#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9i n HIS 15 N 0.00 0.00 -3.08 4.31 8.25 -1.26 -4.97 115.22 118.47 1u9i n HIS 15 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1u9i n HIS 15 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1u9i n HIS 15 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1u9i s GLN 16 N -2.09 2.94 0.00 -0.41 -0.21 -1.26 -5.10 119.66 113.53 1u9i s GLN 16 Ca 0.24 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1u9i s GLN 16 Cb 0.19 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.53 1u9i s GLN 16 CO 0.38 -0.25 0.00 0.00 -2.12 0.00 0.00 175.29 173.30 1u9i n ALA 17 N -1.95 0.00 -3.70 6.09 0.00 -1.26 -4.97 120.51 114.72 1u9i n ALA 17 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 1u9i n ALA 17 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.87 1u9i n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1u9i s ILE 18 N 0.00 -0.16 0.21 0.00 1.09 -1.26 -5.09 121.20 115.99 1u9i s ILE 18 Ca 0.00 0.32 -0.23 0.00 -1.10 0.00 0.00 60.65 59.64 1u9i s ILE 18 Cb 0.00 -0.22 -0.08 0.00 -1.06 0.00 0.00 42.46 41.09 1u9i s ILE 18 CO 0.00 0.13 0.77 0.00 -0.10 0.00 0.00 174.94 175.75 1u9i s ALA 19 N 1.89 3.40 0.19 9.38 0.00 -1.26 -4.98 121.76 130.38 1u9i s ALA 19 Ca -0.00 0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.34 1u9i s ALA 19 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1u9i s ALA 19 CO -0.05 0.29 -0.11 0.15 0.00 0.00 0.00 175.76 176.04 1u9i s LYS 20 N -1.64 1.99 -0.16 0.00 1.02 -1.26 -1.01 119.74 118.67 1u9i s LYS 20 Ca 0.41 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.03 1u9i s LYS 20 Cb -0.20 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1u9i s LYS 20 CO 0.23 0.42 -0.01 1.41 -0.92 0.00 0.00 175.35 176.49 1u9i s MET 21 N -2.86 3.77 0.38 1.68 -2.45 0.12 -4.83 119.30 115.11 1u9i s MET 21 Ca 0.25 -0.46 -0.26 0.00 -1.25 0.00 0.00 55.69 53.96 1u9i s MET 21 Cb -0.08 -3.01 -0.09 0.00 1.25 0.00 0.00 34.83 32.90 1u9i s MET 21 CO 0.15 0.25 1.20 1.03 1.05 0.00 0.00 175.02 178.70 1u9i s ARG 22 N 0.36 4.12 -0.02 4.11 0.52 -1.23 -1.10 118.95 125.71 1u9i s ARG 22 Ca -0.02 1.93 0.20 0.00 -0.52 0.00 0.00 55.73 57.32 1u9i s ARG 22 Cb -0.14 -2.78 -0.22 0.00 0.52 0.00 0.00 34.95 32.34 1u9i s ARG 22 CO 0.02 -0.29 0.53 0.25 0.02 0.00 0.00 175.30 175.83 1u9i n THR 23 N 0.25 0.74 -1.14 0.02 -2.24 -1.26 -4.89 114.28 105.76 1u9i n THR 23 Ca 0.03 -0.65 -0.05 0.00 -2.27 0.00 0.00 64.05 61.12 1u9i n THR 23 Cb 0.45 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 1u9i n THR 23 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1u9i n MET 24 N -2.60 -1.16 -2.87 -0.78 2.81 -1.26 -4.68 117.12 106.58 1u9i n MET 24 Ca -0.12 0.55 -0.42 0.00 -1.81 0.00 0.00 57.70 55.90 1u9i n MET 24 Cb 0.79 -4.55 -0.04 0.00 -0.71 0.00 0.00 33.22 28.70 1u9i n MET 24 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1u9i s ILE 25 N -1.76 4.73 -0.39 2.02 1.01 -1.26 -4.94 121.20 120.61 1u9i s ILE 25 Ca 0.00 1.35 -0.42 0.00 0.00 0.00 0.00 60.65 61.58 1u9i s ILE 25 Cb 0.00 -4.21 -0.17 0.00 0.01 0.00 0.00 42.46 38.09 1u9i s ILE 25 CO 0.00 -0.28 1.85 1.21 0.00 0.00 0.00 174.94 177.71 1u9i n GLU 26 N 6.33 0.61 0.00 2.79 2.13 -1.26 -0.94 120.64 130.30 1u9i n GLU 26 Ca 0.06 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1u9i n GLU 26 Cb 0.48 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.31 1u9i n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u9i n GLY 27 N 5.12 2.73 0.15 8.31 0.00 -1.26 -1.82 105.19 118.43 1u9i n GLY 27 Ca 0.35 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1u9i n GLY 27 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u9i h PHE 28 N 0.00 0.41 0.00 1.61 3.57 -1.36 -2.34 116.94 118.83 1u9i h PHE 28 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1u9i h PHE 28 Cb 0.00 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 1u9i h PHE 28 CO 0.00 0.28 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.90 1u9i h ASP 29 N 0.43 0.00 0.04 0.41 3.32 -1.91 0.13 116.42 118.84 1u9i h ASP 29 Ca 0.12 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 1u9i h ASP 29 Cb -0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1u9i h ASP 29 CO -0.02 0.02 -0.88 0.44 -1.72 0.00 0.00 179.24 177.08 1u9i h ASP 30 N 0.00 0.80 0.24 6.45 3.32 -1.78 0.38 116.42 125.83 1u9i h ASP 30 Ca -0.00 -0.58 -0.19 0.00 0.02 0.00 0.00 57.03 56.28 1u9i h ASP 30 Cb 0.06 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1u9i h ASP 30 CO 0.00 1.37 -0.74 0.40 -1.72 0.00 0.00 179.24 178.55 1u9i h ILE 31 N 0.41 1.37 -0.18 0.35 1.08 -0.90 -3.10 117.51 116.55 1u9i h ILE 31 Ca -0.08 -2.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.25 1u9i h ILE 31 Cb 1.51 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.38 1u9i h ILE 31 CO 0.17 0.65 0.00 -1.54 -0.69 0.00 0.00 178.15 176.74 1u9i n SER 32 N -3.84 1.57 -3.83 1.72 3.41 0.36 -0.38 113.62 112.63 1u9i n SER 32 Ca -0.05 -1.72 -0.28 0.00 -0.26 0.00 0.00 58.87 56.56 1u9i n SER 32 Cb 0.71 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1u9i n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u9i n HIS 33 N 0.27 -1.76 0.00 7.33 8.25 -0.69 -3.54 115.22 125.08 1u9i n HIS 33 Ca 0.15 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1u9i n HIS 33 Cb 0.31 -3.63 0.00 0.00 1.12 0.00 0.00 29.99 27.78 1u9i n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u9i n GLY 34 N -1.83 1.87 0.00 -1.41 0.00 0.04 -4.97 105.19 98.88 1u9i n GLY 34 Ca -0.21 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1u9i n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 35 N 0.00 0.71 3.74 -0.02 0.00 -1.23 -3.56 105.19 104.82 1u9i n GLY 35 Ca 0.00 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1u9i n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u9i s LEU 36 N 0.00 4.52 0.23 0.99 1.43 -0.26 -4.63 118.68 120.96 1u9i s LEU 36 Ca 0.00 1.78 -0.32 0.00 -1.03 0.00 0.00 54.13 54.56 1u9i s LEU 36 Cb 0.00 -3.55 -0.13 0.00 0.03 0.00 0.00 46.19 42.55 1u9i s LEU 36 CO 0.00 -0.01 1.60 -2.65 0.23 0.00 0.00 176.35 175.52 1u9i n PRO 37 N 2.54 2.50 -2.38 1.29 -0.02 -1.26 0.11 135.00 137.78 1u9i n PRO 37 Ca 0.01 0.90 -0.37 0.00 -2.02 0.00 0.00 63.50 62.02 1u9i n PRO 37 Cb 0.49 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 1u9i n PRO 37 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u9i s ILE 38 N 0.54 3.38 0.00 4.25 1.01 -0.18 -3.48 121.20 126.71 1u9i s ILE 38 Ca 0.71 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1u9i s ILE 38 Cb -0.56 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1u9i s ILE 38 CO 0.41 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1u9i n GLY 39 N 0.40 0.60 3.72 6.18 0.00 -1.26 -4.94 105.19 109.89 1u9i n GLY 39 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1u9i n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9i s ARG 40 N -0.39 2.12 -0.09 1.61 0.52 -1.23 -4.46 118.95 117.03 1u9i s ARG 40 Ca 0.00 -2.15 0.01 0.00 -0.52 0.00 0.00 55.73 53.07 1u9i s ARG 40 Cb 0.00 -1.71 -0.02 0.00 0.52 0.00 0.00 34.95 33.73 1u9i s ARG 40 CO 0.00 -0.22 -0.10 -1.54 0.02 0.00 0.00 175.30 173.46 1u9i s SER 41 N -3.86 4.32 -0.16 0.23 1.04 -1.26 -0.48 113.70 113.54 1u9i s SER 41 Ca 0.26 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 1u9i s SER 41 Cb 0.05 -1.29 -0.02 0.00 0.10 0.00 0.00 66.02 64.86 1u9i s SER 41 CO 0.14 0.28 -0.06 -0.89 0.98 0.00 0.00 173.24 173.68 1u9i s THR 42 N -0.29 3.57 -0.02 2.02 2.01 0.11 -3.40 115.64 119.63 1u9i s THR 42 Ca 0.03 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.32 1u9i s THR 42 Cb -0.13 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1u9i s THR 42 CO 0.03 0.48 0.75 -0.22 -0.69 0.00 0.00 174.62 174.97 1u9i s LEU 43 N 0.60 4.37 -0.34 4.42 2.96 0.28 -0.42 118.68 130.55 1u9i s LEU 43 Ca -0.04 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 1u9i s LEU 43 Cb -0.15 -3.18 0.11 0.00 0.50 0.00 0.00 46.19 43.47 1u9i s LEU 43 CO 0.03 -0.09 0.12 -0.69 -1.32 0.00 0.00 176.35 174.40 1u9i s VAL 44 N 0.53 1.18 0.23 1.68 1.01 0.11 0.13 120.40 125.27 1u9i s VAL 44 Ca 0.39 -1.77 0.11 0.00 0.00 0.00 0.00 61.98 60.71 1u9i s VAL 44 Cb -0.19 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1u9i s VAL 44 CO 0.21 -0.71 -0.18 -0.94 0.00 0.00 0.00 175.10 173.48 1u9i s SER 45 N 1.25 3.73 -0.25 3.32 1.04 -0.61 -1.55 113.70 120.63 1u9i s SER 45 Ca 0.12 -0.85 -0.37 0.00 0.48 0.00 0.00 55.95 55.32 1u9i s SER 45 Cb -0.19 -0.40 0.15 0.00 0.10 0.00 0.00 66.02 65.68 1u9i s SER 45 CO -0.17 0.08 1.36 -0.83 0.98 0.00 0.00 173.24 174.65 1u9i s GLY 46 N -3.09 -0.25 1.22 7.32 0.00 -1.01 -1.24 107.32 110.28 1u9i s GLY 46 Ca 0.26 1.75 -0.15 0.00 0.00 0.00 0.00 44.72 46.58 1u9i s GLY 46 CO 0.13 0.57 1.01 -0.51 0.00 0.00 0.00 173.10 174.30 1u9i s THR 47 N -2.11 1.82 0.36 0.90 -4.23 -1.26 -2.84 115.64 108.28 1u9i s THR 47 Ca 0.12 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.35 1u9i s THR 47 Cb -0.00 -2.11 -0.12 0.00 1.34 0.00 0.00 72.50 71.61 1u9i s THR 47 CO -0.03 0.00 1.31 -0.24 -0.54 0.00 0.00 174.62 175.11 1u9i n SER 48 N -5.05 2.83 0.00 3.99 2.88 -1.26 -2.59 113.62 114.41 1u9i n SER 48 Ca 0.05 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1u9i n SER 48 Cb 0.56 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1u9i n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u9i n GLY 49 N 0.74 0.45 0.01 0.46 0.00 -1.26 -4.91 105.19 100.68 1u9i n GLY 49 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1u9i n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u9i n THR 50 N -2.71 0.04 -0.01 2.61 -2.24 -1.07 -4.94 114.28 105.95 1u9i n THR 50 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1u9i n THR 50 Cb 0.08 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1u9i n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u9i n GLY 51 N 1.49 0.99 0.37 3.38 0.00 -1.26 -4.85 105.19 105.31 1u9i n GLY 51 Ca 0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1u9i n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9i h LYS 52 N 0.79 -0.48 -0.14 1.61 1.57 -1.91 -1.72 116.57 116.28 1u9i h LYS 52 Ca 0.00 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1u9i h LYS 52 Cb 0.00 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1u9i h LYS 52 CO 0.00 -0.32 -0.26 1.15 -0.57 0.00 0.00 179.45 179.45 1u9i h THR 53 N -0.50 0.39 -0.41 -0.16 2.02 -1.95 -0.69 112.91 111.61 1u9i h THR 53 Ca 0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1u9i h THR 53 Cb 0.60 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 1u9i h THR 53 CO -0.32 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 175.38 1u9i h LEU 54 N -0.32 -1.53 -0.66 2.58 5.85 -1.90 0.26 115.31 119.59 1u9i h LEU 54 Ca 0.10 0.21 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1u9i h LEU 54 Cb 0.47 0.64 -0.11 0.00 0.37 0.00 0.00 40.66 42.03 1u9i h LEU 54 CO -0.32 -0.30 -0.49 0.15 -0.34 0.00 0.00 178.44 177.13 1u9i h PHE 55 N -0.26 -1.50 -0.91 1.25 3.57 -0.70 0.36 116.94 118.75 1u9i h PHE 55 Ca 0.07 0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.77 1u9i h PHE 55 Cb 0.45 0.75 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 1u9i h PHE 55 CO -0.76 -0.43 0.59 0.66 -2.23 0.00 0.00 178.31 176.14 1u9i h SER 56 N -0.20 0.82 -0.01 0.41 4.64 0.23 0.16 113.55 119.60 1u9i h SER 56 Ca 0.16 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1u9i h SER 56 Cb 0.54 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1u9i h SER 56 CO -0.74 0.47 -0.09 0.40 -0.87 0.00 0.00 176.83 175.99 1u9i h ILE 57 N 0.90 1.57 -0.51 0.95 1.08 0.12 -2.98 117.51 118.64 1u9i h ILE 57 Ca 0.43 -1.80 0.08 0.00 -0.39 0.00 0.00 64.86 63.17 1u9i h ILE 57 Cb 0.43 2.75 -0.03 0.00 -3.07 0.00 0.00 36.82 36.90 1u9i h ILE 57 CO -0.19 0.48 0.34 -0.61 -0.69 0.00 0.00 178.15 177.48 1u9i h GLN 58 N -0.63 0.35 -0.86 2.37 4.15 -0.06 0.27 115.11 120.69 1u9i h GLN 58 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1u9i h GLN 58 Cb 0.84 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 1u9i h GLN 58 CO 0.02 0.23 0.50 0.35 -1.93 0.00 0.00 178.83 178.00 1u9i h PHE 59 N 0.36 1.15 0.00 3.99 3.57 -0.64 -1.35 116.94 124.02 1u9i h PHE 59 Ca 0.23 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1u9i h PHE 59 Cb 0.45 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1u9i h PHE 59 CO -0.00 0.78 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.79 1u9i h LEU 60 N 1.20 -0.00 -0.34 0.59 3.38 -0.80 -3.09 115.31 116.25 1u9i h LEU 60 Ca 0.31 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1u9i h LEU 60 Cb -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1u9i h LEU 60 CO -0.05 0.81 -0.53 0.22 0.09 0.00 0.00 178.44 178.97 1u9i h TYR 61 N -1.00 -1.61 -0.79 1.13 3.20 -0.53 0.15 116.97 117.52 1u9i h TYR 61 Ca -0.00 0.08 0.12 0.00 3.14 0.00 0.00 58.73 62.07 1u9i h TYR 61 Cb 0.63 0.75 -0.08 0.00 1.54 0.00 0.00 36.73 39.56 1u9i h TYR 61 CO 0.18 -0.50 0.40 -0.91 -1.64 0.00 0.00 178.16 175.68 1u9i h ASN 62 N -0.43 0.49 -0.58 -2.11 4.21 -1.42 0.11 115.58 115.85 1u9i h ASN 62 Ca 0.07 0.08 0.11 0.00 1.21 0.00 0.00 56.30 57.78 1u9i h ASN 62 Cb 0.62 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.73 1u9i h ASN 62 CO -0.56 0.24 0.08 1.23 -1.29 0.00 0.00 177.43 177.13 1u9i h GLY 63 N 0.61 0.70 0.75 2.83 0.00 -0.68 0.63 103.07 107.91 1u9i h GLY 63 Ca 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.71 1u9i h GLY 63 CO -0.33 -0.14 -0.08 -2.22 0.00 0.00 0.00 176.54 173.78 1u9i h ILE 64 N 0.20 1.32 0.01 2.60 2.04 0.55 -1.57 117.51 122.66 1u9i h ILE 64 Ca 0.30 -1.14 -0.20 0.00 1.00 0.00 0.00 64.86 64.83 1u9i h ILE 64 Cb 0.47 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1u9i h ILE 64 CO -0.43 0.33 -0.88 0.40 0.00 0.00 0.00 178.15 177.58 1u9i h ILE 65 N -0.01 1.51 0.00 -0.67 5.03 -0.36 -2.13 117.51 120.88 1u9i h ILE 65 Ca 0.03 -2.67 0.00 0.00 -0.12 0.00 0.00 64.86 62.10 1u9i h ILE 65 Cb 0.56 2.49 0.00 0.00 -3.03 0.00 0.00 36.82 36.84 1u9i h ILE 65 CO 0.02 0.78 -1.50 -0.62 -0.68 0.00 0.00 178.15 176.15 1u9i n GLU 66 N -3.64 0.41 0.00 2.37 -0.58 0.22 -4.59 120.64 114.82 1u9i n GLU 66 Ca -0.03 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1u9i n GLU 66 Cb 0.81 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1u9i n GLU 66 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1u9i n PHE 67 N -2.01 0.00 -4.12 -0.32 3.01 -0.78 -5.01 117.46 108.24 1u9i n PHE 67 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.11 1u9i n PHE 67 Cb 0.48 0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 1u9i n PHE 67 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1u9i n ASP 68 N 0.00 -3.90 -4.56 4.37 -0.08 -0.80 -4.92 116.55 106.66 1u9i n ASP 68 Ca 0.00 -0.93 -0.40 0.00 -1.51 0.00 0.00 54.79 51.95 1u9i n ASP 68 Cb 0.49 -3.16 -0.10 0.00 2.34 0.00 0.00 41.12 40.70 1u9i n ASP 68 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1u9i s GLU 69 N -6.83 3.71 0.71 -0.67 2.02 -0.66 -4.93 118.70 112.05 1u9i s GLU 69 Ca 0.73 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 55.21 1u9i s GLU 69 Cb -0.39 -3.75 0.02 0.00 0.10 0.00 0.00 34.13 30.12 1u9i s GLU 69 CO 0.89 -0.41 1.22 -2.30 0.02 0.00 0.00 175.26 174.68 1u9i n PRO 70 N 5.28 0.71 -3.94 0.39 -0.02 -1.26 -3.05 135.00 133.10 1u9i n PRO 70 Ca -0.10 0.31 -0.12 0.00 -2.02 0.00 0.00 63.50 61.56 1u9i n PRO 70 Cb 0.50 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 1u9i n PRO 70 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1u9i s GLY 71 N -1.67 0.12 -0.20 -1.23 0.00 0.36 -1.77 107.32 102.93 1u9i s GLY 71 Ca 0.78 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 45.26 1u9i s GLY 71 CO 0.45 -0.23 -0.09 0.14 0.00 0.00 0.00 173.10 173.37 1u9i s VAL 72 N -0.45 3.00 -0.30 1.40 1.01 -0.81 -0.85 120.40 123.39 1u9i s VAL 72 Ca -0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1u9i s VAL 72 Cb -0.03 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1u9i s VAL 72 CO -0.00 0.47 0.06 0.12 0.00 0.00 0.00 175.10 175.74 1u9i s PHE 73 N 1.29 3.18 -0.18 5.22 5.36 0.07 -2.46 117.98 130.45 1u9i s PHE 73 Ca 0.03 -1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 54.55 1u9i s PHE 73 Cb -0.14 -2.22 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 1u9i s PHE 73 CO -0.05 -0.67 0.38 0.08 -1.46 0.00 0.00 175.22 173.50 1u9i s VAL 74 N 1.42 5.22 -0.14 3.12 1.01 -0.57 -0.62 120.40 129.84 1u9i s VAL 74 Ca 0.00 0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.68 1u9i s VAL 74 Cb -0.18 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1u9i s VAL 74 CO 0.01 0.29 -0.18 0.28 0.00 0.00 0.00 175.10 175.50 1u9i s THR 75 N 1.05 1.82 -0.14 3.92 -1.32 -1.12 -0.37 115.64 119.48 1u9i s THR 75 Ca 0.19 -0.82 0.21 0.00 -1.21 0.00 0.00 61.69 60.06 1u9i s THR 75 Cb -0.14 -1.64 -0.16 0.00 -1.51 0.00 0.00 72.50 69.05 1u9i s THR 75 CO 0.07 0.50 0.74 0.49 -2.21 0.00 0.00 174.62 174.21 1u9i n PHE 76 N 4.35 0.59 0.03 9.09 3.01 -1.23 -0.92 117.46 132.39 1u9i n PHE 76 Ca -0.19 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1u9i n PHE 76 Cb 0.51 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1u9i n PHE 76 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1u9i n GLU 77 N -2.59 0.00 -1.96 -1.08 2.13 -1.26 -3.79 120.64 112.08 1u9i n GLU 77 Ca -0.06 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.41 1u9i n GLU 77 Cb 0.66 -0.43 0.04 0.00 0.27 0.00 0.00 31.44 31.98 1u9i n GLU 77 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1u9i s GLU 78 N -2.00 2.93 0.13 5.31 2.02 -1.26 -4.91 118.70 120.92 1u9i s GLU 78 Ca 0.00 1.69 -0.20 0.00 0.02 0.00 0.00 54.97 56.49 1u9i s GLU 78 Cb 0.00 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.22 1u9i s GLU 78 CO 0.00 -1.20 0.63 -0.08 0.02 0.00 0.00 175.26 174.63 1u9i s THR 79 N -1.81 4.66 0.34 3.63 -1.32 -1.26 -4.84 115.64 115.04 1u9i s THR 79 Ca 0.74 1.26 0.11 0.00 -1.21 0.00 0.00 61.69 62.59 1u9i s THR 79 Cb -0.27 -3.91 0.33 0.00 -1.51 0.00 0.00 72.50 67.14 1u9i s THR 79 CO 0.34 0.45 1.79 -0.65 -2.21 0.00 0.00 174.62 174.34 1u9i h PRO 80 N 4.17 0.60 -0.25 7.08 0.11 -1.96 0.19 132.00 141.93 1u9i h PRO 80 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1u9i h PRO 80 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1u9i h PRO 80 CO 0.64 0.40 0.12 1.96 -0.21 0.00 0.00 178.00 180.92 1u9i h GLN 81 N 0.62 0.36 -0.32 1.05 1.08 -1.99 -1.54 115.11 114.36 1u9i h GLN 81 Ca 0.57 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.69 1u9i h GLN 81 Cb 1.09 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1u9i h GLN 81 CO -0.33 0.35 0.11 -0.44 -0.95 0.00 0.00 178.83 177.56 1u9i h ASP 82 N 0.28 0.46 -0.90 1.46 3.32 -1.40 0.38 116.42 120.02 1u9i h ASP 82 Ca 0.09 -0.19 0.14 0.00 0.02 0.00 0.00 57.03 57.09 1u9i h ASP 82 Cb 0.11 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.44 1u9i h ASP 82 CO -0.01 0.53 0.51 0.40 -1.72 0.00 0.00 179.24 178.94 1u9i h ILE 83 N 0.36 0.78 -0.16 0.35 1.08 -0.53 0.80 117.51 120.19 1u9i h ILE 83 Ca 0.10 -0.25 -0.16 0.00 -0.39 0.00 0.00 64.86 64.17 1u9i h ILE 83 Cb 0.23 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1u9i h ILE 83 CO -0.00 0.13 -0.51 0.40 -0.69 0.00 0.00 178.15 177.47 1u9i h ILE 84 N 0.73 1.33 -0.25 -0.67 1.08 -0.83 -2.78 117.51 116.13 1u9i h ILE 84 Ca 0.48 -1.77 0.02 0.00 -0.39 0.00 0.00 64.86 63.20 1u9i h ILE 84 Cb 0.64 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 1u9i h ILE 84 CO -0.34 0.55 0.11 0.50 -0.69 0.00 0.00 178.15 178.28 1u9i h LYS 85 N 0.29 0.22 -0.43 2.37 1.63 0.15 -2.94 116.57 117.86 1u9i h LYS 85 Ca -0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1u9i h LYS 85 Cb 1.14 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 1u9i h LYS 85 CO 0.11 0.15 0.24 -0.91 -3.45 0.00 0.00 179.45 175.59 1u9i h ASN 86 N 0.23 0.52 -0.55 4.20 2.35 0.49 -2.68 115.58 120.14 1u9i h ASN 86 Ca 0.10 -0.07 0.16 0.00 -0.55 0.00 0.00 56.30 55.94 1u9i h ASN 86 Cb 0.05 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1u9i h ASN 86 CO -0.09 0.44 0.49 0.00 -1.65 0.00 0.00 177.43 176.63 1u9i h ALA 87 N 1.10 2.36 0.00 -0.83 0.00 -1.31 0.11 119.26 120.70 1u9i h ALA 87 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1u9i h ALA 87 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u9i h ALA 87 CO -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1u9i h ARG 88 N 0.00 0.00 -0.19 0.00 3.08 -1.45 -1.14 114.38 114.68 1u9i h ARG 88 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1u9i h ARG 88 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1u9i h ARG 88 CO -0.00 0.00 0.12 1.03 -1.07 0.00 0.00 179.97 180.05 1u9i h SER 89 N 0.00 0.22 -0.44 7.04 0.87 -0.94 -1.83 113.55 118.47 1u9i h SER 89 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1u9i h SER 89 Cb 0.09 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1u9i h SER 89 CO 0.00 0.17 0.00 0.49 -0.53 0.00 0.00 176.83 176.96 1u9i n PHE 90 N -4.50 0.58 -2.36 2.24 3.01 -0.45 -4.78 117.46 111.21 1u9i n PHE 90 Ca -0.00 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.10 1u9i n PHE 90 Cb 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1u9i n PHE 90 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u9i n GLY 91 N 1.23 0.92 3.23 1.37 0.00 -0.69 -4.72 105.19 106.54 1u9i n GLY 91 Ca 0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 1u9i n GLY 91 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1u9i s TRP 92 N -2.88 1.74 -0.66 1.61 0.23 -1.11 -5.01 118.94 112.86 1u9i s TRP 92 Ca 0.00 -0.36 0.01 0.00 -2.03 0.00 0.00 56.10 53.72 1u9i s TRP 92 Cb 0.00 -1.06 0.16 0.00 0.03 0.00 0.00 33.47 32.60 1u9i s TRP 92 CO 0.00 0.05 0.46 0.34 0.96 0.00 0.00 176.95 178.76 1u9i s ASP 93 N -0.97 5.03 0.31 2.95 2.15 -1.26 -3.66 116.67 121.22 1u9i s ASP 93 Ca 0.07 -3.25 0.08 0.00 0.43 0.00 0.00 52.55 49.88 1u9i s ASP 93 Cb -0.08 -1.76 0.51 0.00 -0.30 0.00 0.00 42.92 41.29 1u9i s ASP 93 CO 0.01 -0.24 1.72 -0.07 -0.17 0.00 0.00 175.17 176.42 1u9i h LEU 94 N 6.38 0.16 -0.83 -1.34 3.38 -1.95 -2.85 115.31 118.26 1u9i h LEU 94 Ca 0.03 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1u9i h LEU 94 Cb 0.87 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 1u9i h LEU 94 CO 0.73 0.57 0.45 0.00 0.09 0.00 0.00 178.44 180.27 1u9i h ALA 95 N 1.44 1.20 0.06 1.53 0.00 -1.90 0.24 119.26 121.83 1u9i h ALA 95 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u9i h ALA 95 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1u9i h ALA 95 CO 0.06 -0.00 -0.03 -0.22 0.00 0.00 0.00 179.25 179.06 1u9i h LYS 96 N 0.70 -0.07 -0.00 0.00 3.64 -1.93 -2.45 116.57 116.45 1u9i h LYS 96 Ca 0.42 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1u9i h LYS 96 Cb 0.49 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1u9i h LYS 96 CO -0.30 0.10 0.00 -0.07 -2.27 0.00 0.00 179.45 176.91 1u9i h LEU 97 N -0.24 0.00 -0.40 5.20 3.38 -1.18 -0.68 115.31 121.40 1u9i h LEU 97 Ca -0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1u9i h LEU 97 Cb 0.21 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1u9i h LEU 97 CO 0.01 0.00 -0.12 0.58 0.09 0.00 0.00 178.44 179.01 1u9i h VAL 98 N 0.00 1.28 0.21 1.22 2.07 -0.27 -0.97 116.25 119.79 1u9i h VAL 98 Ca 0.00 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1u9i h VAL 98 Cb 0.00 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1u9i h VAL 98 CO -0.00 0.41 -0.10 0.44 0.02 0.00 0.00 177.57 178.34 1u9i h ASP 99 N 0.59 -0.24 0.00 0.57 3.32 -0.78 -1.68 116.42 118.20 1u9i h ASP 99 Ca 0.10 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1u9i h ASP 99 Cb 0.65 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1u9i h ASP 99 CO 0.04 -0.08 0.00 -0.62 -1.72 0.00 0.00 179.24 176.86 1u9i n GLU 100 N -5.17 0.25 -1.94 3.56 1.02 -0.38 -4.80 120.64 113.18 1u9i n GLU 100 Ca -0.09 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.87 1u9i n GLU 100 Cb 0.17 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 1u9i n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u9i n GLY 101 N -0.38 0.68 0.09 0.62 0.00 -0.63 -4.82 105.19 100.75 1u9i n GLY 101 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1u9i n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u9i n LYS 102 N -2.55 0.62 -4.39 1.61 4.76 -0.41 -4.88 118.16 112.93 1u9i n LYS 102 Ca -0.20 0.19 -0.20 0.00 -2.87 0.00 0.00 58.31 55.23 1u9i n LYS 102 Cb 0.63 -1.79 -0.15 0.00 -1.84 0.00 0.00 35.03 31.87 1u9i n LYS 102 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1u9i s LEU 103 N -5.66 1.82 -0.10 -0.35 2.96 -0.98 -0.49 118.68 115.88 1u9i s LEU 103 Ca -0.03 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1u9i s LEU 103 Cb 0.09 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.26 1u9i s LEU 103 CO 0.81 0.07 -0.09 0.12 -1.32 0.00 0.00 176.35 175.94 1u9i s PHE 104 N 0.14 1.50 -0.43 5.38 5.36 -0.03 -3.97 117.98 125.92 1u9i s PHE 104 Ca -0.02 -0.71 -0.18 0.00 -0.96 0.00 0.00 56.93 55.06 1u9i s PHE 104 Cb -0.08 -1.20 0.03 0.00 -0.34 0.00 0.00 43.02 41.43 1u9i s PHE 104 CO 0.00 -0.46 0.48 0.42 -1.46 0.00 0.00 175.22 174.21 1u9i s ILE 105 N 1.42 5.04 -0.90 3.12 -1.09 -1.26 -0.75 121.20 126.78 1u9i s ILE 105 Ca -0.00 -0.32 -0.19 0.00 -2.23 0.00 0.00 60.65 57.90 1u9i s ILE 105 Cb -0.13 -4.09 0.12 0.00 -1.58 0.00 0.00 42.46 36.78 1u9i s ILE 105 CO -0.05 -0.49 1.11 -0.22 -1.23 0.00 0.00 174.94 174.06 1u9i s LEU 106 N 2.26 4.94 -0.19 2.97 2.96 0.21 -4.97 118.68 126.87 1u9i s LEU 106 Ca 0.14 -1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 51.85 1u9i s LEU 106 Cb -0.17 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 1u9i s LEU 106 CO 0.14 -1.12 2.14 -0.62 -1.32 0.00 0.00 176.35 175.57 1u9i s ASP 107 N 3.68 5.65 -0.04 3.68 -1.08 -1.26 -2.79 116.67 124.52 1u9i s ASP 107 Ca 0.32 1.95 0.06 0.00 -0.52 0.00 0.00 52.55 54.35 1u9i s ASP 107 Cb -0.06 -2.51 0.09 0.00 -1.46 0.00 0.00 42.92 38.97 1u9i s ASP 107 CO -0.07 -1.80 1.03 0.00 0.52 0.00 0.00 175.17 174.85 1u9i n ALA 108 N 10.93 2.05 -1.77 3.66 0.00 -0.09 -4.96 120.51 130.33 1u9i n ALA 108 Ca 0.28 -1.47 -0.40 0.00 0.00 0.00 0.00 53.44 51.85 1u9i n ALA 108 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 1u9i n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u9i s SER 109 N -1.53 6.94 0.95 0.00 1.04 -0.97 -4.68 113.70 115.45 1u9i s SER 109 Ca 0.09 2.45 -0.11 0.00 0.48 0.00 0.00 55.95 58.87 1u9i s SER 109 Cb 0.08 -2.63 0.16 0.00 0.10 0.00 0.00 66.02 63.73 1u9i s SER 109 CO 0.01 -0.40 1.11 -2.84 0.98 0.00 0.00 173.24 172.10 1u9i s PRO 110 N -1.74 0.77 -0.19 4.02 0.02 -1.25 -5.00 135.00 131.62 1u9i s PRO 110 Ca 0.48 1.25 -0.08 0.00 0.02 0.00 0.00 61.00 62.67 1u9i s PRO 110 Cb -0.35 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1u9i s PRO 110 CO 0.45 -2.71 0.09 0.34 -0.33 0.00 0.00 177.00 174.85 1u9i s ASP 111 N -2.82 5.88 0.00 2.53 2.15 -1.26 -4.96 116.67 118.19 1u9i s ASP 111 Ca 0.66 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.79 1u9i s ASP 111 Cb -0.22 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1u9i s ASP 111 CO 0.59 0.18 0.00 -2.65 -0.17 0.00 0.00 175.17 173.12 1u9i n PRO 112 N 3.49 0.00 -1.74 4.34 -0.02 -1.26 -3.36 135.00 136.45 1u9i n PRO 112 Ca -0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.00 1u9i n PRO 112 Cb 0.52 -0.87 0.05 0.00 -0.02 0.00 0.00 33.50 33.18 1u9i n PRO 112 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u9i n GLU 113 N 0.18 3.06 0.00 -0.52 -0.58 -1.26 -5.06 120.64 116.45 1u9i n GLU 113 Ca 0.00 -3.71 0.00 0.00 -0.42 0.00 0.00 57.16 53.03 1u9i n GLU 113 Cb 0.00 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.59 1u9i n GLU 113 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u9i n GLY 114 N -0.76 1.33 1.52 0.62 0.00 -1.21 -4.96 105.19 101.72 1u9i n GLY 114 Ca 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.41 1u9i n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u9i n GLN 115 N 11.05 -1.62 0.00 1.61 7.27 -1.26 -4.87 117.38 129.56 1u9i n GLN 115 Ca 0.00 1.52 0.00 0.00 0.07 0.00 0.00 57.00 58.59 1u9i n GLN 115 Cb 0.00 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 30.71 1u9i n GLN 115 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1u9i n GLU 116 N 0.57 3.80 -0.69 3.69 1.02 -1.26 -4.66 120.64 123.12 1u9i n GLU 116 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1u9i n GLU 116 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 1u9i n GLU 116 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1u9i n VAL 117 N 0.00 0.00 1.09 2.62 0.31 -1.26 -4.75 118.33 116.35 1u9i n VAL 117 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1u9i n VAL 117 Cb 0.00 -0.17 0.17 0.00 -0.91 0.00 0.00 33.84 32.93 1u9i n VAL 117 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1u9i n VAL 118 N -2.00 0.00 1.09 2.52 0.31 -1.26 -4.21 118.33 114.77 1u9i n VAL 118 Ca 0.00 -0.43 0.10 0.00 -0.01 0.00 0.00 64.34 63.99 1u9i n VAL 118 Cb 0.00 1.29 0.54 0.00 -0.91 0.00 0.00 33.84 34.76 1u9i n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u9i n GLY 119 N 1.32 -0.77 0.09 2.92 0.00 -1.26 -3.12 105.19 104.38 1u9i n GLY 119 Ca 0.14 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1u9i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 120 N 0.30 -0.28 0.00 -0.02 0.00 -1.26 -4.42 105.19 99.51 1u9i n GLY 120 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1u9i n GLY 120 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u9i n PHE 121 N -3.00 0.00 0.00 1.61 3.01 -1.18 -4.67 117.46 113.22 1u9i n PHE 121 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1u9i n PHE 121 Cb 0.85 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 1u9i n PHE 121 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1u9i n ASP 122 N -0.63 -0.08 0.00 4.37 9.92 -1.25 -2.81 116.55 126.06 1u9i n ASP 122 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1u9i n ASP 122 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1u9i n ASP 122 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1u9i n LEU 123 N 0.00 0.00 -0.15 0.64 4.77 -1.26 0.03 117.00 121.04 1u9i n LEU 123 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1u9i n LEU 123 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1u9i n LEU 123 CO 0.00 0.00 0.20 -1.54 -1.33 0.00 0.00 177.39 174.72 1u9i n SER 124 N 0.00 -0.30 0.03 -1.43 3.41 -1.26 0.18 113.62 114.25 1u9i n SER 124 Ca 0.00 0.64 -0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1u9i n SER 124 Cb 0.00 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 1u9i n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u9i h ALA 125 N 0.36 0.48 -0.09 7.33 0.00 -0.23 -3.35 119.26 123.77 1u9i h ALA 125 Ca 0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.74 1u9i h ALA 125 Cb 0.19 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1u9i h ALA 125 CO -0.35 1.34 -0.10 1.25 0.00 0.00 0.00 179.25 181.38 1u9i h LEU 126 N 0.03 0.24 -1.13 0.00 5.85 -0.38 -2.99 115.31 116.92 1u9i h LEU 126 Ca -0.23 -0.50 0.29 0.00 0.84 0.00 0.00 57.88 58.29 1u9i h LEU 126 Cb 1.97 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.81 1u9i h LEU 126 CO 0.12 0.69 0.63 0.40 -0.34 0.00 0.00 178.44 179.94 1u9i h ILE 127 N -0.20 0.42 -0.31 4.05 2.04 0.18 0.47 117.51 124.15 1u9i h ILE 127 Ca 0.01 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.56 1u9i h ILE 127 Cb 0.62 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1u9i h ILE 127 CO 0.02 0.07 -0.48 -0.33 0.00 0.00 0.00 178.15 177.44 1u9i h GLU 128 N 0.40 0.85 -0.47 2.37 5.08 -1.67 -1.70 114.58 119.44 1u9i h GLU 128 Ca 0.68 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1u9i h GLU 128 Cb 1.57 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.83 1u9i h GLU 128 CO -0.47 1.13 0.26 0.00 -1.00 0.00 0.00 179.01 178.94 1u9i h ARG 129 N 0.67 0.51 -0.21 2.33 3.08 0.04 0.30 114.38 121.10 1u9i h ARG 129 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1u9i h ARG 129 Cb 1.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1u9i h ARG 129 CO 0.11 0.33 0.04 0.82 -1.07 0.00 0.00 179.97 180.20 1u9i h ILE 130 N 0.52 1.22 -0.91 2.04 2.04 -1.24 -2.40 117.51 118.77 1u9i h ILE 130 Ca 0.20 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.44 1u9i h ILE 130 Cb 0.06 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 1u9i h ILE 130 CO -0.11 0.22 0.55 -1.13 0.00 0.00 0.00 178.15 177.68 1u9i h ASN 131 N 0.15 0.81 0.60 1.72 -1.24 -0.93 0.14 115.58 116.83 1u9i h ASN 131 Ca 0.06 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1u9i h ASN 131 Cb 0.30 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1u9i h ASN 131 CO 0.00 0.46 -0.46 0.22 -1.29 0.00 0.00 177.43 176.36 1u9i h TYR 132 N 0.91 -1.25 -0.59 0.67 3.20 -0.67 -2.12 116.97 117.13 1u9i h TYR 132 Ca 0.44 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.38 1u9i h TYR 132 Cb 0.38 0.47 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 1u9i h TYR 132 CO -0.03 -0.66 0.26 0.00 -1.64 0.00 0.00 178.16 176.09 1u9i h ALA 133 N -0.84 0.76 -0.70 1.82 0.00 -0.84 0.32 119.26 119.78 1u9i h ALA 133 Ca -0.07 0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1u9i h ALA 133 Cb 0.86 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1u9i h ALA 133 CO 0.02 -0.13 0.35 0.82 0.00 0.00 0.00 179.25 180.31 1u9i h ILE 134 N 0.47 0.86 -0.04 0.00 2.04 -0.62 -0.19 117.51 120.04 1u9i h ILE 134 Ca 0.28 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1u9i h ILE 134 Cb 0.28 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1u9i h ILE 134 CO -0.24 0.11 -0.08 1.56 0.00 0.00 0.00 178.15 179.50 1u9i h GLN 135 N 0.60 0.13 -0.27 2.37 4.20 -0.63 0.60 115.11 122.11 1u9i h GLN 135 Ca 0.34 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 59.03 1u9i h GLN 135 Cb 0.34 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1u9i h GLN 135 CO -0.26 0.66 0.19 -0.22 -0.67 0.00 0.00 178.83 178.53 1u9i h LYS 136 N -0.39 0.10 -0.10 1.46 3.64 0.03 -2.54 116.57 118.78 1u9i h LYS 136 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u9i h LYS 136 Cb 0.65 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1u9i h LYS 136 CO 0.02 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.93 1u9i n TYR 137 N -4.48 0.13 -3.51 1.91 4.02 -0.12 -4.99 117.16 110.12 1u9i n TYR 137 Ca 0.03 -0.16 -0.19 0.00 -0.01 0.00 0.00 57.90 57.57 1u9i n TYR 137 Cb 0.27 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.65 1u9i n TYR 137 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1u9i n ARG 138 N 0.46 -5.30 -2.27 -0.72 1.74 0.35 -4.72 116.66 106.19 1u9i n ARG 138 Ca 0.07 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.50 1u9i n ARG 138 Cb 0.28 -5.56 -0.03 0.00 -1.02 0.00 0.00 32.46 26.13 1u9i n ARG 138 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u9i s ALA 139 N -3.47 3.47 -0.09 7.54 0.00 0.18 -4.24 121.76 125.14 1u9i s ALA 139 Ca 0.07 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.18 1u9i s ALA 139 Cb -0.01 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1u9i s ALA 139 CO 0.76 -0.44 -0.02 0.54 0.00 0.00 0.00 175.76 176.60 1u9i n ARG 140 N 1.23 1.72 -4.86 0.00 5.12 -0.73 -4.92 116.66 114.24 1u9i n ARG 140 Ca 0.01 0.02 -0.31 0.00 -1.93 0.00 0.00 57.85 55.63 1u9i n ARG 140 Cb 0.43 -1.22 -0.14 0.00 -1.16 0.00 0.00 32.46 30.38 1u9i n ARG 140 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1u9i s ARG 141 N -2.21 2.15 -0.06 5.56 0.52 -1.13 -2.71 118.95 121.08 1u9i s ARG 141 Ca -0.08 -0.92 -0.05 0.00 -0.52 0.00 0.00 55.73 54.17 1u9i s ARG 141 Cb 0.03 -2.19 0.02 0.00 0.52 0.00 0.00 34.95 33.34 1u9i s ARG 141 CO 0.31 0.56 0.16 0.08 0.02 0.00 0.00 175.30 176.43 1u9i s VAL 142 N -0.81 -0.01 -0.04 3.52 1.01 -0.57 -1.93 120.40 121.57 1u9i s VAL 142 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1u9i s VAL 142 Cb -0.10 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.07 1u9i s VAL 142 CO 0.03 0.02 0.03 -0.94 0.00 0.00 0.00 175.10 174.24 1u9i s SER 143 N 0.43 0.71 -0.34 3.32 1.04 -1.03 0.37 113.70 118.20 1u9i s SER 143 Ca -0.03 0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1u9i s SER 143 Cb -0.04 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.90 1u9i s SER 143 CO -0.02 -0.17 0.18 -0.63 0.98 0.00 0.00 173.24 173.58 1u9i s ILE 144 N 1.53 4.62 -0.29 -1.02 1.01 0.45 -1.52 121.20 125.99 1u9i s ILE 144 Ca -0.03 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 1u9i s ILE 144 Cb -0.13 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1u9i s ILE 144 CO -0.03 -0.05 1.00 -0.62 0.00 0.00 0.00 174.94 175.24 1u9i s ASP 145 N 1.60 6.92 -0.73 3.58 3.68 0.50 -1.49 116.67 130.73 1u9i s ASP 145 Ca 0.04 1.07 -0.03 0.00 2.13 0.00 0.00 52.55 55.75 1u9i s ASP 145 Cb -0.18 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 1u9i s ASP 145 CO 0.07 -0.76 0.66 -1.54 0.13 0.00 0.00 175.17 173.73 1u9i n SER 146 N 6.56 -6.81 0.26 -0.34 3.41 -1.15 -3.50 113.62 112.04 1u9i n SER 146 Ca 0.10 -0.30 0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1u9i n SER 146 Cb 0.47 -4.04 0.65 0.00 -0.26 0.00 0.00 64.21 61.02 1u9i n SER 146 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1u9i h VAL 147 N 0.44 0.35 -0.47 -3.33 -1.51 -1.66 -2.79 116.25 107.28 1u9i h VAL 147 Ca -0.22 -0.71 0.09 0.00 -1.23 0.00 0.00 66.70 64.62 1u9i h VAL 147 Cb 1.14 1.53 -0.08 0.00 -2.13 0.00 0.00 31.29 31.76 1u9i h VAL 147 CO 0.31 0.11 0.01 0.74 -1.23 0.00 0.00 177.57 177.51 1u9i h THR 148 N 0.00 0.65 -0.04 7.19 2.02 -1.90 -1.17 112.91 119.66 1u9i h THR 148 Ca -0.00 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1u9i h THR 148 Cb 0.52 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1u9i h THR 148 CO 0.02 0.02 0.08 0.77 0.37 0.00 0.00 175.52 176.78 1u9i h SER 149 N 0.12 0.00 0.52 4.18 4.64 -1.86 -2.85 113.55 118.30 1u9i h SER 149 Ca 0.23 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 1u9i h SER 149 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1u9i h SER 149 CO -0.38 0.00 -0.25 1.62 -0.87 0.00 0.00 176.83 176.95 1u9i h VAL 150 N 0.00 0.00 -0.01 0.95 3.04 -1.36 -2.98 116.25 115.89 1u9i h VAL 150 Ca 0.02 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1u9i h VAL 150 Cb 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.46 1u9i h VAL 150 CO -0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.78 1u9i n PHE 151 N -4.28 0.02 0.86 3.17 1.16 -1.20 -3.51 117.46 113.67 1u9i n PHE 151 Ca -0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 57.45 55.48 1u9i n PHE 151 Cb 0.28 -0.03 0.01 0.00 -1.61 0.00 0.00 39.48 38.13 1u9i n PHE 151 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1u9i n GLN 152 N -0.35 1.04 -0.07 3.97 1.13 -1.08 -3.33 117.38 118.68 1u9i n GLN 152 Ca 0.00 -0.10 -0.14 0.00 -1.94 0.00 0.00 57.00 54.82 1u9i n GLN 152 Cb 0.07 -1.04 -0.14 0.00 0.11 0.00 0.00 30.24 29.24 1u9i n GLN 152 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u9i n GLN 153 N 0.50 0.68 0.00 -1.09 6.02 -1.23 -4.94 117.38 117.32 1u9i n GLN 153 Ca 0.02 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1u9i n GLN 153 Cb 0.54 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1u9i n GLN 153 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1u9i n TYR 154 N -3.11 0.00 -4.34 1.08 0.18 -1.21 -5.19 117.16 104.57 1u9i n TYR 154 Ca -0.33 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.21 1u9i n TYR 154 Cb 1.06 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.94 1u9i n TYR 154 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1u9i s ASP 155 N 0.00 4.19 0.24 9.48 1.01 -1.22 -5.14 116.67 125.23 1u9i s ASP 155 Ca 0.00 -0.89 0.08 0.00 0.71 0.00 0.00 52.55 52.44 1u9i s ASP 155 Cb 0.00 -0.58 -0.04 0.00 1.01 0.00 0.00 42.92 43.31 1u9i s ASP 155 CO 0.00 -0.12 0.12 0.00 0.21 0.00 0.00 175.17 175.38 1u9i s ALA 156 N -2.46 3.44 0.33 5.23 0.00 -1.26 -4.99 121.76 122.05 1u9i s ALA 156 Ca 0.33 -1.46 0.12 0.00 0.00 0.00 0.00 51.96 50.95 1u9i s ALA 156 Cb -0.03 -1.13 1.03 0.00 0.00 0.00 0.00 23.12 22.98 1u9i s ALA 156 CO 0.19 0.29 1.64 0.66 0.00 0.00 0.00 175.76 178.54 1u9i h SER 157 N 1.77 0.31 -0.03 0.00 4.64 -2.00 -0.89 113.55 117.36 1u9i h SER 157 Ca -0.47 0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1u9i h SER 157 Cb 1.24 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1u9i h SER 157 CO 0.61 -0.20 0.01 0.77 -0.87 0.00 0.00 176.83 177.14 1u9i h SER 158 N 0.23 0.04 -0.50 4.97 4.64 -1.95 -2.28 113.55 118.69 1u9i h SER 158 Ca 0.70 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.88 1u9i h SER 158 Cb 1.61 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 1u9i h SER 158 CO -0.66 0.17 0.30 0.58 -0.87 0.00 0.00 176.83 176.34 1u9i h VAL 159 N -0.10 1.16 -0.17 0.95 2.07 -1.58 -2.00 116.25 116.58 1u9i h VAL 159 Ca 0.01 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1u9i h VAL 159 Cb 0.14 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1u9i h VAL 159 CO -0.00 0.17 -0.40 0.58 0.02 0.00 0.00 177.57 177.94 1u9i h VAL 160 N 0.71 1.30 -0.50 2.57 2.07 -1.27 -2.74 116.25 118.40 1u9i h VAL 160 Ca 0.19 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 1u9i h VAL 160 Cb -0.00 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1u9i h VAL 160 CO -0.03 0.47 0.03 -0.09 0.02 0.00 0.00 177.57 177.96 1u9i h ARG 161 N 0.31 0.87 0.36 1.57 2.43 -0.77 -1.30 114.38 117.85 1u9i h ARG 161 Ca 0.03 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1u9i h ARG 161 Cb 0.84 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1u9i h ARG 161 CO 0.07 0.89 -0.17 0.00 -1.51 0.00 0.00 179.97 179.24 1u9i h ARG 162 N 0.73 -0.46 -0.60 0.20 3.08 -1.48 -0.99 114.38 114.86 1u9i h ARG 162 Ca 0.15 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.35 1u9i h ARG 162 Cb 0.48 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.54 1u9i h ARG 162 CO 0.02 -0.17 0.08 0.93 -1.07 0.00 0.00 179.97 179.76 1u9i h GLU 163 N -0.74 0.20 0.27 0.04 4.39 -1.48 0.23 114.58 117.48 1u9i h GLU 163 Ca -0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1u9i h GLU 163 Cb 0.51 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1u9i h GLU 163 CO 0.08 0.13 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.86 1u9i h LEU 164 N 0.20 -0.31 -1.11 1.33 3.38 -1.21 -1.48 115.31 116.12 1u9i h LEU 164 Ca 0.32 -0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.39 1u9i h LEU 164 Cb 0.50 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 1u9i h LEU 164 CO -0.45 -0.09 0.61 0.15 0.09 0.00 0.00 178.44 178.76 1u9i h PHE 165 N -0.52 0.97 0.40 1.13 3.57 -0.42 0.21 116.94 122.28 1u9i h PHE 165 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1u9i h PHE 165 Cb 0.38 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1u9i h PHE 165 CO -0.02 0.22 -0.19 -0.09 -2.23 0.00 0.00 178.31 176.00 1u9i h ARG 166 N 0.70 -0.51 -0.46 1.11 2.43 -0.32 -2.03 114.38 115.30 1u9i h ARG 166 Ca 0.56 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.84 1u9i h ARG 166 Cb 0.96 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 1u9i h ARG 166 CO -0.34 -0.22 0.10 1.25 -1.51 0.00 0.00 179.97 179.25 1u9i h LEU 167 N -0.78 0.02 -0.02 3.80 5.85 -0.18 -1.16 115.31 122.84 1u9i h LEU 167 Ca -0.05 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1u9i h LEU 167 Cb 0.53 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1u9i h LEU 167 CO 0.09 0.04 0.01 0.58 -0.34 0.00 0.00 178.44 178.82 1u9i h VAL 168 N 0.24 1.13 -0.31 1.05 2.07 -1.05 -2.35 116.25 117.02 1u9i h VAL 168 Ca 0.23 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1u9i h VAL 168 Cb 0.28 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1u9i h VAL 168 CO -0.29 0.10 -0.09 0.00 0.02 0.00 0.00 177.57 177.31 1u9i h ALA 169 N 0.85 0.18 -0.08 1.67 0.00 -1.04 0.56 119.26 121.41 1u9i h ALA 169 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1u9i h ALA 169 Cb 0.16 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1u9i h ALA 169 CO -0.00 -0.48 0.05 0.00 0.00 0.00 0.00 179.25 178.82 1u9i h ARG 170 N -0.02 0.10 -0.10 0.00 2.47 -1.21 -0.09 114.38 115.53 1u9i h ARG 170 Ca 0.15 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.89 1u9i h ARG 170 Cb 0.25 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1u9i h ARG 170 CO -0.33 0.09 0.08 -0.07 0.56 0.00 0.00 179.97 180.30 1u9i h LEU 171 N 0.09 0.00 -0.17 3.04 3.38 -1.05 -0.08 115.31 120.53 1u9i h LEU 171 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1u9i h LEU 171 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1u9i h LEU 171 CO -0.01 0.00 -0.39 0.50 0.09 0.00 0.00 178.44 178.64 1u9i h LYS 172 N 0.00 0.55 -0.57 1.13 3.64 0.15 -2.35 116.57 119.12 1u9i h LYS 172 Ca 0.05 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1u9i h LYS 172 Cb 0.21 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1u9i h LYS 172 CO -0.00 0.99 0.37 1.96 -2.27 0.00 0.00 179.45 180.50 1u9i h GLN 173 N 0.20 0.76 0.00 1.90 4.20 0.26 0.18 115.11 122.61 1u9i h GLN 173 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1u9i h GLN 173 Cb 1.00 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1u9i h GLN 173 CO 0.08 0.51 0.00 -0.89 -0.67 0.00 0.00 178.83 177.86 1u9i n ILE 174 N -4.68 1.17 -1.71 2.54 2.08 -0.17 -4.86 119.36 113.73 1u9i n ILE 174 Ca 0.04 0.44 -0.12 0.00 0.56 0.00 0.00 62.75 63.67 1u9i n ILE 174 Cb 0.03 -1.37 -0.03 0.00 -0.75 0.00 0.00 39.64 37.51 1u9i n ILE 174 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u9i n GLY 175 N -0.70 0.69 3.85 7.39 0.00 0.64 -5.02 105.19 112.05 1u9i n GLY 175 Ca 0.01 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1u9i n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i s ALA 176 N -2.49 3.64 -0.44 4.61 0.00 -0.96 -4.35 121.76 121.76 1u9i s ALA 176 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 1u9i s ALA 176 Cb 0.00 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.72 1u9i s ALA 176 CO 0.00 0.50 0.69 0.99 0.00 0.00 0.00 175.76 177.93 1u9i s THR 177 N -1.40 4.77 0.09 0.00 2.01 -1.10 -3.66 115.64 116.35 1u9i s THR 177 Ca 0.35 0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.60 1u9i s THR 177 Cb -0.15 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1u9i s THR 177 CO 0.18 -0.64 -0.04 -0.89 -0.69 0.00 0.00 174.62 172.55 1u9i s THR 178 N 2.96 3.78 -0.23 -0.82 2.01 0.37 -1.52 115.64 122.20 1u9i s THR 178 Ca 0.25 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1u9i s THR 178 Cb -0.14 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.63 1u9i s THR 178 CO 0.20 0.14 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.45 1u9i s VAL 179 N -1.25 2.26 -0.21 3.82 1.01 0.16 0.10 120.40 126.28 1u9i s VAL 179 Ca 0.24 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1u9i s VAL 179 Cb -0.11 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1u9i s VAL 179 CO 0.16 0.22 0.04 -0.04 0.00 0.00 0.00 175.10 175.49 1u9i s MET 180 N 1.21 3.72 -0.04 2.72 -1.94 0.44 -0.41 119.30 125.00 1u9i s MET 180 Ca -0.02 -0.46 -0.14 0.00 -1.71 0.00 0.00 55.69 53.35 1u9i s MET 180 Cb -0.17 -3.21 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 1u9i s MET 180 CO -0.08 -0.00 0.38 0.99 -0.01 0.00 0.00 175.02 176.31 1u9i s THR 181 N 1.08 5.11 0.14 2.05 2.01 -0.56 0.07 115.64 125.55 1u9i s THR 181 Ca 0.03 0.78 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1u9i s THR 181 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1u9i s THR 181 CO 0.03 0.53 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.58 1u9i s THR 182 N -0.70 0.60 0.16 -0.82 2.01 -0.60 -2.30 115.64 113.98 1u9i s THR 182 Ca 0.23 -1.95 0.10 0.00 0.31 0.00 0.00 61.69 60.38 1u9i s THR 182 Cb -0.16 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1u9i s THR 182 CO 0.11 -0.64 -0.21 -1.83 -0.69 0.00 0.00 174.62 171.36 1u9i s GLU 183 N -3.90 1.63 0.36 4.92 -1.05 -1.26 -2.40 118.70 117.00 1u9i s GLU 183 Ca 0.19 -1.38 0.03 0.00 -0.15 0.00 0.00 54.97 53.66 1u9i s GLU 183 Cb 0.06 -1.96 -0.04 0.00 -0.44 0.00 0.00 34.13 31.75 1u9i s GLU 183 CO -0.00 0.43 0.10 1.03 0.95 0.00 0.00 175.26 177.77 1u9i s ARG 184 N -2.47 1.78 0.00 -4.83 0.52 -1.13 -2.47 118.95 110.35 1u9i s ARG 184 Ca 0.19 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 1u9i s ARG 184 Cb -0.09 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.70 1u9i s ARG 184 CO 0.10 -0.35 0.00 -0.89 0.02 0.00 0.00 175.30 174.18 1u9i n ILE 185 N -0.79 0.00 -4.85 1.52 -0.00 -1.26 -4.21 119.36 109.78 1u9i n ILE 185 Ca -0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.38 1u9i n ILE 185 Cb 0.66 -0.06 -0.15 0.00 -0.00 0.00 0.00 39.64 40.10 1u9i n ILE 185 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1u9i s GLU 186 N -1.73 3.26 0.53 0.38 -6.30 -1.26 -5.01 118.70 108.57 1u9i s GLU 186 Ca 0.00 -0.71 0.18 0.00 -2.50 0.00 0.00 54.97 51.94 1u9i s GLU 186 Cb 0.00 -2.57 1.32 0.00 0.00 0.00 0.00 34.13 32.89 1u9i s GLU 186 CO 0.00 0.25 2.15 1.49 0.02 0.00 0.00 175.26 179.17 1u9i h GLU 187 N 6.57 0.00 0.00 4.30 4.57 -1.95 -3.02 114.58 125.05 1u9i h GLU 187 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1u9i h GLU 187 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1u9i h GLU 187 CO 0.54 0.00 -0.26 0.66 -1.18 0.00 0.00 179.01 178.77 1u9i n TYR 188 N -4.47 0.00 0.00 0.92 4.02 -1.26 -4.95 117.16 111.41 1u9i n TYR 188 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 1u9i n TYR 188 Cb 0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1u9i n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u9i n GLY 189 N -0.58 1.20 3.75 2.72 0.00 -1.14 -4.99 105.19 106.15 1u9i n GLY 189 Ca 0.06 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1u9i n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u9i s PRO 190 N 1.80 2.68 0.20 1.61 0.04 -1.26 -4.92 135.00 135.15 1u9i s PRO 190 Ca 0.00 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1u9i s PRO 190 Cb 0.00 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.76 1u9i s PRO 190 CO 0.00 -1.41 1.72 0.82 0.04 0.00 0.00 177.00 178.17 1u9i h ILE 191 N 0.35 1.26 -4.20 0.56 5.03 -1.94 -3.45 117.51 115.12 1u9i h ILE 191 Ca -0.49 -0.97 -0.19 0.00 -0.12 0.00 0.00 64.86 63.10 1u9i h ILE 191 Cb 1.29 0.51 -0.15 0.00 -3.03 0.00 0.00 36.82 35.44 1u9i h ILE 191 CO 0.53 0.37 -0.66 0.00 -0.68 0.00 0.00 178.15 177.71 1u9i s ALA 192 N -5.32 0.85 0.11 1.87 0.00 -1.26 -4.71 121.76 113.30 1u9i s ALA 192 Ca -0.12 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 1u9i s ALA 192 Cb 0.15 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 1u9i s ALA 192 CO 0.85 -0.40 1.27 0.54 0.00 0.00 0.00 175.76 178.02 1u9i n ARG 193 N -0.05 -0.30 -0.17 0.00 1.74 -1.03 -1.57 116.66 115.27 1u9i n ARG 193 Ca -0.09 1.25 0.03 0.00 -0.77 0.00 0.00 57.85 58.28 1u9i n ARG 193 Cb 0.63 -1.85 0.11 0.00 -1.02 0.00 0.00 32.46 30.33 1u9i n ARG 193 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1u9i n TYR 194 N -4.61 0.43 -3.97 -1.55 4.02 -1.26 -4.90 117.16 105.32 1u9i n TYR 194 Ca 0.01 -0.18 -0.32 0.00 -0.01 0.00 0.00 57.90 57.40 1u9i n TYR 194 Cb 0.18 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 1u9i n TYR 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u9i n GLY 195 N 0.66 -0.46 0.00 2.72 0.00 -0.61 -4.72 105.19 102.78 1u9i n GLY 195 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1u9i n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u9i n VAL 196 N -4.15 0.00 -0.32 1.61 0.31 -1.26 -4.84 118.33 109.68 1u9i n VAL 196 Ca 0.06 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.56 1u9i n VAL 196 Cb 0.50 -0.18 0.41 0.00 -0.91 0.00 0.00 33.84 33.66 1u9i n VAL 196 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1u9i h GLU 197 N 0.00 0.58 -0.68 5.55 3.07 -1.91 -2.44 114.58 118.75 1u9i h GLU 197 Ca 0.00 -0.03 0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1u9i h GLU 197 Cb 0.29 -0.13 -0.09 0.00 -0.84 0.00 0.00 28.75 27.97 1u9i h GLU 197 CO 0.00 0.38 0.19 0.93 -1.40 0.00 0.00 179.01 179.11 1u9i h GLU 198 N 0.60 0.31 0.00 2.33 3.07 -1.94 -2.22 114.58 116.73 1u9i h GLU 198 Ca 0.56 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.35 1u9i h GLU 198 Cb 1.10 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1u9i h GLU 198 CO -0.31 0.20 -0.36 0.74 -1.40 0.00 0.00 179.01 177.88 1u9i h PHE 199 N 0.32 0.00 0.07 4.33 0.04 -1.80 -3.33 116.94 116.57 1u9i h PHE 199 Ca 0.37 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.89 1u9i h PHE 199 Cb 0.56 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.71 1u9i h PHE 199 CO -0.23 0.22 -1.09 0.28 -0.60 0.00 0.00 178.31 176.89 1u9i h VAL 200 N 0.00 1.51 -4.21 -0.55 2.07 -1.30 -3.46 116.25 110.31 1u9i h VAL 200 Ca -0.01 -2.93 -0.50 0.00 0.82 0.00 0.00 66.70 64.08 1u9i h VAL 200 Cb 1.18 2.76 0.05 0.00 -1.52 0.00 0.00 31.29 33.75 1u9i h VAL 200 CO 0.03 0.85 0.36 -0.44 0.02 0.00 0.00 177.57 178.39 1u9i s SER 201 N -7.04 6.32 0.01 0.57 0.01 -0.93 -4.93 113.70 107.72 1u9i s SER 201 Ca -0.03 1.38 0.10 0.00 1.31 0.00 0.00 55.95 58.71 1u9i s SER 201 Cb 0.08 -2.45 -0.23 0.00 0.21 0.00 0.00 66.02 63.64 1u9i s SER 201 CO 0.86 -0.76 0.87 0.44 0.41 0.00 0.00 173.24 175.06 1u9i h ASP 202 N 0.05 0.02 -3.74 2.44 3.32 -1.89 -3.46 116.42 113.16 1u9i h ASP 202 Ca -0.45 -0.03 -0.45 0.00 0.02 0.00 0.00 57.03 56.12 1u9i h ASP 202 Cb 1.19 -0.01 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 1u9i h ASP 202 CO 0.62 1.03 -0.79 0.20 -1.72 0.00 0.00 179.24 178.58 1u9i s ASN 203 N -6.34 1.32 -0.13 6.45 0.01 -1.22 -1.35 114.94 113.67 1u9i s ASN 203 Ca -0.03 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1u9i s ASN 203 Cb 0.09 -0.42 0.02 0.00 0.41 0.00 0.00 41.25 41.35 1u9i s ASN 203 CO 0.82 0.06 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.66 1u9i s VAL 204 N 0.31 1.39 -0.12 1.60 1.01 -0.29 0.10 120.40 124.40 1u9i s VAL 204 Ca -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1u9i s VAL 204 Cb -0.10 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1u9i s VAL 204 CO 0.01 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 1u9i s VAL 205 N 1.49 2.38 -0.19 2.92 1.01 0.34 -0.60 120.40 127.75 1u9i s VAL 205 Ca 0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1u9i s VAL 205 Cb -0.13 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1u9i s VAL 205 CO -0.09 0.54 -0.08 -0.63 0.00 0.00 0.00 175.10 174.84 1u9i s ILE 206 N 0.49 3.16 -0.24 2.22 1.09 -0.00 -1.58 121.20 126.34 1u9i s ILE 206 Ca -0.13 -0.58 -0.10 0.00 -1.10 0.00 0.00 60.65 58.74 1u9i s ILE 206 Cb -0.17 -2.40 -0.05 0.00 -1.06 0.00 0.00 42.46 38.79 1u9i s ILE 206 CO 0.05 0.47 0.14 -0.76 -0.10 0.00 0.00 174.94 174.73 1u9i s LEU 207 N 1.13 3.96 0.11 2.97 1.43 -0.37 -1.02 118.68 126.88 1u9i s LEU 207 Ca 0.01 0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1u9i s LEU 207 Cb -0.14 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1u9i s LEU 207 CO -0.02 0.05 -0.19 -0.13 0.23 0.00 0.00 176.35 176.30 1u9i s ARG 208 N 1.13 1.78 -0.47 1.70 0.52 0.50 -4.19 118.95 119.93 1u9i s ARG 208 Ca 0.06 -1.17 0.08 0.00 -0.52 0.00 0.00 55.73 54.18 1u9i s ARG 208 Cb -0.14 -2.11 0.28 0.00 0.52 0.00 0.00 34.95 33.50 1u9i s ARG 208 CO 0.05 0.48 0.67 -1.71 0.02 0.00 0.00 175.30 174.81 1u9i n ASN 209 N 0.87 1.71 -4.76 0.23 4.05 -1.26 -1.12 115.26 114.98 1u9i n ASN 209 Ca -0.16 -3.06 -0.41 0.00 0.45 0.00 0.00 54.58 51.40 1u9i n ASN 209 Cb 0.53 -0.63 -0.03 0.00 1.23 0.00 0.00 39.78 40.87 1u9i n ASN 209 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1u9i s VAL 210 N -2.14 2.98 0.00 3.44 1.01 -1.07 -4.73 120.40 119.89 1u9i s VAL 210 Ca 0.39 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1u9i s VAL 210 Cb 0.21 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1u9i s VAL 210 CO -0.08 0.20 0.00 -0.11 0.00 0.00 0.00 175.10 175.11 1u9i n LEU 211 N 1.36 0.00 -1.70 3.92 7.94 -1.26 -0.42 117.00 126.85 1u9i n LEU 211 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1u9i n LEU 211 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1u9i n LEU 211 CO 0.58 0.00 -0.27 1.21 -1.11 0.00 0.00 177.39 177.80 1u9i n GLU 212 N 0.00 -2.89 0.00 1.96 0.00 -1.25 -4.31 120.64 114.14 1u9i n GLU 212 Ca 0.00 2.32 0.00 0.00 0.00 0.00 0.00 57.16 59.48 1u9i n GLU 212 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 31.44 28.67 1u9i n GLU 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u9i n GLY 213 N 1.01 -0.51 1.04 8.31 0.00 -1.26 -3.04 105.19 110.74 1u9i n GLY 213 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 1u9i n GLY 213 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u9i n GLU 214 N 0.00 2.03 -4.23 1.61 1.02 -1.26 -4.98 120.64 114.83 1u9i n GLU 214 Ca 0.00 -3.43 -0.27 0.00 -0.02 0.00 0.00 57.16 53.43 1u9i n GLU 214 Cb 0.00 -1.80 -0.09 0.00 -0.02 0.00 0.00 31.44 29.53 1u9i n GLU 214 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u9i s ARG 215 N -3.32 2.26 -0.07 3.49 1.81 -1.17 -5.13 118.95 116.83 1u9i s ARG 215 Ca 0.43 -1.13 0.02 0.00 -1.72 0.00 0.00 55.73 53.32 1u9i s ARG 215 Cb 0.39 -2.30 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 1u9i s ARG 215 CO -0.03 0.46 -0.10 1.03 -0.68 0.00 0.00 175.30 175.98 1u9i s ARG 216 N -2.77 2.71 -0.23 3.54 1.81 -1.26 -3.87 118.95 118.88 1u9i s ARG 216 Ca 0.26 -0.61 -0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1u9i s ARG 216 Cb -0.09 -2.52 0.06 0.00 -0.45 0.00 0.00 34.95 31.95 1u9i s ARG 216 CO 0.17 0.62 -0.01 0.50 -0.68 0.00 0.00 175.30 175.90 1u9i s ARG 217 N -0.70 1.25 0.10 3.54 3.52 0.45 -4.92 118.95 122.19 1u9i s ARG 217 Ca 0.11 -0.86 -0.28 0.00 -0.13 0.00 0.00 55.73 54.56 1u9i s ARG 217 Cb -0.11 -2.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.80 1u9i s ARG 217 CO 0.01 -0.66 0.90 1.03 -0.81 0.00 0.00 175.30 175.78 1u9i s ARG 218 N 1.54 4.64 0.04 5.12 0.52 -1.26 -2.59 118.95 126.97 1u9i s ARG 218 Ca -0.03 1.34 0.01 0.00 -0.52 0.00 0.00 55.73 56.53 1u9i s ARG 218 Cb -0.18 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 1u9i s ARG 218 CO -0.08 0.25 -0.06 0.95 0.02 0.00 0.00 175.30 176.38 1u9i s THR 219 N -0.08 0.39 -0.01 0.02 -4.23 -0.27 -1.76 115.64 109.70 1u9i s THR 219 Ca 0.44 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 1u9i s THR 219 Cb -0.23 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 1u9i s THR 219 CO 0.28 -0.56 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.35 1u9i s LEU 220 N -1.90 2.06 -0.03 4.79 0.20 0.17 -0.37 118.68 123.60 1u9i s LEU 220 Ca -0.07 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.33 1u9i s LEU 220 Cb -0.06 -1.16 0.02 0.00 -0.43 0.00 0.00 46.19 44.56 1u9i s LEU 220 CO -0.02 0.27 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.58 1u9i s GLU 221 N -0.63 0.53 -0.46 1.98 2.12 -0.19 -0.42 118.70 121.63 1u9i s GLU 221 Ca 0.09 -0.05 -0.19 0.00 0.36 0.00 0.00 54.97 55.18 1u9i s GLU 221 Cb -0.09 -0.59 0.04 0.00 0.26 0.00 0.00 34.13 33.75 1u9i s GLU 221 CO -0.00 -0.05 0.54 0.42 -0.54 0.00 0.00 175.26 175.62 1u9i s ILE 222 N 0.70 4.97 -0.06 -3.70 -1.09 -1.26 -0.82 121.20 119.94 1u9i s ILE 222 Ca -0.08 -0.33 -0.27 0.00 -2.23 0.00 0.00 60.65 57.74 1u9i s ILE 222 Cb -0.11 -4.17 -0.22 0.00 -1.58 0.00 0.00 42.46 36.38 1u9i s ILE 222 CO -0.01 -0.59 1.11 0.25 -1.23 0.00 0.00 174.94 174.47 1u9i h LEU 223 N 9.39 0.01 -7.18 2.97 6.46 -1.21 -3.42 115.31 122.33 1u9i h LEU 223 Ca -0.27 -0.65 -0.07 0.00 -0.12 0.00 0.00 57.88 56.77 1u9i h LEU 223 Cb 1.10 -0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 40.85 1u9i h LEU 223 CO 0.88 0.66 0.04 -1.59 -0.62 0.00 0.00 178.44 177.80 1u9i s LYS 224 N -3.60 0.98 -0.28 1.25 -2.85 -1.22 -4.99 119.74 109.02 1u9i s LYS 224 Ca -0.17 -0.03 -0.04 0.00 -1.00 0.00 0.00 55.97 54.73 1u9i s LYS 224 Cb 0.00 0.45 0.10 0.00 -2.06 0.00 0.00 37.83 36.32 1u9i s LYS 224 CO 0.68 -0.32 0.13 -0.51 0.10 0.00 0.00 175.35 175.43 1u9i s LEU 225 N -1.54 0.62 0.01 2.77 1.43 -1.26 -1.14 118.68 119.57 1u9i s LEU 225 Ca -0.09 -1.27 -0.32 0.00 -1.03 0.00 0.00 54.13 51.42 1u9i s LEU 225 Cb -0.01 -0.37 -0.11 0.00 0.03 0.00 0.00 46.19 45.73 1u9i s LEU 225 CO 0.04 -0.43 1.88 0.54 0.23 0.00 0.00 176.35 178.61 1u9i n ARG 226 N 5.23 2.50 0.00 1.70 1.74 -0.46 -2.83 116.66 124.55 1u9i n ARG 226 Ca -0.06 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1u9i n ARG 226 Cb 0.42 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 1u9i n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u9i n GLY 227 N 4.35 2.79 2.47 -0.13 0.00 -1.26 -5.00 105.19 108.41 1u9i n GLY 227 Ca 0.21 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1u9i n GLY 227 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u9i n THR 228 N 0.00 0.00 -3.00 2.61 -2.24 -1.13 -4.75 114.28 105.77 1u9i n THR 228 Ca 0.00 -1.71 -0.18 0.00 -2.27 0.00 0.00 64.05 59.88 1u9i n THR 228 Cb 0.00 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.80 1u9i n THR 228 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u9i s SER 229 N -2.86 5.39 -0.08 3.42 1.04 -1.26 -4.67 113.70 114.68 1u9i s SER 229 Ca 0.10 -0.58 -0.32 0.00 0.48 0.00 0.00 55.95 55.63 1u9i s SER 229 Cb 0.01 -0.25 0.13 0.00 0.10 0.00 0.00 66.02 66.00 1u9i s SER 229 CO 0.07 -1.04 1.28 -1.38 0.98 0.00 0.00 173.24 173.15 1u9i s HIS 230 N -2.51 -0.06 0.24 5.02 -0.00 -1.26 -4.54 115.29 112.18 1u9i s HIS 230 Ca 0.58 -0.02 -0.30 0.00 -0.00 0.00 0.00 55.06 55.33 1u9i s HIS 230 Cb -0.08 0.53 -0.09 0.00 -0.00 0.00 0.00 32.58 32.94 1u9i s HIS 230 CO 0.36 -0.23 1.07 -1.64 -0.00 0.00 0.00 174.74 174.29 1u9i s MET 231 N -2.39 4.67 0.49 -0.38 -1.94 0.49 -5.01 119.30 115.22 1u9i s MET 231 Ca 0.13 1.72 -0.02 0.00 -1.71 0.00 0.00 55.69 55.80 1u9i s MET 231 Cb 0.03 -3.23 -0.01 0.00 2.01 0.00 0.00 34.83 33.63 1u9i s MET 231 CO -0.04 0.23 0.75 0.15 -0.01 0.00 0.00 175.02 176.10 1u9i s LYS 232 N -1.10 3.16 0.91 2.03 3.01 -1.26 -4.52 119.74 121.97 1u9i s LYS 232 Ca 0.45 -0.20 0.00 0.00 -1.01 0.00 0.00 55.97 55.21 1u9i s LYS 232 Cb -0.30 -2.45 0.00 0.00 -1.01 0.00 0.00 37.83 34.07 1u9i s LYS 232 CO 0.38 -0.34 0.00 0.41 0.51 0.00 0.00 175.35 176.31 1u9i n GLY 233 N -2.23 -2.08 3.86 -3.33 0.00 -1.26 -4.93 105.19 95.22 1u9i n GLY 233 Ca 0.01 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 1u9i n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9i s GLU 234 N -0.15 3.83 -0.04 1.61 2.02 -1.26 -4.08 118.70 120.63 1u9i s GLU 234 Ca 0.00 0.28 0.01 0.00 0.02 0.00 0.00 54.97 55.28 1u9i s GLU 234 Cb 0.00 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.39 1u9i s GLU 234 CO 0.00 0.46 -0.05 0.71 0.02 0.00 0.00 175.26 176.39 1u9i s TYR 235 N -1.57 0.77 0.54 1.61 1.51 0.44 -4.91 117.35 115.74 1u9i s TYR 235 Ca 0.39 -0.21 -0.20 0.00 -1.01 0.00 0.00 57.07 56.05 1u9i s TYR 235 Cb -0.13 -0.65 -0.06 0.00 -0.11 0.00 0.00 41.96 41.01 1u9i s TYR 235 CO 0.20 -0.17 1.13 -1.25 -1.11 0.00 0.00 175.55 174.35 1u9i s PRO 236 N 0.73 3.38 0.22 -1.71 0.04 -1.26 0.43 135.00 136.83 1u9i s PRO 236 Ca -0.10 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 1u9i s PRO 236 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1u9i s PRO 236 CO 0.00 -0.83 0.47 -0.59 0.04 0.00 0.00 177.00 176.10 1u9i s PHE 237 N -1.77 0.22 0.13 0.56 -0.12 -0.72 -2.19 117.98 114.08 1u9i s PHE 237 Ca 0.72 -0.59 0.03 0.00 -0.05 0.00 0.00 56.93 57.05 1u9i s PHE 237 Cb -0.24 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 1u9i s PHE 237 CO 0.27 -0.94 -0.07 0.99 -0.05 0.00 0.00 175.22 175.41 1u9i s THR 238 N -3.97 0.89 -0.22 -4.49 2.01 -0.11 -4.38 115.64 105.37 1u9i s THR 238 Ca 0.18 -1.99 0.01 0.00 0.31 0.00 0.00 61.69 60.20 1u9i s THR 238 Cb -0.00 -1.80 0.04 0.00 0.01 0.00 0.00 72.50 70.75 1u9i s THR 238 CO 0.05 -0.78 -0.14 -0.63 -0.69 0.00 0.00 174.62 172.42 1u9i s ILE 239 N -3.50 2.26 0.00 1.82 1.01 -1.26 -0.41 121.20 121.12 1u9i s ILE 239 Ca 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1u9i s ILE 239 Cb 0.04 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1u9i s ILE 239 CO -0.02 0.27 0.00 0.35 0.00 0.00 0.00 174.94 175.54 1u9i n THR 240 N 4.56 0.00 0.29 2.92 -2.24 -0.78 -4.94 114.28 114.09 1u9i n THR 240 Ca -0.18 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1u9i n THR 240 Cb 0.47 0.00 0.67 0.00 -2.10 0.00 0.00 70.33 69.36 1u9i n THR 240 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1u9i h ASP 241 N 0.00 0.00 -0.46 3.42 3.32 -1.95 -0.16 116.42 120.59 1u9i h ASP 241 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1u9i h ASP 241 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1u9i h ASP 241 CO 0.00 0.00 0.05 1.41 -1.72 0.00 0.00 179.24 178.98 1u9i n HIS 242 N -2.51 1.61 -4.24 4.55 8.25 -1.26 -4.21 115.22 117.40 1u9i n HIS 242 Ca -0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 57.72 56.49 1u9i n HIS 242 Cb 0.15 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1u9i n HIS 242 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u9i n GLY 243 N -0.17 -0.83 3.71 -1.41 0.00 -0.07 -4.83 105.19 101.59 1u9i n GLY 243 Ca 0.28 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1u9i n GLY 243 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u9i s ILE 244 N 0.00 2.71 -0.23 -0.61 1.01 -1.26 -1.87 121.20 120.94 1u9i s ILE 244 Ca 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1u9i s ILE 244 Cb 0.00 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.27 1u9i s ILE 244 CO 0.00 0.02 0.02 0.21 0.00 0.00 0.00 174.94 175.19 1u9i s ASN 245 N 1.55 3.48 0.01 3.58 2.47 0.45 -4.28 114.94 122.21 1u9i s ASN 245 Ca 0.72 -1.13 -0.02 0.00 0.42 0.00 0.00 52.86 52.85 1u9i s ASN 245 Cb -0.43 -0.86 -0.04 0.00 -1.45 0.00 0.00 41.25 38.47 1u9i s ASN 245 CO 0.32 -0.31 0.19 -0.63 -3.72 0.00 0.00 177.10 172.95 1u9i s ILE 246 N 1.64 5.40 -0.32 -5.21 1.01 -0.75 -0.93 121.20 122.04 1u9i s ILE 246 Ca -0.00 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1u9i s ILE 246 Cb -0.18 -3.56 0.09 0.00 0.01 0.00 0.00 42.46 38.82 1u9i s ILE 246 CO -0.11 0.26 0.03 -0.36 0.00 0.00 0.00 174.94 174.76 1u9i s PHE 247 N -1.38 3.27 -1.56 3.97 0.40 -0.93 -4.27 117.98 117.47 1u9i s PHE 247 Ca 0.30 -2.62 -0.11 0.00 -0.60 0.00 0.00 56.93 53.89 1u9i s PHE 247 Cb -0.13 -2.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 1u9i s PHE 247 CO 0.22 -0.92 2.69 -2.30 0.70 0.00 0.00 175.22 175.61 1u9i n PRO 248 N 4.40 3.40 0.32 0.24 -0.02 -1.26 -4.38 135.00 137.70 1u9i n PRO 248 Ca -0.01 -2.36 0.09 0.00 -2.02 0.00 0.00 63.50 59.20 1u9i n PRO 248 Cb 0.42 -2.98 0.46 0.00 -0.02 0.00 0.00 33.50 31.38 1u9i n PRO 248 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u9i h LEU 249 N 8.09 0.00 -2.18 2.45 3.38 -1.95 2.02 115.31 127.12 1u9i h LEU 249 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.73 1u9i h LEU 249 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1u9i h LEU 249 CO 1.82 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.96 1u9i n GLY 250 N -1.36 1.67 0.00 0.83 0.00 -1.26 -3.96 105.19 101.11 1u9i n GLY 250 Ca -0.00 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.39 1u9i n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i n ALA 251 N 1.29 3.36 -1.95 4.61 0.00 0.68 -4.97 120.51 123.54 1u9i n ALA 251 Ca 0.20 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1u9i n ALA 251 Cb 0.54 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 1u9i n ALA 251 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1u9i s MET 252 N -2.09 4.19 0.33 0.00 0.00 -1.17 -4.97 119.30 115.58 1u9i s MET 252 Ca 0.04 2.28 -0.25 0.00 0.00 0.00 0.00 55.69 57.76 1u9i s MET 252 Cb 0.08 -3.86 -0.10 0.00 0.00 0.00 0.00 34.83 30.96 1u9i s MET 252 CO 0.45 -0.81 0.92 1.03 0.00 0.00 0.00 175.02 176.61 1u9i s ARG 253 N 3.54 4.50 -1.42 4.11 0.52 -1.26 -4.96 118.95 123.97 1u9i s ARG 253 Ca 0.75 1.25 -0.09 0.00 -0.52 0.00 0.00 55.73 57.12 1u9i s ARG 253 Cb -0.37 -2.71 0.06 0.00 0.52 0.00 0.00 34.95 32.45 1u9i s ARG 253 CO 0.32 0.24 2.41 -0.11 0.02 0.00 0.00 175.30 178.18 1u9i n LEU 254 N 0.39 7.76 -2.77 2.53 7.94 -1.26 -4.50 117.00 127.08 1u9i n LEU 254 Ca 0.02 -4.58 -0.16 0.00 -1.11 0.00 0.00 56.01 50.19 1u9i n LEU 254 Cb 0.51 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1u9i n LEU 254 CO 0.43 1.77 -0.07 0.41 -1.11 0.00 0.00 177.39 178.82 1u9i n THR 255 N 3.11 1.14 -2.85 1.96 -1.04 -1.26 -5.10 114.28 110.24 1u9i n THR 255 Ca 0.60 -3.96 -0.36 0.00 -2.04 0.00 0.00 64.05 58.29 1u9i n THR 255 Cb 0.29 -0.07 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 1u9i n THR 255 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1u9i s GLN 256 N -3.07 4.49 0.21 -2.82 -1.52 -1.26 -5.00 119.66 110.69 1u9i s GLN 256 Ca 0.36 1.21 -0.30 0.00 -1.95 0.00 0.00 55.36 54.68 1u9i s GLN 256 Cb 0.41 -2.77 -0.08 0.00 -0.22 0.00 0.00 33.01 30.35 1u9i s GLN 256 CO -0.04 0.28 1.06 1.03 -0.25 0.00 0.00 175.29 177.37 1u9i s ARG 257 N -2.12 4.66 -0.08 2.91 0.52 -1.26 -5.02 118.95 118.56 1u9i s ARG 257 Ca 0.50 1.68 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1u9i s ARG 257 Cb -0.17 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.06 1u9i s ARG 257 CO 0.22 0.20 -0.05 0.45 0.02 0.00 0.00 175.30 176.15 1u9i s SER 258 N -0.50 1.65 0.48 0.23 0.15 -1.26 -4.91 113.70 109.54 1u9i s SER 258 Ca 0.46 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.95 1u9i s SER 258 Cb -0.29 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1u9i s SER 258 CO 0.36 -0.10 0.01 -0.94 1.20 0.00 0.00 173.24 173.76 1u9i s SER 259 N 1.45 4.05 0.00 5.45 1.04 -1.26 -5.04 113.70 119.39 1u9i s SER 259 Ca -0.02 -1.55 0.20 0.00 0.48 0.00 0.00 55.95 55.06 1u9i s SER 259 Cb -0.13 0.21 0.48 0.00 0.10 0.00 0.00 66.02 66.67 1u9i s SER 259 CO -0.04 -0.72 1.40 0.59 0.98 0.00 0.00 173.24 175.46 1u9i n ASN 260 N -1.17 3.51 -4.77 7.02 3.02 -1.26 -4.71 115.26 116.90 1u9i n ASN 260 Ca -0.14 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.03 1u9i n ASN 260 Cb 0.67 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 1u9i n ASN 260 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u9i s VAL 261 N -1.15 2.45 0.20 2.41 1.01 -1.26 -4.92 120.40 119.14 1u9i s VAL 261 Ca 0.39 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1u9i s VAL 261 Cb 0.21 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1u9i s VAL 261 CO 0.29 0.09 0.16 -0.13 0.00 0.00 0.00 175.10 175.51 1u9i s ARG 262 N -1.48 2.90 0.01 2.72 1.81 -1.26 -0.28 118.95 123.37 1u9i s ARG 262 Ca 0.53 -0.95 -0.04 0.00 -1.72 0.00 0.00 55.73 53.55 1u9i s ARG 262 Cb -0.43 -2.61 -0.01 0.00 -0.45 0.00 0.00 34.95 31.46 1u9i s ARG 262 CO 0.54 0.45 0.08 0.08 -0.68 0.00 0.00 175.30 175.76 1u9i s VAL 263 N -1.91 0.09 0.41 3.52 1.01 0.28 -4.68 120.40 119.12 1u9i s VAL 263 Ca 0.32 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1u9i s VAL 263 Cb -0.09 -0.35 -0.11 0.00 0.00 0.00 0.00 36.38 35.83 1u9i s VAL 263 CO 0.24 -0.39 0.95 -0.55 0.00 0.00 0.00 175.10 175.34 1u9i s SER 264 N -1.31 7.01 0.16 3.32 0.15 -1.26 -1.25 113.70 120.51 1u9i s SER 264 Ca -0.14 1.72 0.25 0.00 0.70 0.00 0.00 55.95 58.47 1u9i s SER 264 Cb -0.08 -2.55 0.47 0.00 -1.71 0.00 0.00 66.02 62.15 1u9i s SER 264 CO 0.01 -0.31 1.45 0.77 1.20 0.00 0.00 173.24 176.36 1u9i h SER 265 N 2.13 0.00 0.00 5.45 4.64 -1.93 -3.46 113.55 120.37 1u9i h SER 265 Ca -0.49 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1u9i h SER 265 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1u9i h SER 265 CO 0.62 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1u9i n GLY 266 N 1.32 1.22 3.03 -0.77 0.00 -1.26 -3.08 105.19 105.65 1u9i n GLY 266 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1u9i n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u9i s VAL 267 N -2.27 1.98 0.11 1.61 1.01 -1.26 -4.92 120.40 116.66 1u9i s VAL 267 Ca 0.00 -1.52 -0.34 0.00 0.00 0.00 0.00 61.98 60.12 1u9i s VAL 267 Cb 0.00 -2.14 -0.14 0.00 0.00 0.00 0.00 36.38 34.11 1u9i s VAL 267 CO 0.00 -0.06 1.55 0.58 0.00 0.00 0.00 175.10 177.18 1u9i h VAL 268 N 6.74 0.00 -0.98 2.92 2.07 -1.95 -1.38 116.25 123.66 1u9i h VAL 268 Ca -0.19 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.53 1u9i h VAL 268 Cb 1.05 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 1u9i h VAL 268 CO 0.45 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 178.52 1u9i h ARG 269 N -0.67 0.68 -0.20 1.57 9.65 -1.96 0.06 114.38 123.52 1u9i h ARG 269 Ca 0.01 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1u9i h ARG 269 Cb 0.72 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1u9i h ARG 269 CO -0.37 0.45 0.09 1.25 2.80 0.00 0.00 179.97 184.19 1u9i h LEU 270 N 0.70 0.12 -0.38 3.80 6.46 -1.72 -1.41 115.31 122.88 1u9i h LEU 270 Ca 0.58 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.43 1u9i h LEU 270 Cb 0.94 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.79 1u9i h LEU 270 CO -0.41 0.10 -0.14 0.44 -0.62 0.00 0.00 178.44 177.82 1u9i h ASP 271 N 0.19 -0.48 -0.28 1.25 3.32 -0.11 0.17 116.42 120.48 1u9i h ASP 271 Ca 0.08 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1u9i h ASP 271 Cb 0.03 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1u9i h ASP 271 CO -0.07 -0.17 -0.06 -0.33 -1.72 0.00 0.00 179.24 176.89 1u9i h GLU 272 N -0.05 0.01 -0.29 3.56 5.08 -0.98 0.26 114.58 122.16 1u9i h GLU 272 Ca 0.19 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1u9i h GLU 272 Cb 0.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1u9i h GLU 272 CO -0.42 0.01 0.20 0.52 -1.00 0.00 0.00 179.01 178.31 1u9i h MET 273 N 0.01 0.18 -0.77 2.33 2.86 -0.09 0.25 114.93 119.71 1u9i h MET 273 Ca 0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1u9i h MET 273 Cb 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1u9i h MET 273 CO -0.28 0.12 0.00 0.00 1.06 0.00 0.00 176.91 177.81 1u9i n GLY 275 N 0.34 -0.27 0.00 0.00 0.00 0.08 -3.64 105.19 101.69 1u9i n GLY 275 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1u9i n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 276 N -1.58 1.31 0.00 -0.02 0.00 0.66 -4.87 105.19 100.69 1u9i n GLY 276 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1u9i n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9i n GLY 277 N -1.11 0.94 3.82 -0.02 0.00 0.21 -4.68 105.19 104.35 1u9i n GLY 277 Ca 0.00 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 1u9i n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u9i s PHE 278 N -1.41 3.12 0.17 1.61 2.99 -0.38 -4.75 117.98 119.33 1u9i s PHE 278 Ca 0.00 1.45 -0.21 0.00 0.00 0.00 0.00 56.93 58.17 1u9i s PHE 278 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 43.02 40.03 1u9i s PHE 278 CO 0.00 -1.09 0.70 -0.06 -0.00 0.00 0.00 175.22 174.77 1u9i s PHE 279 N -2.80 3.75 0.09 0.36 2.99 -1.26 0.99 117.98 122.11 1u9i s PHE 279 Ca 0.60 1.41 -0.25 0.00 0.00 0.00 0.00 56.93 58.70 1u9i s PHE 279 Cb -0.14 -2.62 -0.14 0.00 0.00 0.00 0.00 43.02 40.12 1u9i s PHE 279 CO 0.46 0.44 1.71 -0.22 -0.00 0.00 0.00 175.22 177.62 1u9i h LYS 280 N 3.91 -0.17 -5.34 0.44 3.64 -0.91 -3.26 116.57 114.87 1u9i h LYS 280 Ca -0.48 0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.23 1u9i h LYS 280 Cb 1.20 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.92 1u9i h LYS 280 CO 0.65 -0.11 1.36 -0.51 -2.27 0.00 0.00 179.45 178.57 1u9i s ASP 281 N -5.04 6.75 0.01 4.20 1.01 -1.26 -3.56 116.67 118.78 1u9i s ASP 281 Ca -0.14 -2.23 -0.29 0.00 0.71 0.00 0.00 52.55 50.60 1u9i s ASP 281 Cb 0.06 -2.47 0.10 0.00 1.01 0.00 0.00 42.92 41.62 1u9i s ASP 281 CO 0.66 -1.10 1.00 -0.94 0.21 0.00 0.00 175.17 174.99 1u9i s SER 282 N 3.83 -0.25 -0.20 0.27 1.04 -1.23 -4.77 113.70 112.39 1u9i s SER 282 Ca 0.42 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.74 1u9i s SER 282 Cb -0.02 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1u9i s SER 282 CO -0.04 -0.60 -0.14 -0.63 0.98 0.00 0.00 173.24 172.80 1u9i s ILE 283 N -2.99 1.91 -0.11 -1.02 1.01 -1.26 -2.51 121.20 116.23 1u9i s ILE 283 Ca 0.08 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 1u9i s ILE 283 Cb -0.01 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1u9i s ILE 283 CO -0.05 0.28 0.09 -0.63 0.00 0.00 0.00 174.94 174.63 1u9i s ILE 284 N 1.30 5.09 -0.10 2.92 -1.09 0.57 -1.73 121.20 128.14 1u9i s ILE 284 Ca -0.00 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.50 1u9i s ILE 284 Cb -0.16 -3.19 -0.00 0.00 -1.58 0.00 0.00 42.46 37.53 1u9i s ILE 284 CO -0.09 0.61 -0.24 -0.22 -1.23 0.00 0.00 174.94 173.77 1u9i s LEU 285 N -0.96 2.11 -0.27 2.97 2.96 0.59 0.43 118.68 126.52 1u9i s LEU 285 Ca 0.14 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1u9i s LEU 285 Cb -0.12 -1.42 0.03 0.00 0.50 0.00 0.00 46.19 45.19 1u9i s LEU 285 CO 0.03 0.16 -0.03 0.00 -1.32 0.00 0.00 176.35 175.19 1u9i s ALA 286 N 0.36 2.77 0.17 5.97 0.00 0.01 0.14 121.76 131.18 1u9i s ALA 286 Ca -0.18 -1.55 0.10 0.00 0.00 0.00 0.00 51.96 50.33 1u9i s ALA 286 Cb -0.18 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1u9i s ALA 286 CO 0.08 -0.97 -0.19 0.99 0.00 0.00 0.00 175.76 175.68 1u9i s THR 287 N 1.32 2.69 0.00 0.00 2.01 -0.34 -0.94 115.64 120.37 1u9i s THR 287 Ca -0.01 -1.80 0.00 0.00 0.31 0.00 0.00 61.69 60.19 1u9i s THR 287 Cb -0.18 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1u9i s THR 287 CO -0.03 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1u9i n GLY 288 N 0.36 3.45 3.38 4.40 0.00 -0.93 -0.51 105.19 115.33 1u9i n GLY 288 Ca -0.13 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1u9i n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i n ALA 289 N -1.19 -3.11 -1.77 4.61 0.00 -1.26 -2.84 120.51 114.95 1u9i n ALA 289 Ca 0.00 -0.87 -0.39 0.00 0.00 0.00 0.00 53.44 52.18 1u9i n ALA 289 Cb 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 1u9i n ALA 289 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1u9i s THR 290 N -2.35 2.68 0.00 0.00 -1.32 -1.26 -2.70 115.64 110.69 1u9i s THR 290 Ca 0.57 0.61 0.00 0.00 -1.21 0.00 0.00 61.69 61.66 1u9i s THR 290 Cb -0.18 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.46 1u9i s THR 290 CO 0.67 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.77 1u9i n GLY 291 N 0.67 2.23 0.26 6.08 0.00 -1.26 -4.92 105.19 108.24 1u9i n GLY 291 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1u9i n GLY 291 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u9i h THR 292 N 0.00 0.39 0.00 2.61 1.35 -1.84 -3.47 112.91 111.95 1u9i h THR 292 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1u9i h THR 292 Cb 0.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1u9i h THR 292 CO 0.00 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1u9i n GLY 293 N -0.22 1.75 0.13 5.82 0.00 -1.26 -4.91 105.19 106.50 1u9i n GLY 293 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1u9i n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9i h LYS 294 N 0.12 -0.13 -0.73 1.61 6.56 -1.91 -2.21 116.57 119.88 1u9i h LYS 294 Ca 0.00 0.01 0.12 0.00 -1.06 0.00 0.00 60.65 59.72 1u9i h LYS 294 Cb 0.00 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.64 1u9i h LYS 294 CO 0.00 -0.09 0.48 0.00 -2.06 0.00 0.00 179.45 177.78 1u9i h THR 295 N -0.14 0.86 0.04 -0.16 1.03 -1.98 -1.23 112.91 111.33 1u9i h THR 295 Ca 0.04 -0.18 -0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1u9i h THR 295 Cb 0.19 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 67.58 1u9i h THR 295 CO -0.10 0.09 -0.02 0.25 -0.01 0.00 0.00 175.52 175.73 1u9i h LEU 296 N 0.51 -0.05 -1.36 0.00 5.85 -1.83 -2.05 115.31 116.38 1u9i h LEU 296 Ca 0.35 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.91 1u9i h LEU 296 Cb 0.65 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1u9i h LEU 296 CO -0.12 0.24 0.52 -0.07 -0.34 0.00 0.00 178.44 178.67 1u9i h LEU 297 N -0.33 0.63 0.02 2.25 3.38 -0.74 -1.91 115.31 118.61 1u9i h LEU 297 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u9i h LEU 297 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1u9i h LEU 297 CO 0.01 0.37 -0.01 0.58 0.09 0.00 0.00 178.44 179.48 1u9i h VAL 298 N 0.70 1.13 -0.01 1.22 2.07 -1.05 -0.53 116.25 119.77 1u9i h VAL 298 Ca 0.37 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1u9i h VAL 298 Cb 0.51 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1u9i h VAL 298 CO -0.15 0.12 -0.23 0.28 0.02 0.00 0.00 177.57 177.61 1u9i h SER 299 N -0.22 -0.67 -0.07 0.57 0.02 -0.80 -0.79 113.55 111.59 1u9i h SER 299 Ca -0.00 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1u9i h SER 299 Cb 0.21 0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1u9i h SER 299 CO 0.00 -0.29 0.05 -0.09 -1.14 0.00 0.00 176.83 175.36 1u9i h ARG 300 N -0.35 0.00 -0.04 3.45 9.65 -1.29 0.11 114.38 125.91 1u9i h ARG 300 Ca 0.06 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.76 1u9i h ARG 300 Cb 0.44 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1u9i h ARG 300 CO -0.21 0.00 -0.79 0.35 2.80 0.00 0.00 179.97 182.12 1u9i h PHE 301 N 0.00 0.42 0.17 2.20 3.57 -0.21 -2.70 116.94 120.39 1u9i h PHE 301 Ca 0.03 -0.20 -0.29 0.00 3.53 0.00 0.00 57.97 61.04 1u9i h PHE 301 Cb 0.13 -0.06 0.03 0.00 2.79 0.00 0.00 35.95 38.85 1u9i h PHE 301 CO 0.00 0.97 -1.24 0.28 -2.23 0.00 0.00 178.31 176.09 1u9i h VAL 302 N 0.19 1.33 -0.28 1.41 2.07 -0.10 -3.27 116.25 117.59 1u9i h VAL 302 Ca -0.04 -2.55 -0.07 0.00 0.82 0.00 0.00 66.70 64.86 1u9i h VAL 302 Cb 1.38 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 34.05 1u9i h VAL 302 CO 0.13 0.76 -0.14 -0.08 0.02 0.00 0.00 177.57 178.26 1u9i h GLU 303 N 0.10 0.48 -0.68 1.57 4.81 -0.88 -2.78 114.58 117.20 1u9i h GLU 303 Ca -0.20 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1u9i h GLU 303 Cb 1.94 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.24 1u9i h GLU 303 CO 0.23 0.62 0.33 -0.97 -0.73 0.00 0.00 179.01 178.49 1u9i h ASN 304 N 0.45 0.87 -0.50 1.04 -0.73 -1.56 0.36 115.58 115.51 1u9i h ASN 304 Ca 0.08 -0.09 -0.09 0.00 1.87 0.00 0.00 56.30 58.08 1u9i h ASN 304 Cb 0.51 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.85 1u9i h ASN 304 CO 0.03 0.73 -0.01 0.00 -0.37 0.00 0.00 177.43 177.81 1u9i h ALA 305 N 1.41 0.95 -0.36 1.57 0.00 -1.55 -2.85 119.26 118.44 1u9i h ALA 305 Ca 0.24 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1u9i h ALA 305 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1u9i h ALA 305 CO -0.03 0.63 -0.31 0.00 0.00 0.00 0.00 179.25 179.54 1u9i h ALA 307 N 0.76 1.35 -0.57 0.00 0.00 -0.75 0.92 119.26 120.98 1u9i h ALA 307 Ca 0.06 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1u9i h ALA 307 Cb 0.89 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 1u9i h ALA 307 CO 0.08 -0.20 0.17 0.09 0.00 0.00 0.00 179.25 179.40 1u9i n ASN 308 N -3.23 3.43 -4.17 0.00 3.02 -0.95 -4.96 115.26 108.40 1u9i n ASN 308 Ca -0.01 -3.52 -0.38 0.00 -0.03 0.00 0.00 54.58 50.64 1u9i n ASN 308 Cb 0.25 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 1u9i n ASN 308 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u9i n LYS 309 N -0.86 -0.81 -4.32 3.52 5.02 0.32 -4.96 118.16 116.06 1u9i n LYS 309 Ca 0.39 0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 56.57 1u9i n LYS 309 Cb 1.23 -3.20 -0.12 0.00 -0.02 0.00 0.00 35.03 32.92 1u9i n LYS 309 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1u9i s GLU 310 N -7.31 1.24 0.06 1.97 2.02 0.48 -4.99 118.70 112.16 1u9i s GLU 310 Ca 0.23 -1.32 -0.20 0.00 0.02 0.00 0.00 54.97 53.70 1u9i s GLU 310 Cb -0.12 -1.41 -0.06 0.00 0.10 0.00 0.00 34.13 32.63 1u9i s GLU 310 CO 0.98 0.31 0.58 1.03 0.02 0.00 0.00 175.26 178.17 1u9i s ARG 311 N -2.43 4.24 0.01 1.61 0.52 -1.25 -3.68 118.95 117.96 1u9i s ARG 311 Ca 0.13 0.75 -0.02 0.00 -0.52 0.00 0.00 55.73 56.07 1u9i s ARG 311 Cb -0.08 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 1u9i s ARG 311 CO 0.06 0.58 0.01 0.00 0.02 0.00 0.00 175.30 175.97 1u9i s ALA 312 N -0.92 -0.00 -0.07 2.13 0.00 0.14 0.14 121.76 123.17 1u9i s ALA 312 Ca 0.30 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.94 1u9i s ALA 312 Cb -0.19 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1u9i s ALA 312 CO 0.19 -0.14 -0.22 0.42 0.00 0.00 0.00 175.76 176.01 1u9i s ILE 313 N -1.15 2.30 -0.41 0.00 1.01 -0.93 -0.78 121.20 121.24 1u9i s ILE 313 Ca -0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 1u9i s ILE 313 Cb -0.08 -1.87 0.11 0.00 0.01 0.00 0.00 42.46 40.64 1u9i s ILE 313 CO -0.00 0.57 0.20 -0.22 0.00 0.00 0.00 174.94 175.48 1u9i s LEU 314 N -0.09 5.23 -0.59 2.97 2.96 0.16 -1.50 118.68 127.83 1u9i s LEU 314 Ca -0.05 -2.05 -0.26 0.00 -0.22 0.00 0.00 54.13 51.55 1u9i s LEU 314 Cb -0.14 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.77 1u9i s LEU 314 CO 0.04 -0.53 1.06 -0.36 -1.32 0.00 0.00 176.35 175.24 1u9i s PHE 315 N 1.11 2.67 -0.23 5.38 0.40 0.11 -1.13 117.98 126.29 1u9i s PHE 315 Ca 0.09 0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.38 1u9i s PHE 315 Cb -0.23 -4.29 -0.05 0.00 0.51 0.00 0.00 43.02 38.97 1u9i s PHE 315 CO -0.04 -1.53 0.14 0.00 0.70 0.00 0.00 175.22 174.49 1u9i s ALA 316 N 4.46 3.59 -0.17 5.36 0.00 -1.26 -1.29 121.76 132.45 1u9i s ALA 316 Ca 0.34 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1u9i s ALA 316 Cb -0.11 -2.25 0.18 0.00 0.00 0.00 0.00 23.12 20.94 1u9i s ALA 316 CO 0.20 -0.10 1.12 0.66 0.00 0.00 0.00 175.76 177.63 1u9i n TYR 317 N 4.10 0.14 0.00 0.00 4.02 -1.22 -1.97 117.16 122.23 1u9i n TYR 317 Ca -0.15 -0.70 0.00 0.00 -0.01 0.00 0.00 57.90 57.03 1u9i n TYR 317 Cb 0.52 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1u9i n TYR 317 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1u9i n GLU 318 N -0.70 0.68 -4.29 -0.72 1.02 -1.26 -4.54 120.64 110.83 1u9i n GLU 318 Ca 0.09 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 1u9i n GLU 318 Cb 0.46 -0.62 -0.10 0.00 -0.02 0.00 0.00 31.44 31.16 1u9i n GLU 318 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1u9i s GLU 319 N -1.24 1.94 0.97 3.49 2.02 -1.26 -5.12 118.70 119.50 1u9i s GLU 319 Ca 0.00 -1.19 -0.12 0.00 0.02 0.00 0.00 54.97 53.68 1u9i s GLU 319 Cb 0.00 -2.16 0.17 0.00 0.10 0.00 0.00 34.13 32.24 1u9i s GLU 319 CO 0.00 0.47 1.10 -1.54 0.02 0.00 0.00 175.26 175.31 1u9i s SER 320 N -2.41 2.91 0.14 -0.19 1.04 -1.26 -4.82 113.70 109.11 1u9i s SER 320 Ca 0.21 1.21 -0.16 0.00 0.48 0.00 0.00 55.95 57.69 1u9i s SER 320 Cb -0.10 -1.87 -0.00 0.00 0.10 0.00 0.00 66.02 64.15 1u9i s SER 320 CO 0.13 -2.96 1.71 0.03 0.98 0.00 0.00 173.24 173.13 1u9i h ARG 321 N -1.77 0.57 -0.43 4.02 3.08 -1.98 -1.86 114.38 116.02 1u9i h ARG 321 Ca -0.53 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.34 1u9i h ARG 321 Cb 1.32 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1u9i h ARG 321 CO 0.58 0.51 -0.09 0.00 -1.07 0.00 0.00 179.97 179.90 1u9i h ALA 322 N 1.04 0.59 -0.59 0.04 0.00 -2.00 -2.94 119.26 115.40 1u9i h ALA 322 Ca 0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1u9i h ALA 322 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1u9i h ALA 322 CO -0.02 0.46 0.18 0.37 0.00 0.00 0.00 179.25 180.25 1u9i h GLN 323 N 0.65 0.91 -0.99 0.00 4.15 -1.89 -1.26 115.11 116.68 1u9i h GLN 323 Ca 0.11 -0.20 0.13 0.00 0.77 0.00 0.00 58.65 59.46 1u9i h GLN 323 Cb 0.62 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 28.09 1u9i h GLN 323 CO 0.04 0.82 0.62 -0.07 -1.93 0.00 0.00 178.83 178.31 1u9i h LEU 324 N 0.83 0.89 -0.36 -2.39 3.38 -1.29 -1.12 115.31 115.26 1u9i h LEU 324 Ca 0.19 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1u9i h LEU 324 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1u9i h LEU 324 CO -0.01 0.46 -0.09 -0.07 0.09 0.00 0.00 178.44 178.83 1u9i h LEU 325 N 0.96 0.70 0.71 1.67 3.38 -1.24 0.77 115.31 122.26 1u9i h LEU 325 Ca 0.50 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1u9i h LEU 325 Cb 0.52 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1u9i h LEU 325 CO -0.28 0.90 -0.35 -0.09 0.09 0.00 0.00 178.44 178.72 1u9i h ARG 326 N 0.49 -0.93 -0.88 1.13 2.43 -0.38 1.00 114.38 117.24 1u9i h ARG 326 Ca 0.09 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1u9i h ARG 326 Cb 0.59 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 1u9i h ARG 326 CO 0.04 -0.62 0.57 -0.91 -1.51 0.00 0.00 179.97 177.54 1u9i h ASN 327 N -0.96 0.94 -0.04 -3.80 2.35 -1.27 -0.34 115.58 112.47 1u9i h ASN 327 Ca -0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1u9i h ASN 327 Cb 0.74 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1u9i h ASN 327 CO 0.16 0.65 0.02 0.00 -1.65 0.00 0.00 177.43 176.61 1u9i h ALA 328 N 1.36 0.05 -0.77 -0.83 0.00 -0.64 -1.91 119.26 116.52 1u9i h ALA 328 Ca 0.35 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1u9i h ALA 328 Cb -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1u9i h ALA 328 CO -0.11 -0.45 0.47 -0.92 0.00 0.00 0.00 179.25 178.24 1u9i h TYR 329 N 0.03 0.88 0.00 0.00 3.20 -0.22 0.26 116.97 121.13 1u9i h TYR 329 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1u9i h TYR 329 Cb 0.01 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1u9i h TYR 329 CO -0.07 0.47 0.00 0.77 -1.64 0.00 0.00 178.16 177.69 1u9i h SER 330 N 0.90 0.00 -0.54 -2.11 0.02 -0.55 0.41 113.55 111.68 1u9i h SER 330 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1u9i h SER 330 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1u9i h SER 330 CO -0.14 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.34 1u9i n TRP 331 N -2.77 1.76 0.00 3.45 8.01 0.05 -4.37 117.44 123.56 1u9i n TRP 331 Ca -0.01 -0.73 0.00 0.00 -1.31 0.00 0.00 57.50 55.45 1u9i n TRP 331 Cb 0.12 -0.42 0.00 0.00 -2.01 0.00 0.00 31.31 29.00 1u9i n TRP 331 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u9i n GLY 332 N 0.53 1.71 0.00 6.99 0.00 0.14 -4.21 105.19 110.36 1u9i n GLY 332 Ca 0.26 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1u9i n GLY 332 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1u9i n MET 333 N 5.30 0.00 -3.12 1.61 0.00 -1.26 -3.63 117.12 116.02 1u9i n MET 333 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1u9i n MET 333 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1u9i n MET 333 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1u9i s ASP 334 N 0.00 6.47 0.33 3.17 -1.08 -1.26 -3.51 116.67 120.79 1u9i s ASP 334 Ca 0.00 0.35 0.19 0.00 -0.52 0.00 0.00 52.55 52.58 1u9i s ASP 334 Cb 0.00 -2.33 0.16 0.00 -1.46 0.00 0.00 42.92 39.30 1u9i s ASP 334 CO 0.00 -0.50 1.44 -0.26 0.52 0.00 0.00 175.17 176.37 1u9i h PHE 335 N 8.25 0.00 0.40 -5.34 0.05 -1.88 -3.30 116.94 115.12 1u9i h PHE 335 Ca -0.27 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.52 1u9i h PHE 335 Cb 1.12 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.04 1u9i h PHE 335 CO 0.75 0.24 -0.46 0.93 -0.18 0.00 0.00 178.31 179.60 1u9i h GLU 336 N 0.00 -0.85 -0.38 1.51 4.39 -1.95 -2.61 114.58 114.70 1u9i h GLU 336 Ca -0.01 0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.77 1u9i h GLU 336 Cb 1.20 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 1u9i h GLU 336 CO 0.03 -0.57 0.19 1.49 -1.16 0.00 0.00 179.01 178.99 1u9i h GLU 337 N -0.88 0.37 -0.92 2.33 4.57 -2.01 -1.96 114.58 116.09 1u9i h GLU 337 Ca -0.04 -0.02 0.26 0.00 -1.18 0.00 0.00 59.36 58.38 1u9i h GLU 337 Cb 0.79 -0.08 -0.15 0.00 -0.16 0.00 0.00 28.75 29.15 1u9i h GLU 337 CO -0.10 0.25 0.27 0.52 -1.18 0.00 0.00 179.01 178.77 1u9i h MET 338 N 0.39 0.18 0.08 1.92 2.86 -1.59 0.09 114.93 118.85 1u9i h MET 338 Ca 0.16 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1u9i h MET 338 Cb 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1u9i h MET 338 CO -0.11 0.12 -0.04 0.93 1.06 0.00 0.00 176.91 178.87 1u9i h GLU 339 N 0.18 -0.10 -0.05 1.72 5.08 -0.99 -2.12 114.58 118.31 1u9i h GLU 339 Ca 0.60 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 59.00 1u9i h GLU 339 Cb 1.27 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1u9i h GLU 339 CO -0.69 0.33 -0.27 0.00 -1.00 0.00 0.00 179.01 177.38 1u9i h ARG 340 N -0.57 -0.37 0.00 2.33 3.08 -0.87 0.19 114.38 118.17 1u9i h ARG 340 Ca -0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1u9i h ARG 340 Cb 0.48 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1u9i h ARG 340 CO 0.02 -0.25 0.02 1.04 -1.07 0.00 0.00 179.97 179.73 1u9i n GLN 341 N -5.38 0.00 -2.99 0.04 6.02 -0.10 -4.76 117.38 110.21 1u9i n GLN 341 Ca -0.04 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.82 1u9i n GLN 341 Cb 0.30 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 30.06 1u9i n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1u9i n ASN 342 N -1.03 -5.22 -0.04 1.08 4.13 0.66 -4.85 115.26 109.98 1u9i n ASN 342 Ca 0.00 -0.24 -0.01 0.00 1.68 0.00 0.00 54.58 56.01 1u9i n ASN 342 Cb 0.02 -4.27 -0.11 0.00 -1.54 0.00 0.00 39.78 33.87 1u9i n ASN 342 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1u9i n LEU 343 N -3.72 0.00 -4.24 3.41 4.77 -0.93 -4.89 117.00 111.40 1u9i n LEU 343 Ca -0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 1u9i n LEU 343 Cb 0.61 0.20 -0.16 0.00 -2.33 0.00 0.00 43.42 41.74 1u9i n LEU 343 CO 0.43 0.20 -0.54 -0.22 -1.33 0.00 0.00 177.39 175.94 1u9i s LEU 344 N -4.61 2.03 -0.08 2.23 1.98 -0.84 0.23 118.68 119.63 1u9i s LEU 344 Ca -0.06 -0.42 0.01 0.00 -2.89 0.00 0.00 54.13 50.77 1u9i s LEU 344 Cb 0.06 -1.17 0.02 0.00 0.66 0.00 0.00 46.19 45.76 1u9i s LEU 344 CO 0.57 0.26 -0.08 -0.75 -1.89 0.00 0.00 176.35 174.46 1u9i s LYS 345 N -0.42 1.35 -0.17 1.98 2.20 0.04 -4.17 119.74 120.55 1u9i s LYS 345 Ca 0.06 -0.25 -0.04 0.00 -0.36 0.00 0.00 55.97 55.38 1u9i s LYS 345 Cb -0.10 -1.30 -0.03 0.00 -1.51 0.00 0.00 37.83 34.90 1u9i s LYS 345 CO 0.00 -0.12 -0.02 0.42 -0.36 0.00 0.00 175.35 175.27 1u9i s ILE 346 N 1.16 4.02 -0.03 5.43 -1.09 -1.26 0.41 121.20 129.84 1u9i s ILE 346 Ca -0.06 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1u9i s ILE 346 Cb -0.14 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1u9i s ILE 346 CO -0.02 0.48 -0.05 0.52 -1.23 0.00 0.00 174.94 174.64 1u9i n VAL 347 N 3.64 0.27 -0.61 2.92 0.31 -0.28 -4.95 118.33 119.63 1u9i n VAL 347 Ca -0.17 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1u9i n VAL 347 Cb 0.52 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1u9i n VAL 347 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u9i n ALA 349 N -0.05 0.00 -1.92 0.00 0.00 -0.83 -4.94 120.51 112.77 1u9i n ALA 349 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1u9i n ALA 349 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1u9i n ALA 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1u9i s TYR 350 N -0.48 3.11 0.59 0.00 1.51 -1.26 -4.43 117.35 116.39 1u9i s TYR 350 Ca 0.00 1.13 0.29 0.00 -1.01 0.00 0.00 57.07 57.48 1u9i s TYR 350 Cb 0.00 -3.72 1.48 0.00 -0.11 0.00 0.00 41.96 39.60 1u9i s TYR 350 CO 0.00 -2.30 1.90 -1.35 -1.11 0.00 0.00 175.55 172.69 1u9i h PRO 351 N 5.03 0.00 0.00 -1.71 0.11 -1.86 0.26 132.00 133.83 1u9i h PRO 351 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1u9i h PRO 351 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1u9i h PRO 351 CO 0.77 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.95 1u9i n GLU 352 N -3.74 0.13 0.00 1.05 4.71 -1.26 -3.50 120.64 118.02 1u9i n GLU 352 Ca 0.09 0.13 0.08 0.00 -0.01 0.00 0.00 57.16 57.44 1u9i n GLU 352 Cb 0.68 -1.65 0.48 0.00 -1.01 0.00 0.00 31.44 29.94 1u9i n GLU 352 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1u9i n SER 353 N -1.88 0.00 -3.61 1.62 3.41 0.91 -4.86 113.62 109.21 1u9i n SER 353 Ca 0.06 -1.19 -0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1u9i n SER 353 Cb 0.37 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1u9i n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u9i s ALA 354 N -2.00 -2.18 0.34 7.33 0.00 -1.23 -5.05 121.76 118.96 1u9i s ALA 354 Ca 0.24 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 1u9i s ALA 354 Cb 0.11 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1u9i s ALA 354 CO 0.19 -0.92 0.59 0.20 0.00 0.00 0.00 175.76 175.82 1u9i s GLY 355 N -2.74 1.67 0.27 0.00 0.00 -1.26 -4.90 107.32 100.35 1u9i s GLY 355 Ca 0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 1u9i s GLY 355 CO -0.04 -0.53 1.61 1.41 0.00 0.00 0.00 173.10 175.55 1u9i h LEU 356 N 1.21 -0.43 -0.53 0.66 4.07 -1.94 0.24 115.31 118.60 1u9i h LEU 356 Ca -0.48 0.23 0.11 0.00 0.08 0.00 0.00 57.88 57.82 1u9i h LEU 356 Cb 1.20 0.41 -0.09 0.00 1.08 0.00 0.00 40.66 43.26 1u9i h LEU 356 CO 0.64 -0.25 -0.06 1.05 -1.08 0.00 0.00 178.44 178.75 1u9i h GLU 357 N 0.07 0.06 -0.26 1.13 4.11 -1.96 0.71 114.58 118.44 1u9i h GLU 357 Ca 0.48 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.90 1u9i h GLU 357 Cb 0.90 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1u9i h GLU 357 CO -0.78 0.04 0.12 -0.44 0.07 0.00 0.00 179.01 178.02 1u9i h ASP 358 N 0.06 0.34 0.03 3.06 3.32 -1.35 -2.48 116.42 119.41 1u9i h ASP 358 Ca 0.27 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1u9i h ASP 358 Cb 0.41 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1u9i h ASP 358 CO -0.49 0.38 -0.16 0.45 -1.72 0.00 0.00 179.24 177.70 1u9i h HIS 359 N 0.28 -0.41 -0.72 4.55 3.86 -0.71 0.19 115.15 122.19 1u9i h HIS 359 Ca 0.09 0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.47 1u9i h HIS 359 Cb 0.13 0.18 -0.11 0.00 1.06 0.00 0.00 27.41 28.67 1u9i h HIS 359 CO -0.02 -0.23 0.15 1.25 0.86 0.00 0.00 177.93 179.94 1u9i h LEU 360 N -0.28 -0.03 0.08 2.43 6.46 -0.80 0.28 115.31 123.46 1u9i h LEU 360 Ca 0.04 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1u9i h LEU 360 Cb 0.33 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1u9i h LEU 360 CO -0.13 -0.05 -0.04 -0.61 -0.62 0.00 0.00 178.44 176.99 1u9i h GLN 361 N 0.25 -0.10 -0.93 1.25 4.15 -0.92 -0.79 115.11 118.01 1u9i h GLN 361 Ca 0.40 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.93 1u9i h GLN 361 Cb 0.68 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.32 1u9i h GLN 361 CO -0.51 0.14 0.57 0.82 -1.93 0.00 0.00 178.83 177.92 1u9i h ILE 362 N -0.34 0.95 -0.47 2.39 1.08 0.10 0.20 117.51 121.42 1u9i h ILE 362 Ca -0.01 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1u9i h ILE 362 Cb 0.29 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 1u9i h ILE 362 CO 0.02 0.17 0.15 0.40 -0.69 0.00 0.00 178.15 178.20 1u9i h ILE 363 N 0.95 1.23 0.64 -0.67 2.04 -0.29 -0.62 117.51 120.79 1u9i h ILE 363 Ca 0.44 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1u9i h ILE 363 Cb 0.37 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1u9i h ILE 363 CO -0.24 0.27 -0.31 0.11 0.00 0.00 0.00 178.15 177.99 1u9i h LYS 364 N 0.63 -0.82 -0.46 2.37 1.57 0.42 -2.02 116.57 118.26 1u9i h LYS 364 Ca 0.15 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 1u9i h LYS 364 Cb 0.27 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1u9i h LYS 364 CO -0.00 -0.55 0.15 0.66 -0.57 0.00 0.00 179.45 179.14 1u9i h SER 365 N -0.86 0.13 -0.91 0.86 4.64 -0.62 -0.42 113.55 116.38 1u9i h SER 365 Ca -0.09 0.06 0.13 0.00 -0.47 0.00 0.00 61.79 61.43 1u9i h SER 365 Cb 0.66 0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 1u9i h SER 365 CO 0.14 0.11 0.58 -0.33 -0.87 0.00 0.00 176.83 176.46 1u9i h GLU 366 N 0.31 0.75 -0.23 4.77 5.08 -1.02 0.12 114.58 124.36 1u9i h GLU 366 Ca 0.22 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1u9i h GLU 366 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1u9i h GLU 366 CO -0.24 0.49 -0.40 0.82 -1.00 0.00 0.00 179.01 178.68 1u9i h ILE 367 N 0.77 1.30 0.00 3.13 2.04 -0.36 -2.92 117.51 121.48 1u9i h ILE 367 Ca 0.45 -1.56 -0.19 0.00 1.00 0.00 0.00 64.86 64.56 1u9i h ILE 367 Cb 0.63 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1u9i h ILE 367 CO -0.21 0.49 -0.86 0.78 0.00 0.00 0.00 178.15 178.34 1u9i h ASN 368 N 0.44 0.14 -0.16 1.72 2.35 0.11 -1.32 115.58 118.85 1u9i h ASN 368 Ca 0.04 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1u9i h ASN 368 Cb 0.89 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1u9i h ASN 368 CO 0.08 0.93 0.00 0.47 -1.65 0.00 0.00 177.43 177.26 1u9i n ASP 369 N -3.61 1.35 0.00 5.81 8.00 -0.14 -4.15 116.55 123.83 1u9i n ASP 369 Ca -0.02 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1u9i n ASP 369 Cb 0.81 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1u9i n ASP 369 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1u9i n PHE 370 N 0.14 0.00 -4.24 1.24 7.35 -1.11 -5.06 117.46 115.78 1u9i n PHE 370 Ca 0.14 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.50 1u9i n PHE 370 Cb 0.26 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.02 1u9i n PHE 370 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1u9i n LYS 371 N 0.00 -0.81 -1.45 -4.13 -0.00 -0.50 -4.89 118.16 106.38 1u9i n LYS 371 Ca 0.00 0.08 -0.35 0.00 -0.00 0.00 0.00 58.31 58.04 1u9i n LYS 371 Cb 0.18 -3.27 0.10 0.00 -0.00 0.00 0.00 35.03 32.03 1u9i n LYS 371 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1u9i s PRO 372 N -7.31 2.12 -0.20 -1.58 0.02 -1.26 -4.75 135.00 122.05 1u9i s PRO 372 Ca 0.09 1.91 0.14 0.00 0.02 0.00 0.00 61.00 63.16 1u9i s PRO 372 Cb -0.05 -1.81 -0.22 0.00 0.02 0.00 0.00 34.50 32.44 1u9i s PRO 372 CO 0.97 -1.89 0.01 0.00 -0.33 0.00 0.00 177.00 175.76 1u9i n ALA 373 N -2.57 1.52 -2.55 -1.55 0.00 0.36 -4.88 120.51 110.85 1u9i n ALA 373 Ca 0.15 -1.22 -0.16 0.00 0.00 0.00 0.00 53.44 52.21 1u9i n ALA 373 Cb 0.49 -0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 1u9i n ALA 373 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u9i s ARG 374 N -2.47 0.89 -0.03 0.00 0.52 -1.10 -2.41 118.95 114.34 1u9i s ARG 374 Ca -0.14 -1.13 -0.04 0.00 -0.52 0.00 0.00 55.73 53.90 1u9i s ARG 374 Cb 0.06 -0.70 0.01 0.00 0.52 0.00 0.00 34.95 34.84 1u9i s ARG 374 CO 0.74 0.13 0.10 0.42 0.02 0.00 0.00 175.30 176.70 1u9i s ILE 375 N -2.07 0.01 -0.05 1.52 1.01 -0.20 -2.20 121.20 119.23 1u9i s ILE 375 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1u9i s ILE 375 Cb -0.05 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1u9i s ILE 375 CO 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 174.94 174.88 1u9i s ALA 376 N -0.15 0.59 -0.36 9.38 0.00 -0.57 -0.59 121.76 130.07 1u9i s ALA 376 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1u9i s ALA 376 Cb -0.02 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.70 1u9i s ALA 376 CO 0.00 -0.14 0.13 0.42 0.00 0.00 0.00 175.76 176.17 1u9i s ILE 377 N 1.21 3.34 -0.70 0.00 1.01 -0.70 -0.71 121.20 124.64 1u9i s ILE 377 Ca -0.07 -1.65 -0.27 0.00 0.00 0.00 0.00 60.65 58.66 1u9i s ILE 377 Cb -0.14 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.26 1u9i s ILE 377 CO -0.02 -0.41 1.36 -0.62 0.00 0.00 0.00 174.94 175.25 1u9i s ASP 378 N 1.60 6.05 0.00 3.58 -1.08 -0.41 -2.14 116.67 124.28 1u9i s ASP 378 Ca 0.02 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 1u9i s ASP 378 Cb -0.21 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1u9i s ASP 378 CO -0.02 -1.88 0.00 -0.24 0.52 0.00 0.00 175.17 173.55 1u9i n SER 379 N 9.80 -1.44 0.09 -0.34 2.88 -1.21 -3.41 113.62 119.99 1u9i n SER 379 Ca 0.06 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.45 1u9i n SER 379 Cb 0.49 -0.72 -0.14 0.00 -0.75 0.00 0.00 64.21 63.10 1u9i n SER 379 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1u9i h LEU 380 N 0.00 0.40 -1.63 2.46 3.38 -0.21 -3.22 115.31 116.49 1u9i h LEU 380 Ca 0.00 -0.45 0.20 0.00 0.09 0.00 0.00 57.88 57.72 1u9i h LEU 380 Cb 0.00 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1u9i h LEU 380 CO 0.00 1.36 0.57 0.77 0.09 0.00 0.00 178.44 181.23 1u9i h SER 381 N 0.07 0.32 0.34 -0.43 4.64 -1.91 0.28 113.55 116.86 1u9i h SER 381 Ca -0.16 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.06 1u9i h SER 381 Cb 1.98 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 64.02 1u9i h SER 381 CO 0.19 0.13 -0.56 0.00 -0.87 0.00 0.00 176.83 175.72 1u9i h ALA 382 N 1.62 0.90 0.00 5.18 0.00 -1.90 -2.46 119.26 122.61 1u9i h ALA 382 Ca 0.43 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u9i h ALA 382 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1u9i h ALA 382 CO -0.13 0.70 0.00 -0.07 0.00 0.00 0.00 179.25 179.75 1u9i h LEU 383 N 0.18 0.00 -0.18 0.00 3.38 -0.60 -2.93 115.31 115.16 1u9i h LEU 383 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u9i h LEU 383 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1u9i h LEU 383 CO 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.58 1u9i n ALA 384 N -1.91 2.65 -1.69 1.53 0.00 -0.56 -4.77 120.51 115.76 1u9i n ALA 384 Ca 0.03 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 1u9i n ALA 384 Cb 0.37 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1u9i n ALA 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u9i n ARG 385 N -0.92 2.67 0.00 0.00 1.74 -1.11 -3.68 116.66 115.35 1u9i n ARG 385 Ca 0.18 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 1u9i n ARG 385 Cb 0.22 -2.85 0.00 0.00 -1.02 0.00 0.00 32.46 28.81 1u9i n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u9i n GLY 386 N 4.16 1.09 3.29 -0.13 0.00 -1.26 -4.94 105.19 107.39 1u9i n GLY 386 Ca 0.18 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1u9i n GLY 386 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u9i n VAL 387 N 0.00 0.54 -2.58 1.61 0.31 -1.24 -4.91 118.33 112.06 1u9i n VAL 387 Ca 0.00 -0.49 -0.36 0.00 -0.01 0.00 0.00 64.34 63.48 1u9i n VAL 387 Cb 0.00 -0.17 -0.04 0.00 -0.91 0.00 0.00 33.84 32.71 1u9i n VAL 387 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u9i s SER 388 N -1.06 6.70 0.26 4.52 1.04 -1.26 -4.89 113.70 119.01 1u9i s SER 388 Ca 0.58 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.97 1u9i s SER 388 Cb -0.46 -2.58 0.51 0.00 0.10 0.00 0.00 66.02 63.60 1u9i s SER 388 CO 0.65 -0.53 1.75 -1.13 0.98 0.00 0.00 173.24 174.96 1u9i h ASN 389 N 2.28 0.43 -0.68 7.02 -0.73 -1.93 -0.32 115.58 121.64 1u9i h ASN 389 Ca -0.49 0.10 -0.07 0.00 1.87 0.00 0.00 56.30 57.72 1u9i h ASN 389 Cb 1.21 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.81 1u9i h ASN 389 CO 0.62 0.17 0.16 0.78 -0.37 0.00 0.00 177.43 178.79 1u9i h ASN 390 N 0.55 1.04 -0.36 1.15 2.35 -1.97 0.17 115.58 118.51 1u9i h ASN 390 Ca 0.45 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1u9i h ASN 390 Cb 0.65 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1u9i h ASN 390 CO -0.38 1.00 0.02 0.00 -1.65 0.00 0.00 177.43 176.42 1u9i h ALA 391 N 1.13 1.20 0.41 -0.83 0.00 -1.58 -2.59 119.26 116.99 1u9i h ALA 391 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1u9i h ALA 391 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u9i h ALA 391 CO 0.00 0.53 -0.20 0.35 0.00 0.00 0.00 179.25 179.94 1u9i h PHE 392 N 0.68 -0.51 -0.97 0.00 3.57 -0.24 -2.56 116.94 116.91 1u9i h PHE 392 Ca 0.14 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.76 1u9i h PHE 392 Cb 0.39 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 1u9i h PHE 392 CO 0.02 -0.21 0.61 0.00 -2.23 0.00 0.00 178.31 176.51 1u9i h ARG 393 N -0.78 0.85 0.00 1.11 3.08 -0.97 0.29 114.38 117.96 1u9i h ARG 393 Ca -0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1u9i h ARG 393 Cb 0.53 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1u9i h ARG 393 CO 0.09 0.56 -0.15 0.37 -1.07 0.00 0.00 179.97 179.77 1u9i h GLN 394 N 0.87 0.00 0.19 0.04 4.15 -1.39 0.21 115.11 119.19 1u9i h GLN 394 Ca 0.49 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.59 1u9i h GLN 394 Cb 0.61 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.32 1u9i h GLN 394 CO -0.26 0.15 -1.51 0.35 -1.93 0.00 0.00 178.83 175.63 1u9i h PHE 395 N 0.00 0.75 0.19 3.99 3.57 -0.12 -2.79 116.94 122.52 1u9i h PHE 395 Ca -0.00 -0.54 -0.01 0.00 3.53 0.00 0.00 57.97 60.94 1u9i h PHE 395 Cb 0.30 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1u9i h PHE 395 CO 0.00 1.51 -0.09 0.28 -2.23 0.00 0.00 178.31 177.78 1u9i h VAL 396 N 0.11 0.88 -0.99 1.41 2.07 -0.21 -1.33 116.25 118.19 1u9i h VAL 396 Ca -0.25 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.07 1u9i h VAL 396 Cb 2.09 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 32.85 1u9i h VAL 396 CO 0.22 0.07 0.62 0.40 0.02 0.00 0.00 177.57 178.91 1u9i h ILE 397 N -0.41 0.91 0.44 4.57 1.08 -0.72 0.14 117.51 123.52 1u9i h ILE 397 Ca -0.03 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1u9i h ILE 397 Cb 0.31 -0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 33.91 1u9i h ILE 397 CO 0.04 0.18 -0.29 1.23 -0.69 0.00 0.00 178.15 178.62 1u9i h GLY 398 N 0.97 -0.93 1.01 5.37 0.00 -1.15 0.22 103.07 108.56 1u9i h GLY 398 Ca 0.50 0.39 0.00 0.00 0.00 0.00 0.00 47.33 48.22 1u9i h GLY 398 CO -0.27 -0.32 0.49 -2.08 0.00 0.00 0.00 176.54 174.36 1u9i h VAL 399 N -0.69 1.20 0.62 4.60 2.07 -1.00 -1.03 116.25 122.01 1u9i h VAL 399 Ca -0.06 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1u9i h VAL 399 Cb 0.56 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1u9i h VAL 399 CO 0.05 0.20 -0.38 0.74 0.02 0.00 0.00 177.57 178.20 1u9i h THR 400 N 1.02 0.23 -0.25 2.57 2.02 -0.71 -1.59 112.91 116.21 1u9i h THR 400 Ca 0.27 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.50 1u9i h THR 400 Cb -0.10 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 1u9i h THR 400 CO -0.06 0.00 0.01 1.23 0.37 0.00 0.00 175.52 177.08 1u9i h GLY 401 N -0.94 0.26 0.67 2.16 0.00 -0.42 -1.34 103.07 103.45 1u9i h GLY 401 Ca -0.08 0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.37 1u9i h GLY 401 CO 0.08 -0.04 0.60 -1.82 0.00 0.00 0.00 176.54 175.36 1u9i h TYR 402 N 0.10 1.03 -0.34 5.60 3.20 -1.12 -0.94 116.97 124.49 1u9i h TYR 402 Ca 0.12 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.88 1u9i h TYR 402 Cb 0.15 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1u9i h TYR 402 CO -0.19 0.47 -0.35 0.00 -1.64 0.00 0.00 178.16 176.45 1u9i h ALA 403 N 1.54 0.73 0.44 1.82 0.00 -0.62 -2.83 119.26 120.34 1u9i h ALA 403 Ca 0.43 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u9i h ALA 403 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1u9i h ALA 403 CO -0.19 0.66 -0.21 0.87 0.00 0.00 0.00 179.25 180.37 1u9i h LYS 404 N 0.65 -0.58 0.00 0.00 1.57 -0.17 -1.40 116.57 116.65 1u9i h LYS 404 Ca 0.06 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1u9i h LYS 404 Cb 0.90 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1u9i h LYS 404 CO 0.08 -0.27 0.00 0.00 -0.57 0.00 0.00 179.45 178.69 1u9i n GLN 405 N -5.23 0.13 -0.17 3.15 10.64 -0.46 -1.71 117.38 123.73 1u9i n GLN 405 Ca -0.10 0.18 0.07 0.00 -1.83 0.00 0.00 57.00 55.31 1u9i n GLN 405 Cb 0.30 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.33 1u9i n GLN 405 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1u9i n GLU 406 N -1.23 2.40 -1.84 2.61 4.07 -1.07 -4.88 120.64 120.70 1u9i n GLU 406 Ca 0.04 -1.98 -0.18 0.00 -0.06 0.00 0.00 57.16 54.98 1u9i n GLU 406 Cb 0.05 -1.31 -0.05 0.00 -0.06 0.00 0.00 31.44 30.07 1u9i n GLU 406 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1u9i n GLU 407 N 0.74 -1.33 -3.68 5.31 -0.58 -0.69 -4.98 120.64 115.43 1u9i n GLU 407 Ca 0.13 1.03 -0.36 0.00 -0.42 0.00 0.00 57.16 57.55 1u9i n GLU 407 Cb 0.44 -5.39 -0.08 0.00 -0.57 0.00 0.00 31.44 25.83 1u9i n GLU 407 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1u9i s ILE 408 N -2.76 5.38 0.07 -3.67 1.01 -0.55 -4.83 121.20 115.85 1u9i s ILE 408 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 1u9i s ILE 408 Cb 0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1u9i s ILE 408 CO 0.00 0.41 1.00 -0.89 0.00 0.00 0.00 174.94 175.46 1u9i s THR 409 N 0.53 4.54 -0.08 2.92 2.01 -1.01 -4.43 115.64 120.11 1u9i s THR 409 Ca 0.09 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.07 1u9i s THR 409 Cb -0.12 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.15 1u9i s THR 409 CO 0.00 0.23 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.26 1u9i s GLY 410 N 0.47 0.73 -0.30 4.40 0.00 -1.04 -1.03 107.32 110.55 1u9i s GLY 410 Ca 0.50 -0.39 -0.10 0.00 0.00 0.00 0.00 44.72 44.74 1u9i s GLY 410 CO 0.30 0.55 0.15 -2.27 0.00 0.00 0.00 173.10 171.82 1u9i s LEU 411 N 1.26 3.99 -0.07 0.66 2.96 0.25 -0.32 118.68 127.41 1u9i s LEU 411 Ca -0.04 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1u9i s LEU 411 Cb -0.14 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1u9i s LEU 411 CO -0.03 -0.15 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.39 1u9i s PHE 412 N 1.64 2.83 0.03 5.38 0.40 0.17 -1.72 117.98 126.70 1u9i s PHE 412 Ca 0.05 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1u9i s PHE 412 Cb -0.17 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1u9i s PHE 412 CO 0.07 0.20 0.12 0.99 0.70 0.00 0.00 175.22 177.29 1u9i s THR 413 N -0.60 4.90 -0.10 0.64 2.01 -0.91 -0.81 115.64 120.77 1u9i s THR 413 Ca 0.09 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1u9i s THR 413 Cb -0.11 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.14 1u9i s THR 413 CO 0.02 0.25 0.20 0.21 -0.69 0.00 0.00 174.62 174.61 1u9i s ASN 414 N -2.07 0.30 -0.24 3.53 2.47 -0.12 0.45 114.94 119.26 1u9i s ASN 414 Ca 0.27 0.44 -0.11 0.00 0.42 0.00 0.00 52.86 53.89 1u9i s ASN 414 Cb -0.12 0.41 -0.05 0.00 -1.45 0.00 0.00 41.25 40.04 1u9i s ASN 414 CO 0.19 -0.21 0.16 -0.89 -3.72 0.00 0.00 177.10 172.63 1u9i s THR 415 N 1.95 5.36 0.28 -5.21 2.01 -1.26 -2.18 115.64 116.59 1u9i s THR 415 Ca -0.02 0.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.92 1u9i s THR 415 Cb -0.12 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1u9i s THR 415 CO -0.07 0.34 0.89 -0.94 -0.69 0.00 0.00 174.62 174.15 1u9i s SER 416 N 1.08 7.32 0.65 3.53 1.04 -1.13 -4.89 113.70 121.29 1u9i s SER 416 Ca 0.08 1.75 0.42 0.00 0.48 0.00 0.00 55.95 58.68 1u9i s SER 416 Cb -0.14 -2.55 2.25 0.00 0.10 0.00 0.00 66.02 65.68 1u9i s SER 416 CO 0.05 -0.01 2.32 0.44 0.98 0.00 0.00 173.24 177.02 1u9i h ASP 417 N 3.39 0.00 -3.33 7.02 3.32 -1.97 -3.42 116.42 121.44 1u9i h ASP 417 Ca -0.47 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.10 1u9i h ASP 417 Cb 1.19 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.39 1u9i h ASP 417 CO 0.65 0.00 -0.79 0.00 -1.72 0.00 0.00 179.24 177.39 1u9i s GLN 418 N -4.15 1.26 -0.07 3.56 -2.07 -1.26 -5.08 119.66 111.85 1u9i s GLN 418 Ca -0.04 -0.20 -0.30 0.00 -1.82 0.00 0.00 55.36 53.00 1u9i s GLN 418 Cb 0.13 -1.26 -0.02 0.00 -1.09 0.00 0.00 33.01 30.77 1u9i s GLN 418 CO 0.44 -0.15 1.07 -0.59 -1.32 0.00 0.00 175.29 174.75 1u9i s PHE 419 N 1.27 3.43 0.22 9.60 -0.12 -1.26 -4.26 117.98 126.86 1u9i s PHE 419 Ca -0.04 1.47 0.00 0.00 -0.05 0.00 0.00 56.93 58.31 1u9i s PHE 419 Cb -0.14 -3.27 0.00 0.00 -0.63 0.00 0.00 43.02 38.99 1u9i s PHE 419 CO -0.02 -0.60 0.00 -1.33 -0.05 0.00 0.00 175.22 173.22 1u9i n MET 420 N 4.86 -2.96 0.00 1.99 2.81 -1.26 -4.78 117.12 117.78 1u9i n MET 420 Ca 0.09 2.14 0.00 0.00 -1.81 0.00 0.00 57.70 58.12 1u9i n MET 420 Cb 0.48 -2.36 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 1u9i n MET 420 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u9i n GLY 421 N 0.03 2.26 3.68 3.03 0.00 -0.94 -4.99 105.19 108.26 1u9i n GLY 421 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.44 1u9i n GLY 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9i n ALA 422 N -1.00 -0.21 0.22 4.61 0.00 -1.26 -4.83 120.51 118.04 1u9i n ALA 422 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.92 1u9i n ALA 422 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 19.45 17.27 1u9i n ALA 422 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u9i n HIS 423 N 5.63 0.83 -4.59 0.00 8.25 -1.26 -4.89 115.22 119.20 1u9i n HIS 423 Ca 0.29 0.24 -0.27 0.00 -0.26 0.00 0.00 57.72 57.72 1u9i n HIS 423 Cb 0.11 -0.86 -0.14 0.00 1.12 0.00 0.00 29.99 30.22 1u9i n HIS 423 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1u9i s SER 424 N -5.04 2.91 0.17 0.41 1.04 -1.26 -5.04 113.70 106.89 1u9i s SER 424 Ca 0.01 -0.63 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 1u9i s SER 424 Cb 0.11 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.07 1u9i s SER 424 CO 0.78 0.18 1.81 0.40 0.98 0.00 0.00 173.24 177.39 1u9i h ILE 425 N 4.15 1.15 -3.93 -1.02 2.04 -2.03 -3.43 117.51 114.45 1u9i h ILE 425 Ca -0.46 -0.33 -0.39 0.00 1.00 0.00 0.00 64.86 64.67 1u9i h ILE 425 Cb 1.16 0.42 -0.29 0.00 -0.74 0.00 0.00 36.82 37.36 1u9i h ILE 425 CO 0.42 0.16 -0.78 0.42 0.00 0.00 0.00 178.15 178.37 1u9i s THR 426 N -6.03 0.67 0.17 -0.27 -4.23 -1.26 -4.83 115.64 99.86 1u9i s THR 426 Ca -0.13 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.01 1u9i s THR 426 Cb 0.12 -0.58 -0.08 0.00 1.34 0.00 0.00 72.50 73.30 1u9i s THR 426 CO 0.75 0.20 1.46 0.44 -0.54 0.00 0.00 174.62 176.93 1u9i h ASP 427 N 6.13 0.61 0.87 3.99 3.32 -1.94 -2.98 116.42 126.42 1u9i h ASP 427 Ca -0.31 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.38 1u9i h ASP 427 Cb 1.18 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1u9i h ASP 427 CO 0.49 1.09 0.00 -1.54 -1.72 0.00 0.00 179.24 177.57 1u9i n SER 428 N -3.91 0.01 -2.88 6.45 3.41 -1.26 -4.96 113.62 110.47 1u9i n SER 428 Ca -0.04 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.04 1u9i n SER 428 Cb 0.66 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1u9i n SER 428 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u9i n HIS 429 N -1.51 -3.04 0.00 7.33 8.25 -1.13 -4.95 115.22 120.17 1u9i n HIS 429 Ca 0.06 1.19 0.00 0.00 -0.26 0.00 0.00 57.72 58.71 1u9i n HIS 429 Cb 0.30 -3.97 0.00 0.00 1.12 0.00 0.00 29.99 27.44 1u9i n HIS 429 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u9i n ILE 430 N -1.09 0.00 0.00 1.59 5.41 -1.26 -4.91 119.36 119.09 1u9i n ILE 430 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1u9i n ILE 430 Cb 0.47 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1u9i n ILE 430 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1u9i n SER 431 N -1.67 0.00 0.00 4.38 3.41 -1.26 -3.10 113.62 115.38 1u9i n SER 431 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1u9i n SER 431 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1u9i n SER 431 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1u9i n ILE 433 N 1.40 0.00 -3.25 -1.33 -0.00 -1.26 -4.73 119.36 110.19 1u9i n ILE 433 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.44 1u9i n ILE 433 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 1u9i n ILE 433 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1u9i s THR 434 N 0.00 4.87 -0.12 1.39 -1.32 -1.18 -5.00 115.64 114.28 1u9i s THR 434 Ca 0.00 0.52 -0.22 0.00 -1.21 0.00 0.00 61.69 60.78 1u9i s THR 434 Cb 0.00 -3.66 -0.26 0.00 -1.51 0.00 0.00 72.50 67.07 1u9i s THR 434 CO 0.00 -0.22 0.63 0.44 -2.21 0.00 0.00 174.62 173.26 1u9i h ASP 435 N 2.10 0.23 -3.72 8.08 3.32 -1.62 -3.47 116.42 121.34 1u9i h ASP 435 Ca -0.47 -0.85 -0.65 0.00 0.02 0.00 0.00 57.03 55.07 1u9i h ASP 435 Cb 1.18 -0.08 -0.32 0.00 0.22 0.00 0.00 39.33 40.33 1u9i h ASP 435 CO 0.67 1.38 -0.87 -0.89 -1.72 0.00 0.00 179.24 177.81 1u9i s THR 436 N -2.38 1.89 -0.16 0.35 2.01 -0.83 -2.86 115.64 113.66 1u9i s THR 436 Ca -0.20 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 60.86 1u9i s THR 436 Cb 0.02 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1u9i s THR 436 CO 0.73 0.53 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.38 1u9i s ILE 437 N 0.10 1.79 -0.17 1.82 1.01 -0.58 -0.30 121.20 124.88 1u9i s ILE 437 Ca -0.10 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1u9i s ILE 437 Cb -0.15 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 1u9i s ILE 437 CO 0.05 0.50 -0.07 -0.63 0.00 0.00 0.00 174.94 174.79 1u9i s ILE 438 N 1.32 3.45 -0.18 2.92 -1.09 0.12 0.31 121.20 128.06 1u9i s ILE 438 Ca 0.03 -0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1u9i s ILE 438 Cb -0.13 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 1u9i s ILE 438 CO -0.10 0.48 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.77 1u9i s LEU 439 N 0.71 2.75 -0.13 2.97 2.96 -0.01 -1.20 118.68 126.73 1u9i s LEU 439 Ca -0.03 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1u9i s LEU 439 Cb -0.15 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1u9i s LEU 439 CO 0.02 0.06 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.32 1u9i s LEU 440 N 0.98 3.35 0.08 -0.68 1.43 0.33 -1.25 118.68 122.93 1u9i s LEU 440 Ca -0.01 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1u9i s LEU 440 Cb -0.15 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1u9i s LEU 440 CO -0.01 0.25 0.24 0.00 0.23 0.00 0.00 176.35 177.06 1u9i s GLN 441 N -0.11 0.85 0.23 1.70 -2.07 -0.29 -4.09 119.66 115.87 1u9i s GLN 441 Ca 0.03 -0.81 -0.11 0.00 -1.82 0.00 0.00 55.36 52.64 1u9i s GLN 441 Cb -0.13 0.35 -0.07 0.00 -1.09 0.00 0.00 33.01 32.07 1u9i s GLN 441 CO 0.02 -0.28 0.57 0.71 -1.32 0.00 0.00 175.29 175.00 1u9i s TYR 442 N -3.49 3.45 -0.08 9.60 1.51 -1.26 -0.65 117.35 126.43 1u9i s TYR 442 Ca 0.02 0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 57.01 1u9i s TYR 442 Cb 0.03 -2.31 0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1u9i s TYR 442 CO -0.09 0.28 0.02 0.08 -1.11 0.00 0.00 175.55 174.72 1u9i s VAL 443 N -1.77 0.31 -0.20 0.71 1.01 0.93 -4.52 120.40 116.86 1u9i s VAL 443 Ca 0.46 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 1u9i s VAL 443 Cb -0.12 -0.53 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1u9i s VAL 443 CO 0.20 0.19 1.17 -0.70 0.00 0.00 0.00 175.10 175.97 1u9i s GLU 444 N 1.99 4.22 -0.19 2.72 2.12 0.57 -1.35 118.70 128.78 1u9i s GLU 444 Ca 0.04 1.51 -0.05 0.00 0.36 0.00 0.00 54.97 56.83 1u9i s GLU 444 Cb -0.13 -3.72 0.07 0.00 0.26 0.00 0.00 34.13 30.61 1u9i s GLU 444 CO -0.05 -0.70 0.10 0.42 -0.54 0.00 0.00 175.26 174.49 1u9i s ILE 445 N 3.43 -0.10 -1.20 -3.70 1.01 -0.12 -4.44 121.20 116.08 1u9i s ILE 445 Ca 0.50 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1u9i s ILE 445 Cb -0.19 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 1u9i s ILE 445 CO 0.12 -0.36 0.98 0.54 0.00 0.00 0.00 174.94 176.22 1u9i n ARG 446 N 5.28 -6.48 -0.94 2.79 1.74 -1.26 -2.55 116.66 115.23 1u9i n ARG 446 Ca -0.07 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1u9i n ARG 446 Cb 0.48 -5.83 0.00 0.00 -1.02 0.00 0.00 32.46 26.08 1u9i n ARG 446 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u9i n GLY 447 N -1.15 0.38 3.31 -0.13 0.00 -1.26 -5.00 105.19 101.33 1u9i n GLY 447 Ca -0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1u9i n GLY 447 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9i s GLU 448 N -0.70 1.22 -0.54 1.61 2.02 -1.06 -5.10 118.70 116.15 1u9i s GLU 448 Ca 0.00 -1.19 -0.20 0.00 0.02 0.00 0.00 54.97 53.60 1u9i s GLU 448 Cb 0.00 -1.52 0.06 0.00 0.10 0.00 0.00 34.13 32.77 1u9i s GLU 448 CO 0.00 0.36 0.73 -1.64 0.02 0.00 0.00 175.26 174.73 1u9i s MET 449 N -1.87 3.16 0.25 1.61 -1.94 -1.26 -0.94 119.30 118.30 1u9i s MET 449 Ca 0.08 -0.80 0.07 0.00 -1.71 0.00 0.00 55.69 53.32 1u9i s MET 449 Cb -0.10 -4.12 -0.03 0.00 2.01 0.00 0.00 34.83 32.59 1u9i s MET 449 CO 0.04 -1.37 0.23 -1.54 -0.01 0.00 0.00 175.02 172.37 1u9i s SER 450 N 2.93 5.67 0.25 3.03 1.04 -0.46 -4.90 113.70 121.25 1u9i s SER 450 Ca 0.19 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.47 1u9i s SER 450 Cb -0.18 -1.48 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 1u9i s SER 450 CO 0.13 -0.05 0.31 -0.13 0.98 0.00 0.00 173.24 174.47 1u9i s ARG 451 N -3.87 3.26 -0.06 4.02 3.00 -1.26 -0.05 118.95 123.99 1u9i s ARG 451 Ca 0.33 -0.87 -0.05 0.00 0.00 0.00 0.00 55.73 55.15 1u9i s ARG 451 Cb -0.08 -2.78 0.02 0.00 0.00 0.00 0.00 34.95 32.11 1u9i s ARG 451 CO 0.26 0.41 0.14 0.00 0.00 0.00 0.00 175.30 176.11 1u9i s ALA 452 N -2.04 -0.34 0.02 2.13 0.00 0.18 -2.28 121.76 119.43 1u9i s ALA 452 Ca 0.34 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.83 1u9i s ALA 452 Cb -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1u9i s ALA 452 CO 0.28 -0.08 -0.23 -1.50 0.00 0.00 0.00 175.76 174.22 1u9i s ILE 453 N 0.25 2.38 -0.21 0.00 -1.16 0.21 -1.14 121.20 121.53 1u9i s ILE 453 Ca -0.01 -1.21 -0.09 0.00 -0.51 0.00 0.00 60.65 58.83 1u9i s ILE 453 Cb -0.03 -1.92 0.09 0.00 0.61 0.00 0.00 42.46 41.21 1u9i s ILE 453 CO -0.01 0.43 0.48 0.21 -2.81 0.00 0.00 174.94 173.24 1u9i s ASN 454 N -1.09 -0.52 -0.68 4.50 2.47 -0.38 -1.49 114.94 117.75 1u9i s ASN 454 Ca 0.12 1.11 -0.27 0.00 0.42 0.00 0.00 52.86 54.23 1u9i s ASN 454 Cb -0.10 1.35 0.02 0.00 -1.45 0.00 0.00 41.25 41.07 1u9i s ASN 454 CO 0.02 -0.22 1.42 -0.69 -3.72 0.00 0.00 177.10 173.91 1u9i s VAL 455 N 2.26 3.67 0.28 -5.21 1.01 -1.26 -0.83 120.40 120.32 1u9i s VAL 455 Ca -0.05 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1u9i s VAL 455 Cb -0.10 -4.63 0.03 0.00 0.00 0.00 0.00 36.38 31.68 1u9i s VAL 455 CO -0.14 -1.53 1.68 0.15 0.00 0.00 0.00 175.10 175.26 1u9i h PHE 456 N 11.20 0.40 -1.70 5.22 3.57 -0.48 -3.45 116.94 131.70 1u9i h PHE 456 Ca -0.27 -0.11 0.12 0.00 3.53 0.00 0.00 57.97 61.24 1u9i h PHE 456 Cb 1.08 -0.09 -0.21 0.00 2.79 0.00 0.00 35.95 39.52 1u9i h PHE 456 CO 1.09 0.68 0.59 -1.59 -2.23 0.00 0.00 178.31 176.85 1u9i s LYS 457 N -4.23 0.58 -0.15 1.11 -2.85 -1.11 -4.95 119.74 108.15 1u9i s LYS 457 Ca -0.05 -0.00 -0.06 0.00 -1.00 0.00 0.00 55.97 54.86 1u9i s LYS 457 Cb 0.13 0.27 0.07 0.00 -2.06 0.00 0.00 37.83 36.24 1u9i s LYS 457 CO 0.79 -0.21 0.31 -1.64 0.10 0.00 0.00 175.35 174.69 1u9i s MET 458 N -1.75 0.21 0.23 1.78 -1.94 -1.26 -1.53 119.30 115.04 1u9i s MET 458 Ca 0.02 0.81 -0.05 0.00 -1.71 0.00 0.00 55.69 54.76 1u9i s MET 458 Cb -0.01 0.06 0.23 0.00 2.01 0.00 0.00 34.83 37.12 1u9i s MET 458 CO -0.02 -0.26 1.76 0.00 -0.01 0.00 0.00 175.02 176.48 1u9i h ARG 459 N 8.12 1.02 -0.06 2.03 3.08 -1.92 -3.31 114.38 123.33 1u9i h ARG 459 Ca -0.18 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1u9i h ARG 459 Cb 1.12 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1u9i h ARG 459 CO 0.16 0.91 0.00 0.41 -1.07 0.00 0.00 179.97 180.37 1u9i n GLY 460 N -0.74 0.12 3.74 0.04 0.00 -1.26 -5.04 105.19 102.05 1u9i n GLY 460 Ca 0.05 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1u9i n GLY 460 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u9i s SER 461 N -0.92 4.00 -0.13 1.61 0.15 -1.25 -5.08 113.70 112.08 1u9i s SER 461 Ca 0.14 -1.65 -0.24 0.00 0.70 0.00 0.00 55.95 54.90 1u9i s SER 461 Cb 0.09 0.51 -0.26 0.00 -1.71 0.00 0.00 66.02 64.65 1u9i s SER 461 CO 0.14 -0.86 0.66 -0.25 1.20 0.00 0.00 173.24 174.13 1u9i h TRP 462 N 1.40 0.19 -3.19 3.44 7.01 -1.87 -3.44 115.95 119.49 1u9i h TRP 462 Ca -0.43 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.43 1u9i h TRP 462 Cb 1.31 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.36 1u9i h TRP 462 CO 1.52 1.25 -0.58 -2.39 -2.79 0.00 0.00 178.44 175.45 1u9i n HIS 463 N -4.36 -2.78 -2.24 2.65 1.44 -1.25 -4.89 115.22 103.79 1u9i n HIS 463 Ca -0.17 1.48 -0.40 0.00 -2.01 0.00 0.00 57.72 56.62 1u9i n HIS 463 Cb 0.66 -2.37 -0.03 0.00 0.12 0.00 0.00 29.99 28.37 1u9i n HIS 463 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1u9i s ASP 464 N -3.46 6.81 0.00 4.39 2.15 0.42 -4.92 116.67 122.05 1u9i s ASP 464 Ca 0.00 2.51 0.24 0.00 0.43 0.00 0.00 52.55 55.72 1u9i s ASP 464 Cb 0.00 -2.64 0.32 0.00 -0.30 0.00 0.00 42.92 40.31 1u9i s ASP 464 CO 0.00 -0.49 1.34 0.29 -0.17 0.00 0.00 175.17 176.14 1u9i n LYS 465 N 0.69 2.42 -2.60 4.34 4.76 -1.26 -4.45 118.16 122.06 1u9i n LYS 465 Ca 0.01 -2.11 -0.34 0.00 -2.87 0.00 0.00 58.31 53.00 1u9i n LYS 465 Cb 0.44 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 1u9i n LYS 465 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u9i s ALA 466 N -1.74 2.92 -0.81 7.82 0.00 -1.26 -4.98 121.76 123.70 1u9i s ALA 466 Ca 0.34 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 1u9i s ALA 466 Cb 0.22 -3.23 0.21 0.00 0.00 0.00 0.00 23.12 20.32 1u9i s ALA 466 CO 0.31 -0.22 0.74 0.42 0.00 0.00 0.00 175.76 177.01 1u9i s ILE 467 N -1.99 5.43 0.03 0.00 1.01 -1.26 -4.53 121.20 119.89 1u9i s ILE 467 Ca 0.66 -2.53 -0.23 0.00 0.00 0.00 0.00 60.65 58.54 1u9i s ILE 467 Cb -0.15 -4.37 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 1u9i s ILE 467 CO 0.19 -1.02 0.69 -0.13 0.00 0.00 0.00 174.94 174.68 1u9i s ARG 468 N 0.12 4.42 0.41 2.79 0.52 -0.56 -3.83 118.95 122.82 1u9i s ARG 468 Ca 0.18 0.92 -0.23 0.00 -0.52 0.00 0.00 55.73 56.09 1u9i s ARG 468 Cb -0.11 -3.35 -0.10 0.00 0.52 0.00 0.00 34.95 31.91 1u9i s ARG 468 CO -0.08 0.34 0.99 -1.83 0.02 0.00 0.00 175.30 174.73 1u9i s GLU 469 N -0.17 4.22 -0.02 3.54 -1.05 -0.73 0.67 118.70 125.17 1u9i s GLU 469 Ca 0.35 1.30 -0.03 0.00 -0.15 0.00 0.00 54.97 56.44 1u9i s GLU 469 Cb -0.20 -2.39 0.00 0.00 -0.44 0.00 0.00 34.13 31.11 1u9i s GLU 469 CO 0.21 -0.06 0.07 -0.59 0.95 0.00 0.00 175.26 175.84 1u9i s PHE 470 N -1.90 -0.01 0.34 4.83 -0.00 -0.97 -1.16 117.98 119.12 1u9i s PHE 470 Ca 0.59 0.03 0.07 0.00 -0.00 0.00 0.00 56.93 57.62 1u9i s PHE 470 Cb -0.15 -0.02 -0.02 0.00 -0.00 0.00 0.00 43.02 42.82 1u9i s PHE 470 CO 0.20 -0.12 0.33 0.00 -0.00 0.00 0.00 175.22 175.63 1u9i s MET 471 N -0.49 2.78 -0.05 1.99 0.23 -0.62 -4.21 119.30 118.94 1u9i s MET 471 Ca -0.06 -1.26 0.03 0.00 -1.03 0.00 0.00 55.69 53.37 1u9i s MET 471 Cb -0.04 -2.53 0.01 0.00 -1.53 0.00 0.00 34.83 30.74 1u9i s MET 471 CO 0.00 0.07 -0.12 0.42 -2.03 0.00 0.00 175.02 173.36 1u9i s ILE 472 N -2.29 1.04 0.00 3.16 -1.09 -1.26 -1.26 121.20 119.50 1u9i s ILE 472 Ca 0.42 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1u9i s ILE 472 Cb -0.06 -0.94 0.00 0.00 -1.58 0.00 0.00 42.46 39.88 1u9i s ILE 472 CO 0.27 0.32 0.00 -1.54 -1.23 0.00 0.00 174.94 172.77 1u9i n SER 473 N 3.52 0.15 0.08 3.58 3.41 0.13 -4.98 113.62 119.51 1u9i n SER 473 Ca -0.21 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.34 1u9i n SER 473 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 1u9i n SER 473 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1u9i h ASP 474 N 0.00 0.05 1.01 4.04 3.32 -1.93 -2.95 116.42 119.98 1u9i h ASP 474 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1u9i h ASP 474 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1u9i h ASP 474 CO 0.00 0.97 0.00 0.11 -1.72 0.00 0.00 179.24 178.60 1u9i h LYS 475 N 0.01 0.00 0.00 3.56 1.57 -1.84 -2.81 116.57 117.07 1u9i h LYS 475 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1u9i h LYS 475 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1u9i h LYS 475 CO 0.13 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 1u9i n GLY 476 N 0.19 0.12 3.77 3.86 0.00 -1.11 -4.85 105.19 107.16 1u9i n GLY 476 Ca 0.02 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 1u9i n GLY 476 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u9i s PRO 477 N 0.00 4.07 -0.11 1.61 0.04 -1.26 -0.70 135.00 138.65 1u9i s PRO 477 Ca 0.00 0.07 0.03 0.00 0.04 0.00 0.00 61.00 61.15 1u9i s PRO 477 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1u9i s PRO 477 CO 0.00 0.40 -0.23 0.34 0.04 0.00 0.00 177.00 177.55 1u9i s ASP 478 N -0.02 3.01 -0.30 6.66 2.15 -0.39 -5.00 116.67 122.79 1u9i s ASP 478 Ca 0.16 -0.55 -0.09 0.00 0.43 0.00 0.00 52.55 52.50 1u9i s ASP 478 Cb -0.13 -1.38 -0.01 0.00 -0.30 0.00 0.00 42.92 41.10 1u9i s ASP 478 CO 0.05 0.13 0.15 -0.63 -0.17 0.00 0.00 175.17 174.69 1u9i s ILE 479 N 0.49 4.59 0.00 4.11 1.09 -1.26 -1.58 121.20 128.64 1u9i s ILE 479 Ca -0.16 -0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 1u9i s ILE 479 Cb -0.17 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 37.91 1u9i s ILE 479 CO 0.06 0.10 0.00 0.29 -0.10 0.00 0.00 174.94 175.28 1u9i n LYS 480 N 4.98 2.78 -2.99 2.79 5.02 -0.31 -5.02 118.16 125.42 1u9i n LYS 480 Ca -0.14 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.97 1u9i n LYS 480 Cb 0.49 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.52 1u9i n LYS 480 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u9i s ASP 481 N -1.00 5.62 0.90 4.39 1.01 -1.26 -4.53 116.67 121.80 1u9i s ASP 481 Ca 0.00 -0.27 -0.14 0.00 0.71 0.00 0.00 52.55 52.85 1u9i s ASP 481 Cb 0.00 -0.82 0.15 0.00 1.01 0.00 0.00 42.92 43.26 1u9i s ASP 481 CO 0.00 -0.80 1.26 -0.94 0.21 0.00 0.00 175.17 174.90 1u9i s SER 482 N -4.34 3.68 -0.98 0.27 1.04 -1.26 -1.77 113.70 110.35 1u9i s SER 482 Ca 0.54 0.46 -0.02 0.00 0.48 0.00 0.00 55.95 57.42 1u9i s SER 482 Cb -0.10 -0.69 0.30 0.00 0.10 0.00 0.00 66.02 65.63 1u9i s SER 482 CO 0.34 -2.39 1.42 0.49 0.98 0.00 0.00 173.24 174.08 1u9i n PHE 483 N -3.58 2.62 -0.01 5.02 3.01 -1.25 -4.85 117.46 118.42 1u9i n PHE 483 Ca 0.12 -2.87 0.13 0.00 1.01 0.00 0.00 57.45 55.85 1u9i n PHE 483 Cb 0.60 -1.10 0.56 0.00 -0.01 0.00 0.00 39.48 39.52 1u9i n PHE 483 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1u9i h ARG 484 N 4.89 0.27 -0.90 -1.08 2.43 -1.94 -1.94 114.38 116.11 1u9i h ARG 484 Ca 0.26 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.23 1u9i h ARG 484 Cb 0.56 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.93 1u9i h ARG 484 CO 1.21 0.18 0.24 0.27 -1.51 0.00 0.00 179.97 180.36 1u9i n ASN 485 N -4.46 3.62 -4.24 -3.80 6.94 -1.26 -4.90 115.26 107.15 1u9i n ASN 485 Ca 0.08 -2.81 -0.19 0.00 -0.02 0.00 0.00 54.58 51.64 1u9i n ASN 485 Cb 0.37 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 37.00 1u9i n ASN 485 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1u9i s PHE 486 N -2.01 1.45 0.13 -2.53 0.40 -0.73 -2.75 117.98 111.94 1u9i s PHE 486 Ca 0.34 -0.52 0.08 0.00 -0.60 0.00 0.00 56.93 56.23 1u9i s PHE 486 Cb 0.27 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 43.00 1u9i s PHE 486 CO 0.08 0.16 -0.19 -1.21 0.70 0.00 0.00 175.22 174.75 1u9i s GLU 487 N -2.47 1.17 -1.24 0.44 2.02 -0.94 -4.81 118.70 112.87 1u9i s GLU 487 Ca 0.08 -1.25 -0.00 0.00 0.02 0.00 0.00 54.97 53.81 1u9i s GLU 487 Cb -0.06 -1.33 -0.00 0.00 0.10 0.00 0.00 34.13 32.84 1u9i s GLU 487 CO 0.03 0.29 0.86 0.54 0.02 0.00 0.00 175.26 177.01 1u9i n ARG 488 N 0.76 -5.67 -0.03 1.61 1.74 -1.26 -1.54 116.66 112.27 1u9i n ARG 488 Ca -0.17 0.75 -0.15 0.00 -0.77 0.00 0.00 57.85 57.51 1u9i n ARG 488 Cb 0.55 -5.55 -0.11 0.00 -1.02 0.00 0.00 32.46 26.33 1u9i n ARG 488 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1u9i h ILE 489 N -1.86 1.55 -0.09 0.55 2.04 -1.91 -3.12 117.51 114.68 1u9i h ILE 489 Ca -0.60 -1.96 0.03 0.00 1.00 0.00 0.00 64.86 63.33 1u9i h ILE 489 Cb 1.35 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1u9i h ILE 489 CO 0.52 0.53 0.44 0.40 0.00 0.00 0.00 178.15 180.05 1u9i h ILE 490 N -0.51 0.06 0.00 -0.67 5.03 -1.96 0.57 117.51 120.03 1u9i h ILE 490 Ca -0.03 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.59 1u9i h ILE 490 Cb 1.01 0.57 -0.02 0.00 -3.03 0.00 0.00 36.82 35.36 1u9i h ILE 490 CO 0.05 0.00 -0.58 0.77 -0.68 0.00 0.00 178.15 177.71 1u9i h SER 491 N 0.00 0.00 0.00 1.72 4.64 -1.93 -3.37 113.55 114.61 1u9i h SER 491 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u9i h SER 491 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1u9i h SER 491 CO -0.00 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1u9i n GLY 492 N 0.28 2.43 2.77 -0.77 0.00 0.20 -2.22 105.19 107.88 1u9i n GLY 492 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1u9i n GLY 492 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u9i s SER 493 N 0.53 3.91 1.08 1.61 0.01 -1.26 -0.32 113.70 119.27 1u9i s SER 493 Ca 0.00 -3.50 -0.17 0.00 1.31 0.00 0.00 55.95 53.59 1u9i s SER 493 Cb 0.00 -1.31 0.24 0.00 0.21 0.00 0.00 66.02 65.16 1u9i s SER 493 CO 0.00 -0.13 1.17 -0.81 0.41 0.00 0.00 173.24 173.87 1u9i n PRO 494 N 2.40 -1.86 -4.94 12.44 -0.04 -1.21 -4.92 135.00 136.87 1u9i n PRO 494 Ca 0.20 -1.82 -0.28 0.00 -0.04 0.00 0.00 63.50 61.56 1u9i n PRO 494 Cb 0.38 -1.37 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 1u9i n PRO 494 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1u9i s THR 495 N -3.41 1.60 -0.08 0.52 -4.23 -0.59 -4.95 115.64 104.50 1u9i s THR 495 Ca 0.69 -0.79 -0.20 0.00 -1.18 0.00 0.00 61.69 60.21 1u9i s THR 495 Cb -0.04 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1u9i s THR 495 CO 0.50 0.46 0.54 -0.13 -0.54 0.00 0.00 174.62 175.45 1u9i s ARG 496 N 0.11 4.33 0.00 3.99 0.52 -1.26 -2.22 118.95 124.42 1u9i s ARG 496 Ca -0.07 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1u9i s ARG 496 Cb -0.13 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1u9i s ARG 496 CO 0.04 0.22 0.07 0.44 0.02 0.00 0.00 175.30 176.08