#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o3r h PRO 9 N 0.00 -0.64 0.00 0.11 0.13 -2.07 -2.77 132.00 126.76 1o3r h PRO 9 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1o3r h PRO 9 Cb 0.00 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1o3r h PRO 9 CO 0.00 -0.41 0.00 0.25 -0.23 0.00 0.00 178.00 177.61 1o3r n THR 10 N -5.37 0.53 -0.04 1.56 -2.24 -1.26 -2.83 114.28 104.64 1o3r n THR 10 Ca -0.12 0.14 -0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1o3r n THR 10 Cb 0.28 -1.14 -0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1o3r n THR 10 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1o3r h LEU 11 N 0.00 0.00 -1.91 3.22 5.85 -1.92 -2.70 115.31 117.85 1o3r h LEU 11 Ca 0.00 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.07 1o3r h LEU 11 Cb 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1o3r h LEU 11 CO 0.00 0.37 0.86 -0.33 -0.34 0.00 0.00 178.44 179.00 1o3r h GLU 12 N -0.69 0.05 0.61 1.25 3.07 -1.65 0.50 114.58 117.72 1o3r h GLU 12 Ca 0.00 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1o3r h GLU 12 Cb 0.04 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1o3r h GLU 12 CO 0.00 0.03 -0.29 2.35 -1.40 0.00 0.00 179.01 179.70 1o3r h TRP 13 N 0.05 -0.76 -0.20 4.33 7.01 -1.64 0.15 115.95 124.88 1o3r h TRP 13 Ca 0.59 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.62 1o3r h TRP 13 Cb 2.26 0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 29.53 1o3r h TRP 13 CO -0.00 -0.44 -0.07 0.35 -2.79 0.00 0.00 178.44 175.49 1o3r h PHE 14 N -1.15 -0.17 -0.81 2.65 3.57 -0.49 -1.96 116.94 118.59 1o3r h PHE 14 Ca -0.08 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.53 1o3r h PHE 14 Cb 0.67 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.44 1o3r h PHE 14 CO 0.00 -0.12 0.46 -0.07 -2.23 0.00 0.00 178.31 176.36 1o3r h LEU 15 N -0.04 0.66 -1.89 0.59 3.38 -0.15 -1.19 115.31 116.66 1o3r h LEU 15 Ca 0.10 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1o3r h LEU 15 Cb 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1o3r h LEU 15 CO -0.22 0.38 0.21 0.77 0.09 0.00 0.00 178.44 179.67 1o3r h SER 16 N 0.78 0.00 -0.34 -0.43 4.64 0.11 -1.20 113.55 117.10 1o3r h SER 16 Ca 0.39 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 1o3r h SER 16 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1o3r h SER 16 CO -0.24 0.00 0.02 1.41 -0.87 0.00 0.00 176.83 177.15 1o3r n HIS 17 N -2.67 1.19 -4.44 4.77 8.25 -0.45 -5.01 115.22 116.87 1o3r n HIS 17 Ca -0.02 -1.00 -0.25 0.00 -0.26 0.00 0.00 57.72 56.19 1o3r n HIS 17 Cb 0.26 -0.39 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 1o3r n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o3r s HIS 19 N -2.15 3.44 -0.15 0.00 3.76 0.16 -4.82 115.29 115.53 1o3r s HIS 19 Ca 0.26 0.87 -0.17 0.00 -0.15 0.00 0.00 55.06 55.88 1o3r s HIS 19 Cb -0.06 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 1o3r s HIS 19 CO 0.13 -0.00 0.41 0.42 -0.85 0.00 0.00 174.74 174.85 1o3r s ILE 20 N 1.26 5.22 0.19 0.60 -1.09 -1.26 0.64 121.20 126.77 1o3r s ILE 20 Ca 0.26 0.80 0.09 0.00 -2.23 0.00 0.00 60.65 59.57 1o3r s ILE 20 Cb -0.16 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1o3r s ILE 20 CO 0.11 0.33 -0.17 -1.00 -1.23 0.00 0.00 174.94 172.97 1o3r s HIS 21 N 0.72 1.85 0.09 3.97 3.76 0.11 -4.98 115.29 120.81 1o3r s HIS 21 Ca 0.22 -0.49 0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1o3r s HIS 21 Cb -0.14 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 1o3r s HIS 21 CO 0.08 0.39 -0.26 0.15 -0.85 0.00 0.00 174.74 174.25 1o3r s LYS 22 N -3.20 1.60 -0.05 1.40 -0.14 -1.26 -0.74 119.74 117.35 1o3r s LYS 22 Ca 0.20 -1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 53.56 1o3r s LYS 22 Cb -0.04 -1.95 0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1o3r s LYS 22 CO 0.08 0.48 0.03 0.71 -0.76 0.00 0.00 175.35 175.89 1o3r s TYR 23 N -0.96 0.29 0.72 3.18 1.51 -0.85 -4.98 117.35 116.28 1o3r s TYR 23 Ca 0.13 0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 56.15 1o3r s TYR 23 Cb -0.10 -0.57 0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1o3r s TYR 23 CO 0.05 -0.23 1.09 -1.25 -1.11 0.00 0.00 175.55 174.10 1o3r s PRO 24 N 1.94 2.56 1.00 -1.71 0.04 -1.26 -0.23 135.00 137.34 1o3r s PRO 24 Ca 0.03 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 1o3r s PRO 24 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1o3r s PRO 24 CO -0.04 -1.41 -0.02 0.45 0.04 0.00 0.00 177.00 176.02 1o3r n SER 25 N -3.09 -2.91 0.00 6.66 2.88 -1.13 -2.18 113.62 113.85 1o3r n SER 25 Ca 0.09 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1o3r n SER 25 Cb 0.53 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1o3r n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1o3r n LYS 26 N -0.78 -0.57 -2.68 -1.46 5.02 0.15 -4.92 118.16 112.92 1o3r n LYS 26 Ca 0.03 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 1o3r n LYS 26 Cb 0.57 -4.63 0.05 0.00 -0.02 0.00 0.00 35.03 31.00 1o3r n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1o3r s SER 27 N -2.01 5.17 -0.26 4.39 1.04 -0.93 -4.73 113.70 116.37 1o3r s SER 27 Ca 0.00 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 1o3r s SER 27 Cb 0.00 -0.67 -0.01 0.00 0.10 0.00 0.00 66.02 65.43 1o3r s SER 27 CO 0.00 -1.22 0.05 -0.89 0.98 0.00 0.00 173.24 172.16 1o3r s THR 28 N -2.78 4.01 -0.10 2.02 2.01 -1.26 -0.42 115.64 119.12 1o3r s THR 28 Ca 0.59 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 1o3r s THR 28 Cb -0.09 -2.94 -0.27 0.00 0.01 0.00 0.00 72.50 69.21 1o3r s THR 28 CO 0.39 0.26 0.47 -0.07 -0.69 0.00 0.00 174.62 174.97 1o3r h LEU 29 N 8.21 0.43 -8.17 4.42 4.07 -1.64 -3.47 115.31 119.18 1o3r h LEU 29 Ca -0.36 -0.90 -0.47 0.00 0.08 0.00 0.00 57.88 56.23 1o3r h LEU 29 Cb 1.15 -0.14 -0.29 0.00 1.08 0.00 0.00 40.66 42.46 1o3r h LEU 29 CO 0.59 1.78 -0.81 -0.63 -1.08 0.00 0.00 178.44 178.29 1o3r s ILE 30 N -2.54 1.03 -0.10 1.22 1.01 -1.11 -4.98 121.20 115.74 1o3r s ILE 30 Ca -0.21 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1o3r s ILE 30 Cb 0.06 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1o3r s ILE 30 CO 0.78 0.29 -0.06 -1.00 0.00 0.00 0.00 174.94 174.95 1o3r s HIS 31 N -0.28 2.98 0.48 3.97 3.76 -1.26 -1.69 115.29 123.24 1o3r s HIS 31 Ca 0.05 -0.08 -0.24 0.00 -0.15 0.00 0.00 55.06 54.63 1o3r s HIS 31 Cb -0.05 -1.79 -0.07 0.00 1.11 0.00 0.00 32.58 31.78 1o3r s HIS 31 CO -0.00 0.22 1.36 -1.14 -0.85 0.00 0.00 174.74 174.32 1o3r s GLN 32 N -0.44 3.55 0.00 1.40 -0.44 -1.21 -3.20 119.66 119.31 1o3r s GLN 32 Ca 0.07 2.25 0.00 0.00 -2.50 0.00 0.00 55.36 55.18 1o3r s GLN 32 Cb -0.12 -2.51 0.00 0.00 -1.64 0.00 0.00 33.01 28.74 1o3r s GLN 32 CO 0.02 -0.87 0.00 0.41 0.50 0.00 0.00 175.29 175.35 1o3r n GLY 33 N 0.63 2.68 3.89 2.59 0.00 0.27 -4.88 105.19 110.38 1o3r n GLY 33 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1o3r n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o3r s GLU 34 N -0.00 3.47 0.13 1.61 2.02 -1.19 -4.59 118.70 120.14 1o3r s GLU 34 Ca 0.00 0.38 -0.31 0.00 0.02 0.00 0.00 54.97 55.06 1o3r s GLU 34 Cb 0.00 -2.25 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 1o3r s GLU 34 CO 0.00 -0.42 1.71 0.21 0.02 0.00 0.00 175.26 176.79 1o3r s LYS 35 N -4.94 4.17 -0.20 1.61 2.20 -1.26 -0.48 119.74 120.83 1o3r s LYS 35 Ca 0.51 2.48 -0.14 0.00 -0.36 0.00 0.00 55.97 58.46 1o3r s LYS 35 Cb -0.11 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1o3r s LYS 35 CO 0.48 -0.75 0.33 0.00 -0.36 0.00 0.00 175.35 175.05 1o3r s ALA 36 N 2.12 3.57 0.00 3.13 0.00 -0.37 -4.82 121.76 125.39 1o3r s ALA 36 Ca 0.76 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1o3r s ALA 36 Cb -0.45 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1o3r s ALA 36 CO 0.33 -0.20 0.01 0.39 0.00 0.00 0.00 175.76 176.29 1o3r n GLU 37 N 4.25 0.00 -4.34 0.00 1.02 -1.26 -4.66 120.64 115.65 1o3r n GLU 37 Ca -0.10 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.78 1o3r n GLU 37 Cb 0.51 -0.39 -0.12 0.00 -0.02 0.00 0.00 31.44 31.43 1o3r n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1o3r s THR 38 N 0.00 1.97 0.03 2.62 2.01 -1.26 -0.62 115.64 120.40 1o3r s THR 38 Ca 0.00 -1.77 0.07 0.00 0.31 0.00 0.00 61.69 60.30 1o3r s THR 38 Cb 0.00 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1o3r s THR 38 CO 0.00 -0.10 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.42 1o3r s LEU 39 N -2.27 2.55 0.20 4.42 2.96 0.96 -4.75 118.68 122.75 1o3r s LEU 39 Ca 0.13 -0.43 0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1o3r s LEU 39 Cb -0.09 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1o3r s LEU 39 CO 0.06 0.26 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.83 1o3r s TYR 40 N -0.89 2.14 -0.09 5.38 1.51 0.11 -1.79 117.35 123.72 1o3r s TYR 40 Ca 0.14 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1o3r s TYR 40 Cb -0.10 -1.03 0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1o3r s TYR 40 CO 0.04 0.49 0.14 -0.47 -1.11 0.00 0.00 175.55 174.64 1o3r s TYR 41 N -1.99 -0.10 -0.40 2.71 6.14 0.17 0.02 117.35 123.91 1o3r s TYR 41 Ca 0.21 0.41 -0.29 0.00 0.64 0.00 0.00 57.07 58.04 1o3r s TYR 41 Cb -0.06 -0.36 0.01 0.00 0.42 0.00 0.00 41.96 41.97 1o3r s TYR 41 CO 0.10 -0.31 1.32 0.42 0.64 0.00 0.00 175.55 177.72 1o3r s ILE 42 N 2.25 4.04 0.06 3.14 1.01 0.88 -0.12 121.20 132.45 1o3r s ILE 42 Ca 0.04 1.08 0.01 0.00 0.00 0.00 0.00 60.65 61.78 1o3r s ILE 42 Cb -0.13 -4.30 -0.26 0.00 0.01 0.00 0.00 42.46 37.79 1o3r s ILE 42 CO -0.06 -0.76 1.06 0.58 0.00 0.00 0.00 174.94 175.76 1o3r h VAL 43 N 6.29 1.41 -1.77 2.92 2.07 -1.04 0.11 116.25 126.24 1o3r h VAL 43 Ca -0.26 -3.06 0.02 0.00 0.82 0.00 0.00 66.70 64.22 1o3r h VAL 43 Cb 1.09 2.82 -0.24 0.00 -1.52 0.00 0.00 31.29 33.45 1o3r h VAL 43 CO 1.08 0.86 0.32 -0.75 0.02 0.00 0.00 177.57 179.11 1o3r s LYS 44 N -2.65 0.65 0.00 1.57 2.20 -0.69 -4.70 119.74 116.12 1o3r s LYS 44 Ca -0.04 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1o3r s LYS 44 Cb 0.08 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1o3r s LYS 44 CO 0.85 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.16 1o3r n GLY 45 N 2.31 1.27 3.19 5.54 0.00 -1.26 -0.67 105.19 115.57 1o3r n GLY 45 Ca -0.13 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 1o3r n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o3r s SER 46 N 0.00 2.22 0.37 1.61 0.01 -1.26 -3.37 113.70 113.28 1o3r s SER 46 Ca 0.00 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1o3r s SER 46 Cb 0.00 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1o3r s SER 46 CO 0.00 0.22 0.06 0.68 0.41 0.00 0.00 173.24 174.61 1o3r s VAL 47 N -0.49 1.23 -0.02 3.43 -7.23 -0.30 0.19 120.40 117.20 1o3r s VAL 47 Ca 0.07 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1o3r s VAL 47 Cb -0.07 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.17 1o3r s VAL 47 CO -0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.65 1o3r s ALA 48 N -3.13 1.16 -0.30 1.32 0.00 0.25 -1.40 121.76 119.66 1o3r s ALA 48 Ca 0.31 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 1o3r s ALA 48 Cb 0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1o3r s ALA 48 CO 0.14 0.23 0.17 0.08 0.00 0.00 0.00 175.76 176.39 1o3r s VAL 49 N -0.05 4.93 0.10 0.00 1.01 -0.06 -0.38 120.40 125.94 1o3r s VAL 49 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1o3r s VAL 49 Cb -0.08 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1o3r s VAL 49 CO 0.01 0.14 -0.12 -1.48 0.00 0.00 0.00 175.10 173.65 1o3r s LEU 50 N 1.68 2.37 0.34 3.92 0.05 0.10 -0.55 118.68 126.60 1o3r s LEU 50 Ca 0.06 -0.76 0.09 0.00 0.05 0.00 0.00 54.13 53.57 1o3r s LEU 50 Cb -0.17 -0.42 -0.07 0.00 -2.05 0.00 0.00 46.19 43.49 1o3r s LEU 50 CO 0.08 -0.19 -0.09 0.27 -0.55 0.00 0.00 176.35 175.88 1o3r s ILE 51 N -2.08 2.19 0.15 1.48 -4.36 -0.81 -0.68 121.20 117.10 1o3r s ILE 51 Ca 0.04 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.27 1o3r s ILE 51 Cb -0.05 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 1o3r s ILE 51 CO 0.01 -0.20 -0.04 -0.54 0.24 0.00 0.00 174.94 174.41 1o3r s LYS 52 N -3.62 1.02 0.44 0.37 1.02 -1.26 -0.93 119.74 116.77 1o3r s LYS 52 Ca 0.32 -1.46 0.08 0.00 0.02 0.00 0.00 55.97 54.94 1o3r s LYS 52 Cb 0.03 -0.34 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1o3r s LYS 52 CO 0.16 -0.05 0.57 0.16 -0.92 0.00 0.00 175.35 175.28 1o3r s ASP 53 N -3.14 5.52 0.42 2.83 -4.77 -0.86 -4.97 116.67 111.70 1o3r s ASP 53 Ca 0.19 -0.51 0.14 0.00 -3.30 0.00 0.00 52.55 49.06 1o3r s ASP 53 Cb 0.05 -0.54 1.01 0.00 -1.09 0.00 0.00 42.92 42.35 1o3r s ASP 53 CO 0.01 -0.81 1.95 1.05 0.70 0.00 0.00 175.17 178.06 1o3r h GLU 54 N 0.63 0.44 -0.16 2.11 9.09 -2.02 -1.89 114.58 122.79 1o3r h GLU 54 Ca -0.39 -0.03 -0.16 0.00 0.05 0.00 0.00 59.36 58.84 1o3r h GLU 54 Cb 1.28 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 1o3r h GLU 54 CO 0.46 0.29 -0.56 0.93 0.05 0.00 0.00 179.01 180.18 1o3r h GLU 55 N 0.45 0.50 0.00 1.06 5.08 -2.05 -3.47 114.58 116.15 1o3r h GLU 55 Ca 0.33 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1o3r h GLU 55 Cb 0.66 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1o3r h GLU 55 CO -0.10 0.92 0.00 0.41 -1.00 0.00 0.00 179.01 179.24 1o3r n GLY 56 N 0.25 0.93 3.72 -3.84 0.00 -0.71 -5.09 105.19 100.44 1o3r n GLY 56 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1o3r n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o3r s LYS 57 N 0.00 4.16 0.17 1.61 1.02 -1.26 -4.76 119.74 120.68 1o3r s LYS 57 Ca 0.00 2.52 0.01 0.00 0.02 0.00 0.00 55.97 58.52 1o3r s LYS 57 Cb 0.00 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1o3r s LYS 57 CO 0.00 -0.71 0.34 -1.21 -0.92 0.00 0.00 175.35 172.85 1o3r s GLU 58 N 1.26 3.48 -0.23 1.68 2.02 -1.26 -2.04 118.70 123.61 1o3r s GLU 58 Ca 0.74 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 55.25 1o3r s GLU 58 Cb -0.47 -2.90 0.08 0.00 0.10 0.00 0.00 34.13 30.93 1o3r s GLU 58 CO 0.32 0.46 0.08 1.41 0.02 0.00 0.00 175.26 177.55 1o3r s MET 59 N -3.22 0.49 0.09 1.61 -2.45 -0.11 -4.65 119.30 111.07 1o3r s MET 59 Ca 0.37 -0.53 -0.31 0.00 -1.25 0.00 0.00 55.69 53.96 1o3r s MET 59 Cb -0.11 -1.86 -0.07 0.00 1.25 0.00 0.00 34.83 34.04 1o3r s MET 59 CO 0.29 -0.79 1.33 0.42 1.05 0.00 0.00 175.02 177.31 1o3r s ILE 60 N 1.89 3.55 -0.04 10.11 1.01 0.60 -1.92 121.20 136.40 1o3r s ILE 60 Ca 0.04 1.11 0.20 0.00 0.00 0.00 0.00 60.65 61.99 1o3r s ILE 60 Cb -0.17 -3.71 -0.30 0.00 0.01 0.00 0.00 42.46 38.29 1o3r s ILE 60 CO -0.18 0.08 0.41 0.18 0.00 0.00 0.00 174.94 175.44 1o3r n LEU 61 N 3.98 0.00 -3.60 2.97 4.77 0.28 -4.74 117.00 120.66 1o3r n LEU 61 Ca 0.11 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1o3r n LEU 61 Cb 0.44 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1o3r n LEU 61 CO 0.58 0.04 1.11 -0.55 -1.33 0.00 0.00 177.39 177.23 1o3r s SER 62 N -4.38 -0.06 0.22 -1.43 0.15 -1.22 -4.92 113.70 102.06 1o3r s SER 62 Ca -0.07 -0.04 0.11 0.00 0.70 0.00 0.00 55.95 56.64 1o3r s SER 62 Cb 0.12 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1o3r s SER 62 CO 0.83 -0.16 -0.17 -0.31 1.20 0.00 0.00 173.24 174.63 1o3r s TYR 63 N -2.25 2.43 0.01 3.44 2.02 -1.26 -0.88 117.35 120.86 1o3r s TYR 63 Ca 0.13 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1o3r s TYR 63 Cb 0.03 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 1o3r s TYR 63 CO -0.04 0.57 0.02 -0.51 -1.57 0.00 0.00 175.55 174.02 1o3r s LEU 64 N -3.02 2.00 0.00 -1.29 1.43 -0.49 -4.92 118.68 112.38 1o3r s LEU 64 Ca 0.25 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1o3r s LEU 64 Cb -0.07 0.22 -0.00 0.00 0.03 0.00 0.00 46.19 46.37 1o3r s LEU 64 CO 0.14 -0.24 0.02 0.59 0.23 0.00 0.00 176.35 177.09 1o3r n ASN 65 N 1.96 0.94 -4.40 2.29 3.02 -1.26 -1.15 115.26 116.65 1o3r n ASN 65 Ca -0.21 -1.33 -0.39 0.00 -0.03 0.00 0.00 54.58 52.63 1o3r n ASN 65 Cb 0.56 0.16 0.03 0.00 -0.61 0.00 0.00 39.78 39.92 1o3r n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o3r n GLN 66 N -0.14 0.37 -0.92 3.52 6.02 -1.22 -0.41 117.38 124.61 1o3r n GLN 66 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1o3r n GLN 66 Cb 0.09 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1o3r n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1o3r n GLY 67 N 1.99 0.72 3.79 1.08 0.00 0.38 -4.96 105.19 108.19 1o3r n GLY 67 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1o3r n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o3r s ASP 68 N -2.65 5.80 0.30 1.61 1.01 0.46 -4.89 116.67 118.32 1o3r s ASP 68 Ca 0.00 0.23 -0.09 0.00 0.71 0.00 0.00 52.55 53.40 1o3r s ASP 68 Cb 0.00 -1.73 -0.07 0.00 1.01 0.00 0.00 42.92 42.14 1o3r s ASP 68 CO 0.00 0.32 0.63 -0.36 0.21 0.00 0.00 175.17 175.97 1o3r s PHE 69 N -1.11 3.44 0.06 4.23 0.40 -1.26 -0.09 117.98 123.65 1o3r s PHE 69 Ca 0.20 0.91 0.02 0.00 -0.60 0.00 0.00 56.93 57.46 1o3r s PHE 69 Cb -0.12 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 1o3r s PHE 69 CO 0.10 0.13 -0.08 0.42 0.70 0.00 0.00 175.22 176.49 1o3r s ILE 70 N -2.04 0.61 -1.06 0.64 1.01 0.10 -4.84 121.20 115.62 1o3r s ILE 70 Ca 0.48 -1.30 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 1o3r s ILE 70 Cb -0.11 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1o3r s ILE 70 CO 0.25 -0.49 0.03 0.61 0.00 0.00 0.00 174.94 175.34 1o3r n GLY 71 N 1.08 -0.14 0.14 6.18 0.00 -1.26 0.08 105.19 111.26 1o3r n GLY 71 Ca -0.20 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1o3r n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1o3r h GLU 72 N -0.06 0.00 -0.08 1.61 9.09 -1.88 -3.37 114.58 119.88 1o3r h GLU 72 Ca -0.30 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.05 1o3r h GLU 72 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.31 1o3r h GLU 72 CO 0.35 0.00 -0.23 -0.07 0.05 0.00 0.00 179.01 179.11 1o3r h LEU 73 N 0.00 0.13 -1.55 3.06 3.38 -1.96 -2.46 115.31 115.91 1o3r h LEU 73 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1o3r h LEU 73 Cb 0.98 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1o3r h LEU 73 CO 0.00 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.52 1o3r n GLY 74 N -0.72 1.10 0.14 0.83 0.00 -1.26 -4.06 105.19 101.23 1o3r n GLY 74 Ca -0.01 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1o3r n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1o3r n LEU 75 N 0.44 0.69 -0.02 0.99 7.94 -0.93 -4.41 117.00 121.70 1o3r n LEU 75 Ca 0.12 -0.08 0.03 0.00 -1.11 0.00 0.00 56.01 54.96 1o3r n LEU 75 Cb 0.41 -0.19 -0.08 0.00 0.53 0.00 0.00 43.42 44.09 1o3r n LEU 75 CO 0.10 0.14 -0.68 0.49 -1.11 0.00 0.00 177.39 176.32 1o3r n PHE 76 N -0.97 0.00 -4.63 1.96 3.01 -1.26 -4.96 117.46 110.61 1o3r n PHE 76 Ca 0.11 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.31 1o3r n PHE 76 Cb 0.32 -0.32 -0.17 0.00 -0.01 0.00 0.00 39.48 39.31 1o3r n PHE 76 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1o3r s GLU 77 N -2.62 1.99 0.44 -1.08 2.12 -1.26 -5.11 118.70 113.18 1o3r s GLU 77 Ca -0.04 -0.50 -0.22 0.00 0.36 0.00 0.00 54.97 54.57 1o3r s GLU 77 Cb 0.06 -1.63 -0.12 0.00 0.26 0.00 0.00 34.13 32.69 1o3r s GLU 77 CO 0.44 0.02 0.51 0.39 -0.54 0.00 0.00 175.26 176.09 1o3r n GLU 78 N 3.89 0.54 -3.65 4.30 -0.58 -1.26 -3.54 120.64 120.33 1o3r n GLU 78 Ca -0.21 0.20 -0.23 0.00 -0.42 0.00 0.00 57.16 56.49 1o3r n GLU 78 Cb 0.52 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1o3r n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o3r n GLY 79 N 1.82 -1.19 3.64 0.62 0.00 -1.26 -4.99 105.19 103.83 1o3r n GLY 79 Ca 0.11 0.52 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 1o3r n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1o3r s GLN 80 N -5.01 2.31 0.12 1.61 2.00 -1.23 -5.04 119.66 114.42 1o3r s GLN 80 Ca 0.14 -1.13 0.07 0.00 -2.00 0.00 0.00 55.36 52.44 1o3r s GLN 80 Cb -0.06 -2.32 -0.04 0.00 0.80 0.00 0.00 33.01 31.39 1o3r s GLN 80 CO 0.87 0.46 -0.05 -1.21 -0.50 0.00 0.00 175.29 174.86 1o3r s GLU 81 N -2.84 2.29 0.30 1.67 2.02 -1.26 -1.23 118.70 119.65 1o3r s GLU 81 Ca 0.26 -1.01 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1o3r s GLU 81 Cb -0.09 -2.37 -0.12 0.00 0.10 0.00 0.00 34.13 31.65 1o3r s GLU 81 CO 0.17 0.50 1.45 0.54 0.02 0.00 0.00 175.26 177.94 1o3r n ARG 82 N 0.43 2.37 0.00 1.61 5.12 0.36 -4.79 116.66 121.76 1o3r n ARG 82 Ca -0.12 0.84 0.12 0.00 -1.93 0.00 0.00 57.85 56.76 1o3r n ARG 82 Cb 0.53 -2.53 0.29 0.00 -1.16 0.00 0.00 32.46 29.60 1o3r n ARG 82 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1o3r n SER 83 N 1.58 0.93 -3.72 0.55 3.41 -1.26 -0.56 113.62 114.54 1o3r n SER 83 Ca 0.07 -0.75 -0.04 0.00 -0.26 0.00 0.00 58.87 57.90 1o3r n SER 83 Cb 0.35 0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1o3r n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o3r s ALA 84 N -2.67 -1.66 0.27 7.33 0.00 -1.26 -4.89 121.76 118.87 1o3r s ALA 84 Ca 0.19 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 1o3r s ALA 84 Cb 0.18 0.62 -0.08 0.00 0.00 0.00 0.00 23.12 23.85 1o3r s ALA 84 CO 0.59 -1.00 0.68 -1.58 0.00 0.00 0.00 175.76 174.45 1o3r s TRP 85 N -3.29 3.46 -0.10 0.00 0.52 0.15 -3.35 118.94 116.33 1o3r s TRP 85 Ca 0.11 1.18 -0.00 0.00 0.02 0.00 0.00 56.10 57.41 1o3r s TRP 85 Cb -0.01 -2.49 0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1o3r s TRP 85 CO 0.01 0.21 -0.08 0.08 0.02 0.00 0.00 176.95 177.19 1o3r s VAL 86 N -1.80 0.99 0.10 4.03 1.01 -0.68 -0.72 120.40 123.33 1o3r s VAL 86 Ca 0.49 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1o3r s VAL 86 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1o3r s VAL 86 CO 0.19 0.36 -0.21 -0.60 0.00 0.00 0.00 175.10 174.84 1o3r s ARG 87 N 1.57 1.13 -0.06 2.72 3.52 0.49 -1.50 118.95 126.82 1o3r s ARG 87 Ca 0.02 -1.17 -0.26 0.00 -0.13 0.00 0.00 55.73 54.19 1o3r s ARG 87 Cb -0.13 -1.40 -0.03 0.00 -1.56 0.00 0.00 34.95 31.83 1o3r s ARG 87 CO -0.06 0.33 0.81 0.00 -0.81 0.00 0.00 175.30 175.57 1o3r s ALA 88 N -1.17 3.31 0.00 6.12 0.00 0.44 0.86 121.76 131.32 1o3r s ALA 88 Ca 0.07 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1o3r s ALA 88 Cb -0.10 -3.12 -0.32 0.00 0.00 0.00 0.00 23.12 19.57 1o3r s ALA 88 CO 0.04 -0.23 0.88 0.87 0.00 0.00 0.00 175.76 177.32 1o3r h LYS 89 N 6.86 0.43 0.00 0.00 1.79 -0.55 0.44 116.57 125.53 1o3r h LYS 89 Ca -0.39 -0.74 0.00 0.00 -2.18 0.00 0.00 60.65 57.34 1o3r h LYS 89 Cb 1.19 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 1o3r h LYS 89 CO 0.77 1.34 0.00 0.25 -1.08 0.00 0.00 179.45 180.73 1o3r n THR 90 N -3.62 0.00 -2.49 -0.16 -2.24 -0.98 -4.46 114.28 100.32 1o3r n THR 90 Ca -0.19 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 1o3r n THR 90 Cb 1.08 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 1o3r n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o3r s ALA 91 N -2.00 2.84 0.11 6.98 0.00 -1.26 -2.82 121.76 125.61 1o3r s ALA 91 Ca 0.00 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1o3r s ALA 91 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1o3r s ALA 91 CO 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 175.76 175.28 1o3r s GLU 93 N -3.35 0.54 -0.08 0.00 2.12 0.16 -2.00 118.70 116.08 1o3r s GLU 93 Ca 0.10 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1o3r s GLU 93 Cb 0.01 -1.72 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 1o3r s GLU 93 CO -0.02 -0.98 -0.07 0.08 -0.54 0.00 0.00 175.26 173.74 1o3r s VAL 94 N 1.79 3.69 -0.02 3.70 1.01 0.08 -0.38 120.40 130.27 1o3r s VAL 94 Ca 0.09 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1o3r s VAL 94 Cb -0.17 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1o3r s VAL 94 CO -0.28 0.58 0.48 0.00 0.00 0.00 0.00 175.10 175.88 1o3r s ALA 95 N -0.59 3.59 0.08 5.51 0.00 0.83 0.04 121.76 131.22 1o3r s ALA 95 Ca 0.09 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1o3r s ALA 95 Cb -0.12 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1o3r s ALA 95 CO 0.02 0.29 -0.17 -1.21 0.00 0.00 0.00 175.76 174.69 1o3r s GLU 96 N -0.50 0.95 -0.03 0.00 2.02 0.21 -0.65 118.70 120.70 1o3r s GLU 96 Ca 0.26 -1.02 -0.23 0.00 0.02 0.00 0.00 54.97 54.00 1o3r s GLU 96 Cb -0.17 -1.06 0.05 0.00 0.10 0.00 0.00 34.13 33.05 1o3r s GLU 96 CO 0.14 0.24 0.51 -1.50 0.02 0.00 0.00 175.26 174.67 1o3r s ILE 97 N -1.20 0.03 0.13 -1.63 2.07 -0.74 0.38 121.20 120.24 1o3r s ILE 97 Ca 0.02 -0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 58.73 1o3r s ILE 97 Cb -0.10 -0.83 -0.06 0.00 0.13 0.00 0.00 42.46 41.60 1o3r s ILE 97 CO 0.03 -0.12 1.06 -0.94 -1.91 0.00 0.00 174.94 173.06 1o3r s SER 98 N -1.28 7.32 0.20 4.50 1.04 -1.26 -0.03 113.70 124.19 1o3r s SER 98 Ca -0.12 1.96 -0.15 0.00 0.48 0.00 0.00 55.95 58.11 1o3r s SER 98 Cb -0.02 -2.59 0.19 0.00 0.10 0.00 0.00 66.02 63.69 1o3r s SER 98 CO 0.07 -0.21 1.63 1.88 0.98 0.00 0.00 173.24 177.59 1o3r h TYR 99 N 5.62 -0.42 -0.71 5.02 0.05 -1.18 0.65 116.97 126.00 1o3r h TYR 99 Ca -0.43 0.05 0.16 0.00 0.05 0.00 0.00 58.73 58.56 1o3r h TYR 99 Cb 1.21 0.27 -0.12 0.00 1.01 0.00 0.00 36.73 39.11 1o3r h TYR 99 CO 0.64 -0.28 0.04 -0.22 -1.05 0.00 0.00 178.16 177.29 1o3r h LYS 100 N -0.04 0.13 0.38 4.88 3.11 -1.92 0.35 116.57 123.47 1o3r h LYS 100 Ca 0.27 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.08 1o3r h LYS 100 Cb 0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1o3r h LYS 100 CO -0.61 0.09 -0.18 -0.22 -2.81 0.00 0.00 179.45 175.72 1o3r h LYS 101 N 0.14 -0.50 -0.97 1.90 1.63 -0.82 -3.20 116.57 114.74 1o3r h LYS 101 Ca 0.38 0.03 0.18 0.00 -0.85 0.00 0.00 60.65 60.40 1o3r h LYS 101 Cb 0.66 0.11 -0.18 0.00 -0.60 0.00 0.00 32.23 32.22 1o3r h LYS 101 CO -0.59 -0.33 -0.28 0.34 -3.45 0.00 0.00 179.45 175.14 1o3r n PHE 102 N -3.61 0.26 -0.33 1.91 7.35 0.19 0.12 117.46 123.34 1o3r n PHE 102 Ca -0.06 1.19 0.17 0.00 -0.76 0.00 0.00 57.45 57.98 1o3r n PHE 102 Cb 0.20 -1.01 0.37 0.00 0.35 0.00 0.00 39.48 39.40 1o3r n PHE 102 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1o3r h ARG 103 N 0.00 0.48 -0.46 -4.13 3.08 -0.38 0.19 114.38 113.16 1o3r h ARG 103 Ca 0.43 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.35 1o3r h ARG 103 Cb 0.67 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1o3r h ARG 103 CO -0.99 0.32 -0.10 0.37 -1.07 0.00 0.00 179.97 178.49 1o3r h GLN 104 N 0.49 0.88 -0.46 0.04 4.15 0.89 -3.12 115.11 117.99 1o3r h GLN 104 Ca 0.63 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 1o3r h GLN 104 Cb 1.22 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1o3r h GLN 104 CO -0.51 0.98 0.17 -0.07 -1.93 0.00 0.00 178.83 177.47 1o3r h LEU 105 N 0.72 0.60 0.00 -2.39 3.38 -0.23 -2.31 115.31 115.08 1o3r h LEU 105 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1o3r h LEU 105 Cb 0.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1o3r h LEU 105 CO 0.04 0.56 0.00 2.30 0.09 0.00 0.00 178.44 181.43 1o3r n ILE 106 N -4.35 0.09 -0.08 1.22 -5.35 -0.86 -0.59 119.36 109.44 1o3r n ILE 106 Ca 0.03 0.02 -0.15 0.00 -0.27 0.00 0.00 62.75 62.38 1o3r n ILE 106 Cb 0.16 -0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 37.40 1o3r n ILE 106 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1o3r h GLN 107 N 0.00 0.00 -0.51 6.28 4.20 -1.39 0.16 115.11 123.85 1o3r h GLN 107 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1o3r h GLN 107 Cb 0.27 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1o3r h GLN 107 CO 0.00 0.81 0.34 -0.24 -0.67 0.00 0.00 178.83 179.07 1o3r h VAL 108 N -1.00 0.98 -1.67 -0.54 3.04 -1.35 -3.37 116.25 112.34 1o3r h VAL 108 Ca -0.16 -0.16 -0.24 0.00 -1.01 0.00 0.00 66.70 65.13 1o3r h VAL 108 Cb 1.00 0.48 -0.28 0.00 -2.01 0.00 0.00 31.29 30.49 1o3r h VAL 108 CO -0.10 0.08 -0.59 0.21 -1.01 0.00 0.00 177.57 176.17 1o3r s ASN 109 N -6.43 0.35 0.05 3.17 3.04 0.25 -4.98 114.94 110.38 1o3r s ASN 109 Ca -0.08 -1.00 0.13 0.00 0.04 0.00 0.00 52.86 51.95 1o3r s ASN 109 Cb 0.19 1.04 0.55 0.00 -1.54 0.00 0.00 41.25 41.48 1o3r s ASN 109 CO 0.74 -0.28 1.40 -2.65 -3.04 0.00 0.00 177.10 173.27 1o3r n PRO 110 N 4.67 0.03 0.24 0.43 -0.02 0.58 -2.57 135.00 138.36 1o3r n PRO 110 Ca 0.07 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1o3r n PRO 110 Cb 0.49 -1.57 0.57 0.00 -0.02 0.00 0.00 33.50 32.98 1o3r n PRO 110 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1o3r h ASP 111 N 0.00 0.00 0.42 2.55 -0.00 -1.94 0.70 116.42 118.15 1o3r h ASP 111 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 56.85 1o3r h ASP 111 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.52 1o3r h ASP 111 CO 0.00 0.12 -0.75 -0.29 -0.00 0.00 0.00 179.24 178.32 1o3r h ILE 112 N 0.00 1.43 -0.39 2.25 6.09 -1.86 -2.62 117.51 122.41 1o3r h ILE 112 Ca -0.00 -2.27 -0.01 0.00 -1.37 0.00 0.00 64.86 61.21 1o3r h ILE 112 Cb 0.21 2.21 -0.02 0.00 0.47 0.00 0.00 36.82 39.70 1o3r h ILE 112 CO 0.02 0.67 0.20 0.25 -3.07 0.00 0.00 178.15 176.21 1o3r h LEU 113 N 0.17 0.47 0.30 2.19 5.85 -1.07 -1.84 115.31 121.39 1o3r h LEU 113 Ca -0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1o3r h LEU 113 Cb 1.32 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1o3r h LEU 113 CO 0.12 0.40 -0.15 0.24 -0.34 0.00 0.00 178.44 178.71 1o3r h MET 114 N 0.54 -0.39 -1.02 1.25 2.86 -1.00 -1.48 114.93 115.68 1o3r h MET 114 Ca 0.14 0.03 0.26 0.00 -2.06 0.00 0.00 59.70 58.06 1o3r h MET 114 Cb 0.04 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.70 1o3r h MET 114 CO -0.02 -0.23 0.66 -0.09 1.06 0.00 0.00 176.91 178.29 1o3r h ARG 115 N -0.45 0.37 0.35 1.72 9.65 -1.00 -0.72 114.38 124.29 1o3r h ARG 115 Ca -0.04 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1o3r h ARG 115 Cb 0.34 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1o3r h ARG 115 CO 0.07 0.24 -0.17 1.25 2.80 0.00 0.00 179.97 184.17 1o3r h LEU 116 N 0.38 -0.40 -1.43 3.80 5.85 -1.05 -3.13 115.31 119.33 1o3r h LEU 116 Ca 0.57 -0.07 0.29 0.00 0.84 0.00 0.00 57.88 59.51 1o3r h LEU 116 Cb 1.47 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.51 1o3r h LEU 116 CO -0.26 0.06 0.70 0.28 -0.34 0.00 0.00 178.44 178.89 1o3r h SER 117 N -1.07 0.38 0.45 1.25 0.02 -0.55 0.22 113.55 114.25 1o3r h SER 117 Ca -0.05 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1o3r h SER 117 Cb 0.44 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1o3r h SER 117 CO 0.08 0.05 -0.22 0.00 -1.14 0.00 0.00 176.83 175.60 1o3r h ALA 118 N 1.60 -0.61 -0.73 3.77 0.00 -1.21 -0.38 119.26 121.71 1o3r h ALA 118 Ca 0.61 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.52 1o3r h ALA 118 Cb 1.69 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.62 1o3r h ALA 118 CO -0.28 -0.83 0.26 1.96 0.00 0.00 0.00 179.25 180.36 1o3r h GLN 119 N -0.63 0.38 -0.80 0.00 4.20 -0.55 0.28 115.11 117.99 1o3r h GLN 119 Ca -0.06 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1o3r h GLN 119 Cb 0.48 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1o3r h GLN 119 CO 0.10 0.25 0.53 0.52 -0.67 0.00 0.00 178.83 179.56 1o3r h MET 120 N 0.39 1.05 0.28 1.46 2.86 -0.96 0.31 114.93 120.32 1o3r h MET 120 Ca 0.40 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1o3r h MET 120 Cb 0.62 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1o3r h MET 120 CO -0.42 0.69 -0.16 0.00 1.06 0.00 0.00 176.91 178.09 1o3r h ALA 121 N 1.29 -0.41 -0.43 6.32 0.00 0.12 0.81 119.26 126.97 1o3r h ALA 121 Ca 0.29 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1o3r h ALA 121 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1o3r h ALA 121 CO -0.07 -0.73 0.17 -0.09 0.00 0.00 0.00 179.25 178.53 1o3r h ARG 122 N -0.41 0.35 -0.70 0.00 2.43 -0.31 -1.08 114.38 114.65 1o3r h ARG 122 Ca -0.03 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1o3r h ARG 122 Cb 0.34 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 1o3r h ARG 122 CO 0.04 0.23 0.34 0.00 -1.51 0.00 0.00 179.97 179.07 1o3r h ARG 123 N 0.36 0.55 -0.49 0.20 3.08 0.10 -0.53 114.38 117.64 1o3r h ARG 123 Ca 0.20 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1o3r h ARG 123 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1o3r h ARG 123 CO -0.18 0.37 0.02 1.25 -1.07 0.00 0.00 179.97 180.36 1o3r h LEU 124 N 0.57 0.77 0.84 3.04 5.85 -0.22 -1.22 115.31 124.93 1o3r h LEU 124 Ca 0.35 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1o3r h LEU 124 Cb 0.39 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1o3r h LEU 124 CO -0.28 0.82 -0.41 1.56 -0.34 0.00 0.00 178.44 179.78 1o3r h GLN 125 N 0.75 -1.10 -0.43 1.25 4.20 0.14 -1.93 115.11 117.98 1o3r h GLN 125 Ca 0.15 0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1o3r h GLN 125 Cb 0.42 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1o3r h GLN 125 CO 0.02 -0.73 0.16 -0.39 -0.67 0.00 0.00 178.83 177.21 1o3r h VAL 126 N -1.14 1.17 -0.44 -0.54 -1.51 -1.18 0.86 116.25 113.47 1o3r h VAL 126 Ca -0.11 -0.55 -0.05 0.00 -1.23 0.00 0.00 66.70 64.76 1o3r h VAL 126 Cb 0.88 0.68 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 1o3r h VAL 126 CO 0.18 0.21 0.10 0.74 -1.23 0.00 0.00 177.57 177.57 1o3r h THR 127 N 0.61 1.24 -0.31 7.19 2.02 -1.12 0.53 112.91 123.07 1o3r h THR 127 Ca 0.15 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1o3r h THR 127 Cb 0.15 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1o3r h THR 127 CO -0.01 0.29 0.20 0.28 0.37 0.00 0.00 175.52 176.65 1o3r h SER 128 N 0.58 0.35 -0.89 4.18 0.02 -0.87 0.22 113.55 117.14 1o3r h SER 128 Ca 0.14 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 1o3r h SER 128 Cb 0.34 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 1o3r h SER 128 CO 0.00 0.26 0.58 -0.08 -1.14 0.00 0.00 176.83 176.45 1o3r h GLU 129 N 0.41 0.87 0.00 3.45 4.81 -0.07 0.26 114.58 124.31 1o3r h GLU 129 Ca 0.11 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1o3r h GLU 129 Cb -0.04 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1o3r h GLU 129 CO -0.02 0.58 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.30 1o3r h LYS 130 N 0.90 0.00 -0.13 1.92 3.64 0.21 -2.53 116.57 120.58 1o3r h LYS 130 Ca 0.41 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1o3r h LYS 130 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1o3r h LYS 130 CO -0.17 0.31 -0.25 0.28 -2.27 0.00 0.00 179.45 177.35 1o3r h VAL 131 N 0.00 1.37 -0.57 2.00 2.07 0.25 -2.72 116.25 118.66 1o3r h VAL 131 Ca -0.00 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1o3r h VAL 131 Cb 0.67 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 1o3r h VAL 131 CO 0.04 0.45 0.33 1.23 0.02 0.00 0.00 177.57 179.63 1o3r h GLY 132 N -0.02 0.83 0.85 2.17 0.00 -1.25 -2.01 103.07 103.64 1o3r h GLY 132 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.01 1o3r h GLY 132 CO 0.06 0.33 0.08 3.43 0.00 0.00 0.00 176.54 180.44 1o3r h ASN 133 N 0.79 0.10 0.55 0.19 -0.26 -1.36 1.27 115.58 116.86 1o3r h ASN 133 Ca 0.20 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.90 1o3r h ASN 133 Cb -0.00 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1o3r h ASN 133 CO -0.04 0.09 -0.29 -0.07 -1.06 0.00 0.00 177.43 176.06 1o3r h LEU 134 N 0.18 0.00 0.11 1.61 3.38 -1.25 -0.25 115.31 119.10 1o3r h LEU 134 Ca 0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 1o3r h LEU 134 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1o3r h LEU 134 CO -0.09 0.29 -1.82 0.00 0.09 0.00 0.00 178.44 176.92 1o3r h ALA 135 N 1.71 0.42 0.00 1.53 0.00 -0.60 -3.41 119.26 118.91 1o3r h ALA 135 Ca -0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 54.91 53.35 1o3r h ALA 135 Cb 0.65 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1o3r h ALA 135 CO 0.04 1.29 -2.20 1.19 0.00 0.00 0.00 179.25 179.56 1o3r n PHE 136 N -3.41 0.00 -4.03 0.00 3.72 0.43 -4.99 117.46 109.17 1o3r n PHE 136 Ca -0.25 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.87 1o3r n PHE 136 Cb 1.05 -0.80 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 1o3r n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1o3r s LEU 137 N -5.10 3.96 0.46 4.37 1.43 -0.11 -5.04 118.68 118.65 1o3r s LEU 137 Ca -0.09 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1o3r s LEU 137 Cb 0.08 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1o3r s LEU 137 CO 0.81 0.11 0.75 1.51 0.23 0.00 0.00 176.35 179.76 1o3r s ASP 138 N -2.82 6.21 0.23 2.29 3.84 -1.26 -4.70 116.67 120.47 1o3r s ASP 138 Ca 0.31 0.81 -0.14 0.00 -0.00 0.00 0.00 52.55 53.53 1o3r s ASP 138 Cb -0.11 -2.15 0.29 0.00 -1.38 0.00 0.00 42.92 39.56 1o3r s ASP 138 CO 0.24 -0.56 1.58 0.58 -0.00 0.00 0.00 175.17 177.01 1o3r h VAL 139 N 0.30 0.11 -0.47 2.11 2.07 -1.96 -0.65 116.25 117.77 1o3r h VAL 139 Ca -0.47 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.11 1o3r h VAL 139 Cb 1.21 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 1o3r h VAL 139 CO 0.61 0.00 -0.48 0.74 0.02 0.00 0.00 177.57 178.46 1o3r h THR 140 N -0.03 0.06 -0.88 2.57 2.02 -1.96 0.44 112.91 115.12 1o3r h THR 140 Ca 0.36 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.64 1o3r h THR 140 Cb 0.60 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1o3r h THR 140 CO -0.87 0.00 0.57 1.23 0.37 0.00 0.00 175.52 176.82 1o3r h GLY 141 N -0.32 1.25 0.68 2.16 0.00 -1.52 0.33 103.07 105.66 1o3r h GLY 141 Ca 0.13 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1o3r h GLY 141 CO -0.62 0.19 -0.12 3.21 0.00 0.00 0.00 176.54 179.20 1o3r h ARG 142 N 0.86 0.28 -0.06 4.80 3.08 -0.48 -0.23 114.38 122.62 1o3r h ARG 142 Ca 0.41 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1o3r h ARG 142 Cb 0.43 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1o3r h ARG 142 CO -0.17 0.70 0.04 0.82 -1.07 0.00 0.00 179.97 180.28 1o3r h ILE 143 N -0.13 1.04 -0.37 2.04 2.04 0.45 -1.94 117.51 120.63 1o3r h ILE 143 Ca 0.02 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1o3r h ILE 143 Cb 0.65 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1o3r h ILE 143 CO 0.03 0.03 -0.15 0.00 0.00 0.00 0.00 178.15 178.06 1o3r h ALA 144 N 0.99 0.16 0.00 1.87 0.00 -0.27 0.17 119.26 122.19 1o3r h ALA 144 Ca 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1o3r h ALA 144 Cb 0.02 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1o3r h ALA 144 CO -0.00 -0.51 -0.05 0.37 0.00 0.00 0.00 179.25 179.05 1o3r h GLN 145 N -0.07 0.00 0.02 0.00 4.15 -0.86 -2.38 115.11 115.97 1o3r h GLN 145 Ca 0.19 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.42 1o3r h GLN 145 Cb 0.36 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.06 1o3r h GLN 145 CO -0.43 0.05 -0.72 1.15 -1.93 0.00 0.00 178.83 176.96 1o3r h THR 146 N 0.00 1.41 -0.44 2.39 2.02 -0.21 -1.96 112.91 116.12 1o3r h THR 146 Ca -0.00 -2.18 -0.07 0.00 0.77 0.00 0.00 66.41 64.93 1o3r h THR 146 Cb 0.11 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 1o3r h THR 146 CO 0.01 0.64 -0.02 -0.07 0.37 0.00 0.00 175.52 176.45 1o3r h LEU 147 N -0.05 0.71 0.15 2.58 3.38 -1.06 0.36 115.31 121.38 1o3r h LEU 147 Ca -0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1o3r h LEU 147 Cb 1.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1o3r h LEU 147 CO 0.14 0.79 -0.07 -0.07 0.09 0.00 0.00 178.44 179.32 1o3r h LEU 148 N 0.69 -0.18 -0.02 1.67 -0.00 -1.47 0.13 115.31 116.13 1o3r h LEU 148 Ca 0.13 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1o3r h LEU 148 Cb 0.45 0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1o3r h LEU 148 CO 0.02 -0.10 0.01 0.78 -0.00 0.00 0.00 178.44 179.15 1o3r h ASN 149 N -0.23 0.03 -0.88 -0.43 2.35 -1.06 -2.38 115.58 112.99 1o3r h ASN 149 Ca -0.02 -0.16 0.14 0.00 -0.55 0.00 0.00 56.30 55.71 1o3r h ASN 149 Cb 0.18 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.45 1o3r h ASN 149 CO 0.03 0.19 0.48 -0.07 -1.65 0.00 0.00 177.43 176.42 1o3r h LEU 150 N -0.12 0.62 -1.12 1.61 3.38 -0.16 -1.16 115.31 118.36 1o3r h LEU 150 Ca 0.01 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1o3r h LEU 150 Cb 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1o3r h LEU 150 CO -0.00 0.27 -0.39 0.00 0.09 0.00 0.00 178.44 178.41 1o3r h ALA 151 N 1.55 1.15 -0.00 1.53 0.00 -0.49 -2.23 119.26 120.77 1o3r h ALA 151 Ca 0.47 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1o3r h ALA 151 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1o3r h ALA 151 CO -0.34 0.49 -0.03 1.63 0.00 0.00 0.00 179.25 181.00 1o3r n LYS 152 N -3.78 0.43 -2.36 0.00 5.02 -0.47 -4.76 118.16 112.25 1o3r n LYS 152 Ca -0.01 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.89 1o3r n LYS 152 Cb 0.47 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1o3r n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1o3r s GLN 153 N -2.59 3.53 0.51 1.97 -0.21 -0.84 -4.94 119.66 117.09 1o3r s GLN 153 Ca 0.27 1.53 0.23 0.00 0.02 0.00 0.00 55.36 57.41 1o3r s GLN 153 Cb 0.20 -2.06 1.36 0.00 1.00 0.00 0.00 33.01 33.51 1o3r s GLN 153 CO 0.47 -0.69 2.09 -1.35 -2.12 0.00 0.00 175.29 173.69 1o3r h PRO 154 N 1.37 0.00 -0.00 2.91 0.11 -1.88 -1.87 132.00 132.64 1o3r h PRO 154 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1o3r h PRO 154 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1o3r h PRO 154 CO 0.58 0.11 -0.02 -0.40 -0.21 0.00 0.00 178.00 178.05 1o3r n ASP 155 N -3.98 0.48 -4.76 -2.05 5.75 -1.26 -4.84 116.55 105.89 1o3r n ASP 155 Ca -0.02 -0.99 -0.40 0.00 -0.01 0.00 0.00 54.79 53.37 1o3r n ASP 155 Cb 0.20 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 1o3r n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o3r s ALA 156 N -2.14 3.44 0.16 2.12 0.00 -0.70 -5.00 121.76 119.64 1o3r s ALA 156 Ca 0.40 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 1o3r s ALA 156 Cb 0.21 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 1o3r s ALA 156 CO 0.39 -0.33 0.82 -1.64 0.00 0.00 0.00 175.76 175.00 1o3r s MET 157 N -1.56 4.62 -0.06 0.00 -1.94 0.66 -4.90 119.30 116.12 1o3r s MET 157 Ca 0.46 1.23 -0.24 0.00 -1.71 0.00 0.00 55.69 55.43 1o3r s MET 157 Cb -0.35 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.17 1o3r s MET 157 CO 0.45 0.49 0.75 -0.08 -0.01 0.00 0.00 175.02 176.62 1o3r s THR 158 N -0.89 5.01 0.09 2.05 -1.32 -1.26 0.49 115.64 119.82 1o3r s THR 158 Ca 0.38 1.54 0.05 0.00 -1.21 0.00 0.00 61.69 62.45 1o3r s THR 158 Cb -0.23 -4.09 -0.03 0.00 -1.51 0.00 0.00 72.50 66.64 1o3r s THR 158 CO 0.27 0.22 -0.13 -2.28 -2.21 0.00 0.00 174.62 170.50 1o3r s HIS 159 N 0.92 1.19 0.51 9.09 5.04 -0.66 -4.85 115.29 126.53 1o3r s HIS 159 Ca 0.40 -0.53 0.29 0.00 -1.54 0.00 0.00 55.06 53.67 1o3r s HIS 159 Cb -0.18 -0.65 1.39 0.00 0.04 0.00 0.00 32.58 33.17 1o3r s HIS 159 CO 0.19 0.06 1.87 -1.00 -2.34 0.00 0.00 174.74 173.51 1o3r h PRO 160 N 3.93 0.10 -0.14 2.88 0.13 -1.99 -2.09 132.00 134.82 1o3r h PRO 160 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1o3r h PRO 160 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1o3r h PRO 160 CO 0.46 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 1o3r n ASP 161 N -4.33 2.76 0.00 1.44 8.00 -1.26 -5.06 116.55 118.10 1o3r n ASP 161 Ca 0.20 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.88 1o3r n ASP 161 Cb 0.94 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 1o3r n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o3r n GLY 162 N 1.08 -0.43 3.52 0.44 0.00 -0.79 -1.46 105.19 107.55 1o3r n GLY 162 Ca 0.13 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1o3r n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1o3r s MET 163 N -1.17 2.11 -0.15 1.61 -1.94 -0.79 -1.65 119.30 117.31 1o3r s MET 163 Ca 0.00 -0.99 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 1o3r s MET 163 Cb 0.00 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.59 1o3r s MET 163 CO 0.00 0.53 -0.17 -1.14 -0.01 0.00 0.00 175.02 174.23 1o3r s GLN 164 N -1.76 3.17 0.36 2.03 0.74 0.18 -0.82 119.66 123.56 1o3r s GLN 164 Ca 0.17 -0.77 0.09 0.00 0.05 0.00 0.00 55.36 54.90 1o3r s GLN 164 Cb -0.11 -2.59 -0.07 0.00 1.10 0.00 0.00 33.01 31.35 1o3r s GLN 164 CO 0.09 -0.00 -0.08 0.96 -0.55 0.00 0.00 175.29 175.71 1o3r s ILE 165 N 0.85 2.19 -0.06 -2.34 -4.36 -0.57 -0.25 121.20 116.66 1o3r s ILE 165 Ca -0.05 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.18 1o3r s ILE 165 Cb -0.15 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 40.87 1o3r s ILE 165 CO -0.01 -0.17 -0.06 -0.54 0.24 0.00 0.00 174.94 174.40 1o3r s LYS 166 N -3.63 1.08 -0.27 0.37 1.02 -1.26 -2.00 119.74 115.05 1o3r s LYS 166 Ca 0.33 -0.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 1o3r s LYS 166 Cb 0.04 -1.09 0.18 0.00 -0.52 0.00 0.00 37.83 36.44 1o3r s LYS 166 CO 0.17 -0.12 1.31 -1.50 -0.92 0.00 0.00 175.35 174.29 1o3r s ILE 167 N 1.15 0.00 0.39 2.17 2.07 -0.22 -5.00 121.20 121.76 1o3r s ILE 167 Ca -0.07 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.09 1o3r s ILE 167 Cb -0.14 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.39 1o3r s ILE 167 CO -0.01 0.00 0.72 0.42 -1.91 0.00 0.00 174.94 174.15 1o3r s THR 168 N -1.00 4.87 0.39 4.00 -4.23 -1.26 -4.55 115.64 113.86 1o3r s THR 168 Ca 0.07 0.40 0.07 0.00 -1.18 0.00 0.00 61.69 61.05 1o3r s THR 168 Cb -0.01 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 70.36 1o3r s THR 168 CO -0.07 -0.53 2.01 0.03 -0.54 0.00 0.00 174.62 175.52 1o3r h ARG 169 N 1.18 0.64 -0.14 3.99 3.08 -1.93 -1.86 114.38 119.34 1o3r h ARG 169 Ca -0.47 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.55 1o3r h ARG 169 Cb 1.19 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1o3r h ARG 169 CO 0.64 0.42 0.03 0.37 -1.07 0.00 0.00 179.97 180.36 1o3r h GLN 170 N 0.66 0.09 0.00 0.04 4.15 -1.92 -1.68 115.11 116.44 1o3r h GLN 170 Ca 0.24 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.52 1o3r h GLN 170 Cb 0.13 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1o3r h GLN 170 CO -0.07 0.06 -0.63 1.49 -1.93 0.00 0.00 178.83 177.75 1o3r h GLU 171 N 0.09 0.00 0.00 1.69 4.81 -1.75 -1.99 114.58 117.43 1o3r h GLU 171 Ca 0.06 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1o3r h GLU 171 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1o3r h GLU 171 CO -0.08 0.63 -0.35 0.82 -0.73 0.00 0.00 179.01 179.30 1o3r h ILE 172 N 0.00 1.23 -0.14 2.32 2.04 -1.21 -1.87 117.51 119.88 1o3r h ILE 172 Ca -0.01 -1.20 -0.11 0.00 1.00 0.00 0.00 64.86 64.54 1o3r h ILE 172 Cb 1.12 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1o3r h ILE 172 CO 0.08 0.34 -0.39 1.23 0.00 0.00 0.00 178.15 179.41 1o3r h GLY 173 N 1.08 0.32 1.15 5.37 0.00 -0.56 0.03 103.07 110.46 1o3r h GLY 173 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1o3r h GLY 173 CO 0.05 0.28 -0.05 -1.06 0.00 0.00 0.00 176.54 175.75 1o3r n GLN 174 N -4.04 0.66 -0.13 4.80 6.02 -0.77 -0.67 117.38 123.25 1o3r n GLN 174 Ca -0.01 -0.12 -0.27 0.00 -0.01 0.00 0.00 57.00 56.59 1o3r n GLN 174 Cb 0.47 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.14 1o3r n GLN 174 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1o3r n ILE 175 N -1.07 1.50 1.19 5.09 5.41 -0.74 -0.29 119.36 130.44 1o3r n ILE 175 Ca 0.16 -0.31 0.14 0.00 1.00 0.00 0.00 62.75 63.74 1o3r n ILE 175 Cb 0.24 -1.93 0.56 0.00 -0.71 0.00 0.00 39.64 37.79 1o3r n ILE 175 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1o3r n VAL 176 N -4.25 0.00 -2.41 1.39 0.24 -0.08 -4.85 118.33 108.36 1o3r n VAL 176 Ca -0.49 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 61.73 1o3r n VAL 176 Cb 0.83 -0.21 0.03 0.00 -1.47 0.00 0.00 33.84 33.03 1o3r n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1o3r n GLY 177 N 1.40 0.07 2.47 7.63 0.00 0.16 -4.99 105.19 111.93 1o3r n GLY 177 Ca 0.10 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1o3r n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o3r s SER 179 N -2.71 6.98 0.55 0.00 1.04 -1.26 -4.56 113.70 113.74 1o3r s SER 179 Ca 0.27 1.33 0.28 0.00 0.48 0.00 0.00 55.95 58.30 1o3r s SER 179 Cb 0.01 -2.39 1.45 0.00 0.10 0.00 0.00 66.02 65.19 1o3r s SER 179 CO 0.19 0.02 1.96 0.08 0.98 0.00 0.00 173.24 176.47 1o3r h ARG 180 N 3.33 0.00 -0.41 4.02 0.11 -1.87 0.51 114.38 120.07 1o3r h ARG 180 Ca -0.48 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.50 1o3r h ARG 180 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1o3r h ARG 180 CO 0.65 0.00 -0.13 0.93 0.10 0.00 0.00 179.97 181.52 1o3r h GLU 181 N 0.00 0.81 -0.08 0.08 3.07 -1.92 -2.08 114.58 114.46 1o3r h GLU 181 Ca 0.27 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 1o3r h GLU 181 Cb 1.18 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1o3r h GLU 181 CO -0.00 0.95 -0.29 1.15 -1.40 0.00 0.00 179.01 179.42 1o3r h THR 182 N 0.62 1.24 0.52 1.13 2.02 -0.38 -2.32 112.91 115.74 1o3r h THR 182 Ca 0.10 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 1o3r h THR 182 Cb 0.67 1.50 0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1o3r h THR 182 CO 0.05 0.33 -0.25 0.58 0.37 0.00 0.00 175.52 176.60 1o3r h VAL 183 N 0.13 0.25 -1.03 3.16 2.07 -1.14 -1.73 116.25 117.96 1o3r h VAL 183 Ca 0.02 -0.46 0.29 0.00 0.82 0.00 0.00 66.70 67.37 1o3r h VAL 183 Cb 0.58 0.36 -0.13 0.00 -1.52 0.00 0.00 31.29 30.58 1o3r h VAL 183 CO 0.04 0.04 0.61 1.23 0.02 0.00 0.00 177.57 179.51 1o3r h GLY 184 N -1.07 1.87 0.92 2.17 0.00 -1.26 0.50 103.07 106.20 1o3r h GLY 184 Ca -0.07 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 1o3r h GLY 184 CO 0.12 -0.35 -0.63 3.21 0.00 0.00 0.00 176.54 178.89 1o3r h ARG 185 N 0.42 0.54 -0.52 4.80 3.08 -1.38 -2.31 114.38 119.02 1o3r h ARG 185 Ca 0.69 -0.50 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1o3r h ARG 185 Cb 1.53 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.68 1o3r h ARG 185 CO -0.51 1.13 0.04 0.82 -1.07 0.00 0.00 179.97 180.38 1o3r h ILE 186 N 0.13 1.24 0.49 2.04 5.03 -0.10 -1.81 117.51 124.54 1o3r h ILE 186 Ca -0.06 -0.98 -0.01 0.00 -0.12 0.00 0.00 64.86 63.69 1o3r h ILE 186 Cb 1.30 0.80 -0.02 0.00 -3.03 0.00 0.00 36.82 35.87 1o3r h ILE 186 CO 0.13 0.35 -0.43 -0.07 -0.68 0.00 0.00 178.15 177.45 1o3r h LEU 187 N 0.80 -1.14 -1.11 1.44 4.07 -0.06 0.87 115.31 120.18 1o3r h LEU 187 Ca 0.16 0.09 0.23 0.00 0.08 0.00 0.00 57.88 58.44 1o3r h LEU 187 Cb 0.42 0.37 -0.11 0.00 1.08 0.00 0.00 40.66 42.42 1o3r h LEU 187 CO 0.01 -0.60 0.62 0.11 -1.08 0.00 0.00 178.44 177.50 1o3r h LYS 188 N -0.91 0.56 -0.48 1.13 1.57 -1.09 0.23 116.57 117.58 1o3r h LYS 188 Ca -0.05 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1o3r h LYS 188 Cb 0.79 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1o3r h LYS 188 CO -0.03 0.37 -0.23 0.52 -0.57 0.00 0.00 179.45 179.52 1o3r h MET 189 N 0.58 0.99 0.00 3.15 2.86 -0.51 0.59 114.93 122.59 1o3r h MET 189 Ca 0.61 -0.43 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1o3r h MET 189 Cb 1.21 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1o3r h MET 189 CO -0.40 1.10 -0.26 -0.07 1.06 0.00 0.00 176.91 178.34 1o3r h LEU 190 N 0.85 0.00 0.09 1.22 3.38 0.18 0.18 115.31 121.22 1o3r h LEU 190 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1o3r h LEU 190 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1o3r h LEU 190 CO 0.07 0.26 -0.52 -0.08 0.09 0.00 0.00 178.44 178.26 1o3r h GLU 191 N 0.00 0.19 -1.31 1.13 4.81 -0.89 0.21 114.58 118.73 1o3r h GLU 191 Ca -0.00 -0.33 0.38 0.00 -0.13 0.00 0.00 59.36 59.28 1o3r h GLU 191 Cb 0.57 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1o3r h GLU 191 CO 0.03 1.16 0.92 -0.44 -0.73 0.00 0.00 179.01 179.95 1o3r h ASP 192 N -0.60 0.08 -0.56 1.04 3.32 0.94 1.62 116.42 122.27 1o3r h ASP 192 Ca -0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1o3r h ASP 192 Cb 1.41 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1o3r h ASP 192 CO 0.10 -0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1o3r n GLN 193 N -4.24 4.02 -2.70 3.56 6.02 0.57 -4.94 117.38 119.68 1o3r n GLN 193 Ca 0.29 -2.73 -0.18 0.00 -0.01 0.00 0.00 57.00 54.37 1o3r n GLN 193 Cb 1.34 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 30.58 1o3r n GLN 193 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1o3r n ASN 194 N 0.80 -4.88 -0.06 1.08 3.02 0.55 -4.87 115.26 110.91 1o3r n ASN 194 Ca 0.24 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.62 1o3r n ASN 194 Cb 0.97 -4.06 -0.14 0.00 -0.61 0.00 0.00 39.78 35.94 1o3r n ASN 194 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1o3r n LEU 195 N -3.27 1.05 0.00 3.41 4.77 0.73 -4.91 117.00 118.79 1o3r n LEU 195 Ca -0.15 0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 1o3r n LEU 195 Cb 0.62 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1o3r n LEU 195 CO 0.32 0.55 -0.09 2.30 -1.33 0.00 0.00 177.39 179.14 1o3r n ILE 196 N -3.03 0.00 -3.34 -0.08 -5.35 -1.10 -1.78 119.36 104.69 1o3r n ILE 196 Ca -0.27 -2.35 -0.12 0.00 -0.27 0.00 0.00 62.75 59.73 1o3r n ILE 196 Cb 1.08 1.18 -0.07 0.00 -1.74 0.00 0.00 39.64 40.09 1o3r n ILE 196 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1o3r s SER 197 N -3.27 0.84 -0.13 7.28 0.15 -0.16 -4.25 113.70 114.16 1o3r s SER 197 Ca 0.39 -0.57 -0.06 0.00 0.70 0.00 0.00 55.95 56.41 1o3r s SER 197 Cb 0.02 0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 65.18 1o3r s SER 197 CO 0.27 -0.36 0.07 0.00 1.20 0.00 0.00 173.24 174.42 1o3r s ALA 198 N 2.43 3.53 -0.21 5.45 0.00 -1.26 -1.56 121.76 130.14 1o3r s ALA 198 Ca 0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1o3r s ALA 198 Cb -0.13 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.26 1o3r s ALA 198 CO -0.30 0.45 0.10 -1.01 0.00 0.00 0.00 175.76 175.00 1o3r s HIS 199 N -0.48 0.35 0.00 0.00 3.76 -0.01 -5.01 115.29 113.90 1o3r s HIS 199 Ca 0.10 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1o3r s HIS 199 Cb -0.12 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.76 1o3r s HIS 199 CO 0.02 -0.62 0.00 0.41 -0.85 0.00 0.00 174.74 173.70 1o3r n GLY 200 N 5.24 1.37 0.12 -2.22 0.00 -1.26 -2.17 105.19 106.27 1o3r n GLY 200 Ca -0.07 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.42 1o3r n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o3r n LYS 201 N 5.84 0.17 -2.95 1.61 4.01 -1.26 -4.70 118.16 120.87 1o3r n LYS 201 Ca 0.00 0.43 -0.40 0.00 -0.51 0.00 0.00 58.31 57.83 1o3r n LYS 201 Cb 0.00 -1.84 -0.04 0.00 -0.51 0.00 0.00 35.03 32.64 1o3r n LYS 201 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1o3r s THR 202 N -3.31 4.97 -0.06 -0.18 2.01 -0.92 -1.06 115.64 117.09 1o3r s THR 202 Ca 0.04 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.67 1o3r s THR 202 Cb 0.09 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1o3r s THR 202 CO 0.35 0.24 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.86 1o3r s ILE 203 N 0.77 0.49 -0.27 1.82 1.01 -0.85 -0.83 121.20 123.34 1o3r s ILE 203 Ca 0.42 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.92 1o3r s ILE 203 Cb -0.19 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 1o3r s ILE 203 CO 0.21 0.24 0.16 -0.69 0.00 0.00 0.00 174.94 174.86 1o3r s VAL 204 N 1.29 5.11 -0.41 2.92 1.01 -0.60 -1.51 120.40 128.21 1o3r s VAL 204 Ca -0.05 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1o3r s VAL 204 Cb -0.14 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1o3r s VAL 204 CO -0.02 0.28 0.50 -0.69 0.00 0.00 0.00 175.10 175.17 1o3r s VAL 205 N 1.61 5.01 0.55 2.92 1.01 0.00 -0.99 120.40 130.51 1o3r s VAL 205 Ca 0.07 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1o3r s VAL 205 Cb -0.15 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1o3r s VAL 205 CO 0.09 -0.43 1.19 -0.31 0.00 0.00 0.00 175.10 175.64 1o3r s TYR 206 N 2.35 2.55 -1.76 5.22 2.02 -0.73 -1.89 117.35 125.11 1o3r s TYR 206 Ca 0.16 1.51 0.14 0.00 -0.37 0.00 0.00 57.07 58.51 1o3r s TYR 206 Cb -0.16 -3.44 0.11 0.00 -0.40 0.00 0.00 41.96 38.07 1o3r s TYR 206 CO 0.15 -1.96 0.95 0.41 -1.57 0.00 0.00 175.55 173.53