#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 1.56 -4.29 4.31 8.25 -1.26 -4.99 115.22 118.81 1u9i n HIS 15 Ca 0.00 -1.61 -0.15 0.00 -0.26 0.00 0.00 57.72 55.70 1u9i n HIS 15 Cb 0.00 -0.59 -0.05 0.00 1.12 0.00 0.00 29.99 30.47 1u9i n HIS 15 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1u9i n GLN 16 N -1.06 0.57 0.00 -0.41 3.00 -1.26 -5.16 117.38 113.06 1u9i n GLN 16 Ca 0.39 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.14 1u9i n GLN 16 Cb 1.18 1.39 0.00 0.00 0.00 0.00 0.00 30.24 32.82 1u9i n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u9i n ALA 17 N -1.66 0.00 -3.66 -1.58 0.00 -1.26 -4.97 120.51 107.38 1u9i n ALA 17 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1u9i n ALA 17 Cb 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.19 0.41 0.00 1.09 -1.26 -4.97 121.20 116.28 1u9i s ILE 18 Ca 0.00 0.32 -0.24 0.00 -1.10 0.00 0.00 60.65 59.63 1u9i s ILE 18 Cb 0.00 -0.28 -0.08 0.00 -1.06 0.00 0.00 42.46 41.04 1u9i s ILE 18 CO 0.00 0.11 1.12 0.00 -0.10 0.00 0.00 174.94 176.08 1u9i s ALA 19 N 2.23 3.10 0.28 9.38 0.00 -1.26 -4.91 121.76 130.58 1u9i s ALA 19 Ca 0.04 0.87 0.09 0.00 0.00 0.00 0.00 51.96 52.96 1u9i s ALA 19 Cb -0.12 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1u9i s ALA 19 CO -0.05 -0.44 0.05 0.15 0.00 0.00 0.00 175.76 175.47 1u9i s LYS 20 N -2.42 2.40 -0.14 0.00 1.02 -1.26 -0.61 119.74 118.73 1u9i s LYS 20 Ca 0.58 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 55.19 1u9i s LYS 20 Cb -0.27 -2.22 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1u9i s LYS 20 CO 0.34 0.32 -0.18 1.41 -0.92 0.00 0.00 175.35 176.33 1u9i s MET 21 N -3.73 3.17 0.39 1.68 -2.45 0.20 -4.78 119.30 113.79 1u9i s MET 21 Ca 0.33 -0.78 -0.26 0.00 -1.25 0.00 0.00 55.69 53.72 1u9i s MET 21 Cb -0.06 -2.53 -0.09 0.00 1.25 0.00 0.00 34.83 33.40 1u9i s MET 21 CO 0.21 0.06 1.22 1.03 1.05 0.00 0.00 175.02 178.60 1u9i s ARG 22 N 0.67 4.09 -0.01 4.11 0.52 -1.24 -1.41 118.95 125.67 1u9i s ARG 22 Ca -0.09 1.98 0.19 0.00 -0.52 0.00 0.00 55.73 57.30 1u9i s ARG 22 Cb -0.16 -2.77 -0.25 0.00 0.52 0.00 0.00 34.95 32.29 1u9i s ARG 22 CO 0.02 -0.34 0.65 0.25 0.02 0.00 0.00 175.30 175.90 1u9i n THR 23 N 0.23 0.00 -1.04 0.02 -2.24 -1.26 -4.87 114.28 105.12 1u9i n THR 23 Ca 0.03 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1u9i n THR 23 Cb 0.45 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.76 -1.85 -2.64 -0.78 0.00 -1.26 -4.76 117.12 104.07 1u9i n MET 24 Ca 0.01 0.60 -0.43 0.00 0.00 0.00 0.00 57.70 57.87 1u9i n MET 24 Cb 0.39 -4.86 -0.02 0.00 0.00 0.00 0.00 33.22 28.72 1u9i n MET 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1u9i s ILE 25 N -1.29 4.37 -0.45 2.02 1.01 -1.26 -4.91 121.20 120.69 1u9i s ILE 25 Ca 0.00 1.43 -0.43 0.00 0.00 0.00 0.00 60.65 61.65 1u9i s ILE 25 Cb 0.00 -4.50 -0.18 0.00 0.01 0.00 0.00 42.46 37.79 1u9i s ILE 25 CO 0.00 -0.75 1.98 1.21 0.00 0.00 0.00 174.94 177.38 1u9i n GLU 26 N 7.34 0.30 0.00 2.79 2.13 -1.26 -1.22 120.64 130.72 1u9i n GLU 26 Ca 0.11 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1u9i n GLU 26 Cb 0.48 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.47 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 6.16 3.01 0.25 8.31 0.00 -1.26 -1.89 105.19 119.77 1u9i n GLY 27 Ca 0.44 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 0.40 0.00 1.61 3.57 -1.47 -0.10 116.94 120.95 1u9i h PHE 28 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1u9i h PHE 28 Cb 0.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1u9i h PHE 28 CO 0.00 0.05 0.00 -0.44 -2.23 0.00 0.00 178.31 175.69 1u9i h ASP 29 N 0.39 0.00 0.11 0.41 3.32 -1.91 0.12 116.42 118.86 1u9i h ASP 29 Ca 0.36 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.25 1u9i h ASP 29 Cb 0.51 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.08 1u9i h ASP 29 CO -0.38 0.00 -0.74 0.44 -1.72 0.00 0.00 179.24 176.85 1u9i h ASP 30 N 0.00 0.36 -0.76 6.45 3.32 -1.38 0.24 116.42 124.66 1u9i h ASP 30 Ca 0.00 -0.94 -0.03 0.00 0.02 0.00 0.00 57.03 56.08 1u9i h ASP 30 Cb 0.21 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1u9i h ASP 30 CO 0.00 1.35 0.36 0.40 -1.72 0.00 0.00 179.24 179.62 1u9i h ILE 31 N -0.49 1.24 -0.40 0.35 2.04 -0.73 -2.50 117.51 117.02 1u9i h ILE 31 Ca -0.14 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1u9i h ILE 31 Cb 1.53 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1u9i h ILE 31 CO 0.11 0.29 0.00 -1.54 0.00 0.00 0.00 178.15 177.01 1u9i n SER 32 N -4.31 2.74 -4.05 1.72 3.41 0.34 0.21 113.62 113.68 1u9i n SER 32 Ca 0.07 -2.16 -0.30 0.00 -0.26 0.00 0.00 58.87 56.22 1u9i n SER 32 Cb 0.15 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.64 -1.79 0.00 7.33 8.25 -0.94 -3.27 115.22 125.43 1u9i n HIS 33 Ca 0.15 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 1u9i n HIS 33 Cb 0.50 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.13 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 -1.70 1.67 0.00 -1.41 0.00 0.83 -5.01 105.19 99.56 1u9i n GLY 34 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.01 3.77 -0.02 0.00 -1.20 -3.69 105.19 104.03 1u9i n GLY 35 Ca 0.00 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 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 4.21 -0.00 0.99 1.43 -0.50 -4.53 118.68 120.28 1u9i s LEU 36 Ca 0.00 2.34 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 1u9i s LEU 36 Cb 0.00 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.15 1u9i s LEU 36 CO 0.00 -0.64 1.60 -2.84 0.23 0.00 0.00 176.35 174.70 1u9i s PRO 37 N -2.26 4.21 0.41 1.29 0.02 -1.26 0.63 135.00 138.03 1u9i s PRO 37 Ca 0.56 2.19 -0.26 0.00 0.02 0.00 0.00 61.00 63.51 1u9i s PRO 37 Cb -0.31 -3.77 -0.09 0.00 0.02 0.00 0.00 34.50 30.36 1u9i s PRO 37 CO 0.38 -0.75 1.35 0.42 -0.33 0.00 0.00 177.00 178.08 1u9i s ILE 38 N 3.21 2.44 0.00 2.83 -1.09 0.22 -2.82 121.20 125.99 1u9i s ILE 38 Ca 0.71 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 1u9i s ILE 38 Cb -0.35 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1u9i s ILE 38 CO 0.30 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 1u9i n GLY 39 N 0.64 0.80 3.50 6.18 0.00 -1.26 -4.91 105.19 110.15 1u9i n GLY 39 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.13 1.73 0.02 1.61 0.52 -1.13 -4.58 118.95 116.98 1u9i s ARG 40 Ca 0.00 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.29 1u9i s ARG 40 Cb 0.00 -1.34 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 1u9i s ARG 40 CO 0.00 0.00 0.08 -1.54 0.02 0.00 0.00 175.30 173.86 1u9i s SER 41 N -3.55 5.64 -0.13 0.23 1.04 -1.26 -1.59 113.70 114.08 1u9i s SER 41 Ca 0.33 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.89 1u9i s SER 41 Cb 0.06 -1.60 0.01 0.00 0.10 0.00 0.00 66.02 64.59 1u9i s SER 41 CO 0.15 0.25 -0.21 -0.89 0.98 0.00 0.00 173.24 173.52 1u9i s THR 42 N -1.24 1.97 -0.16 2.02 2.01 0.01 -3.65 115.64 116.60 1u9i s THR 42 Ca 0.24 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.08 1u9i s THR 42 Cb -0.12 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1u9i s THR 42 CO 0.16 0.53 0.74 -0.22 -0.69 0.00 0.00 174.62 175.14 1u9i s LEU 43 N 0.75 4.19 -0.28 4.42 2.96 0.93 0.28 118.68 131.93 1u9i s LEU 43 Ca -0.09 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 1u9i s LEU 43 Cb -0.16 -3.09 0.07 0.00 0.50 0.00 0.00 46.19 43.52 1u9i s LEU 43 CO 0.00 -0.30 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.98 1u9i s VAL 44 N 1.81 2.14 0.27 1.68 1.01 0.31 0.10 120.40 127.72 1u9i s VAL 44 Ca 0.35 -1.79 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1u9i s VAL 44 Cb -0.16 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1u9i s VAL 44 CO 0.13 -0.19 -0.11 -0.94 0.00 0.00 0.00 175.10 173.99 1u9i s SER 45 N 1.07 2.99 0.00 3.32 1.04 -0.46 -1.04 113.70 120.62 1u9i s SER 45 Ca -0.04 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1u9i s SER 45 Cb -0.20 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1u9i s SER 45 CO -0.06 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1u9i n GLY 46 N -0.56 0.38 3.77 7.32 0.00 -1.02 -0.78 105.19 114.31 1u9i n GLY 46 Ca -0.06 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1u9i n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u9i s THR 47 N -2.00 1.82 0.28 2.61 -4.23 -1.26 -1.35 115.64 111.51 1u9i s THR 47 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1u9i s THR 47 Cb 0.00 -2.75 -0.13 0.00 1.34 0.00 0.00 72.50 70.96 1u9i s THR 47 CO 0.00 0.00 1.45 -0.24 -0.54 0.00 0.00 174.62 175.29 1u9i n SER 48 N -4.20 3.10 -0.47 3.99 2.88 -1.26 -2.39 113.62 115.26 1u9i n SER 48 Ca 0.13 1.16 -0.06 0.00 -1.33 0.00 0.00 58.87 58.77 1u9i n SER 48 Cb 0.59 -1.49 -0.03 0.00 -0.75 0.00 0.00 64.21 62.54 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 1.89 0.85 0.16 0.46 0.00 -1.26 -4.92 105.19 102.37 1u9i n GLY 49 Ca 0.09 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.54 1u9i n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u9i h THR 50 N 0.00 0.04 0.00 2.61 1.35 -1.82 -3.48 112.91 111.60 1u9i h THR 50 Ca -0.13 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1u9i h THR 50 Cb 0.43 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1u9i h THR 50 CO 0.19 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1u9i n GLY 51 N 1.15 1.76 0.44 5.82 0.00 -1.26 -4.85 105.19 108.25 1u9i n GLY 51 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -1.05 -0.10 1.61 1.57 -1.92 -1.60 116.57 115.08 1u9i h LYS 52 Ca 0.00 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1u9i h LYS 52 Cb 0.00 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1u9i h LYS 52 CO 0.00 -0.69 -0.30 1.15 -0.57 0.00 0.00 179.45 179.04 1u9i h THR 53 N -1.22 0.32 -0.67 -0.16 2.02 -1.96 -0.59 112.91 110.64 1u9i h THR 53 Ca -0.11 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.21 1u9i h THR 53 Cb 0.85 0.32 -0.12 0.00 -1.74 0.00 0.00 68.15 67.45 1u9i h THR 53 CO 0.18 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 176.21 1u9i h LEU 54 N -0.40 -0.53 -0.09 2.58 5.85 -1.98 0.25 115.31 121.00 1u9i h LEU 54 Ca 0.09 0.19 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1u9i h LEU 54 Cb 0.53 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1u9i h LEU 54 CO -0.32 -0.20 0.02 0.15 -0.34 0.00 0.00 178.44 177.75 1u9i h PHE 55 N 0.03 0.04 -0.74 1.25 3.57 -0.35 0.10 116.94 120.84 1u9i h PHE 55 Ca 0.34 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1u9i h PHE 55 Cb 0.53 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1u9i h PHE 55 CO -0.50 0.02 0.46 0.66 -2.23 0.00 0.00 178.31 176.72 1u9i h SER 56 N 0.06 0.87 -0.02 0.41 4.64 0.63 -0.71 113.55 119.44 1u9i h SER 56 Ca 0.04 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1u9i h SER 56 Cb 0.03 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1u9i h SER 56 CO -0.05 0.65 -0.17 0.40 -0.87 0.00 0.00 176.83 176.80 1u9i h ILE 57 N 1.01 1.53 -0.19 0.95 1.08 -0.35 -3.00 117.51 118.54 1u9i h ILE 57 Ca 0.27 -1.78 0.05 0.00 -0.39 0.00 0.00 64.86 63.01 1u9i h ILE 57 Cb -0.07 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 1u9i h ILE 57 CO -0.05 0.48 0.20 -0.61 -0.69 0.00 0.00 178.15 177.48 1u9i h GLN 58 N -0.51 0.00 -0.17 2.37 4.15 -0.61 0.13 115.11 120.48 1u9i h GLN 58 Ca -0.02 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.18 1u9i h GLN 58 Cb 0.88 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.58 1u9i h GLN 58 CO 0.03 0.00 -0.75 0.35 -1.93 0.00 0.00 178.83 176.53 1u9i h PHE 59 N 0.00 1.07 0.26 3.99 3.57 -1.06 -2.45 116.94 122.33 1u9i h PHE 59 Ca 0.09 -0.46 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 1u9i h PHE 59 Cb 0.49 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1u9i h PHE 59 CO 0.00 1.30 -0.13 -0.07 -2.23 0.00 0.00 178.31 177.18 1u9i h LEU 60 N 0.55 -0.30 -0.47 0.59 3.38 -0.89 -2.76 115.31 115.42 1u9i h LEU 60 Ca -0.05 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1u9i h LEU 60 Cb 1.38 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 42.11 1u9i h LEU 60 CO 0.16 0.20 -0.38 0.22 0.09 0.00 0.00 178.44 178.72 1u9i h TYR 61 N -0.99 -1.09 -0.87 1.13 3.20 -0.94 0.29 116.97 117.71 1u9i h TYR 61 Ca -0.04 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1u9i h TYR 61 Cb 0.46 0.54 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 1u9i h TYR 61 CO 0.04 -0.41 0.57 -0.91 -1.64 0.00 0.00 178.16 175.81 1u9i h ASN 62 N -0.26 0.91 -0.50 -2.11 4.21 -1.56 0.18 115.58 116.47 1u9i h ASN 62 Ca 0.17 -0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.73 1u9i h ASN 62 Cb 0.56 -0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.51 1u9i h ASN 62 CO -0.60 0.62 0.23 1.23 -1.29 0.00 0.00 177.43 177.61 1u9i h GLY 63 N 1.06 0.69 0.71 2.83 0.00 -0.22 0.15 103.07 108.28 1u9i h GLY 63 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1u9i h GLY 63 CO -0.11 0.07 -0.30 -2.22 0.00 0.00 0.00 176.54 173.98 1u9i h ILE 64 N 0.44 0.14 0.00 2.60 1.08 0.23 -1.70 117.51 120.30 1u9i h ILE 64 Ca 0.23 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1u9i h ILE 64 Cb 0.18 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1u9i h ILE 64 CO -0.19 0.02 -0.04 0.40 -0.69 0.00 0.00 178.15 177.65 1u9i h ILE 65 N -1.15 0.16 0.00 -0.67 1.08 -0.58 0.47 117.51 116.82 1u9i h ILE 65 Ca -0.09 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1u9i h ILE 65 Cb 0.69 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1u9i h ILE 65 CO 0.14 0.04 -1.51 -0.62 -0.69 0.00 0.00 178.15 175.51 1u9i n GLU 66 N -3.23 0.34 0.00 2.37 -0.58 0.50 -4.71 120.64 115.32 1u9i n GLU 66 Ca -0.01 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1u9i n GLU 66 Cb 0.22 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 -1.89 0.00 -3.67 -0.32 3.01 -0.93 -5.02 117.46 108.64 1u9i n PHE 67 Ca -0.02 -0.01 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 1u9i n PHE 67 Cb 0.29 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.01 -2.67 -4.26 4.37 -0.08 0.16 -4.95 116.55 109.11 1u9i n ASP 68 Ca 0.00 -0.88 -0.38 0.00 -1.51 0.00 0.00 54.79 52.03 1u9i n ASP 68 Cb 0.30 -3.91 -0.12 0.00 2.34 0.00 0.00 41.12 39.72 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 -5.86 2.57 0.57 -0.67 2.02 -0.69 -4.94 118.70 111.69 1u9i s GLU 69 Ca 0.17 -1.25 -0.19 0.00 0.02 0.00 0.00 54.97 53.71 1u9i s GLU 69 Cb -0.05 -3.47 -0.06 0.00 0.10 0.00 0.00 34.13 30.65 1u9i s GLU 69 CO 0.82 -0.71 0.89 -2.30 0.02 0.00 0.00 175.26 173.99 1u9i n PRO 70 N 4.79 0.89 -4.15 0.39 -0.02 -1.26 -3.28 135.00 132.36 1u9i n PRO 70 Ca -0.12 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 1u9i n PRO 70 Cb 0.44 -2.07 -0.13 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.17 0.51 -0.13 -1.23 0.00 0.21 -0.53 107.32 104.98 1u9i s GLY 71 Ca 0.73 -0.64 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 1u9i s GLY 71 CO 0.50 -0.65 -0.07 0.14 0.00 0.00 0.00 173.10 173.02 1u9i s VAL 72 N -0.93 3.63 -0.27 1.40 1.01 -0.31 -1.16 120.40 123.78 1u9i s VAL 72 Ca -0.04 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1u9i s VAL 72 Cb -0.07 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.80 1u9i s VAL 72 CO 0.00 0.52 -0.08 0.12 0.00 0.00 0.00 175.10 175.66 1u9i s PHE 73 N 0.17 3.25 -0.15 5.22 5.36 0.21 -2.11 117.98 129.93 1u9i s PHE 73 Ca -0.04 -2.17 -0.16 0.00 -0.96 0.00 0.00 56.93 53.61 1u9i s PHE 73 Cb -0.14 -1.98 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 1u9i s PHE 73 CO 0.03 -0.85 0.39 0.08 -1.46 0.00 0.00 175.22 173.41 1u9i s VAL 74 N 1.15 5.24 -0.06 3.12 1.01 -0.67 -0.28 120.40 129.91 1u9i s VAL 74 Ca -0.07 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1u9i s VAL 74 Cb -0.20 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1u9i s VAL 74 CO -0.04 0.34 -0.19 0.28 0.00 0.00 0.00 175.10 175.49 1u9i s THR 75 N 0.68 1.59 -0.57 3.92 -1.32 -0.94 -0.92 115.64 118.07 1u9i s THR 75 Ca 0.21 -0.78 0.14 0.00 -1.21 0.00 0.00 61.69 60.05 1u9i s THR 75 Cb -0.14 -1.37 -0.16 0.00 -1.51 0.00 0.00 72.50 69.32 1u9i s THR 75 CO 0.07 0.45 0.56 0.49 -2.21 0.00 0.00 174.62 173.98 1u9i n PHE 76 N 3.28 0.00 0.06 9.09 3.01 -1.22 -0.74 117.46 130.94 1u9i n PHE 76 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1u9i n PHE 76 Cb 0.53 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 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 -1.42 0.00 -1.79 -1.08 2.13 -1.26 -4.15 120.64 113.07 1u9i n GLU 77 Ca 0.02 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.46 1u9i n GLU 77 Cb 0.24 -0.12 0.04 0.00 0.27 0.00 0.00 31.44 31.87 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 -1.58 3.05 0.44 5.31 2.02 -1.26 -4.88 118.70 121.80 1u9i s GLU 78 Ca 0.00 2.19 -0.19 0.00 0.02 0.00 0.00 54.97 56.99 1u9i s GLU 78 Cb 0.00 -2.19 -0.10 0.00 0.10 0.00 0.00 34.13 31.94 1u9i s GLU 78 CO 0.00 -1.25 0.93 -0.08 0.02 0.00 0.00 175.26 174.89 1u9i s THR 79 N -1.33 4.46 0.41 3.63 -1.32 -1.26 -4.86 115.64 115.38 1u9i s THR 79 Ca 0.73 1.35 0.07 0.00 -1.21 0.00 0.00 61.69 62.63 1u9i s THR 79 Cb -0.40 -3.63 0.27 0.00 -1.51 0.00 0.00 72.50 67.23 1u9i s THR 79 CO 0.46 -0.40 2.06 -0.65 -2.21 0.00 0.00 174.62 173.88 1u9i h PRO 80 N 1.69 0.52 0.02 7.08 0.11 -1.97 -0.71 132.00 138.74 1u9i h PRO 80 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1u9i h PRO 80 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1u9i h PRO 80 CO 0.62 0.34 -0.01 1.96 -0.21 0.00 0.00 178.00 180.70 1u9i h GLN 81 N 0.54 -0.02 0.27 1.05 1.08 -1.99 -2.18 115.11 113.85 1u9i h GLN 81 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1u9i h GLN 81 Cb -0.05 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1u9i h GLN 81 CO -0.03 0.19 -0.27 -0.44 -0.95 0.00 0.00 178.83 177.33 1u9i h ASP 82 N -0.23 -0.72 -0.96 1.46 3.32 -1.82 0.48 116.42 117.96 1u9i h ASP 82 Ca -0.00 0.07 0.26 0.00 0.02 0.00 0.00 57.03 57.37 1u9i h ASP 82 Cb 0.22 0.25 -0.13 0.00 0.22 0.00 0.00 39.33 39.88 1u9i h ASP 82 CO 0.00 -0.39 0.49 0.40 -1.72 0.00 0.00 179.24 178.02 1u9i h ILE 83 N -0.57 0.42 -0.02 0.35 2.04 -1.08 0.60 117.51 119.25 1u9i h ILE 83 Ca -0.01 -0.14 -0.23 0.00 1.00 0.00 0.00 64.86 65.48 1u9i h ILE 83 Cb 0.52 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1u9i h ILE 83 CO -0.06 0.07 -0.92 0.40 0.00 0.00 0.00 178.15 177.65 1u9i h ILE 84 N 0.41 1.37 0.90 -0.67 2.04 -0.69 -2.67 117.51 118.20 1u9i h ILE 84 Ca 0.64 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.10 1u9i h ILE 84 Cb 1.30 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1u9i h ILE 84 CO -0.55 0.71 -0.49 0.50 0.00 0.00 0.00 178.15 178.31 1u9i h LYS 85 N 0.28 -1.24 -0.85 2.37 1.63 0.49 -3.12 116.57 116.12 1u9i h LYS 85 Ca -0.08 0.08 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1u9i h LYS 85 Cb 1.55 0.28 -0.06 0.00 -0.60 0.00 0.00 32.23 33.41 1u9i h LYS 85 CO 0.16 -0.83 0.54 -0.91 -3.45 0.00 0.00 179.45 174.96 1u9i h ASN 86 N -1.28 0.85 -0.11 4.20 2.35 -0.30 -1.87 115.58 119.42 1u9i h ASN 86 Ca -0.12 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1u9i h ASN 86 Cb 1.01 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1u9i h ASN 86 CO 0.16 0.56 0.28 0.00 -1.65 0.00 0.00 177.43 176.78 1u9i h ALA 87 N 1.39 1.51 0.00 -0.83 0.00 -1.41 0.49 119.26 120.41 1u9i h ALA 87 Ca 0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1u9i h ALA 87 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1u9i h ALA 87 CO -0.16 -0.34 -0.19 0.00 0.00 0.00 0.00 179.25 178.56 1u9i h ARG 88 N 0.00 0.00 -0.82 0.00 3.08 -1.32 -1.42 114.38 113.90 1u9i h ARG 88 Ca 0.05 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.34 1u9i h ARG 88 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1u9i h ARG 88 CO -0.00 0.19 0.67 1.03 -1.07 0.00 0.00 179.97 180.80 1u9i h SER 89 N 0.00 0.00 -0.32 7.04 0.87 -0.15 0.51 113.55 121.49 1u9i h SER 89 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1u9i h SER 89 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1u9i h SER 89 CO 0.03 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 176.82 1u9i n PHE 90 N -4.00 0.89 -3.42 2.24 3.01 -0.61 -4.80 117.46 110.79 1u9i n PHE 90 Ca 0.17 -0.75 -0.20 0.00 1.01 0.00 0.00 57.45 57.68 1u9i n PHE 90 Cb 0.96 -0.24 0.07 0.00 -0.01 0.00 0.00 39.48 40.26 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 -0.08 -0.33 3.38 1.37 0.00 0.18 -4.76 105.19 104.95 1u9i n GLY 91 Ca 0.19 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.28 3.26 -0.75 1.61 0.23 -0.78 -5.01 118.94 114.22 1u9i s TRP 92 Ca 0.43 -0.95 -0.10 0.00 -2.03 0.00 0.00 56.10 53.45 1u9i s TRP 92 Cb -0.19 -2.62 0.20 0.00 0.03 0.00 0.00 33.47 30.89 1u9i s TRP 92 CO 0.63 -0.68 0.64 0.34 0.96 0.00 0.00 176.95 178.84 1u9i s ASP 93 N 1.77 6.18 0.09 2.95 2.15 -1.26 -3.54 116.67 125.00 1u9i s ASP 93 Ca 0.03 -2.74 -0.14 0.00 0.43 0.00 0.00 52.55 50.14 1u9i s ASP 93 Cb -0.20 -2.08 -0.20 0.00 -0.30 0.00 0.00 42.92 40.14 1u9i s ASP 93 CO 0.07 -0.50 1.24 -0.07 -0.17 0.00 0.00 175.17 175.74 1u9i h LEU 94 N 7.52 0.92 -1.34 -1.34 3.38 -1.94 -3.18 115.31 119.33 1u9i h LEU 94 Ca 0.05 -0.69 0.24 0.00 0.09 0.00 0.00 57.88 57.58 1u9i h LEU 94 Cb 1.01 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1u9i h LEU 94 CO 0.74 1.48 0.65 0.00 0.09 0.00 0.00 178.44 181.40 1u9i h ALA 95 N 0.47 2.14 -0.21 1.53 0.00 -1.90 0.20 119.26 121.48 1u9i h ALA 95 Ca -0.09 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1u9i h ALA 95 Cb 1.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1u9i h ALA 95 CO 0.18 -0.52 -0.06 -0.22 0.00 0.00 0.00 179.25 178.63 1u9i h LYS 96 N 0.45 0.42 -0.08 0.00 3.64 -1.97 -2.57 116.57 116.46 1u9i h LYS 96 Ca 0.57 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 1u9i h LYS 96 Cb 1.36 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1u9i h LYS 96 CO -0.29 0.67 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.36 1u9i h LEU 97 N 0.14 0.12 -0.45 5.20 3.38 -0.76 -0.84 115.31 122.10 1u9i h LEU 97 Ca 0.05 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1u9i h LEU 97 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1u9i h LEU 97 CO 0.02 0.27 -0.06 0.58 0.09 0.00 0.00 178.44 179.34 1u9i h VAL 98 N 0.12 1.27 0.34 1.22 2.07 -0.67 0.52 116.25 121.13 1u9i h VAL 98 Ca 0.03 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1u9i h VAL 98 Cb 0.32 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1u9i h VAL 98 CO 0.02 0.39 -0.17 0.44 0.02 0.00 0.00 177.57 178.28 1u9i h ASP 99 N 0.67 -0.39 0.05 0.57 3.32 -0.94 -1.29 116.42 118.41 1u9i h ASP 99 Ca 0.12 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1u9i h ASP 99 Cb 0.58 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1u9i h ASP 99 CO 0.03 -0.22 0.00 -0.62 -1.72 0.00 0.00 179.24 176.71 1u9i n GLU 100 N -5.26 0.12 -2.74 3.56 1.02 -0.40 -4.81 120.64 112.14 1u9i n GLU 100 Ca -0.10 0.12 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 1u9i n GLU 100 Cb 0.22 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.76 -0.37 0.06 0.62 0.00 -0.49 -4.87 105.19 99.38 1u9i n GLY 101 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.34 0.67 -4.50 1.61 4.76 0.10 -4.92 118.16 112.54 1u9i n LYS 102 Ca -0.14 -0.08 -0.22 0.00 -2.87 0.00 0.00 58.31 55.00 1u9i n LYS 102 Cb 0.63 -1.54 -0.16 0.00 -1.84 0.00 0.00 35.03 32.12 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 -5.07 1.75 -0.14 -0.35 2.96 -0.93 -0.62 118.68 116.29 1u9i s LEU 103 Ca -0.09 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1u9i s LEU 103 Cb 0.10 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 46.14 1u9i s LEU 103 CO 0.86 0.07 -0.08 0.12 -1.32 0.00 0.00 176.35 176.00 1u9i s PHE 104 N 0.31 1.70 -0.37 5.38 5.36 -0.31 -3.87 117.98 126.19 1u9i s PHE 104 Ca -0.06 -0.96 -0.19 0.00 -0.96 0.00 0.00 56.93 54.76 1u9i s PHE 104 Cb -0.11 -1.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 1u9i s PHE 104 CO 0.01 -0.58 0.56 0.42 -1.46 0.00 0.00 175.22 174.17 1u9i s ILE 105 N 1.64 4.96 -0.58 3.12 1.01 -1.26 -0.62 121.20 129.47 1u9i s ILE 105 Ca 0.03 0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 1u9i s ILE 105 Cb -0.14 -4.03 0.08 0.00 0.01 0.00 0.00 42.46 38.38 1u9i s ILE 105 CO -0.08 -0.31 0.73 -0.22 0.00 0.00 0.00 174.94 175.06 1u9i s LEU 106 N 2.53 5.06 -0.27 2.97 2.96 0.62 -4.95 118.68 127.59 1u9i s LEU 106 Ca 0.20 -1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 52.66 1u9i s LEU 106 Cb -0.15 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1u9i s LEU 106 CO 0.15 -1.11 1.52 -0.62 -1.32 0.00 0.00 176.35 174.97 1u9i s ASP 107 N 3.33 6.41 0.00 3.68 -1.08 -1.26 -2.22 116.67 125.54 1u9i s ASP 107 Ca 0.15 1.39 0.04 0.00 -0.52 0.00 0.00 52.55 53.60 1u9i s ASP 107 Cb -0.21 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.76 1u9i s ASP 107 CO 0.09 -1.27 0.74 0.00 0.52 0.00 0.00 175.17 175.25 1u9i n ALA 108 N 8.43 2.38 -1.76 3.66 0.00 0.08 -4.96 120.51 128.34 1u9i n ALA 108 Ca 0.18 -0.67 -0.37 0.00 0.00 0.00 0.00 53.44 52.58 1u9i n ALA 108 Cb 0.46 -0.13 0.02 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.49 5.49 0.93 0.00 1.04 -0.92 -4.76 113.70 114.99 1u9i s SER 109 Ca 0.05 2.44 -0.12 0.00 0.48 0.00 0.00 55.95 58.81 1u9i s SER 109 Cb 0.03 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.69 1u9i s SER 109 CO 0.05 -1.39 1.09 -2.84 0.98 0.00 0.00 173.24 171.13 1u9i s PRO 110 N -3.06 1.00 0.10 4.02 0.02 -1.26 -5.03 135.00 130.78 1u9i s PRO 110 Ca 0.72 0.72 0.01 0.00 0.02 0.00 0.00 61.00 62.47 1u9i s PRO 110 Cb -0.32 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1u9i s PRO 110 CO 0.36 -2.39 0.22 0.34 -0.33 0.00 0.00 177.00 175.20 1u9i s ASP 111 N -3.44 6.25 0.00 2.53 -1.08 -1.26 -4.96 116.67 114.71 1u9i s ASP 111 Ca 0.64 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.87 1u9i s ASP 111 Cb -0.18 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 1u9i s ASP 111 CO 0.57 0.13 0.59 -2.65 0.52 0.00 0.00 175.17 174.33 1u9i n PRO 112 N -0.01 0.00 -3.40 4.34 -0.02 -1.26 -2.49 135.00 132.16 1u9i n PRO 112 Ca -0.06 0.16 -0.26 0.00 -2.02 0.00 0.00 63.50 61.31 1u9i n PRO 112 Cb 0.52 -1.73 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 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 -1.09 2.02 -0.77 -0.52 -0.58 -1.26 -5.11 120.64 113.33 1u9i n GLU 113 Ca 0.00 -4.30 -0.30 0.00 -0.42 0.00 0.00 57.16 52.14 1u9i n GLU 113 Cb 0.23 -2.01 0.17 0.00 -0.57 0.00 0.00 31.44 29.26 1u9i n GLU 113 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1u9i s GLY 114 N -2.07 1.65 0.02 0.62 0.00 -1.04 -5.08 107.32 101.43 1u9i s GLY 114 Ca 0.38 0.37 -0.02 0.00 0.00 0.00 0.00 44.72 45.44 1u9i s GLY 114 CO -0.05 0.84 0.02 1.20 0.00 0.00 0.00 173.10 175.11 1u9i s GLN 115 N -4.66 0.43 1.27 2.90 -0.21 -1.26 -5.11 119.66 113.02 1u9i s GLN 115 Ca 0.66 -0.69 -0.17 0.00 0.02 0.00 0.00 55.36 55.18 1u9i s GLN 115 Cb -0.22 0.16 0.32 0.00 1.00 0.00 0.00 33.01 34.26 1u9i s GLN 115 CO 0.59 -0.08 0.99 -1.21 -2.12 0.00 0.00 175.29 173.46 1u9i s GLU 116 N -1.99 -1.77 0.00 2.91 0.41 -1.26 -4.77 118.70 112.23 1u9i s GLU 116 Ca -0.11 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 1u9i s GLU 116 Cb -0.06 -1.49 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1u9i s GLU 116 CO -0.02 -4.18 0.00 0.28 -0.49 0.00 0.00 175.26 170.84 1u9i n VAL 117 N -5.19 -0.31 -3.19 2.63 0.31 -1.26 -4.98 118.33 106.35 1u9i n VAL 117 Ca 0.07 0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.26 1u9i n VAL 117 Cb 0.57 -0.58 -0.04 0.00 -0.91 0.00 0.00 33.84 32.88 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 1.05 -0.26 -1.22 2.52 0.31 -1.26 -4.91 118.33 114.55 1u9i n VAL 118 Ca 0.00 -4.48 0.09 0.00 -0.01 0.00 0.00 64.34 59.93 1u9i n VAL 118 Cb 0.05 -0.58 0.15 0.00 -0.91 0.00 0.00 33.84 32.55 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 0.49 4.81 2.00 2.92 0.00 -1.26 -4.60 105.19 109.56 1u9i n GLY 119 Ca 0.24 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.32 -0.34 0.14 -0.02 0.00 -1.26 -4.75 105.19 97.64 1u9i n GLY 120 Ca 0.16 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1u9i n GLY 120 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u9i h PHE 121 N 0.00 -0.21 -0.82 1.61 0.05 -1.93 -2.21 116.94 113.43 1u9i h PHE 121 Ca 0.00 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 1u9i h PHE 121 Cb 0.00 0.12 -0.04 0.00 2.00 0.00 0.00 35.95 38.04 1u9i h PHE 121 CO 0.00 -0.14 0.37 0.38 -0.18 0.00 0.00 178.31 178.74 1u9i h ASP 122 N -0.07 1.09 0.45 2.17 2.03 -1.91 0.16 116.42 120.35 1u9i h ASP 122 Ca 0.10 -0.14 -0.01 0.00 -0.73 0.00 0.00 57.03 56.25 1u9i h ASP 122 Cb 0.22 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.43 1u9i h ASP 122 CO -0.23 0.93 -0.32 0.25 -1.03 0.00 0.00 179.24 178.84 1u9i h LEU 123 N 1.18 -0.82 -0.48 0.15 7.12 -1.70 2.08 115.31 122.83 1u9i h LEU 123 Ca 0.28 0.06 -0.17 0.00 0.13 0.00 0.00 57.88 58.18 1u9i h LEU 123 Cb 0.15 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1u9i h LEU 123 CO -0.03 -0.49 -0.61 0.77 -0.13 0.00 0.00 178.44 177.95 1u9i h SER 124 N -0.76 0.57 -0.41 1.25 4.64 -1.49 -2.32 113.55 115.03 1u9i h SER 124 Ca -0.05 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 60.87 1u9i h SER 124 Cb 0.64 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1u9i h SER 124 CO 0.02 1.04 -0.04 0.00 -0.87 0.00 0.00 176.83 176.98 1u9i h ALA 125 N 0.96 0.56 0.03 5.18 0.00 -0.44 0.32 119.26 125.87 1u9i h ALA 125 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1u9i h ALA 125 Cb 1.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1u9i h ALA 125 CO 0.11 0.38 -0.08 1.25 0.00 0.00 0.00 179.25 180.91 1u9i h LEU 126 N 0.58 -0.23 -1.12 0.00 5.85 0.34 0.14 115.31 120.88 1u9i h LEU 126 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1u9i h LEU 126 Cb 0.54 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1u9i h LEU 126 CO 0.03 -0.12 0.47 0.40 -0.34 0.00 0.00 178.44 178.87 1u9i h ILE 127 N -0.15 1.22 0.02 4.05 1.08 -1.28 0.90 117.51 123.34 1u9i h ILE 127 Ca 0.02 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 64.01 1u9i h ILE 127 Cb 0.18 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 1u9i h ILE 127 CO -0.06 0.24 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.15 1u9i h GLU 128 N 1.09 -0.25 0.46 2.37 5.08 -0.24 1.51 114.58 124.59 1u9i h GLU 128 Ca 0.28 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1u9i h GLU 128 Cb -0.03 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1u9i h GLU 128 CO -0.05 -0.17 -0.22 0.00 -1.00 0.00 0.00 179.01 177.57 1u9i h ARG 129 N -0.26 -0.59 -0.06 2.33 3.08 -0.03 1.14 114.38 119.99 1u9i h ARG 129 Ca 0.05 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1u9i h ARG 129 Cb 0.32 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 1u9i h ARG 129 CO -0.14 -0.35 -0.30 0.82 -1.07 0.00 0.00 179.97 178.94 1u9i h ILE 130 N -0.70 0.33 -0.40 2.04 2.04 1.00 0.82 117.51 122.63 1u9i h ILE 130 Ca -0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1u9i h ILE 130 Cb 0.52 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1u9i h ILE 130 CO 0.10 0.00 -0.02 -1.13 0.00 0.00 0.00 178.15 177.11 1u9i h ASN 131 N -0.41 -0.20 -0.10 1.72 -1.24 0.23 0.47 115.58 116.05 1u9i h ASN 131 Ca 0.08 0.10 0.04 0.00 0.71 0.00 0.00 56.30 57.23 1u9i h ASN 131 Cb 0.53 0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.70 1u9i h ASN 131 CO -0.29 -0.06 -0.31 0.22 -1.29 0.00 0.00 177.43 175.70 1u9i h TYR 132 N 0.09 -0.86 -0.43 0.67 3.20 0.31 0.47 116.97 120.42 1u9i h TYR 132 Ca 0.20 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1u9i h TYR 132 Cb 0.28 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1u9i h TYR 132 CO -0.28 -0.39 0.28 0.00 -1.64 0.00 0.00 178.16 176.13 1u9i h ALA 133 N 0.40 0.54 -0.51 1.82 0.00 0.15 0.29 119.26 121.95 1u9i h ALA 133 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1u9i h ALA 133 Cb 0.54 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1u9i h ALA 133 CO -0.33 -0.01 0.12 0.82 0.00 0.00 0.00 179.25 179.86 1u9i h ILE 134 N 0.58 0.74 -0.10 0.00 2.04 0.47 -0.38 117.51 120.86 1u9i h ILE 134 Ca 0.16 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1u9i h ILE 134 Cb -0.06 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1u9i h ILE 134 CO -0.04 0.05 -0.04 1.56 0.00 0.00 0.00 178.15 179.68 1u9i h GLN 135 N 0.27 0.20 -0.35 2.37 4.20 -0.43 0.43 115.11 121.80 1u9i h GLN 135 Ca 0.25 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.95 1u9i h GLN 135 Cb 0.33 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 1u9i h GLN 135 CO -0.31 0.55 -0.12 -0.22 -0.67 0.00 0.00 178.83 178.06 1u9i h LYS 136 N -0.15 -0.04 -0.13 1.46 3.64 0.10 -2.58 116.57 118.87 1u9i h LYS 136 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1u9i h LYS 136 Cb 0.49 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1u9i h LYS 136 CO 0.01 -0.03 0.00 0.66 -2.27 0.00 0.00 179.45 177.82 1u9i n TYR 137 N -5.31 0.14 -3.44 1.91 4.02 -0.20 -4.95 117.16 109.33 1u9i n TYR 137 Ca 0.01 -0.07 -0.17 0.00 -0.01 0.00 0.00 57.90 57.66 1u9i n TYR 137 Cb 0.22 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.62 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 1.17 -6.04 -2.18 -0.72 1.74 0.48 -4.76 116.66 106.36 1u9i n ARG 138 Ca 0.16 0.83 -0.40 0.00 -0.77 0.00 0.00 57.85 57.67 1u9i n ARG 138 Cb 0.55 -5.80 -0.02 0.00 -1.02 0.00 0.00 32.46 26.17 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 -3.39 3.41 -0.09 7.54 0.00 0.12 -4.37 121.76 124.98 1u9i s ALA 139 Ca 0.05 1.17 0.09 0.00 0.00 0.00 0.00 51.96 53.27 1u9i s ALA 139 Cb -0.01 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1u9i s ALA 139 CO 0.74 -0.59 0.05 0.54 0.00 0.00 0.00 175.76 176.50 1u9i n ARG 140 N 0.66 2.23 -4.84 0.00 5.12 0.31 -4.91 116.66 115.24 1u9i n ARG 140 Ca 0.01 -0.01 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 1u9i n ARG 140 Cb 0.43 -1.26 -0.15 0.00 -1.16 0.00 0.00 32.46 30.33 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 -2.27 1.63 -0.01 5.56 0.52 -1.07 -3.28 118.95 120.03 1u9i s ARG 141 Ca -0.05 -0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1u9i s ARG 141 Cb 0.03 -1.74 -0.00 0.00 0.52 0.00 0.00 34.95 33.76 1u9i s ARG 141 CO 0.41 0.45 0.05 0.08 0.02 0.00 0.00 175.30 176.32 1u9i s VAL 142 N -0.75 0.04 -0.10 3.52 1.01 -0.99 -1.17 120.40 121.96 1u9i s VAL 142 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1u9i s VAL 142 Cb -0.09 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.15 1u9i s VAL 142 CO 0.01 -0.18 0.21 -0.94 0.00 0.00 0.00 175.10 174.21 1u9i s SER 143 N -0.54 0.15 -0.25 3.32 1.04 -0.90 -0.80 113.70 115.73 1u9i s SER 143 Ca -0.06 0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.73 1u9i s SER 143 Cb -0.04 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1u9i s SER 143 CO 0.00 -0.20 0.13 -0.63 0.98 0.00 0.00 173.24 173.52 1u9i s ILE 144 N 1.77 4.93 -0.26 -1.02 -1.09 0.09 -1.68 121.20 123.93 1u9i s ILE 144 Ca -0.04 0.03 -0.16 0.00 -2.23 0.00 0.00 60.65 58.25 1u9i s ILE 144 Cb -0.11 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1u9i s ILE 144 CO -0.07 0.33 0.44 -0.62 -1.23 0.00 0.00 174.94 173.79 1u9i s ASP 145 N 1.33 6.34 -0.72 3.58 3.68 -0.09 -1.62 116.67 129.17 1u9i s ASP 145 Ca 0.06 0.40 -0.02 0.00 2.13 0.00 0.00 52.55 55.13 1u9i s ASP 145 Cb -0.15 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.08 1u9i s ASP 145 CO 0.06 -0.23 0.68 -1.54 0.13 0.00 0.00 175.17 174.27 1u9i n SER 146 N 5.42 -7.59 0.24 -0.34 3.41 -1.04 -3.44 113.62 110.27 1u9i n SER 146 Ca -0.06 -0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.59 1u9i n SER 146 Cb 0.50 -5.03 0.53 0.00 -0.26 0.00 0.00 64.21 59.95 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 0.56 0.37 -0.28 -3.33 -1.51 -1.69 -2.96 116.25 107.41 1u9i h VAL 147 Ca -0.05 -0.91 0.07 0.00 -1.23 0.00 0.00 66.70 64.57 1u9i h VAL 147 Cb 1.03 1.68 -0.08 0.00 -2.13 0.00 0.00 31.29 31.80 1u9i h VAL 147 CO 0.30 0.14 -0.25 0.74 -1.23 0.00 0.00 177.57 177.27 1u9i h THR 148 N 0.00 0.37 -0.69 7.19 2.02 -1.91 -1.97 112.91 117.91 1u9i h THR 148 Ca -0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1u9i h THR 148 Cb 0.67 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1u9i h THR 148 CO 0.02 0.00 0.49 0.77 0.37 0.00 0.00 175.52 177.17 1u9i h SER 149 N -0.24 0.07 0.55 4.18 4.64 -1.89 -2.83 113.55 118.03 1u9i h SER 149 Ca 0.15 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1u9i h SER 149 Cb 0.47 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1u9i h SER 149 CO -0.42 0.03 -0.28 1.62 -0.87 0.00 0.00 176.83 176.91 1u9i h VAL 150 N 0.07 0.00 0.00 0.95 3.04 -1.50 -2.74 116.25 116.07 1u9i h VAL 150 Ca 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1u9i h VAL 150 Cb 1.23 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1u9i h VAL 150 CO -0.03 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.75 1u9i n PHE 151 N -4.10 0.00 0.55 3.17 1.16 -1.18 -3.63 117.46 113.43 1u9i n PHE 151 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1u9i n PHE 151 Cb 0.30 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 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 -0.47 0.97 -0.08 3.97 1.13 -1.03 -3.42 117.38 118.45 1u9i n GLN 152 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1u9i n GLN 152 Cb 0.01 -1.02 -0.14 0.00 0.11 0.00 0.00 30.24 29.21 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 0.80 0.68 0.00 -1.09 6.02 -1.24 -4.93 117.38 117.62 1u9i n GLN 153 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1u9i n GLN 153 Cb 0.48 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 -3.04 0.00 -4.40 1.08 0.18 -1.22 -5.12 117.16 104.64 1u9i n TYR 154 Ca -0.33 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.20 1u9i n TYR 154 Cb 1.08 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.95 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 4.03 0.26 9.48 1.01 -1.23 -5.15 116.67 125.08 1u9i s ASP 155 Ca 0.00 -1.05 0.09 0.00 0.71 0.00 0.00 52.55 52.30 1u9i s ASP 155 Cb 0.00 -0.48 -0.04 0.00 1.01 0.00 0.00 42.92 43.41 1u9i s ASP 155 CO 0.00 -0.22 0.05 0.00 0.21 0.00 0.00 175.17 175.21 1u9i s ALA 156 N -2.54 3.27 0.33 5.23 0.00 -1.26 -4.98 121.76 121.82 1u9i s ALA 156 Ca 0.34 -1.57 0.12 0.00 0.00 0.00 0.00 51.96 50.85 1u9i s ALA 156 Cb 0.00 -0.93 1.02 0.00 0.00 0.00 0.00 23.12 23.22 1u9i s ALA 156 CO 0.18 0.28 1.65 0.66 0.00 0.00 0.00 175.76 178.53 1u9i h SER 157 N 1.85 0.34 -0.26 0.00 4.64 -1.99 0.38 113.55 118.52 1u9i h SER 157 Ca -0.46 0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1u9i h SER 157 Cb 1.24 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1u9i h SER 157 CO 0.60 -0.18 0.03 0.77 -0.87 0.00 0.00 176.83 177.18 1u9i h SER 158 N 0.25 0.42 -0.34 4.97 4.64 -1.95 -0.42 113.55 121.11 1u9i h SER 158 Ca 0.70 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.68 1u9i h SER 158 Cb 1.59 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 1u9i h SER 158 CO -0.65 0.59 0.01 0.58 -0.87 0.00 0.00 176.83 176.49 1u9i h VAL 159 N 0.23 1.23 -0.61 0.95 2.07 -1.42 -2.75 116.25 115.95 1u9i h VAL 159 Ca 0.08 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1u9i h VAL 159 Cb 0.36 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1u9i h VAL 159 CO 0.01 0.32 0.02 0.58 0.02 0.00 0.00 177.57 178.53 1u9i h VAL 160 N 0.66 1.26 -0.74 2.57 2.07 -0.77 -2.82 116.25 118.49 1u9i h VAL 160 Ca 0.13 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1u9i h VAL 160 Cb 0.40 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1u9i h VAL 160 CO 0.02 0.41 0.30 -0.09 0.02 0.00 0.00 177.57 178.22 1u9i h ARG 161 N 0.95 1.10 0.49 1.57 2.43 -0.80 -2.11 114.38 118.02 1u9i h ARG 161 Ca 0.17 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1u9i h ARG 161 Cb 0.53 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1u9i h ARG 161 CO 0.03 0.89 -0.24 0.00 -1.51 0.00 0.00 179.97 179.14 1u9i h ARG 162 N 1.08 -0.64 -0.76 0.20 3.08 -1.44 -1.80 114.38 114.10 1u9i h ARG 162 Ca 0.25 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.51 1u9i h ARG 162 Cb 0.20 0.14 -0.11 0.00 0.08 0.00 0.00 29.97 30.28 1u9i h ARG 162 CO -0.02 -0.34 0.21 0.93 -1.07 0.00 0.00 179.97 179.68 1u9i h GLU 163 N -1.02 0.29 -0.18 0.04 4.39 -1.50 0.38 114.58 116.98 1u9i h GLU 163 Ca -0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1u9i h GLU 163 Cb 0.60 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1u9i h GLU 163 CO 0.11 0.19 0.06 -0.07 -1.16 0.00 0.00 179.01 178.14 1u9i h LEU 164 N 0.29 0.26 -0.70 1.33 3.38 -1.41 -0.02 115.31 118.45 1u9i h LEU 164 Ca 0.43 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1u9i h LEU 164 Cb 0.74 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1u9i h LEU 164 CO -0.51 0.39 0.34 0.15 0.09 0.00 0.00 178.44 178.90 1u9i h PHE 165 N 0.12 0.60 0.29 1.13 3.57 -0.09 0.92 116.94 123.47 1u9i h PHE 165 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1u9i h PHE 165 Cb 0.22 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1u9i h PHE 165 CO -0.00 0.20 -0.14 -0.09 -2.23 0.00 0.00 178.31 176.05 1u9i h ARG 166 N 0.56 -0.38 -0.30 1.11 2.43 -0.08 -0.47 114.38 117.26 1u9i h ARG 166 Ca 0.35 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 1u9i h ARG 166 Cb 0.40 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1u9i h ARG 166 CO -0.29 -0.17 -0.06 1.25 -1.51 0.00 0.00 179.97 179.19 1u9i h LEU 167 N -0.51 -0.25 -0.23 3.80 5.85 -0.37 -0.79 115.31 122.80 1u9i h LEU 167 Ca -0.04 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1u9i h LEU 167 Cb 0.38 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1u9i h LEU 167 CO 0.07 -0.08 0.14 0.58 -0.34 0.00 0.00 178.44 178.80 1u9i h VAL 168 N 0.02 1.10 -0.03 1.05 2.07 -0.81 -2.30 116.25 117.35 1u9i h VAL 168 Ca 0.14 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1u9i h VAL 168 Cb 0.21 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1u9i h VAL 168 CO -0.29 0.09 -0.18 0.00 0.02 0.00 0.00 177.57 177.21 1u9i h ALA 169 N 1.04 -0.20 -0.13 1.67 0.00 -0.63 -0.02 119.26 120.98 1u9i h ALA 169 Ca 0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1u9i h ALA 169 Cb 0.03 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1u9i h ALA 169 CO -0.02 -0.66 0.05 0.00 0.00 0.00 0.00 179.25 178.62 1u9i h ARG 170 N -0.28 0.12 -0.60 0.00 2.47 -1.12 -0.74 114.38 114.23 1u9i h ARG 170 Ca 0.07 -0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.87 1u9i h ARG 170 Cb 0.37 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 1u9i h ARG 170 CO -0.19 0.08 0.40 -0.07 0.56 0.00 0.00 179.97 180.75 1u9i h LEU 171 N 0.12 0.41 0.16 3.04 3.38 -1.17 -0.57 115.31 120.68 1u9i h LEU 171 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1u9i h LEU 171 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1u9i h LEU 171 CO -0.05 0.25 -0.08 0.50 0.09 0.00 0.00 178.44 179.16 1u9i h LYS 172 N 0.46 -0.21 -0.53 1.13 3.64 -0.11 -1.85 116.57 119.10 1u9i h LYS 172 Ca 0.27 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 1u9i h LYS 172 Cb 0.47 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 1u9i h LYS 172 CO -0.08 0.06 0.04 1.96 -2.27 0.00 0.00 179.45 179.16 1u9i h GLN 173 N -0.47 0.16 0.00 1.90 4.20 0.21 0.42 115.11 121.53 1u9i h GLN 173 Ca -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1u9i h GLN 173 Cb 0.37 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1u9i h GLN 173 CO 0.04 0.10 -0.03 0.82 -0.67 0.00 0.00 178.83 179.09 1u9i h ILE 174 N 0.16 0.30 0.00 2.54 1.08 -1.02 -3.46 117.51 117.11 1u9i h ILE 174 Ca 0.27 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1u9i h ILE 174 Cb 0.41 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1u9i h ILE 174 CO -0.41 0.03 0.00 0.61 -0.69 0.00 0.00 178.15 177.68 1u9i n GLY 175 N -0.98 0.53 3.72 5.37 0.00 0.15 -5.05 105.19 108.93 1u9i n GLY 175 Ca -0.02 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 3.24 -0.51 4.61 0.00 -0.88 -4.36 121.76 121.87 1u9i s ALA 176 Ca 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 1u9i s ALA 176 Cb 0.00 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1u9i s ALA 176 CO 0.00 -0.10 0.78 0.99 0.00 0.00 0.00 175.76 177.44 1u9i s THR 177 N 0.48 4.63 0.17 0.00 2.01 -1.21 -3.81 115.64 117.91 1u9i s THR 177 Ca 0.46 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.56 1u9i s THR 177 Cb -0.21 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1u9i s THR 177 CO 0.27 -0.90 0.13 -0.89 -0.69 0.00 0.00 174.62 172.54 1u9i s THR 178 N 3.31 4.42 -0.20 -0.82 2.01 -0.62 -2.35 115.64 121.37 1u9i s THR 178 Ca 0.25 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1u9i s THR 178 Cb -0.15 -3.26 0.04 0.00 0.01 0.00 0.00 72.50 69.15 1u9i s THR 178 CO 0.17 -0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.19 1u9i s VAL 179 N -1.77 1.69 -0.15 3.82 1.01 0.02 -0.81 120.40 124.21 1u9i s VAL 179 Ca 0.31 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1u9i s VAL 179 Cb -0.10 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1u9i s VAL 179 CO 0.23 0.15 0.02 -0.04 0.00 0.00 0.00 175.10 175.46 1u9i s MET 180 N 1.37 3.61 -0.20 2.72 -1.94 0.14 -0.73 119.30 124.28 1u9i s MET 180 Ca -0.02 -0.40 -0.08 0.00 -1.71 0.00 0.00 55.69 53.48 1u9i s MET 180 Cb -0.16 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 1u9i s MET 180 CO -0.08 0.40 0.09 0.99 -0.01 0.00 0.00 175.02 176.41 1u9i s THR 181 N -0.02 5.00 0.14 2.05 2.01 -0.64 0.11 115.64 124.29 1u9i s THR 181 Ca 0.04 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1u9i s THR 181 Cb -0.13 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1u9i s THR 181 CO 0.02 0.44 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.34 1u9i s THR 182 N 0.49 1.47 0.09 -0.82 2.01 -0.20 -2.22 115.64 116.46 1u9i s THR 182 Ca 0.05 -1.81 0.05 0.00 0.31 0.00 0.00 61.69 60.29 1u9i s THR 182 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1u9i s THR 182 CO 0.00 -0.41 0.01 -1.83 -0.69 0.00 0.00 174.62 171.69 1u9i s GLU 183 N -2.80 2.57 0.48 4.92 -1.05 -1.26 -2.42 118.70 119.14 1u9i s GLU 183 Ca 0.12 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 54.11 1u9i s GLU 183 Cb -0.05 -2.55 -0.00 0.00 -0.44 0.00 0.00 34.13 31.09 1u9i s GLU 183 CO 0.04 0.54 0.01 0.54 0.95 0.00 0.00 175.26 177.34 1u9i n ARG 184 N 0.54 0.80 0.00 -4.83 1.74 -0.45 -2.77 116.66 111.69 1u9i n ARG 184 Ca -0.11 -3.54 0.00 0.00 -0.77 0.00 0.00 57.85 53.43 1u9i n ARG 184 Cb 0.52 1.03 0.00 0.00 -1.02 0.00 0.00 32.46 32.99 1u9i n ARG 184 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1u9i n ILE 185 N -1.19 0.00 -4.80 0.55 2.08 -1.26 -4.48 119.36 110.26 1u9i n ILE 185 Ca -0.19 -0.02 -0.27 0.00 0.56 0.00 0.00 62.75 62.83 1u9i n ILE 185 Cb 0.62 0.26 -0.17 0.00 -0.75 0.00 0.00 39.64 39.60 1u9i n ILE 185 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1u9i s GLU 186 N -0.49 2.06 0.54 0.38 -6.30 -1.26 -5.02 118.70 108.60 1u9i s GLU 186 Ca 0.00 -0.57 0.22 0.00 -2.50 0.00 0.00 54.97 52.12 1u9i s GLU 186 Cb 0.00 -1.66 1.39 0.00 0.00 0.00 0.00 34.13 33.86 1u9i s GLU 186 CO 0.00 0.11 2.09 1.49 0.02 0.00 0.00 175.26 178.97 1u9i h GLU 187 N 6.76 0.00 0.00 4.30 4.57 -1.96 -3.03 114.58 125.21 1u9i h GLU 187 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1u9i h GLU 187 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1u9i h GLU 187 CO 0.47 0.00 -0.10 0.66 -1.18 0.00 0.00 179.01 178.86 1u9i n TYR 188 N -4.35 0.00 -0.03 0.92 4.02 -1.26 -4.96 117.16 111.49 1u9i n TYR 188 Ca 0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 1u9i n TYR 188 Cb 0.31 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.36 1.13 3.68 2.72 0.00 -1.15 -4.98 105.19 106.24 1u9i n GLY 189 Ca 0.02 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1u9i n GLY 189 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u9i n PRO 190 N 0.00 0.49 0.05 1.61 -0.04 -1.26 -4.90 135.00 130.95 1u9i n PRO 190 Ca 0.00 0.23 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1u9i n PRO 190 Cb 0.00 -2.41 0.22 0.00 -0.04 0.00 0.00 33.50 31.27 1u9i n PRO 190 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1u9i h ILE 191 N -0.40 1.27 -4.13 0.52 1.08 -1.93 -3.45 117.51 110.47 1u9i h ILE 191 Ca -0.48 -1.32 -0.15 0.00 -0.39 0.00 0.00 64.86 62.53 1u9i h ILE 191 Cb 1.32 1.46 -0.13 0.00 -3.07 0.00 0.00 36.82 36.40 1u9i h ILE 191 CO 0.48 0.41 -0.43 0.00 -0.69 0.00 0.00 178.15 177.92 1u9i s ALA 192 N -4.38 0.42 0.14 1.87 0.00 -1.26 -4.69 121.76 113.86 1u9i s ALA 192 Ca -0.06 -1.20 -0.32 0.00 0.00 0.00 0.00 51.96 50.38 1u9i s ALA 192 Cb 0.14 1.02 -0.09 0.00 0.00 0.00 0.00 23.12 24.18 1u9i s ALA 192 CO 0.78 -0.63 1.54 0.00 0.00 0.00 0.00 175.76 177.45 1u9i h ARG 193 N 2.59 -0.20 -0.01 0.00 3.08 -1.84 -2.70 114.38 115.30 1u9i h ARG 193 Ca -0.33 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1u9i h ARG 193 Cb 1.23 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1u9i h ARG 193 CO 0.50 -0.14 -0.03 0.66 -1.07 0.00 0.00 179.97 179.89 1u9i n TYR 194 N -5.29 0.00 -2.22 3.04 4.02 -1.26 -4.91 117.16 110.53 1u9i n TYR 194 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 1u9i n TYR 194 Cb 0.30 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.55 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 1.14 -0.04 0.00 2.72 0.00 -1.02 -4.81 105.19 103.18 1u9i n GLY 195 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.77 0.00 -0.29 1.61 0.31 -1.26 -4.83 118.33 110.10 1u9i n VAL 196 Ca -0.22 0.00 0.25 0.00 -0.01 0.00 0.00 64.34 64.36 1u9i n VAL 196 Cb 0.66 -0.35 0.57 0.00 -0.91 0.00 0.00 33.84 33.81 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 0.28 -0.77 5.55 3.07 -1.93 -2.23 114.58 118.56 1u9i h GLU 197 Ca 0.00 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.92 1u9i h GLU 197 Cb 0.61 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.39 1u9i h GLU 197 CO 0.00 0.19 0.44 0.93 -1.40 0.00 0.00 179.01 179.17 1u9i h GLU 198 N 0.29 0.76 0.00 2.33 3.07 -1.94 -2.45 114.58 116.65 1u9i h GLU 198 Ca 0.55 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1u9i h GLU 198 Cb 1.58 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1u9i h GLU 198 CO -0.20 0.51 -0.35 0.74 -1.40 0.00 0.00 179.01 178.30 1u9i h PHE 199 N 0.79 0.00 0.00 4.33 0.04 -1.76 -3.32 116.94 117.02 1u9i h PHE 199 Ca 0.35 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.89 1u9i h PHE 199 Cb 0.25 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 1u9i h PHE 199 CO -0.06 0.00 -1.32 0.28 -0.60 0.00 0.00 178.31 176.61 1u9i h VAL 200 N 0.00 1.08 -3.94 -0.55 2.07 -1.44 -3.46 116.25 110.00 1u9i h VAL 200 Ca 0.00 -2.78 -0.46 0.00 0.82 0.00 0.00 66.70 64.28 1u9i h VAL 200 Cb 0.95 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 1u9i h VAL 200 CO 0.00 0.61 0.28 -0.44 0.02 0.00 0.00 177.57 178.04 1u9i s SER 201 N -6.28 6.97 0.13 0.57 0.01 -0.95 -4.93 113.70 109.22 1u9i s SER 201 Ca -0.02 1.61 0.09 0.00 1.31 0.00 0.00 55.95 58.95 1u9i s SER 201 Cb 0.09 -2.50 -0.16 0.00 0.21 0.00 0.00 66.02 63.65 1u9i s SER 201 CO 0.81 -0.27 1.24 0.44 0.41 0.00 0.00 173.24 175.88 1u9i h ASP 202 N 2.23 0.00 -3.93 2.44 3.32 -1.89 -3.46 116.42 115.14 1u9i h ASP 202 Ca -0.48 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.20 1u9i h ASP 202 Cb 1.18 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.44 1u9i h ASP 202 CO 0.63 0.91 -0.77 0.20 -1.72 0.00 0.00 179.24 178.49 1u9i s ASN 203 N -6.59 0.85 -0.04 6.45 0.01 -1.24 -1.61 114.94 112.77 1u9i s ASN 203 Ca 0.01 -0.13 0.02 0.00 -0.71 0.00 0.00 52.86 52.05 1u9i s ASN 203 Cb 0.09 -0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.64 1u9i s ASN 203 CO 0.81 0.08 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.69 1u9i s VAL 204 N -0.07 0.82 -0.06 1.60 1.01 -0.45 -0.05 120.40 123.20 1u9i s VAL 204 Ca 0.01 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1u9i s VAL 204 Cb -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1u9i s VAL 204 CO -0.00 0.27 -0.12 -0.69 0.00 0.00 0.00 175.10 174.56 1u9i s VAL 205 N 0.43 1.08 -0.16 2.92 1.01 0.28 -1.32 120.40 124.66 1u9i s VAL 205 Ca -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1u9i s VAL 205 Cb -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1u9i s VAL 205 CO 0.01 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 1u9i s ILE 206 N 0.63 2.91 -0.23 2.22 -1.09 0.38 -1.36 121.20 124.66 1u9i s ILE 206 Ca -0.13 -0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 57.51 1u9i s ILE 206 Cb -0.15 -2.24 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 1u9i s ILE 206 CO 0.03 0.50 0.11 -0.76 -1.23 0.00 0.00 174.94 173.60 1u9i s LEU 207 N 0.77 3.83 0.05 2.97 1.43 0.04 -1.17 118.68 126.59 1u9i s LEU 207 Ca -0.05 -0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1u9i s LEU 207 Cb -0.15 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1u9i s LEU 207 CO 0.01 0.05 -0.23 -0.13 0.23 0.00 0.00 176.35 176.28 1u9i s ARG 208 N 1.15 1.88 -0.56 1.70 0.52 0.04 -4.15 118.95 119.55 1u9i s ARG 208 Ca 0.06 -1.08 0.07 0.00 -0.52 0.00 0.00 55.73 54.26 1u9i s ARG 208 Cb -0.14 -2.06 0.28 0.00 0.52 0.00 0.00 34.95 33.55 1u9i s ARG 208 CO 0.04 0.52 0.76 -1.71 0.02 0.00 0.00 175.30 174.93 1u9i n ASN 209 N 1.59 3.06 -4.71 0.23 4.05 -1.26 -0.75 115.26 117.47 1u9i n ASN 209 Ca -0.17 -3.34 -0.42 0.00 0.45 0.00 0.00 54.58 51.10 1u9i n ASN 209 Cb 0.52 -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 -2.77 2.94 0.00 3.44 1.01 -0.28 -4.67 120.40 120.07 1u9i s VAL 210 Ca 0.41 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1u9i s VAL 210 Cb 0.21 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1u9i s VAL 210 CO -0.07 0.02 0.00 -0.11 0.00 0.00 0.00 175.10 174.95 1u9i n LEU 211 N 4.64 0.00 -1.39 3.92 7.94 -1.26 -0.50 117.00 130.35 1u9i n LEU 211 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1u9i n LEU 211 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1u9i n LEU 211 CO 0.61 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 178.10 1u9i n GLU 212 N 0.00 0.00 -3.18 1.96 0.00 -1.24 -4.36 120.64 113.82 1u9i n GLU 212 Ca 0.00 0.46 -0.15 0.00 0.00 0.00 0.00 57.16 57.47 1u9i n GLU 212 Cb 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 31.44 30.57 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 0.07 -0.12 3.93 8.31 0.00 -1.26 -3.04 105.19 113.08 1u9i n GLY 213 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.52 0.00 -4.13 1.61 1.02 -1.26 -4.95 120.64 109.41 1u9i n GLU 214 Ca -0.08 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.82 1u9i n GLU 214 Cb 0.57 -3.90 -0.06 0.00 -0.02 0.00 0.00 31.44 28.04 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 -0.60 2.79 -0.07 3.49 1.81 -1.17 -5.12 118.95 120.07 1u9i s ARG 215 Ca 0.00 -1.01 0.05 0.00 -1.72 0.00 0.00 55.73 53.05 1u9i s ARG 215 Cb 0.00 -2.53 -0.01 0.00 -0.45 0.00 0.00 34.95 31.96 1u9i s ARG 215 CO 0.00 0.44 -0.24 1.03 -0.68 0.00 0.00 175.30 175.85 1u9i s ARG 216 N -3.38 2.71 -0.13 3.54 1.81 -1.26 -3.69 118.95 118.55 1u9i s ARG 216 Ca 0.31 -0.88 0.02 0.00 -1.72 0.00 0.00 55.73 53.46 1u9i s ARG 216 Cb -0.09 -2.23 0.02 0.00 -0.45 0.00 0.00 34.95 32.20 1u9i s ARG 216 CO 0.23 0.34 -0.17 0.50 -0.68 0.00 0.00 175.30 175.52 1u9i s ARG 217 N -0.04 2.45 -0.16 3.54 3.52 0.35 -4.92 118.95 123.68 1u9i s ARG 217 Ca -0.07 -0.64 -0.17 0.00 -0.13 0.00 0.00 55.73 54.73 1u9i s ARG 217 Cb -0.15 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 1u9i s ARG 217 CO 0.05 -0.09 0.41 1.03 -0.81 0.00 0.00 175.30 175.89 1u9i s ARG 218 N 1.05 4.26 0.15 5.12 0.52 -1.26 -1.13 118.95 127.67 1u9i s ARG 218 Ca -0.04 0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 1u9i s ARG 218 Cb -0.15 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1u9i s ARG 218 CO -0.04 0.09 -0.10 0.95 0.02 0.00 0.00 175.30 176.23 1u9i s THR 219 N 0.87 1.19 -0.01 0.02 -4.23 0.07 -0.80 115.64 112.75 1u9i s THR 219 Ca 0.22 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1u9i s THR 219 Cb -0.14 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.83 1u9i s THR 219 CO 0.08 -0.73 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.15 1u9i s LEU 220 N -3.18 1.89 -0.00 4.79 0.20 0.20 -0.78 118.68 121.80 1u9i s LEU 220 Ca 0.17 -0.11 0.01 0.00 0.69 0.00 0.00 54.13 54.89 1u9i s LEU 220 Cb 0.02 -0.34 0.00 0.00 -0.43 0.00 0.00 46.19 45.44 1u9i s LEU 220 CO 0.01 0.05 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.40 1u9i s GLU 221 N 0.04 0.18 -0.48 1.98 2.12 -0.32 -0.94 118.70 121.28 1u9i s GLU 221 Ca 0.00 -0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.14 1u9i s GLU 221 Cb -0.05 -0.19 0.10 0.00 0.26 0.00 0.00 34.13 34.25 1u9i s GLU 221 CO -0.00 0.03 0.38 0.42 -0.54 0.00 0.00 175.26 175.56 1u9i s ILE 222 N 0.03 4.77 0.11 -3.70 -1.09 -1.26 -0.47 121.20 119.59 1u9i s ILE 222 Ca 0.00 -1.43 -0.16 0.00 -2.23 0.00 0.00 60.65 56.83 1u9i s ILE 222 Cb -0.02 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1u9i s ILE 222 CO -0.00 -0.69 1.54 0.25 -1.23 0.00 0.00 174.94 174.80 1u9i h LEU 223 N 8.65 0.60 -7.00 2.97 6.46 -1.56 -3.43 115.31 122.00 1u9i h LEU 223 Ca -0.26 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.17 1u9i h LEU 223 Cb 1.09 -0.16 -0.17 0.00 -0.73 0.00 0.00 40.66 40.69 1u9i h LEU 223 CO 0.90 0.78 0.28 -1.59 -0.62 0.00 0.00 178.44 178.19 1u9i s LYS 224 N -4.94 1.04 -0.35 1.25 -2.85 -1.20 -4.99 119.74 107.69 1u9i s LYS 224 Ca -0.13 -0.08 0.02 0.00 -1.00 0.00 0.00 55.97 54.78 1u9i s LYS 224 Cb 0.09 0.49 0.15 0.00 -2.06 0.00 0.00 37.83 36.49 1u9i s LYS 224 CO 0.78 -0.39 0.32 -0.51 0.10 0.00 0.00 175.35 175.65 1u9i s LEU 225 N -1.89 0.15 -0.04 2.77 1.43 -1.26 -1.34 118.68 118.50 1u9i s LEU 225 Ca -0.04 -1.60 -0.37 0.00 -1.03 0.00 0.00 54.13 51.10 1u9i s LEU 225 Cb -0.01 0.33 -0.16 0.00 0.03 0.00 0.00 46.19 46.39 1u9i s LEU 225 CO -0.01 -0.29 1.55 0.54 0.23 0.00 0.00 176.35 178.37 1u9i n ARG 226 N 4.36 1.36 0.00 1.70 1.74 -0.63 -2.27 116.66 122.92 1u9i n ARG 226 Ca 0.09 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1u9i n ARG 226 Cb 0.43 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 3.36 3.37 2.37 -0.13 0.00 -1.26 -5.01 105.19 107.89 1u9i n GLY 227 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.79 0.00 -2.97 2.61 -2.24 -0.96 -4.64 114.28 104.29 1u9i n THR 228 Ca 0.00 -1.55 -0.19 0.00 -2.27 0.00 0.00 64.05 60.04 1u9i n THR 228 Cb 0.00 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.63 5.34 -0.17 3.42 1.04 -1.26 -4.72 113.70 114.72 1u9i s SER 229 Ca 0.25 -0.55 -0.35 0.00 0.48 0.00 0.00 55.95 55.78 1u9i s SER 229 Cb 0.00 -0.27 0.14 0.00 0.10 0.00 0.00 66.02 65.99 1u9i s SER 229 CO 0.18 -1.07 1.30 -1.38 0.98 0.00 0.00 173.24 173.24 1u9i s HIS 230 N -2.55 -0.07 0.35 5.02 -0.00 -1.26 -4.56 115.29 112.23 1u9i s HIS 230 Ca 0.58 0.02 -0.27 0.00 -0.00 0.00 0.00 55.06 55.40 1u9i s HIS 230 Cb -0.08 0.52 -0.09 0.00 -0.00 0.00 0.00 32.58 32.92 1u9i s HIS 230 CO 0.36 -0.15 1.12 -1.64 -0.00 0.00 0.00 174.74 174.43 1u9i s MET 231 N -2.28 4.31 0.20 -0.38 -1.94 0.13 -5.00 119.30 114.35 1u9i s MET 231 Ca 0.12 1.76 0.05 0.00 -1.71 0.00 0.00 55.69 55.91 1u9i s MET 231 Cb 0.01 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 1u9i s MET 231 CO -0.04 -0.08 0.22 0.15 -0.01 0.00 0.00 175.02 175.26 1u9i s LYS 232 N -2.02 3.08 0.05 2.03 3.01 -1.26 -4.56 119.74 120.06 1u9i s LYS 232 Ca 0.52 -0.87 0.00 0.00 -1.01 0.00 0.00 55.97 54.61 1u9i s LYS 232 Cb -0.29 -2.71 0.00 0.00 -1.01 0.00 0.00 37.83 33.82 1u9i s LYS 232 CO 0.37 0.45 0.00 0.41 0.51 0.00 0.00 175.35 177.10 1u9i n GLY 233 N -0.83 -3.49 3.87 -3.33 0.00 -1.26 -4.98 105.19 95.17 1u9i n GLY 233 Ca -0.08 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.80 3.83 -0.04 1.61 2.02 -1.26 -4.29 118.70 119.76 1u9i s GLU 234 Ca 0.00 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 1u9i s GLU 234 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.70 1u9i s GLU 234 CO 0.00 0.22 0.09 0.71 0.02 0.00 0.00 175.26 176.30 1u9i s TYR 235 N -1.96 -0.05 0.42 1.61 1.51 -0.11 -4.90 117.35 113.87 1u9i s TYR 235 Ca 0.49 0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 56.62 1u9i s TYR 235 Cb -0.11 -0.23 -0.08 0.00 -0.11 0.00 0.00 41.96 41.43 1u9i s TYR 235 CO 0.23 -0.15 1.14 -1.25 -1.11 0.00 0.00 175.55 174.41 1u9i s PRO 236 N 1.42 3.97 0.12 -1.71 0.04 -1.26 0.60 135.00 138.19 1u9i s PRO 236 Ca -0.05 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 1u9i s PRO 236 Cb -0.12 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1u9i s PRO 236 CO -0.04 -0.37 0.22 -0.59 0.04 0.00 0.00 177.00 176.26 1u9i s PHE 237 N -1.51 0.29 0.09 0.56 -0.12 0.02 -2.07 117.98 115.25 1u9i s PHE 237 Ca 0.59 -0.69 0.07 0.00 -0.05 0.00 0.00 56.93 56.85 1u9i s PHE 237 Cb -0.28 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 41.99 1u9i s PHE 237 CO 0.35 -0.61 -0.18 0.99 -0.05 0.00 0.00 175.22 175.72 1u9i s THR 238 N -3.91 1.49 -0.25 -4.49 2.01 0.13 -4.36 115.64 106.27 1u9i s THR 238 Ca 0.11 -1.45 -0.07 0.00 0.31 0.00 0.00 61.69 60.59 1u9i s THR 238 Cb 0.04 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1u9i s THR 238 CO -0.06 -0.11 0.05 -0.63 -0.69 0.00 0.00 174.62 173.18 1u9i s ILE 239 N -1.19 4.15 0.00 1.82 1.01 -1.26 -0.09 121.20 125.64 1u9i s ILE 239 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1u9i s ILE 239 Cb -0.10 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1u9i s ILE 239 CO 0.03 0.35 0.00 0.35 0.00 0.00 0.00 174.94 175.67 1u9i n THR 240 N 4.90 0.00 0.94 2.92 -2.24 -0.64 -4.96 114.28 115.21 1u9i n THR 240 Ca -0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1u9i n THR 240 Cb 0.51 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.29 1u9i n THR 240 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u9i n ASP 241 N -0.24 0.00 -0.95 3.42 8.00 -1.26 -2.31 116.55 123.21 1u9i n ASP 241 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1u9i n ASP 241 Cb 0.00 -0.41 0.21 0.00 -0.02 0.00 0.00 41.12 40.89 1u9i n ASP 241 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1u9i n HIS 242 N -1.41 0.81 -4.41 1.24 8.25 -1.26 -4.37 115.22 114.07 1u9i n HIS 242 Ca 0.08 -1.43 0.00 0.00 -0.26 0.00 0.00 57.72 56.11 1u9i n HIS 242 Cb 0.24 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.06 -0.33 3.73 -1.41 0.00 -0.98 -4.81 105.19 100.33 1u9i n GLY 243 Ca 0.28 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 2.73 -0.16 -0.61 1.01 -1.26 -1.62 121.20 121.29 1u9i s ILE 244 Ca 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 1u9i s ILE 244 Cb 0.00 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.16 1u9i s ILE 244 CO 0.00 0.06 -0.03 0.21 0.00 0.00 0.00 174.94 175.18 1u9i s ASN 245 N 0.90 2.69 -0.06 3.58 2.47 0.87 -4.36 114.94 121.03 1u9i s ASN 245 Ca 0.66 -0.62 0.01 0.00 0.42 0.00 0.00 52.86 53.33 1u9i s ASN 245 Cb -0.42 -0.80 -0.03 0.00 -1.45 0.00 0.00 41.25 38.55 1u9i s ASN 245 CO 0.35 -0.21 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.83 1u9i s ILE 246 N 1.71 3.77 -0.36 -5.21 1.01 -0.79 0.18 121.20 121.51 1u9i s ILE 246 Ca 0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1u9i s ILE 246 Cb -0.15 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.85 1u9i s ILE 246 CO -0.07 0.57 0.10 -0.36 0.00 0.00 0.00 174.94 175.18 1u9i s PHE 247 N -0.85 3.57 -1.51 3.97 0.40 -0.88 -4.26 117.98 118.43 1u9i s PHE 247 Ca 0.13 -2.50 -0.12 0.00 -0.60 0.00 0.00 56.93 53.83 1u9i s PHE 247 Cb -0.11 -2.86 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 1u9i s PHE 247 CO 0.02 -0.93 2.53 -2.30 0.70 0.00 0.00 175.22 175.25 1u9i n PRO 248 N 4.48 3.18 0.21 0.24 -0.02 -1.26 -4.40 135.00 137.42 1u9i n PRO 248 Ca -0.03 -2.40 0.16 0.00 -2.02 0.00 0.00 63.50 59.20 1u9i n PRO 248 Cb 0.42 -3.07 0.62 0.00 -0.02 0.00 0.00 33.50 31.45 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 8.78 0.00 -2.39 2.45 3.38 -1.94 1.30 115.31 126.89 1u9i h LEU 249 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 1u9i h LEU 249 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1u9i h LEU 249 CO 1.84 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.98 1u9i n GLY 250 N -1.40 2.02 0.00 0.83 0.00 -1.26 -3.98 105.19 101.41 1u9i n GLY 250 Ca 0.04 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 1.30 2.88 -1.89 4.61 0.00 0.45 -4.98 120.51 122.88 1u9i n ALA 251 Ca 0.21 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1u9i n ALA 251 Cb 0.57 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.98 4.18 0.40 0.00 0.00 -1.17 -4.97 119.30 115.76 1u9i s MET 252 Ca 0.02 2.36 -0.21 0.00 0.00 0.00 0.00 55.69 57.86 1u9i s MET 252 Cb 0.06 -3.72 -0.11 0.00 0.00 0.00 0.00 34.83 31.06 1u9i s MET 252 CO 0.34 -0.79 0.92 1.03 0.00 0.00 0.00 175.02 176.53 1u9i s ARG 253 N 3.08 4.26 -1.20 4.11 0.52 -1.26 -4.95 118.95 123.50 1u9i s ARG 253 Ca 0.76 1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 57.00 1u9i s ARG 253 Cb -0.40 -2.32 0.01 0.00 0.52 0.00 0.00 34.95 32.77 1u9i s ARG 253 CO 0.33 0.05 2.73 -0.11 0.02 0.00 0.00 175.30 178.32 1u9i n LEU 254 N -0.39 7.86 -2.54 2.53 7.94 -1.26 -4.50 117.00 126.65 1u9i n LEU 254 Ca 0.06 -4.48 -0.21 0.00 -1.11 0.00 0.00 56.01 50.27 1u9i n LEU 254 Cb 0.53 -1.42 0.01 0.00 0.53 0.00 0.00 43.42 43.08 1u9i n LEU 254 CO 0.39 2.00 0.08 0.41 -1.11 0.00 0.00 177.39 179.16 1u9i n THR 255 N 2.29 1.90 -2.70 1.96 -1.04 -1.26 -5.08 114.28 110.35 1u9i n THR 255 Ca 0.65 -4.29 -0.37 0.00 -2.04 0.00 0.00 64.05 57.99 1u9i n THR 255 Cb 0.34 -0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 68.18 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 -3.40 4.53 0.22 -2.82 -1.52 -1.26 -5.00 119.66 110.42 1u9i s GLN 256 Ca 0.41 1.42 -0.30 0.00 -1.95 0.00 0.00 55.36 54.94 1u9i s GLN 256 Cb 0.42 -2.83 -0.09 0.00 -0.22 0.00 0.00 33.01 30.30 1u9i s GLN 256 CO -0.11 0.21 0.96 1.03 -0.25 0.00 0.00 175.29 177.13 1u9i s ARG 257 N -2.01 4.82 -0.04 2.91 0.52 -1.26 -5.02 118.95 118.87 1u9i s ARG 257 Ca 0.50 1.51 0.02 0.00 -0.52 0.00 0.00 55.73 57.25 1u9i s ARG 257 Cb -0.21 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 31.98 1u9i s ARG 257 CO 0.27 0.44 -0.10 0.45 0.02 0.00 0.00 175.30 176.38 1u9i s SER 258 N -0.97 1.41 0.30 0.23 0.15 -1.26 -4.90 113.70 108.65 1u9i s SER 258 Ca 0.42 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.87 1u9i s SER 258 Cb -0.26 -0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 63.53 1u9i s SER 258 CO 0.32 0.06 0.10 -0.94 1.20 0.00 0.00 173.24 173.98 1u9i s SER 259 N 0.35 1.71 0.00 5.45 1.04 -1.26 -5.05 113.70 115.93 1u9i s SER 259 Ca -0.07 -1.44 0.23 0.00 0.48 0.00 0.00 55.95 55.16 1u9i s SER 259 Cb -0.11 0.17 0.60 0.00 0.10 0.00 0.00 66.02 66.77 1u9i s SER 259 CO 0.01 -0.74 1.51 0.59 0.98 0.00 0.00 173.24 175.59 1u9i n ASN 260 N -0.68 3.84 -4.75 7.02 3.02 -1.26 -4.69 115.26 117.77 1u9i n ASN 260 Ca -0.01 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.13 1u9i n ASN 260 Cb 0.66 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 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 -1.13 3.03 0.37 2.41 1.01 -1.26 -4.94 120.40 119.89 1u9i s VAL 261 Ca 0.47 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.43 1u9i s VAL 261 Cb 0.25 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1u9i s VAL 261 CO 0.33 0.17 0.42 -0.13 0.00 0.00 0.00 175.10 175.89 1u9i s ARG 262 N -0.69 2.82 -0.02 2.72 1.81 -1.26 -0.42 118.95 123.90 1u9i s ARG 262 Ca 0.54 -1.26 -0.20 0.00 -1.72 0.00 0.00 55.73 53.09 1u9i s ARG 262 Cb -0.38 -2.61 0.04 0.00 -0.45 0.00 0.00 34.95 31.55 1u9i s ARG 262 CO 0.43 -0.06 0.43 0.08 -0.68 0.00 0.00 175.30 175.49 1u9i s VAL 263 N -2.32 0.04 0.61 3.52 1.01 0.28 -4.60 120.40 118.94 1u9i s VAL 263 Ca 0.47 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1u9i s VAL 263 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1u9i s VAL 263 CO 0.30 -0.18 1.03 -0.55 0.00 0.00 0.00 175.10 175.69 1u9i s SER 264 N -1.33 6.10 0.07 3.32 0.15 -1.26 -0.47 113.70 120.28 1u9i s SER 264 Ca -0.12 1.51 0.21 0.00 0.70 0.00 0.00 55.95 58.25 1u9i s SER 264 Cb -0.03 -2.49 -0.16 0.00 -1.71 0.00 0.00 66.02 61.63 1u9i s SER 264 CO 0.06 -0.95 0.75 -1.54 1.20 0.00 0.00 173.24 172.75 1u9i n SER 265 N -2.57 0.47 0.00 5.45 3.41 -1.26 -4.78 113.62 114.34 1u9i n SER 265 Ca 0.07 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1u9i n SER 265 Cb 0.54 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1u9i n SER 265 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u9i n GLY 266 N 1.27 0.62 2.92 5.00 0.00 -1.24 -2.84 105.19 110.92 1u9i n GLY 266 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 1.30 0.10 1.61 1.01 -1.26 -4.91 120.40 116.24 1u9i s VAL 267 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1u9i s VAL 267 Cb 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.83 1u9i s VAL 267 CO 0.00 0.12 1.67 0.58 0.00 0.00 0.00 175.10 177.47 1u9i h VAL 268 N 6.40 1.12 -0.98 2.92 2.07 -1.96 -1.87 116.25 123.96 1u9i h VAL 268 Ca -0.25 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1u9i h VAL 268 Cb 1.10 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1u9i h VAL 268 CO 0.43 0.11 0.64 -0.09 0.02 0.00 0.00 177.57 178.67 1u9i h ARG 269 N 0.14 1.15 0.42 1.57 9.65 -1.96 -1.41 114.38 123.95 1u9i h ARG 269 Ca 0.06 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1u9i h ARG 269 Cb 0.10 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1u9i h ARG 269 CO -0.01 0.76 -0.26 1.25 2.80 0.00 0.00 179.97 184.51 1u9i h LEU 270 N 1.18 -0.65 -1.11 3.80 6.46 -1.92 -1.56 115.31 121.51 1u9i h LEU 270 Ca 0.41 0.04 0.28 0.00 -0.12 0.00 0.00 57.88 58.49 1u9i h LEU 270 Cb 0.10 0.19 -0.12 0.00 -0.73 0.00 0.00 40.66 40.10 1u9i h LEU 270 CO -0.14 -0.41 0.62 0.44 -0.62 0.00 0.00 178.44 178.33 1u9i h ASP 271 N -0.65 0.56 -0.02 1.25 3.32 -0.61 0.12 116.42 120.39 1u9i h ASP 271 Ca -0.05 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1u9i h ASP 271 Cb 0.54 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1u9i h ASP 271 CO 0.04 0.02 0.00 -0.33 -1.72 0.00 0.00 179.24 177.26 1u9i h GLU 272 N 0.45 0.03 -0.06 3.56 5.08 -0.55 0.47 114.58 123.55 1u9i h GLU 272 Ca 0.67 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 59.04 1u9i h GLU 272 Cb 1.48 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1u9i h GLU 272 CO -0.46 0.29 0.05 0.52 -1.00 0.00 0.00 179.01 178.41 1u9i h MET 273 N -0.24 0.00 -0.30 2.33 2.86 0.10 0.15 114.93 119.83 1u9i h MET 273 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1u9i h MET 273 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1u9i h MET 273 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1u9i n GLY 275 N 1.02 0.13 0.00 0.00 0.00 0.53 -4.13 105.19 102.73 1u9i n GLY 275 Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.10 1.85 0.00 -0.02 0.00 0.13 -4.89 105.19 101.16 1u9i n GLY 276 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.14 1.10 3.79 -0.02 0.00 0.82 -4.58 105.19 106.16 1u9i n GLY 277 Ca 0.00 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.00 2.80 0.33 1.61 2.99 0.38 -4.66 117.98 119.42 1u9i s PHE 278 Ca 0.00 1.52 -0.21 0.00 0.00 0.00 0.00 56.93 58.23 1u9i s PHE 278 Cb 0.00 -3.04 -0.10 0.00 0.00 0.00 0.00 43.02 39.88 1u9i s PHE 278 CO 0.00 -1.48 0.86 -0.06 -0.00 0.00 0.00 175.22 174.54 1u9i s PHE 279 N -2.63 3.53 0.13 0.36 2.99 -1.26 1.00 117.98 122.09 1u9i s PHE 279 Ca 0.63 1.55 -0.16 0.00 0.00 0.00 0.00 56.93 58.95 1u9i s PHE 279 Cb -0.17 -2.77 -0.01 0.00 0.00 0.00 0.00 43.02 40.07 1u9i s PHE 279 CO 0.46 0.13 1.70 -0.22 -0.00 0.00 0.00 175.22 177.29 1u9i h LYS 280 N 2.73 0.56 -4.54 0.44 3.64 -0.99 -3.26 116.57 115.15 1u9i h LYS 280 Ca -0.48 -0.09 -0.75 0.00 -1.27 0.00 0.00 60.65 58.06 1u9i h LYS 280 Cb 1.19 -0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 32.71 1u9i h LYS 280 CO 0.64 0.51 1.20 -0.51 -2.27 0.00 0.00 179.45 179.02 1u9i s ASP 281 N -5.79 7.12 0.09 4.20 1.01 -1.26 -3.54 116.67 118.50 1u9i s ASP 281 Ca -0.13 -3.11 -0.25 0.00 0.71 0.00 0.00 52.55 49.77 1u9i s ASP 281 Cb 0.10 -2.37 0.08 0.00 1.01 0.00 0.00 42.92 41.74 1u9i s ASP 281 CO 0.74 -0.66 0.73 -0.94 0.21 0.00 0.00 175.17 175.26 1u9i s SER 282 N 2.56 -0.46 -0.19 0.27 1.04 -1.23 -4.76 113.70 110.92 1u9i s SER 282 Ca 0.41 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1u9i s SER 282 Cb -0.04 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1u9i s SER 282 CO -0.01 -0.83 -0.17 -0.63 0.98 0.00 0.00 173.24 172.58 1u9i s ILE 283 N -3.48 2.32 -0.01 -1.02 -1.09 -1.26 -2.89 121.20 113.78 1u9i s ILE 283 Ca 0.03 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1u9i s ILE 283 Cb -0.01 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1u9i s ILE 283 CO -0.10 0.50 0.00 -0.63 -1.23 0.00 0.00 174.94 173.48 1u9i s ILE 284 N 1.32 4.17 -0.10 2.92 1.09 0.02 -1.58 121.20 129.04 1u9i s ILE 284 Ca 0.05 -0.57 0.02 0.00 -1.10 0.00 0.00 60.65 59.05 1u9i s ILE 284 Cb -0.13 -2.85 0.01 0.00 -1.06 0.00 0.00 42.46 38.43 1u9i s ILE 284 CO -0.11 0.40 -0.14 -0.22 -0.10 0.00 0.00 174.94 174.77 1u9i s LEU 285 N -1.50 1.67 -0.32 2.97 2.96 0.05 0.08 118.68 124.60 1u9i s LEU 285 Ca 0.19 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1u9i s LEU 285 Cb -0.11 -1.02 0.03 0.00 0.50 0.00 0.00 46.19 45.59 1u9i s LEU 285 CO 0.10 0.01 0.08 0.00 -1.32 0.00 0.00 176.35 175.22 1u9i s ALA 286 N 0.95 3.00 0.16 5.97 0.00 0.65 -0.24 121.76 132.24 1u9i s ALA 286 Ca -0.08 -1.67 0.07 0.00 0.00 0.00 0.00 51.96 50.28 1u9i s ALA 286 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1u9i s ALA 286 CO -0.00 -1.21 -0.01 0.99 0.00 0.00 0.00 175.76 175.52 1u9i s THR 287 N 1.40 3.71 0.00 0.00 2.01 -0.45 -1.08 115.64 121.23 1u9i s THR 287 Ca -0.01 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1u9i s THR 287 Cb -0.19 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1u9i s THR 287 CO 0.02 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1u9i n GLY 288 N 0.01 1.97 3.72 4.40 0.00 -0.84 -0.21 105.19 114.24 1u9i n GLY 288 Ca -0.10 -1.03 -0.29 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 s ALA 289 N -2.00 1.32 0.51 4.61 0.00 -1.26 -1.74 121.76 123.20 1u9i s ALA 289 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 1u9i s ALA 289 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 1u9i s ALA 289 CO 0.00 -2.56 1.26 -0.08 0.00 0.00 0.00 175.76 174.39 1u9i s THR 290 N -3.04 2.56 0.00 0.00 -1.32 -1.26 -2.52 115.64 110.07 1u9i s THR 290 Ca 0.64 0.42 0.00 0.00 -1.21 0.00 0.00 61.69 61.54 1u9i s THR 290 Cb -0.17 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.61 1u9i s THR 290 CO 0.56 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 1u9i n GLY 291 N 0.59 3.13 0.24 6.08 0.00 -1.26 -4.89 105.19 109.09 1u9i n GLY 291 Ca 0.09 0.00 0.08 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 0.99 0.00 2.61 1.35 -1.85 -3.47 112.91 112.55 1u9i h THR 292 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1u9i h THR 292 Cb 0.00 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1u9i h THR 292 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1u9i n GLY 293 N -1.18 1.90 0.09 5.82 0.00 -1.26 -4.94 105.19 105.63 1u9i n GLY 293 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.19 -0.64 1.61 6.56 -1.90 -2.44 116.57 119.95 1u9i h LYS 294 Ca 0.00 -0.06 0.19 0.00 -1.06 0.00 0.00 60.65 59.72 1u9i h LYS 294 Cb 0.00 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 1u9i h LYS 294 CO 0.00 0.42 0.49 1.15 -2.06 0.00 0.00 179.45 179.45 1u9i h THR 295 N -0.07 0.60 0.10 -0.16 2.02 -1.97 -0.52 112.91 112.92 1u9i h THR 295 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1u9i h THR 295 Cb 0.33 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1u9i h THR 295 CO 0.00 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.09 1u9i h LEU 296 N 0.00 -0.12 -1.68 2.58 5.85 -1.88 -2.82 115.31 117.25 1u9i h LEU 296 Ca 0.31 -0.46 0.18 0.00 0.84 0.00 0.00 57.88 58.74 1u9i h LEU 296 Cb 1.28 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1u9i h LEU 296 CO -0.00 0.48 0.52 -0.07 -0.34 0.00 0.00 178.44 179.03 1u9i h LEU 297 N -0.80 0.29 -0.32 2.25 3.38 -0.70 -0.52 115.31 118.91 1u9i h LEU 297 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1u9i h LEU 297 Cb 0.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1u9i h LEU 297 CO 0.02 0.14 0.00 0.58 0.09 0.00 0.00 178.44 179.27 1u9i h VAL 298 N 0.30 1.26 0.12 1.22 2.07 -1.17 -1.50 116.25 118.54 1u9i h VAL 298 Ca 0.38 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1u9i h VAL 298 Cb 1.05 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1u9i h VAL 298 CO -0.10 0.31 -0.06 0.28 0.02 0.00 0.00 177.57 178.02 1u9i h SER 299 N 0.36 -0.14 0.04 0.57 0.02 -0.87 -0.45 113.55 113.08 1u9i h SER 299 Ca 0.09 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1u9i h SER 299 Cb 0.43 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1u9i h SER 299 CO 0.02 -0.04 -0.01 -0.09 -1.14 0.00 0.00 176.83 175.57 1u9i h ARG 300 N -0.22 0.00 0.14 3.45 9.65 -1.24 0.24 114.38 126.40 1u9i h ARG 300 Ca -0.02 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.68 1u9i h ARG 300 Cb 0.18 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1u9i h ARG 300 CO 0.03 0.01 -0.83 0.35 2.80 0.00 0.00 179.97 182.32 1u9i h PHE 301 N 0.00 0.54 -0.02 2.20 3.57 -0.67 -3.06 116.94 119.50 1u9i h PHE 301 Ca -0.00 -0.39 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 1u9i h PHE 301 Cb 0.03 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1u9i h PHE 301 CO 0.00 1.32 0.01 0.28 -2.23 0.00 0.00 178.31 177.69 1u9i h VAL 302 N -0.38 1.12 -0.79 1.41 2.07 -0.04 -3.10 116.25 116.54 1u9i h VAL 302 Ca -0.15 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1u9i h VAL 302 Cb 1.64 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1u9i h VAL 302 CO 0.15 0.09 0.49 -0.08 0.02 0.00 0.00 177.57 178.24 1u9i h GLU 303 N -0.11 0.91 -0.01 1.57 4.81 -1.13 -1.77 114.58 118.85 1u9i h GLU 303 Ca 0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1u9i h GLU 303 Cb 0.14 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1u9i h GLU 303 CO -0.00 0.60 0.02 -0.97 -0.73 0.00 0.00 179.01 177.94 1u9i h ASN 304 N 0.94 0.00 1.11 1.04 -0.73 -1.46 -0.31 115.58 116.17 1u9i h ASN 304 Ca 0.33 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.32 1u9i h ASN 304 Cb 0.08 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1u9i h ASN 304 CO -0.14 0.00 -0.91 0.00 -0.37 0.00 0.00 177.43 176.01 1u9i h ALA 305 N 1.96 0.52 0.00 1.57 0.00 -1.30 -3.24 119.26 118.76 1u9i h ALA 305 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 54.91 53.90 1u9i h ALA 305 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1u9i h ALA 305 CO -0.00 1.04 -1.31 0.00 0.00 0.00 0.00 179.25 178.98 1u9i h ALA 307 N 1.15 1.00 -0.20 0.00 0.00 -1.20 -0.04 119.26 119.97 1u9i h ALA 307 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1u9i h ALA 307 Cb 1.78 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 1u9i h ALA 307 CO 0.08 0.00 -0.10 0.09 0.00 0.00 0.00 179.25 179.33 1u9i n ASN 308 N -2.62 2.75 -3.96 0.00 3.02 -1.22 -4.99 115.26 108.23 1u9i n ASN 308 Ca 0.01 -3.43 -0.40 0.00 -0.03 0.00 0.00 54.58 50.72 1u9i n ASN 308 Cb 0.22 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.02 -0.60 -4.23 3.52 5.02 -0.03 -4.99 118.16 115.84 1u9i n LYS 309 Ca 0.24 0.26 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 1u9i n LYS 309 Cb 0.86 -2.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.04 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 -6.75 0.76 0.04 1.97 2.02 0.19 -4.99 118.70 111.93 1u9i s GLU 310 Ca 0.40 -0.74 -0.24 0.00 0.02 0.00 0.00 54.97 54.41 1u9i s GLU 310 Cb -0.21 -0.71 -0.05 0.00 0.10 0.00 0.00 34.13 33.26 1u9i s GLU 310 CO 0.94 0.17 0.73 1.03 0.02 0.00 0.00 175.26 178.15 1u9i s ARG 311 N -1.26 4.46 0.01 1.61 0.52 -1.25 -3.71 118.95 119.33 1u9i s ARG 311 Ca -0.02 0.99 0.01 0.00 -0.52 0.00 0.00 55.73 56.20 1u9i s ARG 311 Cb -0.08 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 1u9i s ARG 311 CO 0.01 0.31 -0.05 0.00 0.02 0.00 0.00 175.30 175.59 1u9i s ALA 312 N -0.11 0.38 -0.11 2.13 0.00 0.75 0.16 121.76 124.96 1u9i s ALA 312 Ca 0.37 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1u9i s ALA 312 Cb -0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1u9i s ALA 312 CO 0.22 0.04 -0.13 0.42 0.00 0.00 0.00 175.76 176.30 1u9i s ILE 313 N -0.55 3.06 -0.37 0.00 1.01 -0.75 -1.37 121.20 122.24 1u9i s ILE 313 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1u9i s ILE 313 Cb -0.05 -2.26 0.08 0.00 0.01 0.00 0.00 42.46 40.25 1u9i s ILE 313 CO -0.00 0.54 0.13 -0.22 0.00 0.00 0.00 174.94 175.39 1u9i s LEU 314 N 0.09 4.75 -0.59 2.97 2.96 -0.41 -1.47 118.68 126.98 1u9i s LEU 314 Ca -0.06 -1.71 -0.22 0.00 -0.22 0.00 0.00 54.13 51.92 1u9i s LEU 314 Cb -0.15 -1.80 0.06 0.00 0.50 0.00 0.00 46.19 44.81 1u9i s LEU 314 CO 0.04 -0.44 0.87 -0.36 -1.32 0.00 0.00 176.35 175.15 1u9i s PHE 315 N 1.20 2.81 -0.23 5.38 0.40 0.02 -1.77 117.98 125.79 1u9i s PHE 315 Ca 0.03 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 1u9i s PHE 315 Cb -0.21 -4.05 -0.05 0.00 0.51 0.00 0.00 43.02 39.21 1u9i s PHE 315 CO -0.03 -1.41 0.16 0.00 0.70 0.00 0.00 175.22 174.64 1u9i s ALA 316 N 3.62 3.63 -0.18 5.36 0.00 -1.26 -1.19 121.76 131.74 1u9i s ALA 316 Ca 0.22 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1u9i s ALA 316 Cb -0.17 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 20.73 1u9i s ALA 316 CO 0.13 -0.12 1.06 0.66 0.00 0.00 0.00 175.76 177.49 1u9i n TYR 317 N 4.12 0.10 0.00 0.00 4.02 -1.23 -1.80 117.16 122.36 1u9i n TYR 317 Ca -0.15 -0.52 0.00 0.00 -0.01 0.00 0.00 57.90 57.21 1u9i n TYR 317 Cb 0.52 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 -0.35 0.71 -4.14 -0.72 1.02 -1.26 -4.56 120.64 111.34 1u9i n GLU 318 Ca 0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1u9i n GLU 318 Cb 0.31 -0.84 -0.08 0.00 -0.02 0.00 0.00 31.44 30.80 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 -1.69 2.53 0.86 3.49 2.02 -1.26 -5.12 118.70 119.53 1u9i s GLU 319 Ca 0.00 -0.92 -0.12 0.00 0.02 0.00 0.00 54.97 53.95 1u9i s GLU 319 Cb 0.00 -2.50 0.11 0.00 0.10 0.00 0.00 34.13 31.84 1u9i s GLU 319 CO 0.00 0.51 1.12 -1.54 0.02 0.00 0.00 175.26 175.37 1u9i s SER 320 N -2.55 3.97 0.19 -0.19 1.04 -1.26 -4.84 113.70 110.06 1u9i s SER 320 Ca 0.27 1.09 -0.11 0.00 0.48 0.00 0.00 55.95 57.68 1u9i s SER 320 Cb -0.11 -1.73 0.11 0.00 0.10 0.00 0.00 66.02 64.39 1u9i s SER 320 CO 0.19 -2.27 1.80 0.03 0.98 0.00 0.00 173.24 173.96 1u9i h ARG 321 N -1.30 0.94 -0.12 4.02 3.08 -1.97 -1.82 114.38 117.22 1u9i h ARG 321 Ca -0.49 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 1u9i h ARG 321 Cb 1.31 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1u9i h ARG 321 CO 0.61 0.72 0.01 0.00 -1.07 0.00 0.00 179.97 180.25 1u9i h ALA 322 N 1.17 0.16 -0.15 0.04 0.00 -2.00 -3.07 119.26 115.40 1u9i h ALA 322 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1u9i h ALA 322 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1u9i h ALA 322 CO -0.04 -0.17 0.08 0.37 0.00 0.00 0.00 179.25 179.49 1u9i h GLN 323 N -0.04 0.17 -1.00 0.00 4.15 -1.90 -1.40 115.11 115.09 1u9i h GLN 323 Ca 0.04 -0.01 0.24 0.00 0.77 0.00 0.00 58.65 59.69 1u9i h GLN 323 Cb 0.31 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.88 1u9i h GLN 323 CO 0.00 0.11 0.65 -0.07 -1.93 0.00 0.00 178.83 177.60 1u9i h LEU 324 N 0.17 0.43 -0.10 -2.39 3.38 -1.35 -0.22 115.31 115.23 1u9i h LEU 324 Ca 0.06 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1u9i h LEU 324 Cb 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1u9i h LEU 324 CO -0.03 0.12 -0.49 -0.07 0.09 0.00 0.00 178.44 178.06 1u9i h LEU 325 N 0.40 0.60 0.09 1.67 3.38 -1.25 -1.66 115.31 118.54 1u9i h LEU 325 Ca 0.55 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1u9i h LEU 325 Cb 1.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1u9i h LEU 325 CO -0.24 1.15 -0.04 -0.09 0.09 0.00 0.00 178.44 179.30 1u9i h ARG 326 N 0.10 -0.12 -0.14 1.13 2.43 -0.07 -1.05 114.38 116.67 1u9i h ARG 326 Ca -0.03 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1u9i h ARG 326 Cb 1.13 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1u9i h ARG 326 CO 0.10 0.00 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.42 1u9i h ASN 327 N -0.21 0.24 -0.29 -3.80 2.35 -1.25 -1.92 115.58 110.68 1u9i h ASN 327 Ca -0.01 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1u9i h ASN 327 Cb 0.18 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1u9i h ASN 327 CO 0.02 0.48 -0.34 0.00 -1.65 0.00 0.00 177.43 175.94 1u9i h ALA 328 N 1.54 0.44 -0.63 -0.83 0.00 -1.14 -2.79 119.26 115.85 1u9i h ALA 328 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1u9i h ALA 328 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1u9i h ALA 328 CO 0.04 0.49 0.10 -0.92 0.00 0.00 0.00 179.25 178.96 1u9i h TYR 329 N 0.50 1.11 0.00 0.00 3.20 -1.02 -1.91 116.97 118.85 1u9i h TYR 329 Ca 0.04 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1u9i h TYR 329 Cb 0.92 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1u9i h TYR 329 CO 0.07 0.95 0.00 0.43 -1.64 0.00 0.00 178.16 177.97 1u9i n SER 330 N -4.26 0.51 -1.18 -2.11 7.64 -0.74 0.14 113.62 113.63 1u9i n SER 330 Ca 0.04 0.67 0.09 0.00 1.01 0.00 0.00 58.87 60.67 1u9i n SER 330 Cb 0.29 -0.76 0.28 0.00 -1.01 0.00 0.00 64.21 63.00 1u9i n SER 330 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1u9i n TRP 331 N -2.12 1.04 0.00 1.43 8.01 -0.74 -4.38 117.44 120.68 1u9i n TRP 331 Ca 0.01 -0.60 0.00 0.00 -1.31 0.00 0.00 57.50 55.59 1u9i n TRP 331 Cb 0.14 -0.16 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 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 0.78 1.18 0.00 6.99 0.00 0.12 -4.17 105.19 110.09 1u9i n GLY 332 Ca 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.40 0.00 -3.16 1.61 0.00 -1.25 -3.76 117.12 110.96 1u9i n MET 333 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 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 6.31 0.30 3.17 -1.08 -1.26 -3.49 116.67 120.61 1u9i s ASP 334 Ca 0.00 -0.32 0.15 0.00 -0.52 0.00 0.00 52.55 51.86 1u9i s ASP 334 Cb 0.00 -2.30 0.32 0.00 -1.46 0.00 0.00 42.92 39.48 1u9i s ASP 334 CO 0.00 -0.70 1.56 -0.26 0.52 0.00 0.00 175.17 176.29 1u9i h PHE 335 N 8.78 0.00 0.09 -5.34 0.05 -1.89 -3.25 116.94 115.38 1u9i h PHE 335 Ca -0.26 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.55 1u9i h PHE 335 Cb 1.10 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.00 1u9i h PHE 335 CO 0.71 0.54 -0.45 0.93 -0.18 0.00 0.00 178.31 179.86 1u9i h GLU 336 N 0.00 -0.64 -0.62 1.51 4.39 -1.95 -2.37 114.58 114.91 1u9i h GLU 336 Ca -0.01 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.78 1u9i h GLU 336 Cb 1.20 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.95 1u9i h GLU 336 CO 0.07 -0.43 0.36 1.49 -1.16 0.00 0.00 179.01 179.34 1u9i h GLU 337 N -0.67 0.66 -0.84 2.33 4.57 -2.00 -2.04 114.58 116.59 1u9i h GLU 337 Ca 0.02 -0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.37 1u9i h GLU 337 Cb 0.70 -0.15 -0.13 0.00 -0.16 0.00 0.00 28.75 29.01 1u9i h GLU 337 CO -0.27 0.44 0.21 0.52 -1.18 0.00 0.00 179.01 178.72 1u9i h MET 338 N 0.68 0.22 -0.09 1.92 2.86 -1.47 -0.64 114.93 118.40 1u9i h MET 338 Ca 0.26 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1u9i h MET 338 Cb 0.10 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1u9i h MET 338 CO -0.14 0.14 -0.10 0.93 1.06 0.00 0.00 176.91 178.81 1u9i h GLU 339 N 0.22 0.22 -0.09 1.72 5.08 -0.92 -2.49 114.58 118.32 1u9i h GLU 339 Ca 0.51 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.78 1u9i h GLU 339 Cb 0.98 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1u9i h GLU 339 CO -0.62 0.66 -0.11 0.00 -1.00 0.00 0.00 179.01 177.94 1u9i h ARG 340 N -0.21 -0.14 0.00 2.33 3.08 -1.01 0.36 114.38 118.80 1u9i h ARG 340 Ca 0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1u9i h ARG 340 Cb 0.62 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1u9i h ARG 340 CO 0.02 -0.09 0.00 1.04 -1.07 0.00 0.00 179.97 179.87 1u9i n GLN 341 N -5.25 0.06 -3.77 0.04 6.02 -0.33 -4.81 117.38 109.35 1u9i n GLN 341 Ca -0.04 0.12 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 1u9i n GLN 341 Cb 0.17 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.13 -5.15 -0.01 1.08 4.13 0.12 -4.86 115.26 109.44 1u9i n ASN 342 Ca 0.02 -0.68 0.05 0.00 1.68 0.00 0.00 54.58 55.65 1u9i n ASN 342 Cb 0.01 -4.10 -0.08 0.00 -1.54 0.00 0.00 39.78 34.07 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 -4.64 0.00 -4.03 3.41 4.77 -1.01 -4.89 117.00 110.61 1u9i n LEU 343 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.78 1u9i n LEU 343 Cb 0.54 0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.48 1u9i n LEU 343 CO 0.70 0.01 -0.46 -0.22 -1.33 0.00 0.00 177.39 176.09 1u9i s LEU 344 N -3.76 1.74 -0.12 2.23 1.98 -0.97 -0.18 118.68 119.60 1u9i s LEU 344 Ca -0.04 -0.25 -0.00 0.00 -2.89 0.00 0.00 54.13 50.95 1u9i s LEU 344 Cb 0.06 -0.72 0.02 0.00 0.66 0.00 0.00 46.19 46.22 1u9i s LEU 344 CO 0.43 0.07 -0.09 -0.75 -1.89 0.00 0.00 176.35 174.12 1u9i s LYS 345 N 0.34 1.70 -0.19 1.98 2.20 -0.47 -4.10 119.74 121.19 1u9i s LYS 345 Ca -0.07 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.12 1u9i s LYS 345 Cb -0.12 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 1u9i s LYS 345 CO 0.02 -0.27 0.10 0.42 -0.36 0.00 0.00 175.35 175.26 1u9i s ILE 346 N 1.66 5.07 0.00 5.43 1.01 -1.26 -1.28 121.20 131.82 1u9i s ILE 346 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1u9i s ILE 346 Cb -0.13 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1u9i s ILE 346 CO -0.09 0.44 0.00 0.52 0.00 0.00 0.00 174.94 175.81 1u9i n VAL 347 N 3.60 0.00 -0.78 2.92 0.31 -0.73 -4.98 118.33 118.68 1u9i n VAL 347 Ca -0.16 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1u9i n VAL 347 Cb 0.52 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.10 0.00 -1.76 0.00 0.00 -0.75 -4.95 120.51 113.15 1u9i n ALA 349 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 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 -1.38 3.38 0.55 0.00 1.51 -1.26 -4.35 117.35 115.81 1u9i s TYR 350 Ca 0.00 1.60 0.32 0.00 -1.01 0.00 0.00 57.07 57.98 1u9i s TYR 350 Cb 0.00 -3.42 1.84 0.00 -0.11 0.00 0.00 41.96 40.27 1u9i s TYR 350 CO 0.00 -1.02 2.23 -1.35 -1.11 0.00 0.00 175.55 174.30 1u9i h PRO 351 N 3.62 0.00 0.00 -1.71 0.11 -1.87 -1.02 132.00 131.13 1u9i h PRO 351 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.66 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.87 1u9i n GLU 352 N -3.64 0.07 0.01 1.05 4.71 -1.26 -3.48 120.64 118.10 1u9i n GLU 352 Ca -0.03 0.06 0.08 0.00 -0.01 0.00 0.00 57.16 57.26 1u9i n GLU 352 Cb 0.12 -1.58 0.37 0.00 -1.01 0.00 0.00 31.44 29.34 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 -1.69 0.06 -3.57 1.62 3.41 -0.39 -4.87 113.62 108.19 1u9i n SER 353 Ca 0.07 0.51 -0.04 0.00 -0.26 0.00 0.00 58.87 59.15 1u9i n SER 353 Cb 0.36 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 -3.02 -1.57 0.50 7.33 0.00 -1.23 -5.08 121.76 118.70 1u9i s ALA 354 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 1u9i s ALA 354 Cb 0.11 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1u9i s ALA 354 CO 0.31 -1.05 0.77 0.20 0.00 0.00 0.00 175.76 175.99 1u9i s GLY 355 N -3.10 1.57 0.19 0.00 0.00 -1.26 -4.92 107.32 99.80 1u9i s GLY 355 Ca 0.16 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.88 1u9i s GLY 355 CO 0.04 -0.66 1.70 1.41 0.00 0.00 0.00 173.10 175.59 1u9i h LEU 356 N 0.17 -0.11 -0.47 0.66 4.07 -1.94 -2.09 115.31 115.60 1u9i h LEU 356 Ca -0.46 0.11 0.09 0.00 0.08 0.00 0.00 57.88 57.70 1u9i h LEU 356 Cb 1.25 0.17 -0.10 0.00 1.08 0.00 0.00 40.66 43.06 1u9i h LEU 356 CO 0.59 -0.03 -0.27 1.05 -1.08 0.00 0.00 178.44 178.70 1u9i h GLU 357 N 0.17 -0.16 0.12 1.13 4.11 -1.97 0.19 114.58 118.17 1u9i h GLU 357 Ca 0.25 0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.71 1u9i h GLU 357 Cb 0.37 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1u9i h GLU 357 CO -0.38 -0.11 -0.18 -0.44 0.07 0.00 0.00 179.01 177.98 1u9i h ASP 358 N -0.17 -0.49 -0.44 3.06 3.32 -1.81 -2.14 116.42 117.75 1u9i h ASP 358 Ca 0.21 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.40 1u9i h ASP 358 Cb 0.51 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.16 1u9i h ASP 358 CO -0.57 -0.26 -0.07 0.45 -1.72 0.00 0.00 179.24 177.07 1u9i h HIS 359 N -0.36 -0.15 -0.61 4.55 3.86 -0.70 0.10 115.15 121.84 1u9i h HIS 359 Ca 0.02 0.04 0.12 0.00 -1.16 0.00 0.00 60.37 59.38 1u9i h HIS 359 Cb 0.37 0.14 -0.09 0.00 1.06 0.00 0.00 27.41 28.88 1u9i h HIS 359 CO -0.17 -0.15 0.13 1.25 0.86 0.00 0.00 177.93 179.84 1u9i h LEU 360 N 0.04 -0.01 -0.02 2.43 6.46 -0.30 0.46 115.31 124.38 1u9i h LEU 360 Ca 0.21 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1u9i h LEU 360 Cb 0.32 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1u9i h LEU 360 CO -0.42 0.00 0.00 -0.61 -0.62 0.00 0.00 178.44 176.80 1u9i h GLN 361 N 0.26 0.03 -0.66 1.25 4.15 -0.55 -1.81 115.11 117.77 1u9i h GLN 361 Ca 0.32 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.82 1u9i h GLN 361 Cb 0.49 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1u9i h GLN 361 CO -0.42 0.26 0.44 0.82 -1.93 0.00 0.00 178.83 178.00 1u9i h ILE 362 N -0.20 0.95 -0.23 2.39 5.03 -0.09 0.14 117.51 125.50 1u9i h ILE 362 Ca 0.01 -0.20 -0.06 0.00 -0.12 0.00 0.00 64.86 64.49 1u9i h ILE 362 Cb 0.24 0.32 -0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1u9i h ILE 362 CO 0.00 0.11 -0.07 0.40 -0.68 0.00 0.00 178.15 177.91 1u9i h ILE 363 N 0.58 1.29 0.82 -0.67 1.08 -0.74 -2.06 117.51 117.82 1u9i h ILE 363 Ca 0.30 -1.09 -0.04 0.00 -0.39 0.00 0.00 64.86 63.64 1u9i h ILE 363 Cb 0.41 1.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1u9i h ILE 363 CO -0.10 0.34 -0.45 0.11 -0.69 0.00 0.00 178.15 177.36 1u9i h LYS 364 N 0.18 -1.13 -0.98 2.37 1.57 -0.22 -1.67 116.57 116.68 1u9i h LYS 364 Ca 0.06 0.08 0.14 0.00 -1.87 0.00 0.00 60.65 59.05 1u9i h LYS 364 Cb 0.54 0.26 -0.09 0.00 0.08 0.00 0.00 32.23 33.02 1u9i h LYS 364 CO 0.03 -0.76 0.61 0.66 -0.57 0.00 0.00 179.45 179.42 1u9i h SER 365 N -1.18 0.85 -0.63 0.86 4.64 -0.85 0.22 113.55 117.46 1u9i h SER 365 Ca -0.11 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1u9i h SER 365 Cb 0.93 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1u9i h SER 365 CO 0.15 0.41 0.37 -0.33 -0.87 0.00 0.00 176.83 176.56 1u9i h GLU 366 N 0.90 0.87 -0.22 4.77 5.08 -1.18 -0.62 114.58 124.19 1u9i h GLU 366 Ca 0.51 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1u9i h GLU 366 Cb 0.60 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1u9i h GLU 366 CO -0.30 0.63 -0.43 0.82 -1.00 0.00 0.00 179.01 178.72 1u9i h ILE 367 N 0.89 1.31 -0.09 3.13 2.04 0.34 -2.87 117.51 122.25 1u9i h ILE 367 Ca 0.23 -1.62 -0.24 0.00 1.00 0.00 0.00 64.86 64.24 1u9i h ILE 367 Cb -0.01 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1u9i h ILE 367 CO -0.04 0.51 -0.87 0.78 0.00 0.00 0.00 178.15 178.53 1u9i h ASN 368 N 0.43 0.89 -0.00 1.72 2.35 -0.43 -1.66 115.58 118.87 1u9i h ASN 368 Ca 0.03 -0.63 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 1u9i h ASN 368 Cb 0.93 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1u9i h ASN 368 CO 0.08 1.43 0.00 0.47 -1.65 0.00 0.00 177.43 177.76 1u9i n ASP 369 N -3.89 0.08 0.00 5.81 8.00 -0.31 -3.89 116.55 122.35 1u9i n ASP 369 Ca -0.08 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1u9i n ASP 369 Cb 0.79 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 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 -0.91 0.00 -4.01 1.24 7.35 -1.09 -5.05 117.46 115.00 1u9i n PHE 370 Ca 0.23 -0.01 -0.27 0.00 -0.76 0.00 0.00 57.45 56.63 1u9i n PHE 370 Cb 0.12 -0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.88 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 -0.01 -0.88 -1.31 -4.13 -0.00 -0.63 -4.88 118.16 106.32 1u9i n LYS 371 Ca 0.00 0.06 -0.35 0.00 -0.00 0.00 0.00 58.31 58.02 1u9i n LYS 371 Cb 0.22 -2.82 0.11 0.00 -0.00 0.00 0.00 35.03 32.54 1u9i n LYS 371 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1u9i n PRO 372 N -4.01 0.49 -0.09 -1.58 -0.02 -1.25 -4.74 135.00 123.79 1u9i n PRO 372 Ca -0.25 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 1u9i n PRO 372 Cb 0.56 -2.43 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 1u9i n PRO 372 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u9i n ALA 373 N -2.80 1.58 -2.61 3.55 0.00 0.43 -4.86 120.51 115.79 1u9i n ALA 373 Ca 0.14 -0.97 -0.21 0.00 0.00 0.00 0.00 53.44 52.40 1u9i n ALA 373 Cb 0.50 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.40 1.04 -0.00 0.00 0.52 -1.14 -1.97 118.95 114.99 1u9i s ARG 374 Ca -0.19 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1u9i s ARG 374 Cb 0.06 -1.09 -0.00 0.00 0.52 0.00 0.00 34.95 34.44 1u9i s ARG 374 CO 0.56 0.27 -0.03 0.42 0.02 0.00 0.00 175.30 176.54 1u9i s ILE 375 N -0.92 0.22 -0.03 1.52 1.01 0.32 -1.81 121.20 121.51 1u9i s ILE 375 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1u9i s ILE 375 Cb -0.08 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.21 1u9i s ILE 375 CO 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 174.94 175.02 1u9i s ALA 376 N -0.00 0.39 -0.39 9.38 0.00 -0.54 0.10 121.76 130.70 1u9i s ALA 376 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 1u9i s ALA 376 Cb -0.02 -0.37 0.09 0.00 0.00 0.00 0.00 23.12 22.82 1u9i s ALA 376 CO -0.00 -0.10 0.18 0.42 0.00 0.00 0.00 175.76 176.26 1u9i s ILE 377 N 1.09 3.53 -0.52 0.00 1.09 -0.44 -0.80 121.20 125.15 1u9i s ILE 377 Ca -0.09 -1.70 -0.28 0.00 -1.10 0.00 0.00 60.65 57.49 1u9i s ILE 377 Cb -0.14 -3.25 -0.00 0.00 -1.06 0.00 0.00 42.46 38.01 1u9i s ILE 377 CO -0.02 -0.51 1.58 -0.62 -0.10 0.00 0.00 174.94 175.28 1u9i s ASP 378 N 1.80 5.91 -0.03 3.58 -1.08 -0.33 -1.97 116.67 124.55 1u9i s ASP 378 Ca 0.04 0.53 -0.01 0.00 -0.52 0.00 0.00 52.55 52.59 1u9i s ASP 378 Cb -0.22 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 1u9i s ASP 378 CO -0.01 -1.83 0.01 -0.24 0.52 0.00 0.00 175.17 173.61 1u9i n SER 379 N 10.35 -2.32 0.09 -0.34 2.88 -1.19 -3.57 113.62 119.52 1u9i n SER 379 Ca 0.16 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.80 1u9i n SER 379 Cb 0.49 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 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 0.44 0.24 -2.40 2.46 3.38 -0.45 -2.74 115.31 116.24 1u9i h LEU 380 Ca -0.03 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1u9i h LEU 380 Cb 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1u9i h LEU 380 CO 0.01 0.98 0.18 0.77 0.09 0.00 0.00 178.44 180.47 1u9i h SER 381 N 0.11 0.00 0.52 -0.43 4.64 -1.93 0.27 113.55 116.73 1u9i h SER 381 Ca -0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 1u9i h SER 381 Cb 1.47 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.57 1u9i h SER 381 CO 0.13 0.00 -1.32 0.00 -0.87 0.00 0.00 176.83 174.77 1u9i h ALA 382 N 1.70 0.02 0.00 5.18 0.00 -1.82 -3.22 119.26 121.12 1u9i h ALA 382 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1u9i h ALA 382 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1u9i h ALA 382 CO -0.00 0.89 0.00 1.28 0.00 0.00 0.00 179.25 181.42 1u9i n LEU 383 N -3.59 0.05 -0.34 0.00 4.77 0.87 -2.76 117.00 116.01 1u9i n LEU 383 Ca -0.11 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1u9i n LEU 383 Cb 1.05 -0.50 0.58 0.00 -2.33 0.00 0.00 43.42 42.22 1u9i n LEU 383 CO 0.56 -0.14 0.88 0.00 -1.33 0.00 0.00 177.39 177.35 1u9i n ALA 384 N -1.52 2.68 -1.71 -1.18 0.00 -0.68 -4.79 120.51 113.31 1u9i n ALA 384 Ca 0.05 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1u9i n ALA 384 Cb 0.26 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.23 2.80 0.00 0.00 1.74 -1.11 -3.80 116.66 116.06 1u9i n ARG 385 Ca 0.18 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.28 1u9i n ARG 385 Cb 0.31 -2.88 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 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 4.09 1.35 2.65 -0.13 0.00 -1.26 -4.94 105.19 106.94 1u9i n GLY 386 Ca 0.17 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 0.05 -1.79 1.61 0.31 -1.25 -4.92 118.33 112.34 1u9i n VAL 387 Ca 0.00 -0.41 -0.32 0.00 -0.01 0.00 0.00 64.34 63.60 1u9i n VAL 387 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 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 -0.81 5.55 0.18 4.52 1.04 -1.26 -4.89 113.70 118.02 1u9i s SER 388 Ca 0.47 1.72 -0.13 0.00 0.48 0.00 0.00 55.95 58.49 1u9i s SER 388 Cb -0.42 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.27 1u9i s SER 388 CO 0.53 -1.33 1.79 -1.13 0.98 0.00 0.00 173.24 174.09 1u9i h ASN 389 N -0.16 0.74 -0.41 7.02 -0.73 -1.94 -0.88 115.58 119.22 1u9i h ASN 389 Ca -0.45 -0.09 -0.06 0.00 1.87 0.00 0.00 56.30 57.56 1u9i h ASN 389 Cb 1.22 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.59 1u9i h ASN 389 CO 0.57 0.62 0.04 0.78 -0.37 0.00 0.00 177.43 179.06 1u9i h ASN 390 N 0.81 0.73 -0.51 1.15 2.35 -1.98 0.16 115.58 118.29 1u9i h ASN 390 Ca 0.21 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1u9i h ASN 390 Cb 0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1u9i h ASN 390 CO -0.03 0.78 -0.13 0.00 -1.65 0.00 0.00 177.43 176.39 1u9i h ALA 391 N 1.31 0.77 0.40 -0.83 0.00 -1.88 -2.42 119.26 116.61 1u9i h ALA 391 Ca 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1u9i h ALA 391 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1u9i h ALA 391 CO 0.01 0.67 -0.19 0.35 0.00 0.00 0.00 179.25 180.09 1u9i h PHE 392 N 0.89 -0.50 -1.00 0.00 3.57 -0.41 -2.21 116.94 117.27 1u9i h PHE 392 Ca 0.13 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.81 1u9i h PHE 392 Cb 0.70 0.17 -0.11 0.00 2.79 0.00 0.00 35.95 39.50 1u9i h PHE 392 CO 0.05 -0.21 0.61 0.00 -2.23 0.00 0.00 178.31 176.53 1u9i h ARG 393 N -0.75 0.74 -0.50 1.11 3.08 -0.72 0.44 114.38 117.78 1u9i h ARG 393 Ca -0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1u9i h ARG 393 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1u9i h ARG 393 CO 0.09 0.49 0.28 0.37 -1.07 0.00 0.00 179.97 180.13 1u9i h GLN 394 N 0.76 0.67 -0.10 0.04 4.15 -1.22 0.14 115.11 119.55 1u9i h GLN 394 Ca 0.58 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.87 1u9i h GLN 394 Cb 0.91 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1u9i h GLN 394 CO -0.38 0.48 -0.22 0.35 -1.93 0.00 0.00 178.83 177.14 1u9i h PHE 395 N 0.68 0.42 0.05 3.99 3.57 0.42 -2.06 116.94 124.02 1u9i h PHE 395 Ca 0.18 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1u9i h PHE 395 Cb -0.00 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1u9i h PHE 395 CO 0.00 0.83 -0.10 0.28 -2.23 0.00 0.00 178.31 177.10 1u9i h VAL 396 N -0.12 0.77 -0.72 1.41 2.07 -0.46 0.08 116.25 119.29 1u9i h VAL 396 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1u9i h VAL 396 Cb 0.81 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1u9i h VAL 396 CO 0.05 0.00 0.47 0.40 0.02 0.00 0.00 177.57 178.51 1u9i h ILE 397 N -0.19 0.91 0.12 4.57 1.08 -0.79 0.13 117.51 123.35 1u9i h ILE 397 Ca 0.02 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1u9i h ILE 397 Cb 0.21 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1u9i h ILE 397 CO -0.06 0.11 -0.06 1.23 -0.69 0.00 0.00 178.15 178.68 1u9i h GLY 398 N 0.58 -0.17 1.56 5.37 0.00 -0.29 -0.47 103.07 109.65 1u9i h GLY 398 Ca 0.33 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1u9i h GLY 398 CO -0.11 -0.06 0.29 -2.08 0.00 0.00 0.00 176.54 174.57 1u9i h VAL 399 N -0.17 1.10 0.57 4.60 2.07 -1.02 -2.06 116.25 121.35 1u9i h VAL 399 Ca -0.02 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1u9i h VAL 399 Cb 0.13 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1u9i h VAL 399 CO 0.03 0.10 -0.27 0.74 0.02 0.00 0.00 177.57 178.19 1u9i h THR 400 N 0.57 0.37 -0.59 2.57 2.02 -0.74 -2.60 112.91 114.50 1u9i h THR 400 Ca 0.16 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1u9i h THR 400 Cb -0.05 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1u9i h THR 400 CO -0.04 0.04 0.15 1.23 0.37 0.00 0.00 175.52 177.27 1u9i h GLY 401 N -0.94 0.99 0.97 2.16 0.00 -0.98 -1.58 103.07 103.68 1u9i h GLY 401 Ca -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1u9i h GLY 401 CO 0.13 0.54 0.64 -1.82 0.00 0.00 0.00 176.54 176.03 1u9i h TYR 402 N 0.88 1.21 -0.16 5.60 3.20 -1.40 -0.87 116.97 125.43 1u9i h TYR 402 Ca 0.19 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1u9i h TYR 402 Cb 0.31 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1u9i h TYR 402 CO 0.02 0.74 -0.03 0.00 -1.64 0.00 0.00 178.16 177.24 1u9i h ALA 403 N 1.37 0.22 -0.00 1.82 0.00 -1.12 -2.49 119.26 119.05 1u9i h ALA 403 Ca 0.36 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1u9i h ALA 403 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1u9i h ALA 403 CO -0.09 -0.03 -0.13 0.87 0.00 0.00 0.00 179.25 179.87 1u9i h LYS 404 N 0.01 -0.21 0.00 0.00 1.57 -0.84 -1.42 116.57 115.68 1u9i h LYS 404 Ca 0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1u9i h LYS 404 Cb 0.46 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1u9i h LYS 404 CO 0.01 -0.14 0.00 0.00 -0.57 0.00 0.00 179.45 178.76 1u9i n GLN 405 N -5.26 0.05 -0.24 3.15 10.64 -0.37 -2.60 117.38 122.75 1u9i n GLN 405 Ca -0.05 0.29 0.11 0.00 -1.83 0.00 0.00 57.00 55.52 1u9i n GLN 405 Cb 0.18 -1.60 0.24 0.00 -0.86 0.00 0.00 30.24 28.20 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 -1.70 2.54 -1.48 2.61 4.07 -0.63 -4.86 120.64 121.18 1u9i n GLU 406 Ca 0.03 -2.35 -0.17 0.00 -0.06 0.00 0.00 57.16 54.62 1u9i n GLU 406 Cb 0.19 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 30.01 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 1.41 -1.18 -3.52 5.31 -0.58 -1.02 -4.97 120.64 116.09 1u9i n GLU 407 Ca 0.20 1.08 -0.38 0.00 -0.42 0.00 0.00 57.16 57.64 1u9i n GLU 407 Cb 0.58 -5.30 -0.09 0.00 -0.57 0.00 0.00 31.44 26.06 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 -2.60 5.27 0.05 -3.67 -1.09 -0.67 -4.87 121.20 113.62 1u9i s ILE 408 Ca 0.00 0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 58.52 1u9i s ILE 408 Cb 0.00 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1u9i s ILE 408 CO 0.00 0.27 1.12 -0.89 -1.23 0.00 0.00 174.94 174.21 1u9i s THR 409 N 1.42 4.29 -0.05 2.92 2.01 -0.83 -4.42 115.64 120.98 1u9i s THR 409 Ca 0.12 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1u9i s THR 409 Cb -0.15 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1u9i s THR 409 CO 0.07 0.14 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.17 1u9i s GLY 410 N 0.97 0.83 -0.19 4.40 0.00 -1.14 -0.52 107.32 111.66 1u9i s GLY 410 Ca 0.56 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.71 1u9i s GLY 410 CO 0.29 -0.11 -0.05 -2.27 0.00 0.00 0.00 173.10 170.97 1u9i s LEU 411 N 0.35 2.97 -0.02 0.66 2.96 0.11 -0.80 118.68 124.92 1u9i s LEU 411 Ca -0.09 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1u9i s LEU 411 Cb -0.13 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1u9i s LEU 411 CO 0.03 0.05 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.52 1u9i s PHE 412 N 1.09 2.44 -0.04 5.38 0.40 0.11 -1.33 117.98 126.02 1u9i s PHE 412 Ca 0.01 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1u9i s PHE 412 Cb -0.15 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1u9i s PHE 412 CO -0.00 0.06 0.15 0.99 0.70 0.00 0.00 175.22 177.11 1u9i s THR 413 N -0.69 5.30 -0.11 0.64 2.01 -0.83 -0.25 115.64 121.71 1u9i s THR 413 Ca 0.11 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1u9i s THR 413 Cb -0.10 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.05 1u9i s THR 413 CO 0.00 0.43 0.23 0.21 -0.69 0.00 0.00 174.62 174.80 1u9i s ASN 414 N -1.60 0.11 -0.40 3.53 2.47 -0.24 0.18 114.94 118.99 1u9i s ASN 414 Ca 0.22 0.51 -0.13 0.00 0.42 0.00 0.00 52.86 53.89 1u9i s ASN 414 Cb -0.12 0.49 0.03 0.00 -1.45 0.00 0.00 41.25 40.19 1u9i s ASN 414 CO 0.13 -0.20 0.25 -0.89 -3.72 0.00 0.00 177.10 172.67 1u9i s THR 415 N 1.82 4.87 0.35 -5.21 2.01 -1.26 -1.99 115.64 116.24 1u9i s THR 415 Ca -0.04 -0.81 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1u9i s THR 415 Cb -0.11 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 1u9i s THR 415 CO -0.08 -0.29 1.31 -0.94 -0.69 0.00 0.00 174.62 173.92 1u9i s SER 416 N 1.66 6.63 0.58 3.53 1.04 -0.71 -4.89 113.70 121.54 1u9i s SER 416 Ca 0.03 2.68 0.39 0.00 0.48 0.00 0.00 55.95 59.53 1u9i s SER 416 Cb -0.19 -2.65 2.09 0.00 0.10 0.00 0.00 66.02 65.37 1u9i s SER 416 CO 0.08 -0.63 2.18 0.44 0.98 0.00 0.00 173.24 176.29 1u9i h ASP 417 N 3.16 0.00 -3.38 7.02 3.32 -1.97 -3.42 116.42 121.16 1u9i h ASP 417 Ca -0.49 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.13 1u9i h ASP 417 Cb 1.23 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.43 1u9i h ASP 417 CO 0.65 0.00 -0.78 0.00 -1.72 0.00 0.00 179.24 177.39 1u9i s GLN 418 N -3.98 0.87 0.01 3.56 -2.07 -1.26 -5.09 119.66 111.70 1u9i s GLN 418 Ca -0.04 -0.08 -0.30 0.00 -1.82 0.00 0.00 55.36 53.12 1u9i s GLN 418 Cb 0.11 -0.96 -0.04 0.00 -1.09 0.00 0.00 33.01 31.03 1u9i s GLN 418 CO 0.36 -0.15 1.06 -0.59 -1.32 0.00 0.00 175.29 174.65 1u9i s PHE 419 N 1.24 3.55 0.26 9.60 -0.12 -1.26 -4.29 117.98 126.95 1u9i s PHE 419 Ca -0.06 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 58.36 1u9i s PHE 419 Cb -0.14 -3.24 0.00 0.00 -0.63 0.00 0.00 43.02 39.02 1u9i s PHE 419 CO -0.02 -0.50 0.00 -1.33 -0.05 0.00 0.00 175.22 173.33 1u9i n MET 420 N 4.07 -4.10 0.00 1.99 2.81 -1.26 -4.78 117.12 115.85 1u9i n MET 420 Ca 0.07 2.97 0.00 0.00 -1.81 0.00 0.00 57.70 58.94 1u9i n MET 420 Cb 0.49 -3.22 0.00 0.00 -0.71 0.00 0.00 33.22 29.78 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 0.59 2.03 3.68 3.03 0.00 -0.75 -4.96 105.19 108.82 1u9i n GLY 421 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.52 -0.27 0.17 4.61 0.00 -1.26 -4.82 120.51 117.42 1u9i n ALA 422 Ca 0.00 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.92 1u9i n ALA 422 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 19.45 17.28 1u9i n ALA 422 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u9i h HIS 423 N 7.30 0.00 -4.35 0.00 3.86 -1.95 -3.46 115.15 116.54 1u9i h HIS 423 Ca -0.43 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.15 1u9i h HIS 423 Cb 1.33 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 29.52 1u9i h HIS 423 CO 0.77 0.00 -0.86 -1.54 0.86 0.00 0.00 177.93 177.16 1u9i s SER 424 N -5.21 2.65 0.09 2.45 1.04 -1.26 -5.05 113.70 108.42 1u9i s SER 424 Ca 0.00 -0.47 -0.25 0.00 0.48 0.00 0.00 55.95 55.72 1u9i s SER 424 Cb 0.10 -0.26 -0.13 0.00 0.10 0.00 0.00 66.02 65.83 1u9i s SER 424 CO 0.78 0.24 1.70 0.40 0.98 0.00 0.00 173.24 177.34 1u9i h ILE 425 N 4.46 0.80 -3.80 -1.02 2.04 -2.03 -3.42 117.51 114.54 1u9i h ILE 425 Ca -0.42 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 64.85 1u9i h ILE 425 Cb 1.14 0.80 -0.32 0.00 -0.74 0.00 0.00 36.82 37.70 1u9i h ILE 425 CO 0.46 0.00 -0.85 0.42 0.00 0.00 0.00 178.15 178.18 1u9i s THR 426 N -6.16 1.56 0.23 -0.27 -4.23 -1.26 -4.83 115.64 100.68 1u9i s THR 426 Ca -0.14 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1u9i s THR 426 Cb 0.06 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 1u9i s THR 426 CO 0.66 0.45 1.59 0.44 -0.54 0.00 0.00 174.62 177.22 1u9i h ASP 427 N 6.36 0.50 1.11 3.99 3.32 -1.95 -2.76 116.42 127.00 1u9i h ASP 427 Ca -0.31 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1u9i h ASP 427 Cb 1.18 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1u9i h ASP 427 CO 0.48 0.89 0.00 -1.54 -1.72 0.00 0.00 179.24 177.34 1u9i n SER 428 N -4.00 0.39 -2.72 6.45 3.41 -1.26 -4.97 113.62 110.93 1u9i n SER 428 Ca -0.02 0.55 -0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1u9i n SER 428 Cb 0.53 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.88 -2.01 -4.62 7.33 8.25 -1.04 -4.95 115.22 116.30 1u9i n HIS 429 Ca 0.06 0.74 -0.33 0.00 -0.26 0.00 0.00 57.72 57.92 1u9i n HIS 429 Cb 0.35 -3.56 -0.13 0.00 1.12 0.00 0.00 29.99 27.76 1u9i n HIS 429 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u9i s ILE 430 N -3.14 3.43 0.00 1.59 -1.09 -1.26 -5.08 121.20 115.64 1u9i s ILE 430 Ca 0.17 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1u9i s ILE 430 Cb -0.02 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1u9i s ILE 430 CO 0.55 0.52 0.00 -0.38 -1.23 0.00 0.00 174.94 174.39 1u9i n ILE 433 N 3.45 0.00 -3.75 2.92 2.08 -1.26 -5.03 119.36 117.77 1u9i n ILE 433 Ca -0.18 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.83 1u9i n ILE 433 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.37 1u9i n ILE 433 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1u9i s THR 434 N -2.28 5.24 -0.12 1.39 -1.32 -1.26 -5.00 115.64 112.28 1u9i s THR 434 Ca 0.00 -0.16 -0.26 0.00 -1.21 0.00 0.00 61.69 60.06 1u9i s THR 434 Cb 0.00 -3.65 -0.27 0.00 -1.51 0.00 0.00 72.50 67.08 1u9i s THR 434 CO 0.00 0.03 0.73 0.44 -2.21 0.00 0.00 174.62 173.61 1u9i h ASP 435 N 2.75 0.12 -3.91 8.08 3.32 -1.72 -3.47 116.42 121.60 1u9i h ASP 435 Ca -0.46 -0.94 -0.59 0.00 0.02 0.00 0.00 57.03 55.07 1u9i h ASP 435 Cb 1.17 -0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.37 1u9i h ASP 435 CO 0.73 1.16 -0.85 -0.89 -1.72 0.00 0.00 179.24 177.68 1u9i s THR 436 N -2.29 1.55 -0.12 0.35 2.01 -0.62 -2.76 115.64 113.76 1u9i s THR 436 Ca -0.19 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1u9i s THR 436 Cb -0.01 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1u9i s THR 436 CO 0.72 0.44 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.23 1u9i s ILE 437 N 0.01 2.10 -0.18 1.82 1.09 -0.42 -0.77 121.20 124.86 1u9i s ILE 437 Ca -0.04 -0.98 -0.01 0.00 -1.10 0.00 0.00 60.65 58.52 1u9i s ILE 437 Cb -0.12 -1.82 0.00 0.00 -1.06 0.00 0.00 42.46 39.46 1u9i s ILE 437 CO 0.03 0.55 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.65 1u9i s ILE 438 N 0.59 2.73 -0.17 2.92 -1.09 0.66 -0.45 121.20 126.40 1u9i s ILE 438 Ca -0.12 -0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1u9i s ILE 438 Cb -0.17 -2.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1u9i s ILE 438 CO 0.03 0.50 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.93 1u9i s LEU 439 N 1.06 2.83 -0.12 2.97 2.96 0.59 -1.34 118.68 127.64 1u9i s LEU 439 Ca -0.00 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1u9i s LEU 439 Cb -0.15 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1u9i s LEU 439 CO -0.04 0.09 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.28 1u9i s LEU 440 N 0.82 3.29 -0.08 -0.68 1.43 0.71 -1.17 118.68 123.00 1u9i s LEU 440 Ca -0.03 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 1u9i s LEU 440 Cb -0.15 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1u9i s LEU 440 CO 0.01 0.27 0.37 0.00 0.23 0.00 0.00 176.35 177.22 1u9i s GLN 441 N -0.22 0.59 0.37 1.70 -2.07 -0.68 -4.07 119.66 115.26 1u9i s GLN 441 Ca 0.04 0.18 -0.25 0.00 -1.82 0.00 0.00 55.36 53.51 1u9i s GLN 441 Cb -0.13 0.27 -0.09 0.00 -1.09 0.00 0.00 33.01 31.97 1u9i s GLN 441 CO 0.02 -0.13 1.03 0.71 -1.32 0.00 0.00 175.29 175.60 1u9i s TYR 442 N -0.59 3.42 -0.13 9.60 4.12 -1.26 -1.56 117.35 130.95 1u9i s TYR 442 Ca -0.07 1.69 -0.02 0.00 0.02 0.00 0.00 57.07 58.69 1u9i s TYR 442 Cb -0.04 -3.09 0.04 0.00 -1.52 0.00 0.00 41.96 37.35 1u9i s TYR 442 CO 0.03 -0.40 -0.00 0.08 0.02 0.00 0.00 175.55 175.28 1u9i s VAL 443 N -1.59 0.58 -0.20 0.71 1.01 0.11 -4.37 120.40 116.66 1u9i s VAL 443 Ca 0.54 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1u9i s VAL 443 Cb -0.22 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1u9i s VAL 443 CO 0.28 0.09 1.33 -0.70 0.00 0.00 0.00 175.10 176.10 1u9i s GLU 444 N 1.86 4.11 -0.07 2.72 2.12 0.98 -1.70 118.70 128.72 1u9i s GLU 444 Ca 0.02 1.59 -0.02 0.00 0.36 0.00 0.00 54.97 56.92 1u9i s GLU 444 Cb -0.14 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.45 1u9i s GLU 444 CO -0.07 -0.88 0.04 0.42 -0.54 0.00 0.00 175.26 174.24 1u9i s ILE 445 N 3.92 0.07 -1.22 -3.70 1.01 0.65 -4.14 121.20 117.79 1u9i s ILE 445 Ca 0.58 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 61.29 1u9i s ILE 445 Cb -0.21 -0.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.90 1u9i s ILE 445 CO 0.19 0.13 0.69 0.54 0.00 0.00 0.00 174.94 176.49 1u9i n ARG 446 N 5.24 -1.85 -1.49 2.79 1.74 -1.26 -1.06 116.66 120.77 1u9i n ARG 446 Ca -0.05 0.43 -0.17 0.00 -0.77 0.00 0.00 57.85 57.29 1u9i n ARG 446 Cb 0.50 -4.18 -0.07 0.00 -1.02 0.00 0.00 32.46 27.69 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 -1.78 1.68 3.11 -0.13 0.00 -1.26 -4.98 105.19 101.83 1u9i n GLY 447 Ca -0.16 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.43 0.69 -0.76 1.61 2.02 -0.22 -5.11 118.70 113.50 1u9i s GLU 448 Ca 0.00 -0.82 -0.19 0.00 0.02 0.00 0.00 54.97 53.98 1u9i s GLU 448 Cb 0.00 -0.59 0.12 0.00 0.10 0.00 0.00 34.13 33.76 1u9i s GLU 448 CO 0.00 0.13 0.92 -1.64 0.02 0.00 0.00 175.26 174.69 1u9i s MET 449 N -1.55 3.34 0.34 1.61 -1.94 -1.26 -0.25 119.30 119.58 1u9i s MET 449 Ca -0.05 -1.55 0.07 0.00 -1.71 0.00 0.00 55.69 52.45 1u9i s MET 449 Cb -0.09 -4.53 -0.02 0.00 2.01 0.00 0.00 34.83 32.20 1u9i s MET 449 CO 0.01 -1.65 0.40 -1.54 -0.01 0.00 0.00 175.02 172.24 1u9i s SER 450 N 3.45 5.69 0.35 3.03 1.04 -0.69 -4.90 113.70 121.67 1u9i s SER 450 Ca 0.22 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.41 1u9i s SER 450 Cb -0.14 -1.12 -0.03 0.00 0.10 0.00 0.00 66.02 64.84 1u9i s SER 450 CO -0.01 -0.41 0.30 -0.13 0.98 0.00 0.00 173.24 173.97 1u9i s ARG 451 N -4.11 2.67 -0.12 4.02 3.00 -1.26 0.09 118.95 123.25 1u9i s ARG 451 Ca 0.44 -1.35 -0.13 0.00 0.00 0.00 0.00 55.73 54.68 1u9i s ARG 451 Cb -0.08 -2.45 0.03 0.00 0.00 0.00 0.00 34.95 32.46 1u9i s ARG 451 CO 0.29 0.04 0.36 0.00 0.00 0.00 0.00 175.30 176.00 1u9i s ALA 452 N -2.34 -0.90 0.01 2.13 0.00 -0.60 -2.49 121.76 117.57 1u9i s ALA 452 Ca 0.42 0.95 0.09 0.00 0.00 0.00 0.00 51.96 53.42 1u9i s ALA 452 Cb -0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1u9i s ALA 452 CO 0.27 -0.18 -0.26 -1.50 0.00 0.00 0.00 175.76 174.08 1u9i s ILE 453 N 0.01 2.10 -0.14 0.00 2.07 0.30 -1.69 121.20 123.85 1u9i s ILE 453 Ca -0.02 -1.25 -0.07 0.00 -1.41 0.00 0.00 60.65 57.90 1u9i s ILE 453 Cb -0.03 -1.77 0.06 0.00 0.13 0.00 0.00 42.46 40.85 1u9i s ILE 453 CO 0.01 0.47 0.34 0.21 -1.91 0.00 0.00 174.94 174.06 1u9i s ASN 454 N -0.93 -0.34 -0.88 4.50 2.47 -0.32 -1.67 114.94 117.77 1u9i s ASN 454 Ca 0.11 0.74 -0.23 0.00 0.42 0.00 0.00 52.86 53.90 1u9i s ASN 454 Cb -0.10 0.67 0.06 0.00 -1.45 0.00 0.00 41.25 40.43 1u9i s ASN 454 CO 0.01 -0.19 1.29 -0.69 -3.72 0.00 0.00 177.10 173.79 1u9i s VAL 455 N 1.52 4.05 0.18 -5.21 1.01 -1.26 -0.30 120.40 120.39 1u9i s VAL 455 Ca -0.08 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1u9i s VAL 455 Cb -0.10 -4.93 0.10 0.00 0.00 0.00 0.00 36.38 31.45 1u9i s VAL 455 CO -0.11 -1.78 1.82 0.15 0.00 0.00 0.00 175.10 175.18 1u9i h PHE 456 N 9.67 0.82 -2.44 5.22 3.57 -1.09 -3.45 116.94 129.24 1u9i h PHE 456 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1u9i h PHE 456 Cb 1.03 -0.27 -0.16 0.00 2.79 0.00 0.00 35.95 39.34 1u9i h PHE 456 CO 1.18 0.56 0.23 -1.59 -2.23 0.00 0.00 178.31 176.47 1u9i s LYS 457 N -5.97 1.12 -0.22 1.11 -2.85 -1.15 -4.97 119.74 106.81 1u9i s LYS 457 Ca -0.13 -0.10 -0.04 0.00 -1.00 0.00 0.00 55.97 54.70 1u9i s LYS 457 Cb 0.13 0.52 0.12 0.00 -2.06 0.00 0.00 37.83 36.54 1u9i s LYS 457 CO 0.77 -0.43 0.36 -1.64 0.10 0.00 0.00 175.35 174.52 1u9i s MET 458 N -2.43 0.32 0.30 1.78 -1.94 -1.26 -1.30 119.30 114.76 1u9i s MET 458 Ca -0.04 0.60 0.01 0.00 -1.71 0.00 0.00 55.69 54.54 1u9i s MET 458 Cb -0.01 -0.39 0.53 0.00 2.01 0.00 0.00 34.83 36.98 1u9i s MET 458 CO -0.02 -0.56 1.90 0.00 -0.01 0.00 0.00 175.02 176.33 1u9i h ARG 459 N 8.20 1.00 0.00 2.03 3.08 -1.91 -3.27 114.38 123.51 1u9i h ARG 459 Ca -0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1u9i h ARG 459 Cb 1.14 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1u9i h ARG 459 CO 0.24 0.66 -1.57 0.41 -1.07 0.00 0.00 179.97 178.64 1u9i n GLY 460 N -1.39 -0.66 4.02 0.04 0.00 -1.26 -5.04 105.19 100.90 1u9i n GLY 460 Ca 0.15 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.59 4.97 -0.16 1.61 0.15 -1.23 -5.07 113.70 110.37 1u9i s SER 461 Ca -0.04 -0.96 -0.20 0.00 0.70 0.00 0.00 55.95 55.44 1u9i s SER 461 Cb 0.10 0.44 -0.23 0.00 -1.71 0.00 0.00 66.02 64.62 1u9i s SER 461 CO 0.64 -1.38 0.42 -0.25 1.20 0.00 0.00 173.24 173.86 1u9i h TRP 462 N 0.20 0.16 -3.05 3.44 7.01 -1.85 -3.44 115.95 118.42 1u9i h TRP 462 Ca -0.29 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1u9i h TRP 462 Cb 1.29 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.35 1u9i h TRP 462 CO 0.52 1.44 -0.52 -2.39 -2.79 0.00 0.00 178.44 174.71 1u9i n HIS 463 N -4.26 -2.45 -2.09 2.65 1.44 -1.25 -4.88 115.22 104.38 1u9i n HIS 463 Ca -0.26 1.31 -0.40 0.00 -2.01 0.00 0.00 57.72 56.36 1u9i n HIS 463 Cb 0.73 -2.13 -0.02 0.00 0.12 0.00 0.00 29.99 28.70 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 -3.65 6.65 0.00 4.39 2.15 0.99 -4.92 116.67 122.27 1u9i s ASP 464 Ca 0.00 2.70 0.24 0.00 0.43 0.00 0.00 52.55 55.92 1u9i s ASP 464 Cb 0.00 -2.65 0.45 0.00 -0.30 0.00 0.00 42.92 40.42 1u9i s ASP 464 CO 0.00 -0.62 1.41 0.29 -0.17 0.00 0.00 175.17 176.07 1u9i n LYS 465 N 0.62 2.21 -2.81 4.34 4.76 -1.26 -4.44 118.16 121.59 1u9i n LYS 465 Ca 0.01 -1.79 -0.35 0.00 -2.87 0.00 0.00 58.31 53.31 1u9i n LYS 465 Cb 0.42 -1.47 -0.07 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.85 3.15 -0.86 7.82 0.00 -1.26 -4.99 121.76 123.77 1u9i s ALA 466 Ca 0.33 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 1u9i s ALA 466 Cb 0.21 -3.16 0.22 0.00 0.00 0.00 0.00 23.12 20.39 1u9i s ALA 466 CO 0.31 0.16 0.80 0.42 0.00 0.00 0.00 175.76 177.45 1u9i s ILE 467 N -1.83 5.60 0.14 0.00 -1.09 -1.26 -4.53 121.20 118.22 1u9i s ILE 467 Ca 0.55 -2.61 -0.26 0.00 -2.23 0.00 0.00 60.65 56.09 1u9i s ILE 467 Cb -0.15 -4.45 -0.07 0.00 -1.58 0.00 0.00 42.46 36.21 1u9i s ILE 467 CO 0.20 -1.04 0.82 -0.13 -1.23 0.00 0.00 174.94 173.55 1u9i s ARG 468 N -0.03 4.61 0.38 2.79 0.52 -0.67 -3.92 118.95 122.62 1u9i s ARG 468 Ca 0.19 1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 56.47 1u9i s ARG 468 Cb -0.10 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 31.97 1u9i s ARG 468 CO -0.09 0.44 0.81 -1.83 0.02 0.00 0.00 175.30 174.65 1u9i s GLU 469 N -0.73 4.00 -0.04 3.54 -1.05 0.03 0.11 118.70 124.57 1u9i s GLU 469 Ca 0.39 0.75 -0.10 0.00 -0.15 0.00 0.00 54.97 55.86 1u9i s GLU 469 Cb -0.23 -2.35 0.02 0.00 -0.44 0.00 0.00 34.13 31.13 1u9i s GLU 469 CO 0.27 0.05 0.22 -0.59 0.95 0.00 0.00 175.26 176.15 1u9i s PHE 470 N -2.15 -0.13 0.36 4.83 -0.12 -1.04 -0.48 117.98 119.25 1u9i s PHE 470 Ca 0.56 0.25 0.08 0.00 -0.05 0.00 0.00 56.93 57.77 1u9i s PHE 470 Cb -0.10 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 1u9i s PHE 470 CO 0.20 -0.26 0.28 0.00 -0.05 0.00 0.00 175.22 175.39 1u9i s MET 471 N -0.83 2.57 -0.08 1.99 0.23 -1.03 -3.98 119.30 118.17 1u9i s MET 471 Ca -0.09 -1.44 0.03 0.00 -1.03 0.00 0.00 55.69 53.15 1u9i s MET 471 Cb -0.05 -2.36 0.01 0.00 -1.53 0.00 0.00 34.83 30.90 1u9i s MET 471 CO 0.02 0.01 -0.15 0.42 -2.03 0.00 0.00 175.02 173.29 1u9i s ILE 472 N -2.39 1.34 0.00 3.16 -1.09 -1.26 -2.07 121.20 118.89 1u9i s ILE 472 Ca 0.42 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1u9i s ILE 472 Cb -0.04 -1.21 0.00 0.00 -1.58 0.00 0.00 42.46 39.63 1u9i s ILE 472 CO 0.26 0.40 0.00 -1.54 -1.23 0.00 0.00 174.94 172.83 1u9i n SER 473 N 3.80 0.48 0.05 3.58 3.41 -0.13 -4.98 113.62 119.83 1u9i n SER 473 Ca -0.22 -0.85 -0.02 0.00 -0.26 0.00 0.00 58.87 57.52 1u9i n SER 473 Cb 0.52 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.38 0.19 4.04 3.32 -1.92 -2.29 116.42 120.13 1u9i h ASP 474 Ca 0.00 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1u9i h ASP 474 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1u9i h ASP 474 CO 0.00 0.64 -0.35 0.11 -1.72 0.00 0.00 179.24 177.93 1u9i h LYS 475 N 0.34 0.23 0.00 3.56 1.57 -1.84 -2.87 116.57 117.57 1u9i h LYS 475 Ca 0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1u9i h LYS 475 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1u9i h LYS 475 CO 0.05 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.90 1u9i n GLY 476 N -0.34 0.30 3.73 3.86 0.00 -0.86 -4.72 105.19 107.15 1u9i n GLY 476 Ca -0.01 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.94 4.26 -0.30 1.61 0.04 -1.26 -0.96 135.00 137.46 1u9i s PRO 477 Ca 0.00 0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.19 1u9i s PRO 477 Cb 0.00 -3.43 0.08 0.00 0.04 0.00 0.00 34.50 31.19 1u9i s PRO 477 CO 0.00 0.23 -0.04 0.34 0.04 0.00 0.00 177.00 177.58 1u9i s ASP 478 N 0.48 4.59 -0.43 6.66 2.15 -0.88 -5.00 116.67 124.25 1u9i s ASP 478 Ca 0.17 -1.75 -0.28 0.00 0.43 0.00 0.00 52.55 51.13 1u9i s ASP 478 Cb -0.13 -1.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.93 1u9i s ASP 478 CO 0.04 -0.28 1.04 -0.63 -0.17 0.00 0.00 175.17 175.18 1u9i s ILE 479 N 1.01 4.38 0.00 4.11 1.01 -1.26 -2.46 121.20 127.99 1u9i s ILE 479 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1u9i s ILE 479 Cb -0.20 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.79 1u9i s ILE 479 CO -0.06 -0.80 0.00 0.29 0.00 0.00 0.00 174.94 174.37 1u9i n LYS 480 N 7.34 1.17 -3.15 2.79 5.02 0.37 -5.00 118.16 126.70 1u9i n LYS 480 Ca 0.10 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 1u9i n LYS 480 Cb 0.48 0.00 0.02 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 5.30 0.65 4.39 1.01 -1.26 -4.59 116.67 121.16 1u9i s ASP 481 Ca 0.00 -0.68 -0.05 0.00 0.71 0.00 0.00 52.55 52.52 1u9i s ASP 481 Cb 0.00 -0.20 0.04 0.00 1.01 0.00 0.00 42.92 43.77 1u9i s ASP 481 CO 0.00 -1.00 0.95 -0.94 0.21 0.00 0.00 175.17 174.39 1u9i s SER 482 N -4.44 5.11 -1.11 0.27 1.04 -1.26 -0.79 113.70 112.51 1u9i s SER 482 Ca 0.55 0.46 -0.07 0.00 0.48 0.00 0.00 55.95 57.38 1u9i s SER 482 Cb -0.07 -1.25 0.28 0.00 0.10 0.00 0.00 66.02 65.08 1u9i s SER 482 CO 0.34 -1.37 1.39 0.49 0.98 0.00 0.00 173.24 175.07 1u9i n PHE 483 N -2.74 3.44 0.23 5.02 3.01 -1.25 -4.82 117.46 120.34 1u9i n PHE 483 Ca 0.07 -3.07 0.11 0.00 1.01 0.00 0.00 57.45 55.57 1u9i n PHE 483 Cb 0.59 -1.50 0.70 0.00 -0.01 0.00 0.00 39.48 39.27 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 5.94 0.00 -0.91 -1.08 2.43 -1.94 -2.67 114.38 116.15 1u9i h ARG 484 Ca 0.21 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.13 1u9i h ARG 484 Cb 0.71 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.11 1u9i h ARG 484 CO 1.25 0.00 0.32 0.27 -1.51 0.00 0.00 179.97 180.30 1u9i n ASN 485 N -4.36 3.81 -4.34 -3.80 6.94 -1.26 -4.94 115.26 107.32 1u9i n ASN 485 Ca -0.01 -2.99 -0.18 0.00 -0.02 0.00 0.00 54.58 51.38 1u9i n ASN 485 Cb 0.17 -0.71 -0.10 0.00 -2.36 0.00 0.00 39.78 36.78 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 -2.32 1.64 0.12 -2.53 0.40 -1.01 -1.60 117.98 112.67 1u9i s PHE 486 Ca 0.40 -0.67 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1u9i s PHE 486 Cb 0.33 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 1u9i s PHE 486 CO 0.09 0.24 -0.17 -1.21 0.70 0.00 0.00 175.22 174.87 1u9i s GLU 487 N -3.71 1.10 -1.06 0.44 2.02 -1.07 -4.85 118.70 111.57 1u9i s GLU 487 Ca 0.23 -1.22 -0.15 0.00 0.02 0.00 0.00 54.97 53.84 1u9i s GLU 487 Cb 0.01 -1.17 -0.02 0.00 0.10 0.00 0.00 34.13 33.06 1u9i s GLU 487 CO 0.06 0.25 0.80 0.54 0.02 0.00 0.00 175.26 176.93 1u9i n ARG 488 N 0.74 -1.41 0.02 1.61 1.74 -1.26 -1.50 116.66 116.60 1u9i n ARG 488 Ca -0.17 0.64 -0.19 0.00 -0.77 0.00 0.00 57.85 57.36 1u9i n ARG 488 Cb 0.55 -4.43 -0.14 0.00 -1.02 0.00 0.00 32.46 27.43 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 -1.44 0.76 -0.86 0.55 2.04 -1.89 -3.20 117.51 113.48 1u9i h ILE 489 Ca -0.59 -2.48 0.23 0.00 1.00 0.00 0.00 64.86 63.02 1u9i h ILE 489 Cb 1.32 2.56 -0.04 0.00 -0.74 0.00 0.00 36.82 39.91 1u9i h ILE 489 CO 0.45 0.81 0.60 0.40 0.00 0.00 0.00 178.15 180.41 1u9i h ILE 490 N 0.06 0.61 0.00 -0.67 1.08 -1.96 0.00 117.51 116.63 1u9i h ILE 490 Ca -0.37 -0.04 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 1u9i h ILE 490 Cb 2.04 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.26 1u9i h ILE 490 CO 0.11 0.02 -0.21 0.77 -0.69 0.00 0.00 178.15 178.16 1u9i h SER 491 N 0.12 0.00 0.00 1.72 4.64 -1.95 -3.37 113.55 114.71 1u9i h SER 491 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1u9i h SER 491 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1u9i h SER 491 CO -0.06 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1u9i n GLY 492 N -0.19 3.35 2.66 -0.77 0.00 -0.01 -1.82 105.19 108.39 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 -1.04 3.25 1.34 1.61 0.01 -1.26 -0.01 113.70 117.60 1u9i s SER 493 Ca 0.00 -3.11 -0.20 0.00 1.31 0.00 0.00 55.95 53.95 1u9i s SER 493 Cb 0.00 -1.00 0.34 0.00 0.21 0.00 0.00 66.02 65.58 1u9i s SER 493 CO 0.00 -0.18 0.96 -2.84 0.41 0.00 0.00 173.24 171.59 1u9i s PRO 494 N -0.24 -2.32 -0.32 12.44 0.02 -1.21 -4.88 135.00 138.48 1u9i s PRO 494 Ca 0.25 0.32 -0.01 0.00 0.02 0.00 0.00 61.00 61.58 1u9i s PRO 494 Cb -0.09 -1.43 0.10 0.00 0.02 0.00 0.00 34.50 33.10 1u9i s PRO 494 CO -0.11 -4.52 0.11 0.99 -0.33 0.00 0.00 177.00 173.14 1u9i s THR 495 N -2.36 0.85 0.44 0.99 2.01 -0.56 -4.95 115.64 112.06 1u9i s THR 495 Ca 0.69 -1.47 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 1u9i s THR 495 Cb -0.17 -1.64 -0.10 0.00 0.01 0.00 0.00 72.50 70.61 1u9i s THR 495 CO 0.60 -0.71 1.16 0.54 -0.69 0.00 0.00 174.62 175.52 1u9i n ARG 496 N 4.74 1.65 0.00 4.92 1.74 -1.26 -2.60 116.66 125.84 1u9i n ARG 496 Ca -0.01 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1u9i n ARG 496 Cb 0.41 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 1u9i n ARG 496 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55