.47 0.50 3.04 -0.69 -0.82 116.25 120.29 3f8r h VAL 75 Ca 0.25 -2.42 -0.02 0.00 -1.01 0.00 0.00 66.70 63.51 3f8r h VAL 75 Cb 0.10 2.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.66 3f8r h VAL 75 CO -0.03 0.70 0.23 -0.26 -1.01 0.00 0.00 177.57 177.20 3f8r h PHE 76 N 0.08 0.68 -0.60 3.17 0.04 -0.65 -1.44 116.94 118.22 3f8r h PHE 76 Ca -0.02 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 3f8r h PHE 76 Cb 1.32 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.24 3f8r h PHE 76 CO 0.02 0.54 0.33 -0.97 -0.60 0.00 0.00 178.31 177.62 3f8r h ASN 77 N 0.62 0.74 -0.69 2.17 -0.73 -0.90 -2.32 115.58 114.48 3f8r h ASN 77 Ca 0.16 -0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 3f8r h ASN 77 Cb 0.11 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 3f8r h ASN 77 CO -0.02 0.62 0.39 0.11 -0.37 0.00 0.00 177.43 178.16 3f8r h LYS 78 N 0.81 0.96 -0.36 6.67 1.57 -0.88 -0.99 116.57 124.34 3f8r h LYS 78 Ca 0.21 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3f8r h LYS 78 Cb 0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3f8r h LYS 78 CO -0.03 0.70 0.09 1.25 -0.57 0.00 0.00 179.45 180.88 3f8r h HIS 79 N 0.97 0.61 0.00 -1.35 2.76 -0.74 -0.49 115.15 116.90 3f8r h HIS 79 Ca 0.25 -0.07 -0.15 0.00 -2.20 0.00 0.00 60.37 58.20 3f8r h HIS 79 Cb 0.01 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 3f8r h HIS 79 CO 0.01 0.61 -0.70 -0.84 -1.30 0.00 0.00 177.93 175.71 3f8r h ILE 80 N 0.44 1.42 0.00 6.26 3.07 -1.10 -3.07 117.51 124.53 3f8r h ILE 80 Ca 0.11 -2.45 -0.03 0.00 1.55 0.00 0.00 64.86 64.05 3f8r h ILE 80 Cb 0.30 2.35 -0.00 0.00 -0.27 0.00 0.00 36.82 39.20 3f8r h ILE 80 CO 0.00 0.68 -0.12 -0.33 -1.05 0.00 0.00 178.15 177.33 3f8r h GLU 81 N 0.00 0.00 -0.10 0.16 4.39 -0.94 -0.32 114.58 117.77 3f8r h GLU 81 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3f8r h GLU 81 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 3f8r h GLU 81 CO 0.09 0.12 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.80 3f8r h LYS 82 N 0.00 0.14 -0.63 2.33 3.64 -0.98 0.12 116.57 121.18 3f8r h LYS 82 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3f8r h LYS 82 Cb 0.66 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3f8r h LYS 82 CO 0.02 0.19 0.00 0.66 -2.27 0.00 0.00 179.45 178.05 3f8r n TYR 83 N -4.41 1.17 -4.01 1.91 4.01 -0.15 -4.94 117.16 110.74 3f8r n TYR 83 Ca -0.01 -0.46 -0.31 0.00 -0.16 0.00 0.00 57.90 56.96 3f8r n TYR 83 Cb 0.17 -0.22 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3f8r n TYR 83 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3f8r n GLU 84 N 0.75 -4.23 -2.66 -0.72 1.02 0.41 -4.93 120.64 110.28 3f8r n GLU 84 Ca 0.19 0.48 -0.43 0.00 -0.02 0.00 0.00 57.16 57.39 3f8r n GLU 84 Cb 0.73 -5.14 -0.02 0.00 -0.02 0.00 0.00 31.44 26.98 3f8r n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3f8r s VAL 85 N -3.46 4.71 0.24 2.62 1.01 -1.17 -4.99 120.40 119.37 3f8r s VAL 85 Ca 0.50 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 64.18 3f8r s VAL 85 Cb -0.26 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 3f8r s VAL 85 CO 0.87 -0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.97 3f8r s PRO 86 N 2.20 4.53 -0.14 2.72 0.04 -1.26 -4.80 135.00 138.29 3f8r s PRO 86 Ca 0.49 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.45 3f8r s PRO 86 Cb -0.19 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3f8r s PRO 86 CO 0.17 0.01 -0.20 0.08 0.04 0.00 0.00 177.00 177.09 3f8r s VAL 87 N -0.61 1.95 -0.16 -0.36 1.01 -1.26 -1.57 120.40 119.40 3f8r s VAL 87 Ca 0.49 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 3f8r s VAL 87 Cb -0.33 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3f8r s VAL 87 CO 0.40 0.53 -0.01 -0.76 0.00 0.00 0.00 175.10 175.26 3f8r s LEU 88 N 0.90 3.38 -0.57 3.92 1.43 0.77 -4.99 118.68 123.53 3f8r s LEU 88 Ca -0.06 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 3f8r s LEU 88 Cb -0.15 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.34 3f8r s LEU 88 CO -0.03 0.18 0.68 -0.76 0.23 0.00 0.00 176.35 176.65 3f8r s LEU 89 N 0.33 5.28 0.25 1.79 1.43 -1.26 -1.26 118.68 125.25 3f8r s LEU 89 Ca -0.02 -1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 51.57 3f8r s LEU 89 Cb -0.14 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.81 3f8r s LEU 89 CO 0.02 -1.06 0.91 -0.62 0.23 0.00 0.00 176.35 175.84 3f8r s ASP 90 N 3.38 -0.07 -0.11 2.29 2.15 -0.93 -4.92 116.67 118.47 3f8r s ASP 90 Ca 0.12 -0.75 -0.05 0.00 0.43 0.00 0.00 52.55 52.31 3f8r s ASP 90 Cb -0.23 0.63 -0.04 0.00 -0.30 0.00 0.00 42.92 42.98 3f8r s ASP 90 CO 0.08 -1.22 0.07 -0.63 -0.17 0.00 0.00 175.17 173.29 3f8r s ILE 91 N -2.66 4.90 -0.17 4.11 1.01 -1.26 -2.44 121.20 124.69 3f8r s ILE 91 Ca 0.17 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 3f8r s ILE 91 Cb -0.03 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 3f8r s ILE 91 CO 0.07 0.60 0.30 -0.69 0.00 0.00 0.00 174.94 175.22 3f8r s VAL 92 N -0.88 5.30 -0.10 2.92 1.01 -1.26 -0.90 120.40 126.49 3f8r s VAL 92 Ca 0.13 0.55 0.18 0.00 0.00 0.00 0.00 61.98 62.85 3f8r s VAL 92 Cb -0.12 -3.64 -0.26 0.00 0.00 0.00 0.00 36.38 32.36 3f8r s VAL 92 CO 0.03 0.37 0.24 -0.62 0.00 0.00 0.00 175.10 175.12 3f8r n GLU 93 N 3.70 0.83 -3.60 2.72 1.02 0.11 -4.89 120.64 120.53 3f8r n GLU 93 Ca -0.12 -0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 56.77 3f8r n GLU 93 Cb 0.52 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 3f8r n GLU 93 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3f8r s LYS 94 N -2.89 0.91 -0.25 3.49 2.47 -1.03 -5.01 119.74 117.43 3f8r s LYS 94 Ca -0.08 0.36 0.01 0.00 -1.56 0.00 0.00 55.97 54.70 3f8r s LYS 94 Cb 0.09 0.43 0.07 0.00 -1.46 0.00 0.00 37.83 36.95 3f8r s LYS 94 CO 0.77 -0.24 -0.05 0.42 0.16 0.00 0.00 175.35 176.41 3f8r s ILE 95 N -0.79 1.69 -0.05 5.43 1.01 -1.26 -1.10 121.20 126.13 3f8r s ILE 95 Ca -0.08 -1.42 -0.00 0.00 0.00 0.00 0.00 60.65 59.14 3f8r s ILE 95 Cb -0.02 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3f8r s ILE 95 CO 0.07 -0.17 -0.01 -0.70 0.00 0.00 0.00 174.94 174.13 3f8r s GLU 96 N 1.30 2.87 0.02 2.79 2.12 0.78 -4.92 118.70 123.67 3f8r s GLU 96 Ca -0.04 -0.51 0.08 0.00 0.36 0.00 0.00 54.97 54.86 3f8r s GLU 96 Cb -0.19 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3f8r s GLU 96 CO -0.07 0.67 -0.22 1.21 -0.54 0.00 0.00 175.26 176.31 3f8r s ASN 97 N -1.13 3.49 0.00 -1.70 3.04 -1.26 0.67 114.94 118.05 3f8r s ASN 97 Ca 0.16 -0.47 0.00 0.00 0.04 0.00 0.00 52.86 52.59 3f8r s ASN 97 Cb -0.11 -0.48 0.00 0.00 -1.54 0.00 0.00 41.25 39.12 3f8r s ASN 97 CO 0.05 0.28 0.00 -1.84 -3.04 0.00 0.00 177.10 172.55 3f8r n GLU 101 N 1.84 0.00 -4.02 0.43 0.28 -1.26 -4.83 120.64 113.07 3f8r n GLU 101 Ca -0.16 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.56 3f8r n GLU 101 Cb 0.52 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.34 3f8r n GLU 101 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3f8r s PHE 102 N 0.00 3.28 -0.18 -1.84 0.08 0.50 -4.95 117.98 114.88 3f8r s PHE 102 Ca 0.00 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.13 3f8r s PHE 102 Cb 0.00 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 3f8r s PHE 102 CO 0.00 0.53 -0.19 0.08 -0.10 0.00 0.00 175.22 175.54 3f8r s VAL 103 N -1.63 2.16 -0.31 -0.44 1.01 0.21 -1.68 120.40 119.72 3f8r s VAL 103 Ca 0.32 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3f8r s VAL 103 Cb -0.11 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3f8r s VAL 103 CO 0.25 0.53 0.12 -0.69 0.00 0.00 0.00 175.10 175.31 3f8r s VAL 104 N 1.25 4.23 -0.25 2.92 1.01 0.87 -0.15 120.40 130.28 3f8r s VAL 104 Ca 0.04 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3f8r s VAL 104 Cb -0.13 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3f8r s VAL 104 CO -0.11 0.01 0.16 -0.54 0.00 0.00 0.00 175.10 174.63 3f8r s LYS 105 N 1.53 4.04 0.20 2.72 1.02 -0.26 -0.70 119.74 128.29 3f8r s LYS 105 Ca 0.03 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.74 3f8r s LYS 105 Cb -0.18 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 3f8r s LYS 105 CO 0.04 0.01 0.38 0.95 -0.92 0.00 0.00 175.35 175.81 3f8r s THR 106 N 1.19 5.23 0.38 2.17 -4.23 -0.23 0.06 115.64 120.21 3f8r s THR 106 Ca 0.07 -0.47 0.11 0.00 -1.18 0.00 0.00 61.69 60.22 3f8r s THR 106 Cb -0.14 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 70.07 3f8r s THR 106 CO 0.06 -0.18 1.87 0.50 -0.54 0.00 0.00 174.62 176.32 3f8r h LYS 107 N 1.92 0.12 0.00 3.99 3.64 -1.32 -3.39 116.57 121.54 3f8r h LYS 107 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3f8r h LYS 107 Cb 1.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3f8r h LYS 107 CO 0.67 0.38 -0.00 0.54 -2.27 0.00 0.00 179.45 178.77 3f8r n ARG 108 N -4.19 2.21 -0.06 1.90 1.74 -1.26 -4.89 116.66 112.11 3f8r n ARG 108 Ca -0.02 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.15 3f8r n ARG 108 Cb 0.34 -0.16 0.11 0.00 -1.02 0.00 0.00 32.46 31.73 3f8r n ARG 108 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3f8r n LYS 109 N -0.31 1.54 0.00 5.56 5.02 -1.26 -5.11 118.16 123.59 3f8r n LYS 109 Ca 0.00 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 3f8r n LYS 109 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3f8r n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f8r n GLY 110 N -1.26 -1.81 3.56 0.72 0.00 -1.26 -4.80 105.19 100.34 3f8r n GLY 110 Ca 0.13 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 3f8r n GLY 110 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3f8r s GLU 111 N 0.00 2.02 0.06 1.61 -1.05 -1.26 -1.06 118.70 119.02 3f8r s GLU 111 Ca 0.00 -1.28 0.02 0.00 -0.15 0.00 0.00 54.97 53.56 3f8r s GLU 111 Cb 0.00 -2.14 -0.03 0.00 -0.44 0.00 0.00 34.13 31.52 3f8r s GLU 111 CO 0.00 0.43 -0.07 -0.06 0.95 0.00 0.00 175.26 176.51 3f8r s PHE 112 N -1.68 0.75 0.18 4.83 0.08 0.12 -0.87 117.98 121.38 3f8r s PHE 112 Ca 0.24 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.68 3f8r s PHE 112 Cb -0.09 -0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 41.88 3f8r s PHE 112 CO 0.15 -0.12 0.13 0.15 -0.10 0.00 0.00 175.22 175.43 3f8r s LYS 113 N -2.48 2.84 -0.01 0.44 -0.14 0.09 -0.09 119.74 120.39 3f8r s LYS 113 Ca -0.01 -0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 53.38 3f8r s LYS 113 Cb -0.04 -2.59 0.07 0.00 -1.68 0.00 0.00 37.83 33.59 3f8r s LYS 113 CO -0.02 0.47 0.69 0.00 -0.76 0.00 0.00 175.35 175.73 3f8r s ALA 114 N -1.81 -1.74 0.10 5.17 0.00 -0.68 -0.61 121.76 122.19 3f8r s ALA 114 Ca 0.31 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.48 3f8r s ALA 114 Cb -0.10 0.18 -0.20 0.00 0.00 0.00 0.00 23.12 23.00 3f8r s ALA 114 CO 0.23 -0.47 1.24 -0.44 0.00 0.00 0.00 175.76 176.32 3f8r h ASP 115 N 2.70 0.00 -5.23 0.00 3.32 -1.09 0.14 116.42 116.26 3f8r h ASP 115 Ca -0.28 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.67 3f8r h ASP 115 Cb 1.19 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 3f8r h ASP 115 CO 0.38 0.98 -0.38 -0.94 -1.72 0.00 0.00 179.24 177.56 3f8r s SER 116 N -6.65 0.11 -0.01 6.45 1.04 -0.20 -4.77 113.70 109.67 3f8r s SER 116 Ca 0.01 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.64 3f8r s SER 116 Cb 0.10 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3f8r s SER 116 CO 0.82 -0.80 -0.06 -0.69 0.98 0.00 0.00 173.24 173.49 3f8r s VAL 117 N -3.93 0.48 -0.18 5.02 1.01 -0.50 -1.62 120.40 120.68 3f8r s VAL 117 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3f8r s VAL 117 Cb 0.04 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 36.00 3f8r s VAL 117 CO -0.05 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.40 3f8r s ILE 118 N 0.14 2.24 -0.22 2.22 1.01 -0.41 -0.32 121.20 125.86 3f8r s ILE 118 Ca -0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 3f8r s ILE 118 Cb -0.06 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3f8r s ILE 118 CO -0.00 0.52 0.36 -0.76 0.00 0.00 0.00 174.94 175.06 3f8r s LEU 119 N 1.28 4.13 -0.36 2.97 1.43 0.13 -0.45 118.68 127.81 3f8r s LEU 119 Ca 0.04 0.41 0.14 0.00 -1.03 0.00 0.00 54.13 53.70 3f8r s LEU 119 Cb -0.13 -2.44 0.45 0.00 0.03 0.00 0.00 46.19 44.09 3f8r s LEU 119 CO -0.11 -0.08 1.00 0.61 0.23 0.00 0.00 176.35 178.00 3f8r n GLY 120 N 4.11 2.93 0.25 -3.19 0.00 0.47 -0.86 105.19 108.91 3f8r n GLY 120 Ca -0.09 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.32 3f8r n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3f8r n ILE 121 N -0.18 0.00 -4.00 -0.61 -5.35 -1.23 -4.42 119.36 103.57 3f8r n ILE 121 Ca 0.18 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3f8r n ILE 121 Cb 0.77 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 3f8r n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f8r n GLY 122 N 1.14 1.00 3.12 3.28 0.00 -1.26 -4.91 105.19 107.55 3f8r n GLY 122 Ca 0.20 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 3f8r n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f8r s VAL 123 N 0.00 0.24 -0.14 1.61 -7.23 -1.26 -3.90 120.40 109.72 3f8r s VAL 123 Ca 0.00 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 3f8r s VAL 123 Cb 0.00 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 3f8r s VAL 123 CO 0.00 -0.81 0.28 -0.54 -0.31 0.00 0.00 175.10 173.72 3f8r s LYS 124 N -3.95 4.12 0.16 4.82 3.01 -0.98 -4.92 119.74 121.99 3f8r s LYS 124 Ca 0.13 0.10 -0.31 0.00 -1.01 0.00 0.00 55.97 54.88 3f8r s LYS 124 Cb 0.08 -3.37 -0.08 0.00 -1.01 0.00 0.00 37.83 33.44 3f8r s LYS 124 CO -0.06 0.36 1.35 0.50 0.51 0.00 0.00 175.35 178.01 3f8r s ARG 125 N 0.10 4.35 0.28 1.68 3.52 -1.26 -1.14 118.95 126.48 3f8r s ARG 125 Ca 0.17 2.06 -0.29 0.00 -0.13 0.00 0.00 55.73 57.54 3f8r s ARG 125 Cb -0.13 -3.22 -0.10 0.00 -1.56 0.00 0.00 34.95 29.94 3f8r s ARG 125 CO 0.05 -0.34 1.14 1.03 -0.81 0.00 0.00 175.30 176.37 3f8r s ARG 126 N 0.46 4.58 -0.05 5.12 0.52 -1.11 -4.88 118.95 123.58 3f8r s ARG 126 Ca 0.60 1.88 -0.10 0.00 -0.52 0.00 0.00 55.73 57.59 3f8r s ARG 126 Cb -0.37 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 3f8r s ARG 126 CO 0.34 0.12 0.27 0.15 0.02 0.00 0.00 175.30 176.21 3f8r s LYS 127 N -1.41 3.67 -0.07 3.54 1.02 -1.26 -4.92 119.74 120.31 3f8r s LYS 127 Ca 0.46 0.12 -0.19 0.00 0.02 0.00 0.00 55.97 56.38 3f8r s LYS 127 Cb -0.33 -3.19 -0.30 0.00 -0.52 0.00 0.00 37.83 33.49 3f8r s LYS 127 CO 0.43 0.73 0.74 1.25 -0.92 0.00 0.00 175.35 177.58 3f8r h LEU 128 N 4.76 0.45 -2.64 3.17 5.85 -2.01 -3.50 115.31 121.40 3f8r h LEU 128 Ca -0.53 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.29 3f8r h LEU 128 Cb 1.22 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3f8r h LEU 128 CO 0.60 1.52 -0.11 0.61 -0.34 0.00 0.00 178.44 180.72 3f8r n GLY 129 N 1.70 -0.91 3.31 3.75 0.00 -1.26 -5.09 105.19 106.71 3f8r n GLY 129 Ca -0.19 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3f8r n GLY 129 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f8r s VAL 130 N -2.53 0.03 0.44 1.61 -7.23 -1.26 -5.11 120.40 106.34 3f8r s VAL 130 Ca 0.06 -0.25 -0.24 0.00 -1.81 0.00 0.00 61.98 59.74 3f8r s VAL 130 Cb -0.02 -0.67 -0.10 0.00 0.56 0.00 0.00 36.38 36.15 3f8r s VAL 130 CO 0.41 -0.14 1.01 -2.65 -0.31 0.00 0.00 175.10 173.42 3f8r n PRO 131 N 1.71 1.32 0.00 4.82 -0.02 -1.26 -2.30 135.00 139.27 3f8r n PRO 131 Ca -0.19 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3f8r n PRO 131 Cb 0.56 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3f8r n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f8r n GLY 132 N 1.19 3.04 0.36 -1.23 0.00 -1.26 -2.31 105.19 104.98 3f8r n GLY 132 Ca 0.10 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3f8r n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3f8r h GLU 133 N 0.00 0.87 0.11 1.61 4.81 -1.74 0.31 114.58 120.56 3f8r h GLU 133 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3f8r h GLU 133 Cb 0.00 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3f8r h GLU 133 CO 0.00 0.58 -0.05 1.96 -0.73 0.00 0.00 179.01 180.76 3f8r h GLN 134 N 0.90 -0.14 -0.92 1.92 4.20 -1.90 -3.18 115.11 115.99 3f8r h GLN 134 Ca 0.53 0.01 0.26 0.00 0.06 0.00 0.00 58.65 59.50 3f8r h GLN 134 Cb 0.66 0.03 -0.16 0.00 0.30 0.00 0.00 27.48 28.31 3f8r h GLN 134 CO -0.31 -0.01 0.16 1.49 -0.67 0.00 0.00 178.83 179.50 3f8r h GLU 135 N -1.03 0.10 -0.56 1.46 4.81 -1.87 -1.41 114.58 116.08 3f8r h GLU 135 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3f8r h GLU 135 Cb 0.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3f8r h GLU 135 CO 0.02 0.07 0.00 1.19 -0.73 0.00 0.00 179.01 179.56 3f8r n PHE 136 N -5.34 1.97 -1.82 0.92 3.72 0.11 -4.91 117.46 112.11 3f8r n PHE 136 Ca 0.23 -0.73 -0.38 0.00 -0.05 0.00 0.00 57.45 56.52 3f8r n PHE 136 Cb 0.74 -0.48 0.04 0.00 -0.94 0.00 0.00 39.48 38.84 3f8r n PHE 136 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3f8r s ALA 137 N -2.70 2.71 -0.50 4.37 0.00 -0.53 -1.08 121.76 124.01 3f8r s ALA 137 Ca 0.54 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3f8r s ALA 137 Cb 0.41 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3f8r s ALA 137 CO 0.16 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.97 3f8r n GLY 138 N 0.73 0.45 1.13 0.00 0.00 -1.24 -4.70 105.19 101.56 3f8r n GLY 138 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3f8r n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f8r n ARG 139 N -0.24 0.73 0.00 1.61 1.74 -0.24 -4.85 116.66 115.40 3f8r n ARG 139 Ca -0.05 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 3f8r n ARG 139 Cb 0.37 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.08 3f8r n ARG 139 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f8r n GLY 140 N -0.21 0.16 3.50 -0.13 0.00 -1.22 -1.18 105.19 106.10 3f8r n GLY 140 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3f8r n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8r s ILE 141 N -0.58 3.55 0.01 -0.61 1.01 -1.20 -1.17 121.20 122.22 3f8r s ILE 141 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 3f8r s ILE 141 Cb 0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3f8r s ILE 141 CO 0.00 0.55 0.03 -0.55 0.00 0.00 0.00 174.94 174.97 3f8r s SER 142 N -0.25 0.14 -0.09 3.58 0.15 -0.58 -3.66 113.70 113.01 3f8r s SER 142 Ca 0.03 -0.34 0.13 0.00 0.70 0.00 0.00 55.95 56.46 3f8r s SER 142 Cb -0.13 0.13 0.35 0.00 -1.71 0.00 0.00 66.02 64.66 3f8r s SER 142 CO 0.03 -0.28 1.27 -1.22 1.20 0.00 0.00 173.24 174.23 3f8r n TYR 143 N 1.74 0.52 -3.47 3.44 4.01 -1.26 -1.12 117.16 121.02 3f8r n TYR 143 Ca -0.22 -0.71 -0.22 0.00 -0.16 0.00 0.00 57.90 56.59 3f8r n TYR 143 Cb 0.56 -0.16 -0.12 0.00 -0.31 0.00 0.00 39.34 39.31 3f8r n TYR 143 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3f8r h SER 145 N 8.33 -0.01 -0.54 0.00 0.02 -1.91 -2.43 113.55 117.01 3f8r h SER 145 Ca -0.16 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 3f8r h SER 145 Cb 1.06 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 3f8r h SER 145 CO 0.37 0.04 0.25 -0.37 -1.14 0.00 0.00 176.83 175.98 3f8r h VAL 146 N -0.07 1.20 -0.26 2.27 -1.51 -1.92 0.13 116.25 116.10 3f8r h VAL 146 Ca -0.00 -0.59 -0.15 0.00 -1.23 0.00 0.00 66.70 64.73 3f8r h VAL 146 Cb 0.06 0.49 -0.00 0.00 -2.13 0.00 0.00 31.29 29.72 3f8r h VAL 146 CO 0.00 0.24 -0.42 0.00 -1.23 0.00 0.00 177.57 176.16 3f8r n ASP 148 N -4.17 2.07 -0.32 0.00 8.00 -0.92 -4.51 116.55 116.70 3f8r n ASP 148 Ca -0.05 -1.54 0.09 0.00 0.71 0.00 0.00 54.79 54.01 3f8r n ASP 148 Cb 0.55 0.30 0.30 0.00 -0.02 0.00 0.00 41.12 42.25 3f8r n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f8r h ALA 149 N 3.40 1.65 0.00 2.24 0.00 -0.90 0.22 119.26 125.88 3f8r h ALA 149 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3f8r h ALA 149 Cb 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3f8r h ALA 149 CO 0.00 0.11 0.00 -2.30 0.00 0.00 0.00 179.25 177.06 3f8r n PRO 150 N -4.60 0.10 -0.01 0.00 -0.02 -1.26 -1.07 135.00 128.14 3f8r n PRO 150 Ca 0.18 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.32 3f8r n PRO 150 Cb 0.40 -1.78 0.54 0.00 -0.02 0.00 0.00 33.50 32.65 3f8r n PRO 150 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3f8r n LEU 151 N -1.98 1.39 -1.31 2.45 4.77 0.78 -4.05 117.00 119.05 3f8r n LEU 151 Ca 0.00 -0.48 -0.05 0.00 -0.03 0.00 0.00 56.01 55.46 3f8r n LEU 151 Cb 0.08 -0.01 0.12 0.00 -2.33 0.00 0.00 43.42 41.28 3f8r n LEU 151 CO 0.10 0.24 0.25 0.49 -1.33 0.00 0.00 177.39 177.13 3f8r n PHE 152 N 0.09 1.01 -1.68 -1.77 3.01 -0.23 -5.02 117.46 112.86 3f8r n PHE 152 Ca 0.19 -1.69 -0.42 0.00 1.01 0.00 0.00 57.45 56.54 3f8r n PHE 152 Cb 0.33 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 3f8r n PHE 152 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3f8r s LYS 153 N -3.09 4.13 -1.31 -1.08 1.02 -1.26 -2.13 119.74 116.03 3f8r s LYS 153 Ca 0.41 2.62 -0.05 0.00 0.02 0.00 0.00 55.97 58.97 3f8r s LYS 153 Cb 0.38 -3.85 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 3f8r s LYS 153 CO -0.04 -0.90 0.70 0.09 -0.92 0.00 0.00 175.35 174.28 3f8r n ASN 154 N 6.51 -5.68 -4.36 2.83 3.02 -0.30 -4.91 115.26 112.37 3f8r n ASN 154 Ca 0.19 -0.32 -0.20 0.00 -0.03 0.00 0.00 54.58 54.21 3f8r n ASN 154 Cb 0.39 -4.44 -0.10 0.00 -0.61 0.00 0.00 39.78 35.02 3f8r n ASN 154 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3f8r s ARG 155 N -5.75 1.35 -0.07 3.52 1.81 -0.90 -4.64 118.95 114.27 3f8r s ARG 155 Ca 0.35 -1.54 -0.13 0.00 -1.72 0.00 0.00 55.73 52.69 3f8r s ARG 155 Cb -0.15 -1.29 -0.05 0.00 -0.45 0.00 0.00 34.95 33.01 3f8r s ARG 155 CO 0.43 0.24 0.33 0.08 -0.68 0.00 0.00 175.30 175.70 3f8r s VAL 156 N -2.54 5.20 0.11 3.52 1.01 -1.26 -0.65 120.40 125.79 3f8r s VAL 156 Ca 0.21 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 3f8r s VAL 156 Cb -0.03 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3f8r s VAL 156 CO 0.08 0.53 0.02 0.68 0.00 0.00 0.00 175.10 176.41 3f8r s VAL 157 N -0.60 0.20 0.04 2.92 -7.23 -0.32 -0.39 120.40 115.01 3f8r s VAL 157 Ca 0.20 -1.89 0.09 0.00 -1.81 0.00 0.00 61.98 58.57 3f8r s VAL 157 Cb -0.15 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 3f8r s VAL 157 CO 0.09 -0.63 -0.25 0.00 -0.31 0.00 0.00 175.10 174.00 3f8r s ALA 158 N -3.97 2.12 -0.09 1.32 0.00 0.37 -0.18 121.76 121.33 3f8r s ALA 158 Ca 0.19 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3f8r s ALA 158 Cb 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3f8r s ALA 158 CO -0.02 0.50 -0.20 0.08 0.00 0.00 0.00 175.76 176.12 3f8r s VAL 159 N -0.78 1.75 -0.20 0.00 1.01 0.69 0.25 120.40 123.11 3f8r s VAL 159 Ca 0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3f8r s VAL 159 Cb -0.10 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3f8r s VAL 159 CO 0.02 0.49 -0.04 -0.63 0.00 0.00 0.00 175.10 174.94 3f8r s ILE 160 N 0.43 3.54 0.00 2.22 1.01 0.27 0.05 121.20 128.72 3f8r s ILE 160 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3f8r s ILE 160 Cb -0.17 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.70 3f8r s ILE 160 CO 0.07 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3f8r n GLY 161 N 4.44 3.92 0.42 6.18 0.00 -0.39 -0.25 105.19 119.50 3f8r n GLY 161 Ca -0.18 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.26 3f8r n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f8r n GLY 162 N -1.97 1.55 0.00 -0.02 0.00 -1.26 -4.51 105.19 98.98 3f8r n GLY 162 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3f8r n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f8r n GLY 163 N -0.33 3.41 0.23 -0.02 0.00 -1.26 -1.09 105.19 106.12 3f8r n GLY 163 Ca 0.04 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3f8r n GLY 163 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f8r h ASP 164 N 0.00 -0.17 -0.83 1.61 3.32 -1.91 -1.47 116.42 116.96 3f8r h ASP 164 Ca 0.00 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3f8r h ASP 164 Cb 0.00 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3f8r h ASP 164 CO 0.00 -0.07 0.40 0.28 -1.72 0.00 0.00 179.24 178.13 3f8r h SER 165 N 0.16 1.09 0.07 6.45 0.02 -1.95 -0.05 113.55 119.34 3f8r h SER 165 Ca 0.31 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3f8r h SER 165 Cb 0.48 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3f8r h SER 165 CO -0.47 0.92 -0.04 0.00 -1.14 0.00 0.00 176.83 176.11 3f8r h ALA 166 N 1.21 -0.10 -0.40 3.77 0.00 -1.57 0.59 119.26 122.76 3f8r h ALA 166 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3f8r h ALA 166 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3f8r h ALA 166 CO -0.04 -0.38 0.21 -0.07 0.00 0.00 0.00 179.25 178.97 3f8r h LEU 167 N -0.45 0.51 -0.91 0.00 -0.00 -1.24 0.13 115.31 113.34 3f8r h LEU 167 Ca -0.01 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.88 57.67 3f8r h LEU 167 Cb 0.39 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 3f8r h LEU 167 CO 0.02 0.47 -0.21 -0.08 -0.00 0.00 0.00 178.44 178.63 3f8r h GLU 168 N 0.51 0.56 0.32 1.13 4.81 -1.03 -0.96 114.58 119.90 3f8r h GLU 168 Ca 0.14 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3f8r h GLU 168 Cb 0.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3f8r h GLU 168 CO -0.02 0.73 -0.15 0.78 -0.73 0.00 0.00 179.01 179.62 3f8r h GLY 169 N 0.99 -0.44 1.03 1.92 0.00 -0.25 -1.68 103.07 104.65 3f8r h GLY 169 Ca 0.08 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.67 3f8r h GLY 169 CO 0.05 -0.16 0.41 0.00 0.00 0.00 0.00 176.54 176.84 3f8r h ALA 170 N 0.18 1.98 0.44 3.60 0.00 -0.61 0.78 119.26 125.64 3f8r h ALA 170 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3f8r h ALA 170 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3f8r h ALA 170 CO 0.07 -0.12 -0.21 1.49 0.00 0.00 0.00 179.25 180.48 3f8r h GLU 171 N 0.45 -0.57 -0.30 0.00 4.57 -0.75 0.12 114.58 118.10 3f8r h GLU 171 Ca 0.28 0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.37 3f8r h GLU 171 Cb 0.53 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3f8r h GLU 171 CO -0.08 -0.30 -0.36 0.97 -1.18 0.00 0.00 179.01 178.05 3f8r h ILE 172 N -0.76 1.29 -0.18 2.32 2.10 -0.77 -2.86 117.51 118.64 3f8r h ILE 172 Ca -0.06 -1.52 -0.08 0.00 1.08 0.00 0.00 64.86 64.28 3f8r h ILE 172 Cb 0.54 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 3f8r h ILE 172 CO 0.10 0.49 -0.22 -0.07 -1.08 0.00 0.00 178.15 177.37 3f8r h LEU 173 N 0.57 0.32 -1.64 2.19 3.38 -0.87 -2.23 115.31 117.03 3f8r h LEU 173 Ca 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3f8r h LEU 173 Cb 0.89 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3f8r h LEU 173 CO 0.08 0.56 -0.20 0.77 0.09 0.00 0.00 178.44 179.74 3f8r h SER 174 N 0.30 0.00 0.47 -0.43 4.64 -0.52 0.26 113.55 118.27 3f8r h SER 174 Ca 0.05 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 3f8r h SER 174 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3f8r h SER 174 CO 0.04 0.20 -0.73 0.28 -0.87 0.00 0.00 176.83 175.75 3f8r h SER 175 N 0.00 0.26 0.00 4.97 0.02 -1.36 -3.37 113.55 114.08 3f8r h SER 175 Ca -0.00 -0.18 -0.25 0.00 -0.84 0.00 0.00 61.79 60.52 3f8r h SER 175 Cb 0.39 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 3f8r h SER 175 CO 0.03 0.90 -1.35 -1.22 -1.14 0.00 0.00 176.83 174.05 3f8r n TYR 176 N -3.77 0.98 -1.56 3.45 4.01 -0.88 -5.00 117.16 114.39 3f8r n TYR 176 Ca -0.03 0.42 -0.30 0.00 -0.16 0.00 0.00 57.90 57.83 3f8r n TYR 176 Cb 0.71 -1.10 0.09 0.00 -0.31 0.00 0.00 39.34 38.73 3f8r n TYR 176 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3f8r s SER 177 N -6.89 4.50 0.03 7.72 0.01 0.88 -1.15 113.70 118.79 3f8r s SER 177 Ca -0.29 1.30 -0.26 0.00 1.31 0.00 0.00 55.95 58.02 3f8r s SER 177 Cb 0.06 -2.03 -0.17 0.00 0.21 0.00 0.00 66.02 64.09 3f8r s SER 177 CO 0.59 -1.97 1.43 0.74 0.41 0.00 0.00 173.24 174.45 3f8r h THR 178 N -1.09 0.89 -2.14 1.44 2.02 -1.13 -3.42 112.91 109.48 3f8r h THR 178 Ca -0.47 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 3f8r h THR 178 Cb 1.27 1.18 -0.19 0.00 -1.74 0.00 0.00 68.15 68.67 3f8r h THR 178 CO 0.59 0.11 0.12 -0.75 0.37 0.00 0.00 175.52 175.97 3f8r s LYS 179 N -5.15 1.00 -0.15 6.66 2.20 -1.25 -4.84 119.74 118.21 3f8r s LYS 179 Ca -0.15 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.69 3f8r s LYS 179 Cb 0.03 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.83 3f8r s LYS 179 CO 0.61 -0.31 -0.21 0.08 -0.36 0.00 0.00 175.35 175.17 3f8r s VAL 180 N -1.19 2.10 -0.35 4.02 1.01 0.25 -1.18 120.40 125.06 3f8r s VAL 180 Ca -0.11 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 3f8r s VAL 180 Cb -0.01 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3f8r s VAL 180 CO 0.09 0.55 0.42 -0.31 0.00 0.00 0.00 175.10 175.84 3f8r s TYR 181 N 0.93 3.20 -0.53 5.22 2.02 0.74 -0.67 117.35 128.26 3f8r s TYR 181 Ca -0.04 0.03 -0.17 0.00 -0.37 0.00 0.00 57.07 56.52 3f8r s TYR 181 Cb -0.15 -2.76 0.09 0.00 -0.40 0.00 0.00 41.96 38.74 3f8r s TYR 181 CO -0.04 -0.48 0.56 -1.17 -1.57 0.00 0.00 175.55 172.85 3f8r s LEU 182 N 2.15 5.57 -0.22 -1.29 2.96 0.03 -0.23 118.68 127.65 3f8r s LEU 182 Ca 0.14 -1.39 -0.16 0.00 -0.22 0.00 0.00 54.13 52.50 3f8r s LEU 182 Cb -0.16 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 3f8r s LEU 182 CO 0.12 -0.89 0.41 -0.63 -1.32 0.00 0.00 176.35 174.05 3f8r s ILE 183 N 2.14 5.17 -0.01 6.68 1.01 0.11 -0.64 121.20 135.66 3f8r s ILE 183 Ca 0.08 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.45 3f8r s ILE 183 Cb -0.25 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3f8r s ILE 183 CO 0.07 0.21 -0.01 -2.28 0.00 0.00 0.00 174.94 172.93 3f8r s HIS 184 N 1.60 0.16 -1.23 3.97 2.46 -0.79 -1.27 115.29 120.19 3f8r s HIS 184 Ca 0.19 -0.01 0.21 0.00 0.47 0.00 0.00 55.06 55.93 3f8r s HIS 184 Cb -0.15 -0.16 1.00 0.00 -0.13 0.00 0.00 32.58 33.14 3f8r s HIS 184 CO 0.09 -0.03 1.69 2.89 -2.47 0.00 0.00 174.74 176.90 3f8r n ARG 185 N 3.34 0.16 -3.86 2.88 1.85 -0.40 -0.11 116.66 120.51 3f8r n ARG 185 Ca -0.16 0.11 -0.26 0.00 -1.00 0.00 0.00 57.85 56.54 3f8r n ARG 185 Cb 0.57 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.47 3f8r n ARG 185 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3f8r s ARG 186 N -2.77 2.27 0.08 2.89 1.81 -1.26 -4.18 118.95 117.78 3f8r s ARG 186 Ca 0.16 -1.99 0.14 0.00 -1.72 0.00 0.00 55.73 52.32 3f8r s ARG 186 Cb 0.14 -2.12 -0.14 0.00 -0.45 0.00 0.00 34.95 32.39 3f8r s ARG 186 CO 0.36 -0.59 0.94 0.22 -0.68 0.00 0.00 175.30 175.55 3f8r h ASP 187 N 0.77 0.00 -4.02 0.23 1.82 -1.95 0.40 116.42 113.67 3f8r h ASP 187 Ca -0.37 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 55.91 3f8r h ASP 187 Cb 1.30 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.17 3f8r h ASP 187 CO 0.57 0.72 -0.66 0.42 -1.61 0.00 0.00 179.24 178.69 3f8r s THR 188 N -2.82 0.95 0.16 2.25 -4.23 -1.26 -4.91 115.64 105.78 3f8r s THR 188 Ca -0.02 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 3f8r s THR 188 Cb 0.08 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 3f8r s THR 188 CO 0.80 -0.34 0.24 -0.36 -0.54 0.00 0.00 174.62 174.43 3f8r s PHE 189 N -3.48 3.36 -1.77 3.99 0.08 -1.26 -5.01 117.98 113.89 3f8r s PHE 189 Ca 0.28 0.05 0.21 0.00 0.12 0.00 0.00 56.93 57.59 3f8r s PHE 189 Cb 0.06 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 3f8r s PHE 189 CO 0.08 0.51 1.00 0.36 -0.10 0.00 0.00 175.22 177.07 3f8r n LYS 190 N -0.57 1.24 -1.94 0.44 0.00 -0.25 -4.96 118.16 112.11 3f8r n LYS 190 Ca -0.08 -0.83 -0.36 0.00 -0.00 0.00 0.00 58.31 57.04 3f8r n LYS 190 Cb 0.55 -1.43 0.04 0.00 -0.00 0.00 0.00 35.03 34.19 3f8r n LYS 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3f8r s ALA 191 N -2.39 2.50 0.48 0.58 0.00 -0.92 -4.76 121.76 117.24 3f8r s ALA 191 Ca 0.16 0.97 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 3f8r s ALA 191 Cb 0.16 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 3f8r s ALA 191 CO 0.56 -1.24 0.19 1.04 0.00 0.00 0.00 175.76 176.31 3f8r n GLN 192 N -1.75 0.21 -0.09 0.00 6.02 -1.26 -4.78 117.38 115.73 3f8r n GLN 192 Ca 0.13 0.08 0.01 0.00 -0.01 0.00 0.00 57.00 57.22 3f8r n GLN 192 Cb 0.50 -1.24 0.32 0.00 1.02 0.00 0.00 30.24 30.84 3f8r n GLN 192 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3f8r h PRO 193 N 0.27 0.72 -0.75 -1.09 0.11 -1.96 -2.98 132.00 126.32 3f8r h PRO 193 Ca -0.41 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3f8r h PRO 193 Cb 1.43 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3f8r h PRO 193 CO 0.46 0.53 0.30 0.97 -0.21 0.00 0.00 178.00 180.05 3f8r h ILE 194 N 0.73 1.25 -0.53 4.15 6.09 -2.00 -1.78 117.51 125.43 3f8r h ILE 194 Ca 0.19 -0.80 -0.11 0.00 -1.37 0.00 0.00 64.86 62.77 3f8r h ILE 194 Cb 0.01 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 37.66 3f8r h ILE 194 CO -0.03 0.32 -0.11 1.88 -3.07 0.00 0.00 178.15 177.14 3f8r h TYR 195 N 1.09 1.13 -0.34 2.19 0.05 -1.87 -1.29 116.97 117.93 3f8r h TYR 195 Ca 0.25 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3f8r h TYR 195 Cb 0.21 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3f8r h TYR 195 CO 0.02 1.06 0.18 0.28 -1.05 0.00 0.00 178.16 178.65 3f8r h VAL 196 N 0.88 1.14 -0.11 -2.88 2.07 -1.40 -0.98 116.25 114.96 3f8r h VAL 196 Ca 0.13 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3f8r h VAL 196 Cb 0.68 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3f8r h VAL 196 CO 0.05 0.14 0.07 -0.33 0.02 0.00 0.00 177.57 177.52 3f8r h GLU 197 N 0.42 0.15 -0.06 1.57 4.39 -1.22 0.05 114.58 119.87 3f8r h GLU 197 Ca 0.12 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3f8r h GLU 197 Cb 0.06 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3f8r h GLU 197 CO -0.02 0.12 -0.08 1.15 -1.16 0.00 0.00 179.01 179.02 3f8r h THR 198 N 0.13 0.78 -0.55 1.13 2.02 -1.09 -2.73 112.91 112.60 3f8r h THR 198 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3f8r h THR 198 Cb 0.00 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3f8r h THR 198 CO -0.01 0.00 0.22 0.58 0.37 0.00 0.00 175.52 176.68 3f8r h VAL 199 N -0.11 1.20 -0.06 3.16 2.07 -1.02 -2.55 116.25 118.94 3f8r h VAL 199 Ca 0.05 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3f8r h VAL 199 Cb 0.18 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3f8r h VAL 199 CO -0.13 0.25 -0.03 0.50 0.02 0.00 0.00 177.57 178.18 3f8r h LYS 200 N 0.78 0.08 -0.03 1.57 3.64 -0.68 -1.50 116.57 120.43 3f8r h LYS 200 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3f8r h LYS 200 Cb 0.16 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3f8r h LYS 200 CO -0.02 0.11 0.00 1.63 -2.27 0.00 0.00 179.45 178.91 3f8r n LYS 201 N -4.46 1.20 -2.86 1.90 5.02 -0.96 -4.78 118.16 113.23 3f8r n LYS 201 Ca -0.02 -0.30 -0.42 0.00 -2.02 0.00 0.00 58.31 55.55 3f8r n LYS 201 Cb 0.14 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 3f8r n LYS 201 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3f8r s LYS 202 N -1.96 4.22 0.12 1.97 -0.14 -0.57 -4.93 119.74 118.46 3f8r s LYS 202 Ca 0.35 1.02 0.18 0.00 -1.36 0.00 0.00 55.97 56.16 3f8r s LYS 202 Cb 0.17 -3.63 0.76 0.00 -1.68 0.00 0.00 37.83 33.45 3f8r s LYS 202 CO 0.27 -0.49 1.55 -0.35 -0.76 0.00 0.00 175.35 175.57 3f8r n PRO 203 N 5.88 0.09 -0.43 -1.68 -0.04 -1.26 -2.44 135.00 135.12 3f8r n PRO 203 Ca 0.06 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 3f8r n PRO 203 Cb 0.48 -1.68 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 3f8r n PRO 203 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3f8r n ASN 204 N -1.85 3.84 -4.30 3.54 6.94 -1.26 -4.89 115.26 117.28 3f8r n ASN 204 Ca 0.02 -2.81 -0.35 0.00 -0.02 0.00 0.00 54.58 51.42 3f8r n ASN 204 Cb 0.18 -0.50 -0.14 0.00 -2.36 0.00 0.00 39.78 36.96 3f8r n ASN 204 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3f8r s VAL 205 N -2.46 3.44 -0.24 3.53 1.01 -1.02 -0.58 120.40 124.08 3f8r s VAL 205 Ca 0.40 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 3f8r s VAL 205 Cb 0.30 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3f8r s VAL 205 CO 0.11 0.30 0.09 -0.70 0.00 0.00 0.00 175.10 174.90 3f8r s GLU 206 N 1.46 3.78 -0.05 2.72 2.12 0.15 -4.90 118.70 123.97 3f8r s GLU 206 Ca 0.04 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 3f8r s GLU 206 Cb -0.15 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 3f8r s GLU 206 CO -0.02 -0.07 0.96 -0.06 -0.54 0.00 0.00 175.26 175.53 3f8r s PHE 207 N 1.33 3.59 -0.64 5.30 0.40 -1.26 -0.79 117.98 125.91 3f8r s PHE 207 Ca 0.05 1.60 0.00 0.00 -0.60 0.00 0.00 56.93 57.99 3f8r s PHE 207 Cb -0.15 -3.12 0.16 0.00 0.51 0.00 0.00 43.02 40.43 3f8r s PHE 207 CO 0.04 -0.10 0.44 0.08 0.70 0.00 0.00 175.22 176.39 3f8r s VAL 208 N 1.43 3.37 0.76 -0.44 1.01 0.19 -4.92 120.40 121.81 3f8r s VAL 208 Ca 0.49 -3.37 -0.09 0.00 0.00 0.00 0.00 61.98 59.01 3f8r s VAL 208 Cb -0.19 -3.22 0.08 0.00 0.00 0.00 0.00 36.38 33.05 3f8r s VAL 208 CO 0.23 -0.90 1.09 -0.76 0.00 0.00 0.00 175.10 174.76 3f8r s LEU 209 N -0.49 2.70 -1.36 3.92 1.43 -1.26 -1.88 118.68 121.73 3f8r s LEU 209 Ca 0.19 0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 53.70 3f8r s LEU 209 Cb -0.18 -3.07 0.11 0.00 0.03 0.00 0.00 46.19 43.07 3f8r s LEU 209 CO -0.05 -1.79 0.55 0.59 0.23 0.00 0.00 176.35 175.88 3f8r n ASN 210 N -3.12 -3.23 -4.24 2.29 3.02 0.13 -4.86 115.26 105.25 3f8r n ASN 210 Ca 0.09 -0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 53.92 3f8r n ASN 210 Cb 0.61 -2.69 -0.10 0.00 -0.61 0.00 0.00 39.78 36.99 3f8r n ASN 210 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3f8r s SER 211 N -2.87 1.53 0.02 6.41 0.01 0.84 -1.39 113.70 118.25 3f8r s SER 211 Ca 0.51 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 3f8r s SER 211 Cb -0.28 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 3f8r s SER 211 CO 0.63 -0.44 -0.01 0.68 0.41 0.00 0.00 173.24 174.51 3f8r s VAL 212 N -3.48 0.12 0.11 3.43 -7.23 -1.03 -1.28 120.40 111.04 3f8r s VAL 212 Ca 0.19 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 3f8r s VAL 212 Cb 0.04 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.52 3f8r s VAL 212 CO 0.01 -0.53 0.93 -0.69 -0.31 0.00 0.00 175.10 174.51 3f8r s VAL 213 N -1.68 4.52 -0.18 1.32 1.01 -1.26 -1.41 120.40 122.71 3f8r s VAL 213 Ca -0.14 2.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 3f8r s VAL 213 Cb -0.08 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 3f8r s VAL 213 CO -0.02 0.33 -0.11 0.29 0.00 0.00 0.00 175.10 175.60 3f8r n LYS 214 N 2.73 0.51 -4.26 2.72 5.02 0.51 -4.95 118.16 120.44 3f8r n LYS 214 Ca 0.01 0.47 -0.14 0.00 -2.02 0.00 0.00 58.31 56.62 3f8r n LYS 214 Cb 0.49 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 3f8r n LYS 214 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3f8r s GLU 215 N -2.41 1.32 -0.29 1.97 2.02 -1.20 -4.19 118.70 115.92 3f8r s GLU 215 Ca -0.24 -1.71 -0.01 0.00 0.02 0.00 0.00 54.97 53.04 3f8r s GLU 215 Cb 0.05 0.00 0.09 0.00 0.10 0.00 0.00 34.13 34.38 3f8r s GLU 215 CO 0.39 -0.35 0.08 0.42 0.02 0.00 0.00 175.26 175.81 3f8r s ILE 216 N -3.94 0.98 0.24 -1.63 1.01 -0.98 -0.75 121.20 116.14 3f8r s ILE 216 Ca 0.38 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3f8r s ILE 216 Cb 0.07 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3f8r s ILE 216 CO 0.13 -0.57 0.39 -0.54 0.00 0.00 0.00 174.94 174.35 3f8r s LYS 217 N 1.58 3.46 0.00 2.79 1.02 0.22 -4.37 119.74 124.44 3f8r s LYS 217 Ca 0.07 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.49 3f8r s LYS 217 Cb -0.17 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3f8r s LYS 217 CO -0.21 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 3f8r n GLY 218 N -1.22 0.48 0.00 -3.33 0.00 -1.26 0.07 105.19 99.93 3f8r n GLY 218 Ca -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3f8r n GLY 218 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f8r n ASP 219 N 0.00 0.00 0.04 1.61 5.75 -1.26 -4.85 116.55 117.85 3f8r n ASP 219 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.58 3f8r n ASP 219 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3f8r n ASP 219 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3f8r h LYS 220 N 0.00 0.69 -5.79 0.11 1.57 -2.00 -3.46 116.57 107.70 3f8r h LYS 220 Ca 0.00 -0.75 -0.59 0.00 -1.87 0.00 0.00 60.65 57.44 3f8r h LYS 220 Cb 0.00 0.21 -0.09 0.00 0.08 0.00 0.00 32.23 32.43 3f8r h LYS 220 CO 0.00 1.32 -0.50 0.14 -0.57 0.00 0.00 179.45 179.84 3f8r s VAL 221 N -3.32 2.08 0.22 0.50 -7.23 -1.26 -4.93 120.40 106.46 3f8r s VAL 221 Ca -0.10 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 3f8r s VAL 221 Cb 0.07 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 3f8r s VAL 221 CO 0.92 0.00 1.34 -0.69 -0.31 0.00 0.00 175.10 176.36 3f8r s VAL 222 N -2.66 3.05 -0.02 1.32 1.01 -0.33 -4.37 120.40 118.40 3f8r s VAL 222 Ca 0.36 0.87 0.03 0.00 0.00 0.00 0.00 61.98 63.24 3f8r s VAL 222 Cb 0.04 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3f8r s VAL 222 CO 0.20 0.13 0.03 0.29 0.00 0.00 0.00 175.10 175.75 3f8r n LYS 223 N 2.49 2.03 -3.66 2.72 4.76 0.11 -4.45 118.16 122.17 3f8r n LYS 223 Ca 0.06 -0.01 -0.03 0.00 -2.87 0.00 0.00 58.31 55.46 3f8r n LYS 223 Cb 0.42 -1.07 -0.01 0.00 -1.84 0.00 0.00 35.03 32.53 3f8r n LYS 223 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3f8r s GLN 224 N -2.12 0.79 -0.05 1.97 -2.07 0.11 -0.91 119.66 117.38 3f8r s GLN 224 Ca -0.01 -0.41 0.02 0.00 -1.82 0.00 0.00 55.36 53.14 3f8r s GLN 224 Cb 0.01 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.24 3f8r s GLN 224 CO 0.11 -0.36 -0.09 0.14 -1.32 0.00 0.00 175.29 173.77 3f8r s VAL 225 N -2.90 0.88 -0.23 3.63 -7.23 -0.37 0.69 120.40 114.87 3f8r s VAL 225 Ca 0.11 -0.34 -0.20 0.00 -1.81 0.00 0.00 61.98 59.75 3f8r s VAL 225 Cb 0.01 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 3f8r s VAL 225 CO -0.02 0.29 0.60 -0.69 -0.31 0.00 0.00 175.10 174.98 3f8r s VAL 226 N 0.67 5.02 0.36 1.32 1.01 0.07 -1.36 120.40 127.50 3f8r s VAL 226 Ca -0.12 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.03 3f8r s VAL 226 Cb -0.14 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3f8r s VAL 226 CO 0.02 0.08 0.41 -0.69 0.00 0.00 0.00 175.10 174.91 3f8r s VAL 227 N 2.21 3.43 -0.18 2.92 1.01 -0.52 0.19 120.40 129.47 3f8r s VAL 227 Ca 0.26 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3f8r s VAL 227 Cb -0.16 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.12 3f8r s VAL 227 CO 0.09 -0.11 0.40 -0.70 0.00 0.00 0.00 175.10 174.79 3f8r s GLU 228 N -4.13 0.33 -0.24 2.72 2.12 -0.50 -3.26 118.70 115.75 3f8r s GLU 228 Ca 0.46 0.92 -0.29 0.00 0.36 0.00 0.00 54.97 56.41 3f8r s GLU 228 Cb -0.07 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.49 3f8r s GLU 228 CO 0.29 -0.22 1.12 1.21 -0.54 0.00 0.00 175.26 177.13 3f8r s ASN 229 N 2.13 6.99 0.24 -1.70 3.84 -0.35 -2.45 114.94 123.64 3f8r s ASN 229 Ca -0.04 1.38 -0.07 0.00 0.21 0.00 0.00 52.86 54.33 3f8r s ASN 229 Cb -0.11 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.28 3f8r s ASN 229 CO -0.12 -0.77 1.89 -0.07 -2.79 0.00 0.00 177.10 175.24 3f8r h LEU 230 N 9.76 1.10 0.00 3.21 3.38 -1.56 0.27 115.31 131.47 3f8r h LEU 230 Ca -0.22 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3f8r h LEU 230 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3f8r h LEU 230 CO 0.99 0.83 0.00 0.29 0.09 0.00 0.00 178.44 180.64 3f8r n LYS 231 N -4.39 0.00 -0.06 1.13 5.02 -1.26 -4.33 118.16 114.27 3f8r n LYS 231 Ca 0.10 0.48 -0.14 0.00 -2.02 0.00 0.00 58.31 56.73 3f8r n LYS 231 Cb 0.04 -1.10 -0.09 0.00 -0.02 0.00 0.00 35.03 33.86 3f8r n LYS 231 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3f8r h THR 232 N 0.00 0.02 0.00 -0.18 2.02 -1.93 -3.45 112.91 109.40 3f8r h THR 232 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3f8r h THR 232 Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3f8r h THR 232 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3f8r n GLY 233 N -1.42 0.69 3.55 2.16 0.00 0.95 -5.02 105.19 106.10 3f8r n GLY 233 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3f8r n GLY 233 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3f8r n GLU 234 N -1.09 1.03 -3.68 1.61 2.13 -1.25 -4.63 120.64 114.76 3f8r n GLU 234 Ca 0.00 0.37 -0.29 0.00 0.66 0.00 0.00 57.16 57.90 3f8r n GLU 234 Cb 0.00 -1.86 -0.15 0.00 0.27 0.00 0.00 31.44 29.70 3f8r n GLU 234 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3f8r s ILE 235 N -1.36 0.53 0.11 6.31 -1.09 -1.26 -1.21 121.20 123.24 3f8r s ILE 235 Ca 0.64 -1.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.10 3f8r s ILE 235 Cb -0.57 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 3f8r s ILE 235 CO 0.56 -0.59 -0.15 -1.59 -1.23 0.00 0.00 174.94 171.94 3f8r s LYS 236 N 1.80 1.91 -0.21 2.79 -2.85 -1.20 -4.97 119.74 117.01 3f8r s LYS 236 Ca 0.07 -1.13 -0.08 0.00 -1.00 0.00 0.00 55.97 53.84 3f8r s LYS 236 Cb -0.17 -2.18 -0.04 0.00 -2.06 0.00 0.00 37.83 33.38 3f8r s LYS 236 CO -0.25 0.49 0.07 -1.21 0.10 0.00 0.00 175.35 174.55 3f8r s GLU 237 N -2.18 3.89 -0.29 1.78 2.02 -1.26 -1.43 118.70 121.23 3f8r s GLU 237 Ca 0.19 -0.38 -0.07 0.00 0.02 0.00 0.00 54.97 54.73 3f8r s GLU 237 Cb -0.11 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.85 3f8r s GLU 237 CO 0.11 0.12 0.09 -0.51 0.02 0.00 0.00 175.26 175.10 3f8r s LEU 238 N 0.78 3.78 -0.21 1.80 1.43 -0.46 -4.94 118.68 120.86 3f8r s LEU 238 Ca 0.04 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 3f8r s LEU 238 Cb -0.13 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3f8r s LEU 238 CO 0.02 -0.16 1.65 0.20 0.23 0.00 0.00 176.35 178.30 3f8r s ASN 239 N 1.55 6.35 0.01 2.29 0.01 -1.26 -1.24 114.94 122.65 3f8r s ASN 239 Ca 0.04 1.67 -0.01 0.00 -0.71 0.00 0.00 52.86 53.85 3f8r s ASN 239 Cb -0.17 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 3f8r s ASN 239 CO 0.03 -1.27 -0.00 0.68 -1.51 0.00 0.00 177.10 175.02 3f8r s VAL 240 N 5.28 0.08 0.01 1.60 -7.23 -0.08 -4.87 120.40 115.18 3f8r s VAL 240 Ca 0.73 -0.65 0.10 0.00 -1.81 0.00 0.00 61.98 60.35 3f8r s VAL 240 Cb -0.26 -0.22 -0.22 0.00 0.56 0.00 0.00 36.38 36.24 3f8r s VAL 240 CO 0.30 -0.36 0.86 0.78 -0.31 0.00 0.00 175.10 176.37 3f8r h ASN 241 N 5.00 0.01 -4.68 4.85 2.35 -0.94 -3.26 115.58 118.91 3f8r h ASN 241 Ca -0.30 -0.02 -0.30 0.00 -0.55 0.00 0.00 56.30 55.14 3f8r h ASN 241 Cb 1.21 -0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.37 3f8r h ASN 241 CO 0.43 1.01 -0.74 -0.83 -1.65 0.00 0.00 177.43 175.65 3f8r s GLY 242 N -4.98 0.61 -0.14 2.83 0.00 -1.10 -4.60 107.32 99.95 3f8r s GLY 242 Ca -0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 3f8r s GLY 242 CO 0.82 -0.92 -0.00 0.14 0.00 0.00 0.00 173.10 173.14 3f8r s VAL 243 N -1.54 0.61 -0.32 1.40 1.01 -0.31 -0.48 120.40 120.77 3f8r s VAL 243 Ca -0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3f8r s VAL 243 Cb -0.09 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3f8r s VAL 243 CO 0.00 0.07 0.11 -0.36 0.00 0.00 0.00 175.10 174.93 3f8r s PHE 244 N 1.85 3.20 -0.46 5.22 0.40 0.14 -1.52 117.98 126.80 3f8r s PHE 244 Ca 0.02 -1.15 -0.23 0.00 -0.60 0.00 0.00 56.93 54.97 3f8r s PHE 244 Cb -0.15 -2.29 0.03 0.00 0.51 0.00 0.00 43.02 41.13 3f8r s PHE 244 CO -0.07 -0.65 0.78 0.42 0.70 0.00 0.00 175.22 176.41 3f8r s ILE 245 N 1.47 4.64 -0.55 0.64 1.01 -0.28 -0.57 121.20 127.56 3f8r s ILE 245 Ca 0.01 0.35 0.06 0.00 0.00 0.00 0.00 60.65 61.07 3f8r s ILE 245 Cb -0.18 -4.34 0.31 0.00 0.01 0.00 0.00 42.46 38.27 3f8r s ILE 245 CO 0.03 -0.76 0.85 -0.62 0.00 0.00 0.00 174.94 174.44 3f8r n GLU 246 N 6.74 2.62 -0.76 2.79 -0.58 0.66 -4.52 120.64 127.59 3f8r n GLU 246 Ca 0.02 -4.52 0.03 0.00 -0.42 0.00 0.00 57.16 52.26 3f8r n GLU 246 Cb 0.48 -2.11 0.31 0.00 -0.57 0.00 0.00 31.44 29.54 3f8r n GLU 246 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3f8r n ILE 247 N 0.18 2.62 -1.26 -3.67 -5.35 -1.24 -4.16 119.36 106.47 3f8r n ILE 247 Ca 0.29 -1.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.00 3f8r n ILE 247 Cb 0.44 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 3f8r n ILE 247 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f8r n GLY 248 N -0.18 -2.42 3.22 3.28 0.00 -1.26 -4.84 105.19 102.99 3f8r n GLY 248 Ca 0.30 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 3f8r n GLY 248 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f8r s PHE 249 N -0.61 1.14 -0.34 1.61 0.40 -1.26 -2.76 117.98 116.15 3f8r s PHE 249 Ca 0.00 -0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 55.27 3f8r s PHE 249 Cb 0.00 -0.64 0.03 0.00 0.51 0.00 0.00 43.02 42.91 3f8r s PHE 249 CO 0.00 -0.18 0.14 -0.51 0.70 0.00 0.00 175.22 175.37 3f8r s ASP 250 N -3.14 5.44 0.75 1.36 1.01 -0.29 -4.91 116.67 116.88 3f8r s ASP 250 Ca 0.21 -0.97 -0.11 0.00 0.71 0.00 0.00 52.55 52.39 3f8r s ASP 250 Cb 0.06 -1.93 0.04 0.00 1.01 0.00 0.00 42.92 42.10 3f8r s ASP 250 CO 0.02 -0.31 1.09 -2.16 0.21 0.00 0.00 175.17 174.01 3f8r s PRO 251 N 1.49 2.43 -1.19 8.23 0.04 -1.26 -2.33 135.00 142.41 3f8r s PRO 251 Ca 0.01 1.14 -0.09 0.00 0.04 0.00 0.00 61.00 62.10 3f8r s PRO 251 Cb -0.19 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 3f8r s PRO 251 CO 0.04 -1.51 3.10 -0.35 0.04 0.00 0.00 177.00 178.33 3f8r n PRO 252 N -3.38 3.31 -0.10 0.56 -0.04 -1.26 -4.64 135.00 129.45 3f8r n PRO 252 Ca 0.09 -1.97 -0.10 0.00 -0.04 0.00 0.00 63.50 61.48 3f8r n PRO 252 Cb 0.53 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.39 3f8r n PRO 252 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3f8r h THR 253 N 2.71 1.18 0.05 0.52 2.02 -1.90 -1.50 112.91 115.99 3f8r h THR 253 Ca 0.69 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 67.34 3f8r h THR 253 Cb 0.60 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3f8r h THR 253 CO 1.37 0.19 -0.13 0.44 0.37 0.00 0.00 175.52 177.76 3f8r h ASP 254 N 0.36 -0.36 -0.91 4.18 3.32 -1.90 0.42 116.42 121.52 3f8r h ASP 254 Ca 0.10 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.28 3f8r h ASP 254 Cb 0.18 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 3f8r h ASP 254 CO -0.01 -0.19 0.57 0.15 -1.72 0.00 0.00 179.24 178.04 3f8r h PHE 255 N -0.24 1.04 0.05 4.55 3.04 -1.91 1.12 116.94 124.58 3f8r h PHE 255 Ca 0.03 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 3f8r h PHE 255 Cb 0.27 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.45 3f8r h PHE 255 CO -0.16 0.50 -0.02 0.00 -2.02 0.00 0.00 178.31 176.61 3f8r h ALA 256 N 1.44 -0.06 -0.37 2.41 0.00 -0.62 -1.97 119.26 120.10 3f8r h ALA 256 Ca 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3f8r h ALA 256 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3f8r h ALA 256 CO -0.20 -0.45 0.19 0.87 0.00 0.00 0.00 179.25 179.67 3f8r h LYS 257 N -0.24 0.52 0.00 0.00 1.57 0.49 0.26 116.57 119.17 3f8r h LYS 257 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3f8r h LYS 257 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3f8r h LYS 257 CO 0.01 0.44 0.00 1.03 -0.57 0.00 0.00 179.45 180.36 3f8r h SER 258 N 0.46 0.00 -0.07 0.86 0.87 0.14 -2.07 113.55 113.74 3f8r h SER 258 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3f8r h SER 258 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3f8r h SER 258 CO -0.02 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.87 3f8r n ASN 259 N -2.54 2.63 -2.57 6.23 3.02 -0.75 -4.95 115.26 116.34 3f8r n ASN 259 Ca -0.01 -2.86 -0.20 0.00 -0.03 0.00 0.00 54.58 51.48 3f8r n ASN 259 Cb 0.09 -0.38 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 3f8r n ASN 259 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f8r n GLY 260 N -1.02 -0.41 3.61 7.41 0.00 -0.76 -4.96 105.19 109.06 3f8r n GLY 260 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3f8r n GLY 260 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8r s ILE 261 N -3.07 4.52 0.39 -0.61 1.01 0.84 -4.76 121.20 119.53 3f8r s ILE 261 Ca 0.19 -0.13 -0.26 0.00 0.00 0.00 0.00 60.65 60.44 3f8r s ILE 261 Cb -0.08 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 3f8r s ILE 261 CO 0.23 0.49 1.25 -1.61 0.00 0.00 0.00 174.94 175.30 3f8r s GLU 262 N 0.19 4.05 0.27 2.79 2.02 -1.26 -4.05 118.70 122.71 3f8r s GLU 262 Ca 0.02 2.04 0.10 0.00 0.02 0.00 0.00 54.97 57.16 3f8r s GLU 262 Cb -0.13 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 3f8r s GLU 262 CO 0.01 -0.39 -0.07 0.95 0.02 0.00 0.00 175.26 175.78 3f8r s THR 263 N -1.30 3.10 0.40 3.63 -4.23 -1.26 -1.50 115.64 114.48 3f8r s THR 263 Ca 0.56 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 3f8r s THR 263 Cb -0.36 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 70.92 3f8r s THR 263 CO 0.45 -0.38 0.55 -0.90 -0.54 0.00 0.00 174.62 173.81 3f8r n ASP 264 N -0.80 0.36 0.31 3.99 5.68 0.11 -4.71 116.55 121.48 3f8r n ASP 264 Ca -0.06 -1.39 0.19 0.00 -0.50 0.00 0.00 54.79 53.03 3f8r n ASP 264 Cb 0.59 -0.39 1.03 0.00 -1.14 0.00 0.00 41.12 41.22 3f8r n ASP 264 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3f8r h THR 265 N -0.91 0.00 -0.32 2.12 2.02 -2.01 -1.37 112.91 112.43 3f8r h THR 265 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3f8r h THR 265 Cb 0.57 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3f8r h THR 265 CO 0.16 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.64 3f8r n ASN 266 N -2.89 3.05 0.00 4.18 3.02 -1.26 -4.97 115.26 116.39 3f8r n ASN 266 Ca -0.03 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 3f8r n ASN 266 Cb 0.13 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3f8r n ASN 266 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f8r n GLY 267 N 1.08 0.85 3.88 7.41 0.00 -0.52 -4.85 105.19 113.05 3f8r n GLY 267 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3f8r n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f8r s TYR 268 N -3.37 3.52 -0.02 1.61 1.51 -1.26 -3.47 117.35 115.87 3f8r s TYR 268 Ca 0.00 1.02 -0.30 0.00 -1.01 0.00 0.00 57.07 56.78 3f8r s TYR 268 Cb 0.00 -2.45 -0.06 0.00 -0.11 0.00 0.00 41.96 39.34 3f8r s TYR 268 CO 0.00 -0.26 1.59 0.42 -1.11 0.00 0.00 175.55 176.19 3f8r s ILE 269 N -2.62 3.50 -0.00 2.71 1.01 0.29 0.06 121.20 126.14 3f8r s ILE 269 Ca 0.51 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.61 3f8r s ILE 269 Cb -0.10 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3f8r s ILE 269 CO 0.39 -0.04 1.23 -0.75 0.00 0.00 0.00 174.94 175.77 3f8r s LYS 270 N 3.36 4.37 0.09 2.79 2.47 -0.56 -0.76 119.74 131.50 3f8r s LYS 270 Ca 0.71 1.75 0.03 0.00 -1.56 0.00 0.00 55.97 56.90 3f8r s LYS 270 Cb -0.34 -3.48 -0.04 0.00 -1.46 0.00 0.00 37.83 32.51 3f8r s LYS 270 CO 0.29 -0.39 -0.09 0.14 0.16 0.00 0.00 175.35 175.46 3f8r s VAL 271 N 1.81 0.84 0.26 4.02 -7.23 -1.26 -4.17 120.40 114.66 3f8r s VAL 271 Ca 0.58 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 3f8r s VAL 271 Cb -0.27 -1.33 0.05 0.00 0.56 0.00 0.00 36.38 35.39 3f8r s VAL 271 CO 0.25 -0.60 0.36 -0.90 -0.31 0.00 0.00 175.10 173.90 3f8r n ASP 272 N 0.55 0.61 -0.35 4.85 5.75 -0.99 -4.79 116.55 122.18 3f8r n ASP 272 Ca -0.16 -1.49 0.10 0.00 -0.01 0.00 0.00 54.79 53.23 3f8r n ASP 272 Cb 0.58 -0.22 0.28 0.00 -1.03 0.00 0.00 41.12 40.74 3f8r n ASP 272 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3f8r h GLU 273 N 0.00 0.86 -0.85 0.11 4.81 -2.02 -1.68 114.58 115.81 3f8r h GLU 273 Ca -0.12 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3f8r h GLU 273 Cb 0.47 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3f8r h GLU 273 CO 0.14 0.57 0.06 0.91 -0.73 0.00 0.00 179.01 179.95 3f8r n TRP 274 N -4.67 1.02 -2.04 0.92 7.02 -1.26 -4.89 117.44 113.53 3f8r n TRP 274 Ca 0.20 -0.47 -0.18 0.00 -1.02 0.00 0.00 57.50 56.04 3f8r n TRP 274 Cb 0.45 -0.34 -0.03 0.00 -2.42 0.00 0.00 31.31 28.97 3f8r n TRP 274 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3f8r n MET 275 N 0.18 -1.35 -3.17 -0.99 2.81 -0.63 -4.55 117.12 109.42 3f8r n MET 275 Ca 0.15 0.96 -0.39 0.00 -1.81 0.00 0.00 57.70 56.61 3f8r n MET 275 Cb 0.74 -5.36 -0.06 0.00 -0.71 0.00 0.00 33.22 27.84 3f8r n MET 275 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3f8r s ARG 276 N -4.39 4.34 0.55 0.03 0.52 -1.26 -1.52 118.95 117.21 3f8r s ARG 276 Ca 0.00 0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 55.99 3f8r s ARG 276 Cb 0.00 -3.33 0.11 0.00 0.52 0.00 0.00 34.95 32.25 3f8r s ARG 276 CO 0.00 0.39 0.75 0.25 0.02 0.00 0.00 175.30 176.71 3f8r n THR 277 N 2.61 0.00 0.30 0.02 -2.24 -0.79 -2.34 114.28 111.83 3f8r n THR 277 Ca -0.06 -1.06 0.16 0.00 -2.27 0.00 0.00 64.05 60.82 3f8r n THR 277 Cb 0.51 -1.12 0.65 0.00 -2.10 0.00 0.00 70.33 68.26 3f8r n THR 277 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3f8r h SER 278 N -0.55 0.00 -3.63 3.42 4.64 -1.86 -3.41 113.55 112.15 3f8r h SER 278 Ca -0.25 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.43 3f8r h SER 278 Cb 0.87 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.81 3f8r h SER 278 CO 0.25 0.00 -0.11 -0.69 -0.87 0.00 0.00 176.83 175.41 3f8r s VAL 279 N -3.61 5.08 0.23 0.95 1.01 -1.26 -4.99 120.40 117.81 3f8r s VAL 279 Ca 0.02 0.44 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 3f8r s VAL 279 Cb 0.09 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 3f8r s VAL 279 CO 0.52 -0.08 1.30 -2.65 0.00 0.00 0.00 175.10 174.19 3f8r n PRO 280 N 5.58 1.74 0.00 2.72 -0.02 -1.26 -0.66 135.00 143.09 3f8r n PRO 280 Ca -0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3f8r n PRO 280 Cb 0.49 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3f8r n PRO 280 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f8r n GLY 281 N 1.94 1.75 3.40 -1.23 0.00 -1.26 -5.02 105.19 104.77 3f8r n GLY 281 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3f8r n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f8r s VAL 282 N -2.54 3.39 0.29 1.61 1.01 0.16 -1.41 120.40 122.90 3f8r s VAL 282 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3f8r s VAL 282 Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3f8r s VAL 282 CO 0.00 0.49 -0.05 -0.36 0.00 0.00 0.00 175.10 175.19 3f8r s PHE 283 N 0.58 2.00 0.07 5.22 0.40 0.56 -1.89 117.98 124.92 3f8r s PHE 283 Ca -0.05 -0.71 -0.08 0.00 -0.60 0.00 0.00 56.93 55.48 3f8r s PHE 283 Cb -0.15 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.21 3f8r s PHE 283 CO 0.03 0.27 0.16 0.00 0.70 0.00 0.00 175.22 176.39 3f8r s ALA 284 N -3.01 -0.17 0.00 5.36 0.00 -0.58 0.20 121.76 123.57 3f8r s ALA 284 Ca 0.31 -0.61 -0.22 0.00 0.00 0.00 0.00 51.96 51.43 3f8r s ALA 284 Cb 0.04 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.63 3f8r s ALA 284 CO 0.13 -0.46 0.50 0.00 0.00 0.00 0.00 175.76 175.93 3f8r s ALA 285 N -3.57 -1.27 0.00 0.00 0.00 -0.04 -4.72 121.76 112.17 3f8r s ALA 285 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3f8r s ALA 285 Cb 0.04 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3f8r s ALA 285 CO -0.09 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3f8r n GLY 286 N 0.78 -1.86 0.55 0.00 0.00 -1.26 -4.30 105.19 99.11 3f8r n GLY 286 Ca -0.19 -1.72 0.36 0.00 0.00 0.00 0.00 46.02 44.47 3f8r n GLY 286 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f8r h ASP 287 N 0.00 0.00 1.05 1.61 5.19 -1.93 -1.10 116.42 121.24 3f8r h ASP 287 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3f8r h ASP 287 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3f8r h ASP 287 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3f8r s THR 289 N -3.27 3.27 -0.72 0.00 -4.23 -0.42 -0.55 115.64 109.72 3f8r s THR 289 Ca 0.06 -0.43 0.26 0.00 -1.18 0.00 0.00 61.69 60.40 3f8r s THR 289 Cb 0.10 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.96 3f8r s THR 289 CO 0.48 -0.20 1.74 -1.54 -0.54 0.00 0.00 174.62 174.56 3f8r n SER 290 N -2.36 0.84 -4.72 3.99 3.41 0.06 -4.68 113.62 110.15 3f8r n SER 290 Ca 0.05 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 3f8r n SER 290 Cb 0.59 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3f8r n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f8r s ALA 291 N -3.11 3.48 -1.48 7.33 0.00 -1.26 -3.25 121.76 123.47 3f8r s ALA 291 Ca 0.10 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 3f8r s ALA 291 Cb 0.12 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.82 3f8r s ALA 291 CO 0.61 -0.48 0.67 0.91 0.00 0.00 0.00 175.76 177.46 3f8r n TRP 292 N 3.33 -1.85 -1.68 0.00 8.01 -1.26 -4.83 117.44 119.16 3f8r n TRP 292 Ca 0.08 0.81 -0.45 0.00 -1.31 0.00 0.00 57.50 56.63 3f8r n TRP 292 Cb 0.44 -3.75 -0.04 0.00 -2.01 0.00 0.00 31.31 25.95 3f8r n TRP 292 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 3f8r n LEU 293 N -4.44 3.33 0.00 -0.99 -0.00 -1.20 -2.14 117.00 111.56 3f8r n LEU 293 Ca -0.15 1.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.92 3f8r n LEU 293 Cb 0.61 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.57 3f8r n LEU 293 CO 0.76 -0.17 0.00 0.61 -0.00 0.00 0.00 177.39 178.60 3f8r n GLY 294 N 3.62 3.01 3.56 -3.96 0.00 -1.26 -4.98 105.19 105.18 3f8r n GLY 294 Ca 0.17 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3f8r n GLY 294 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f8r s PHE 295 N -0.31 2.14 -0.89 1.61 5.36 -0.91 -4.91 117.98 120.07 3f8r s PHE 295 Ca 0.00 -0.04 -0.13 0.00 -0.96 0.00 0.00 56.93 55.80 3f8r s PHE 295 Cb 0.00 -4.36 0.23 0.00 -0.34 0.00 0.00 43.02 38.55 3f8r s PHE 295 CO 0.00 -1.87 0.85 1.03 -1.46 0.00 0.00 175.22 173.77 3f8r s ARG 296 N 6.06 3.74 0.16 10.12 0.52 -1.26 -4.97 118.95 133.31 3f8r s ARG 296 Ca 0.58 -2.62 0.10 0.00 -0.52 0.00 0.00 55.73 53.27 3f8r s ARG 296 Cb -0.04 -4.47 -0.04 0.00 0.52 0.00 0.00 34.95 30.92 3f8r s ARG 296 CO -0.03 -1.29 -0.22 -0.65 0.02 0.00 0.00 175.30 173.13 3f8r s GLN 297 N -0.10 1.34 0.12 3.54 -1.52 -1.26 -5.05 119.66 116.73 3f8r s GLN 297 Ca 0.21 -1.39 -0.17 0.00 -1.95 0.00 0.00 55.36 52.06 3f8r s GLN 297 Cb -0.10 -1.58 -0.03 0.00 -0.22 0.00 0.00 33.01 31.08 3f8r s GLN 297 CO -0.09 0.35 1.66 0.28 -0.25 0.00 0.00 175.29 177.24 3f8r h VAL 298 N 3.47 1.19 -0.64 1.09 2.07 -1.95 -2.72 116.25 118.75 3f8r h VAL 298 Ca -0.45 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3f8r h VAL 298 Cb 1.20 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3f8r h VAL 298 CO 0.46 0.21 0.34 -0.29 0.02 0.00 0.00 177.57 178.30 3f8r h ILE 299 N 0.39 0.93 -0.13 4.57 6.09 -1.97 -0.96 117.51 126.44 3f8r h ILE 299 Ca 0.11 -0.21 -0.17 0.00 -1.37 0.00 0.00 64.86 63.22 3f8r h ILE 299 Cb 0.20 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.74 3f8r h ILE 299 CO -0.01 0.11 -0.63 0.71 -3.07 0.00 0.00 178.15 175.26 3f8r h THR 300 N 0.62 1.35 -0.48 2.19 1.35 -1.94 -1.57 112.91 114.43 3f8r h THR 300 Ca 0.29 -1.95 -0.04 0.00 -0.55 0.00 0.00 66.41 64.16 3f8r h THR 300 Cb 0.22 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3f8r h THR 300 CO -0.20 0.60 0.15 0.00 -0.25 0.00 0.00 175.52 175.82 3f8r h ALA 301 N 0.98 0.63 -0.47 6.62 0.00 -1.15 0.54 119.26 126.41 3f8r h ALA 301 Ca -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3f8r h ALA 301 Cb 1.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3f8r h ALA 301 CO 0.11 0.28 -0.05 0.28 0.00 0.00 0.00 179.25 179.87 3f8r h VAL 302 N 0.64 1.25 -0.41 0.00 2.07 -1.05 -0.89 116.25 117.86 3f8r h VAL 302 Ca 0.16 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 3f8r h VAL 302 Cb 0.26 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3f8r h VAL 302 CO -0.01 0.38 -0.22 0.00 0.02 0.00 0.00 177.57 177.74 3f8r h ALA 303 N 1.20 0.58 0.00 1.67 0.00 -0.94 -2.25 119.26 119.52 3f8r h ALA 303 Ca 0.14 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3f8r h ALA 303 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3f8r h ALA 303 CO 0.03 0.56 -0.27 1.96 0.00 0.00 0.00 179.25 181.53 3f8r h GLN 304 N 0.70 0.00 -0.39 0.00 4.20 -0.56 -1.92 115.11 117.14 3f8r h GLN 304 Ca 0.09 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3f8r h GLN 304 Cb 0.79 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 3f8r h GLN 304 CO 0.07 0.27 0.11 0.78 -0.67 0.00 0.00 178.83 179.38 3f8r h GLY 305 N 0.81 0.67 1.01 3.46 0.00 -0.68 0.59 103.07 108.94 3f8r h GLY 305 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3f8r h GLY 305 CO 0.04 0.38 0.50 0.00 0.00 0.00 0.00 176.54 177.46 3f8r h ALA 306 N 0.95 1.02 -0.29 3.60 0.00 -0.86 0.66 119.26 124.35 3f8r h ALA 306 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3f8r h ALA 306 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3f8r h ALA 306 CO -0.00 0.47 -0.12 0.28 0.00 0.00 0.00 179.25 179.88 3f8r h VAL 307 N 1.10 1.29 -0.71 0.00 2.07 -1.06 -1.10 116.25 117.85 3f8r h VAL 307 Ca 0.29 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 3f8r h VAL 307 Cb -0.07 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3f8r h VAL 307 CO -0.06 0.38 0.29 0.00 0.02 0.00 0.00 177.57 178.21 3f8r h ALA 308 N 0.76 1.18 -0.45 1.67 0.00 -0.68 -0.30 119.26 121.44 3f8r h ALA 308 Ca 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3f8r h ALA 308 Cb 0.64 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3f8r h ALA 308 CO 0.04 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 3f8r h ALA 309 N 1.29 1.12 -0.37 0.00 0.00 -0.69 -0.51 119.26 120.10 3f8r h ALA 309 Ca 0.24 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3f8r h ALA 309 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3f8r h ALA 309 CO -0.02 0.56 -0.14 1.15 0.00 0.00 0.00 179.25 180.80 3f8r h THR 310 N 0.70 1.28 -0.44 0.00 2.02 -0.49 0.16 112.91 116.14 3f8r h THR 310 Ca 0.13 -1.25 -0.13 0.00 0.77 0.00 0.00 66.41 65.93 3f8r h THR 310 Cb 0.46 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3f8r h THR 310 CO 0.02 0.41 -0.25 0.28 0.37 0.00 0.00 175.52 176.36 3f8r h SER 311 N 0.55 0.96 -1.00 4.18 0.02 -0.87 -1.54 113.55 115.85 3f8r h SER 311 Ca 0.09 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3f8r h SER 311 Cb 0.68 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 3f8r h SER 311 CO 0.05 1.15 0.66 0.00 -1.14 0.00 0.00 176.83 177.55 3f8r h ALA 312 N 0.91 1.27 -0.38 3.77 0.00 -0.93 0.02 119.26 123.91 3f8r h ALA 312 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3f8r h ALA 312 Cb 0.82 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3f8r h ALA 312 CO 0.07 0.65 0.22 -0.92 0.00 0.00 0.00 179.25 179.27 3f8r h TYR 313 N 1.35 0.52 -0.33 0.00 3.20 -0.59 -0.14 116.97 120.98 3f8r h TYR 313 Ca 0.37 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 3f8r h TYR 313 Cb -0.15 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 3f8r h TYR 313 CO -0.00 0.40 -0.24 0.00 -1.64 0.00 0.00 178.16 176.67 3f8r h ARG 314 N 0.49 0.65 -0.32 1.82 3.08 -0.89 -1.23 114.38 117.99 3f8r h ARG 314 Ca 0.14 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 3f8r h ARG 314 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3f8r h ARG 314 CO -0.02 0.83 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.65 3f8r h TYR 315 N 0.57 0.75 -0.36 3.04 5.03 -0.70 -2.31 116.97 122.99 3f8r h TYR 315 Ca 0.08 -0.18 -0.07 0.00 2.58 0.00 0.00 58.73 61.14 3f8r h TYR 315 Cb 0.72 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 3f8r h TYR 315 CO 0.03 0.86 -0.05 0.28 -1.32 0.00 0.00 178.16 177.96 3f8r h VAL 316 N 0.42 1.27 -0.64 1.81 2.07 -0.95 -2.21 116.25 118.02 3f8r h VAL 316 Ca 0.07 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3f8r h VAL 316 Cb 0.66 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3f8r h VAL 316 CO 0.04 0.36 0.31 0.71 0.02 0.00 0.00 177.57 179.01 3f8r h THR 317 N 0.47 1.20 -0.35 2.57 1.35 -1.22 -2.60 112.91 114.33 3f8r h THR 317 Ca 0.10 -0.56 -0.07 0.00 -0.55 0.00 0.00 66.41 65.32 3f8r h THR 317 Cb 0.54 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 3f8r h THR 317 CO 0.03 0.24 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.14 3f8r h GLU 318 N 0.89 0.66 0.00 4.72 5.08 -1.28 -3.51 114.58 121.14 3f8r h GLU 318 Ca 0.22 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3f8r h GLU 318 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3f8r h GLU 318 CO -0.03 0.82 0.00 1.17 -1.00 0.00 0.00 179.01 179.96