#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqy s SER 4 N 0.00 -0.06 0.02 1.45 1.04 -1.26 -5.17 113.70 109.72 1pqy s SER 4 Ca 0.00 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1pqy s SER 4 Cb 0.00 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1pqy s SER 4 CO 0.00 -0.39 -0.11 -0.89 0.98 0.00 0.00 173.24 172.83 1pqy s THR 5 N -1.32 0.85 0.17 2.02 2.01 -1.26 -4.91 115.64 113.20 1pqy s THR 5 Ca -0.14 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 1pqy s THR 5 Cb -0.07 -0.78 0.10 0.00 0.01 0.00 0.00 72.50 71.76 1pqy s THR 5 CO 0.03 -0.00 1.68 -0.65 -0.69 0.00 0.00 174.62 174.98 1pqy h PRO 6 N 5.19 0.05 -0.54 4.92 0.11 -1.93 -2.59 132.00 137.22 1pqy h PRO 6 Ca -0.35 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.60 1pqy h PRO 6 Cb 1.18 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1pqy h PRO 6 CO 0.45 0.03 0.14 1.28 -0.21 0.00 0.00 178.00 179.69 1pqy n LEU 7 N -5.26 5.12 -4.67 2.35 4.77 0.06 -5.00 117.00 114.36 1pqy n LEU 7 Ca 0.03 -3.28 -0.49 0.00 -0.03 0.00 0.00 56.01 52.24 1pqy n LEU 7 Cb 0.23 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1pqy n LEU 7 CO 0.16 0.86 1.34 1.67 -1.33 0.00 0.00 177.39 180.10 1pqy n GLN 8 N -0.46 1.99 0.00 3.23 7.27 -0.98 -0.80 117.38 127.62 1pqy n GLN 8 Ca 0.34 0.72 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1pqy n GLN 8 Cb 1.19 -2.52 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1pqy n GLN 8 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pqy n GLY 9 N 3.96 1.32 3.72 1.69 0.00 -1.26 -5.01 105.19 109.61 1pqy n GLY 9 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1pqy n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pqy s ILE 10 N -2.31 4.29 -0.14 -0.61 -1.09 0.02 -4.94 121.20 116.41 1pqy s ILE 10 Ca 0.00 1.82 -0.02 0.00 -2.23 0.00 0.00 60.65 60.22 1pqy s ILE 10 Cb 0.00 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.70 1pqy s ILE 10 CO 0.00 0.24 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.32 1pqy s LYS 11 N 0.28 3.53 -0.10 2.79 1.02 -1.26 -0.64 119.74 125.37 1pqy s LYS 11 Ca 0.51 -0.60 0.04 0.00 0.02 0.00 0.00 55.97 55.94 1pqy s LYS 11 Cb -0.26 -2.78 -0.00 0.00 -0.52 0.00 0.00 37.83 34.27 1pqy s LYS 11 CO 0.31 0.24 -0.23 0.08 -0.92 0.00 0.00 175.35 174.82 1pqy s VAL 12 N 0.34 2.15 -0.49 3.17 1.01 -0.14 -0.99 120.40 125.44 1pqy s VAL 12 Ca -0.07 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 1pqy s VAL 12 Cb -0.15 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.47 1pqy s VAL 12 CO 0.04 0.56 0.53 -0.76 0.00 0.00 0.00 175.10 175.47 1pqy s LEU 13 N 0.27 5.20 -0.37 3.92 1.02 0.37 -1.21 118.68 127.89 1pqy s LEU 13 Ca -0.16 -1.05 -0.06 0.00 0.02 0.00 0.00 54.13 52.88 1pqy s LEU 13 Cb -0.17 -2.35 0.06 0.00 0.02 0.00 0.00 46.19 43.75 1pqy s LEU 13 CO 0.08 -0.79 0.15 -0.62 0.02 0.00 0.00 176.35 175.19 1pqy s ASP 14 N 2.62 5.33 0.00 2.29 2.15 -0.11 -0.80 116.67 128.15 1pqy s ASP 14 Ca 0.11 -1.41 0.24 0.00 0.43 0.00 0.00 52.55 51.92 1pqy s ASP 14 Cb -0.21 -1.87 0.33 0.00 -0.30 0.00 0.00 42.92 40.87 1pqy s ASP 14 CO 0.10 -0.41 1.34 0.49 -0.17 0.00 0.00 175.17 176.52 1pqy n PHE 15 N 4.78 0.22 -1.90 -5.34 3.01 0.01 -0.79 117.46 117.44 1pqy n PHE 15 Ca -0.10 -0.11 -0.34 0.00 1.01 0.00 0.00 57.45 57.91 1pqy n PHE 15 Cb 0.43 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.94 1pqy n PHE 15 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1pqy s THR 16 N -1.78 3.15 0.05 4.37 -4.23 -1.21 -4.68 115.64 111.31 1pqy s THR 16 Ca 0.33 0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 61.42 1pqy s THR 16 Cb 0.21 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1pqy s THR 16 CO 0.31 -0.27 -0.00 -0.83 -0.54 0.00 0.00 174.62 173.28 1pqy s GLY 17 N -2.28 0.41 0.00 3.99 0.00 -1.26 -4.73 107.32 103.46 1pqy s GLY 17 Ca 0.69 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1pqy s GLY 17 CO 0.37 -1.22 0.00 -0.62 0.00 0.00 0.00 173.10 171.63 1pqy n VAL 18 N 0.18 0.00 -0.02 1.40 0.31 -1.26 -4.44 118.33 114.50 1pqy n VAL 18 Ca -0.15 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.13 1pqy n VAL 18 Cb 0.61 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.52 1pqy n VAL 18 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1pqy n GLN 19 N 12.68 0.24 -0.17 5.55 7.27 -1.26 -4.49 117.38 137.20 1pqy n GLN 19 Ca 0.00 0.10 -0.11 0.00 0.07 0.00 0.00 57.00 57.05 1pqy n GLN 19 Cb 0.00 -0.92 -0.09 0.00 2.41 0.00 0.00 30.24 31.64 1pqy n GLN 19 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1pqy h SER 20 N -0.45 -1.66 -0.10 1.69 4.64 -1.80 0.97 113.55 116.85 1pqy h SER 20 Ca -0.02 0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pqy h SER 20 Cb 0.52 0.69 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1pqy h SER 20 CO -0.02 -0.32 0.05 1.23 -0.87 0.00 0.00 176.83 176.91 1pqy h GLY 21 N -0.27 0.15 1.83 -0.77 0.00 -1.87 -3.06 103.07 99.08 1pqy h GLY 21 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1pqy h GLY 21 CO -0.57 0.07 0.08 -2.55 0.00 0.00 0.00 176.54 173.57 1pqy h PRO 22 N 0.04 0.22 -0.51 4.80 0.11 -1.68 -1.88 132.00 133.10 1pqy h PRO 22 Ca 0.03 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 1pqy h PRO 22 Cb 0.11 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1pqy h PRO 22 CO -0.00 0.18 -0.01 0.66 -0.21 0.00 0.00 178.00 178.61 1pqy h SER 23 N 0.23 0.84 0.17 -2.05 4.64 -0.72 -1.06 113.55 115.59 1pqy h SER 23 Ca 0.06 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1pqy h SER 23 Cb 0.03 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1pqy h SER 23 CO -0.01 0.91 -0.08 0.00 -0.87 0.00 0.00 176.83 176.78 1pqy h THR 25 N -0.54 0.44 0.00 0.00 1.35 -1.42 -2.25 112.91 110.49 1pqy h THR 25 Ca -0.02 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1pqy h THR 25 Cb 0.41 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1pqy h THR 25 CO 0.04 0.15 0.00 1.67 -0.25 0.00 0.00 175.52 177.13 1pqy n GLN 26 N -3.37 0.31 0.00 4.72 7.27 -0.41 -1.48 117.38 124.42 1pqy n GLN 26 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1pqy n GLN 26 Cb 0.36 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.76 1pqy n GLN 26 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1pqy n LEU 28 N 0.59 0.00 -0.12 1.69 4.77 -0.85 -1.55 117.00 121.53 1pqy n LEU 28 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1pqy n LEU 28 Cb 0.12 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1pqy n LEU 28 CO 0.00 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 176.88 1pqy h ALA 29 N 0.00 0.47 0.00 -1.18 0.00 -1.44 -1.68 119.26 115.43 1pqy h ALA 29 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1pqy h ALA 29 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pqy h ALA 29 CO 0.00 0.18 -0.02 -1.49 0.00 0.00 0.00 179.25 177.93 1pqy h TRP 30 N 0.42 0.00 -0.07 0.00 6.55 -1.55 0.01 115.95 121.31 1pqy h TRP 30 Ca 0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.95 1pqy h TRP 30 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1pqy h TRP 30 CO 0.03 0.02 0.00 1.19 -1.05 0.00 0.00 178.44 178.62 1pqy n PHE 31 N -3.16 0.08 0.00 0.49 3.72 -0.98 -4.62 117.46 112.99 1pqy n PHE 31 Ca -0.01 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1pqy n PHE 31 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1pqy n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pqy n GLY 32 N 1.13 0.69 3.82 1.37 0.00 -0.01 -0.76 105.19 111.44 1pqy n GLY 32 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1pqy n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqy s ALA 33 N -2.00 2.94 -0.52 4.61 0.00 -0.67 -4.01 121.76 122.11 1pqy s ALA 33 Ca 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 1pqy s ALA 33 Cb 0.00 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 20.01 1pqy s ALA 33 CO 0.00 -0.43 0.71 0.34 0.00 0.00 0.00 175.76 176.38 1pqy s ASP 34 N -2.86 6.24 -0.33 0.00 2.15 0.19 -4.29 116.67 117.78 1pqy s ASP 34 Ca 0.61 -0.83 -0.13 0.00 0.43 0.00 0.00 52.55 52.63 1pqy s ASP 34 Cb -0.12 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 1pqy s ASP 34 CO 0.32 -0.99 0.26 -0.69 -0.17 0.00 0.00 175.17 173.90 1pqy s VAL 35 N 2.95 5.26 -0.40 1.11 1.01 -1.26 -0.97 120.40 128.10 1pqy s VAL 35 Ca 0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1pqy s VAL 35 Cb -0.18 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1pqy s VAL 35 CO 0.13 0.01 0.26 -0.63 0.00 0.00 0.00 175.10 174.87 1pqy s ILE 36 N 1.80 4.73 -0.26 2.22 1.01 -0.35 -0.98 121.20 129.37 1pqy s ILE 36 Ca 0.08 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1pqy s ILE 36 Cb -0.17 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1pqy s ILE 36 CO 0.11 -0.34 1.10 -0.75 0.00 0.00 0.00 174.94 175.06 1pqy s LYS 37 N 1.57 4.17 -0.34 2.79 2.20 0.84 -0.94 119.74 130.03 1pqy s LYS 37 Ca 0.03 1.30 -0.15 0.00 -0.36 0.00 0.00 55.97 56.79 1pqy s LYS 37 Cb -0.20 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1pqy s LYS 37 CO 0.07 -0.77 0.34 0.42 -0.36 0.00 0.00 175.35 175.05 1pqy s ILE 38 N 3.48 5.19 0.18 5.43 1.01 0.03 -1.48 121.20 135.03 1pqy s ILE 38 Ca 0.47 0.01 0.09 0.00 0.00 0.00 0.00 60.65 61.22 1pqy s ILE 38 Cb -0.15 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1pqy s ILE 38 CO 0.11 -0.08 -0.19 -1.61 0.00 0.00 0.00 174.94 173.18 1pqy s GLU 39 N 1.97 1.35 0.25 2.79 2.02 -0.32 -4.64 118.70 122.12 1pqy s GLU 39 Ca 0.11 -1.47 -0.30 0.00 0.02 0.00 0.00 54.97 53.33 1pqy s GLU 39 Cb -0.17 -1.43 -0.10 0.00 0.10 0.00 0.00 34.13 32.54 1pqy s GLU 39 CO 0.11 0.29 1.43 1.03 0.02 0.00 0.00 175.26 178.14 1pqy s ARG 40 N -2.89 4.27 0.15 1.61 3.00 -1.26 -1.55 118.95 122.28 1pqy s ARG 40 Ca 0.18 2.29 -0.31 0.00 0.00 0.00 0.00 55.73 57.88 1pqy s ARG 40 Cb -0.06 -3.11 -0.11 0.00 0.00 0.00 0.00 34.95 31.67 1pqy s ARG 40 CO 0.08 -0.41 1.79 -2.14 0.00 0.00 0.00 175.30 174.62 1pqy s PRO 41 N -0.39 4.13 0.00 3.54 0.02 -1.26 -1.72 135.00 139.33 1pqy s PRO 41 Ca 0.59 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.20 1pqy s PRO 41 Cb -0.41 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.69 1pqy s PRO 41 CO 0.43 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1pqy n GLY 42 N 4.14 2.88 0.70 0.52 0.00 -1.26 -4.78 105.19 107.39 1pqy n GLY 42 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 1pqy n GLY 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pqy n VAL 43 N -2.00 0.19 -0.53 1.61 0.31 -0.98 -5.14 118.33 111.79 1pqy n VAL 43 Ca 0.00 0.18 0.07 0.00 -0.01 0.00 0.00 64.34 64.58 1pqy n VAL 43 Cb 0.00 -1.25 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 1pqy n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pqy n GLY 44 N 2.88 -1.62 3.59 2.92 0.00 -0.70 -4.83 105.19 107.42 1pqy n GLY 44 Ca -0.01 -1.39 -0.56 0.00 0.00 0.00 0.00 46.02 44.06 1pqy n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pqy n ASP 45 N -2.36 1.16 0.10 1.61 -0.08 -1.26 -4.83 116.55 110.89 1pqy n ASP 45 Ca 0.00 1.13 0.16 0.00 -1.51 0.00 0.00 54.79 54.58 1pqy n ASP 45 Cb 0.24 -1.08 0.70 0.00 2.34 0.00 0.00 41.12 43.32 1pqy n ASP 45 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1pqy h VAL 46 N 3.55 0.77 -0.01 5.18 -1.51 -1.98 0.36 116.25 122.61 1pqy h VAL 46 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1pqy h VAL 46 Cb 1.37 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1pqy h VAL 46 CO 0.77 0.00 0.02 0.71 -1.23 0.00 0.00 177.57 177.84 1pqy h THR 47 N 0.00 0.21 -0.38 7.19 1.35 -1.92 -0.40 112.91 118.96 1pqy h THR 47 Ca 0.16 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1pqy h THR 47 Cb 0.66 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1pqy h THR 47 CO -0.00 0.00 0.22 0.03 -0.25 0.00 0.00 175.52 175.52 1pqy h ARG 48 N 0.00 0.52 -0.10 4.72 3.08 -1.25 -3.15 114.38 118.20 1pqy h ARG 48 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1pqy h ARG 48 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1pqy h ARG 48 CO -0.00 0.37 0.00 -2.39 -1.07 0.00 0.00 179.97 176.88 1pqy n HIS 49 N -4.45 0.13 -3.52 3.04 1.44 -0.21 -1.41 115.22 110.23 1pqy n HIS 49 Ca 0.03 -0.21 -0.37 0.00 -2.01 0.00 0.00 57.72 55.16 1pqy n HIS 49 Cb 0.09 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.12 1pqy n HIS 49 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1pqy s GLN 50 N -0.77 4.11 -1.41 -1.40 -0.21 -0.87 -4.33 119.66 114.78 1pqy s GLN 50 Ca 0.11 0.22 -0.05 0.00 0.02 0.00 0.00 55.36 55.66 1pqy s GLN 50 Cb 0.07 -3.35 0.01 0.00 1.00 0.00 0.00 33.01 30.73 1pqy s GLN 50 CO 0.10 0.39 0.72 1.28 -2.12 0.00 0.00 175.29 175.66 1pqy n LEU 51 N 2.99 -2.82 -4.76 2.90 4.77 -1.26 -4.61 117.00 114.22 1pqy n LEU 51 Ca -0.12 -0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.14 1pqy n LEU 51 Cb 0.52 -2.84 0.02 0.00 -2.33 0.00 0.00 43.42 38.79 1pqy n LEU 51 CO 0.39 0.33 0.98 -0.13 -1.33 0.00 0.00 177.39 177.63 1pqy s ARG 52 N -5.79 3.42 -0.01 3.23 0.52 -1.26 -4.67 118.95 114.40 1pqy s ARG 52 Ca 0.36 2.22 0.10 0.00 -0.52 0.00 0.00 55.73 57.89 1pqy s ARG 52 Cb -0.16 -2.42 -0.13 0.00 0.52 0.00 0.00 34.95 32.76 1pqy s ARG 52 CO 0.44 -0.96 0.36 -0.40 0.02 0.00 0.00 175.30 174.77 1pqy n ASP 53 N -0.65 1.29 -3.98 0.23 5.75 -1.26 -4.94 116.55 113.00 1pqy n ASP 53 Ca 0.08 -0.45 -0.21 0.00 -0.01 0.00 0.00 54.79 54.20 1pqy n ASP 53 Cb 0.44 1.19 -0.16 0.00 -1.03 0.00 0.00 41.12 41.57 1pqy n ASP 53 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pqy s ILE 54 N -2.28 0.78 0.28 2.12 1.01 -1.26 -5.13 121.20 116.72 1pqy s ILE 54 Ca 0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 1pqy s ILE 54 Cb 0.07 -0.72 -0.11 0.00 0.01 0.00 0.00 42.46 41.72 1pqy s ILE 54 CO 0.43 0.26 1.53 -2.84 0.00 0.00 0.00 174.94 174.32 1pqy s PRO 55 N 0.43 4.18 0.00 2.79 0.02 -1.26 -3.38 135.00 137.77 1pqy s PRO 55 Ca -0.07 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1pqy s PRO 55 Cb -0.11 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1pqy s PRO 55 CO 0.01 -0.54 0.00 -0.25 -0.33 0.00 0.00 177.00 175.89 1pqy n ASP 56 N 2.08 -2.40 -4.53 2.53 8.00 -1.26 -4.99 116.55 115.98 1pqy n ASP 56 Ca 0.07 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.33 1pqy n ASP 56 Cb 0.39 -2.55 -0.09 0.00 -0.02 0.00 0.00 41.12 38.84 1pqy n ASP 56 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1pqy s ILE 57 N -1.30 2.84 0.14 0.53 -4.36 -1.22 -5.07 121.20 112.78 1pqy s ILE 57 Ca 0.00 -2.19 -0.34 0.00 -0.26 0.00 0.00 60.65 57.87 1pqy s ILE 57 Cb 0.00 -2.49 -0.16 0.00 1.25 0.00 0.00 42.46 41.05 1pqy s ILE 57 CO 0.00 -0.36 1.17 0.47 0.24 0.00 0.00 174.94 176.45 1pqy n ASP 58 N -0.64 1.21 -4.79 4.36 8.00 -1.26 -4.83 116.55 118.60 1pqy n ASP 58 Ca -0.06 1.14 -0.32 0.00 0.71 0.00 0.00 54.79 56.26 1pqy n ASP 58 Cb 0.59 -1.18 0.06 0.00 -0.02 0.00 0.00 41.12 40.57 1pqy n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pqy s ALA 59 N -0.07 2.49 0.48 2.24 0.00 -0.50 -4.85 121.76 121.56 1pqy s ALA 59 Ca 0.76 0.27 0.21 0.00 0.00 0.00 0.00 51.96 53.21 1pqy s ALA 59 Cb -0.91 -3.24 1.33 0.00 0.00 0.00 0.00 23.12 20.30 1pqy s ALA 59 CO 0.52 -1.38 2.09 -0.07 0.00 0.00 0.00 175.76 176.92 1pqy h LEU 60 N -0.59 0.00 -1.42 0.00 3.38 -1.86 0.45 115.31 115.27 1pqy h LEU 60 Ca -0.45 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.67 1pqy h LEU 60 Cb 1.23 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 1pqy h LEU 60 CO 0.54 0.10 0.55 0.22 0.09 0.00 0.00 178.44 179.95 1pqy h TYR 61 N 0.00 0.67 0.00 1.13 5.03 -1.81 -3.05 116.97 118.93 1pqy h TYR 61 Ca -0.00 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 1pqy h TYR 61 Cb 0.22 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1pqy h TYR 61 CO 0.00 0.24 -0.31 0.35 -1.32 0.00 0.00 178.16 177.12 1pqy h PHE 62 N 0.56 0.00 0.00 -3.82 3.57 -0.97 -3.35 116.94 112.93 1pqy h PHE 62 Ca 0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1pqy h PHE 62 Cb 0.80 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1pqy h PHE 62 CO -0.00 0.67 0.00 0.25 -2.23 0.00 0.00 178.31 177.00 1pqy n THR 63 N -4.63 0.00 0.00 4.41 -2.24 -0.84 -1.72 114.28 109.26 1pqy n THR 63 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1pqy n THR 63 Cb 0.35 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1pqy n THR 63 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pqy n LEU 65 N 1.78 0.00 -1.89 3.22 4.77 -1.26 -4.03 117.00 119.58 1pqy n LEU 65 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1pqy n LEU 65 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1pqy n LEU 65 CO 0.00 0.00 0.07 0.59 -1.33 0.00 0.00 177.39 176.72 1pqy n ASN 66 N 0.00 1.43 -4.78 -1.43 3.02 -0.70 -4.45 115.26 108.34 1pqy n ASN 66 Ca 0.00 -2.24 -0.36 0.00 -0.03 0.00 0.00 54.58 51.95 1pqy n ASN 66 Cb 0.00 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 1pqy n ASN 66 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pqy s SER 67 N -2.76 6.43 0.00 6.41 0.01 -1.26 -3.46 113.70 119.07 1pqy s SER 67 Ca 0.33 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1pqy s SER 67 Cb 0.37 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1pqy s SER 67 CO -0.11 -0.72 0.00 0.59 0.41 0.00 0.00 173.24 173.41 1pqy n ASN 68 N -0.43 -4.75 -4.96 2.44 3.02 -1.00 -4.85 115.26 104.73 1pqy n ASN 68 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 1pqy n ASN 68 Cb 0.50 -2.42 -0.01 0.00 -0.61 0.00 0.00 39.78 37.24 1pqy n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1pqy s LYS 69 N -1.27 3.37 0.21 3.52 1.02 -1.23 -4.67 119.74 120.70 1pqy s LYS 69 Ca 0.00 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.51 1pqy s LYS 69 Cb 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1pqy s LYS 69 CO 0.00 0.16 0.08 1.03 -0.92 0.00 0.00 175.35 175.70 1pqy s ARG 70 N -4.24 2.61 -0.04 1.68 0.52 -0.16 -4.08 118.95 115.24 1pqy s ARG 70 Ca 0.40 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1pqy s ARG 70 Cb -0.09 -2.42 0.01 0.00 0.52 0.00 0.00 34.95 32.97 1pqy s ARG 70 CO 0.34 0.42 -0.09 0.45 0.02 0.00 0.00 175.30 176.44 1pqy s SER 71 N -3.38 1.36 0.01 0.23 0.15 -1.26 -0.11 113.70 110.71 1pqy s SER 71 Ca 0.30 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.78 1pqy s SER 71 Cb -0.08 -0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 63.68 1pqy s SER 71 CO 0.21 0.03 -0.13 0.27 1.20 0.00 0.00 173.24 174.83 1pqy s ILE 72 N 0.52 0.99 -0.26 6.45 -4.36 -0.55 -0.30 121.20 123.70 1pqy s ILE 72 Ca -0.09 -0.74 -0.12 0.00 -0.26 0.00 0.00 60.65 59.44 1pqy s ILE 72 Cb -0.13 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.67 1pqy s ILE 72 CO 0.02 0.13 0.22 -1.61 0.24 0.00 0.00 174.94 173.94 1pqy s GLU 73 N -0.70 4.02 -0.03 0.37 2.02 -1.26 -1.17 118.70 121.95 1pqy s GLU 73 Ca 0.03 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1pqy s GLU 73 Cb -0.06 -3.61 0.03 0.00 0.10 0.00 0.00 34.13 30.59 1pqy s GLU 73 CO 0.00 -0.10 0.01 -1.17 0.02 0.00 0.00 175.26 174.02 1pqy s LEU 74 N 1.53 1.09 -0.65 1.80 2.96 -0.59 -4.88 118.68 119.94 1pqy s LEU 74 Ca 0.09 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.83 1pqy s LEU 74 Cb -0.15 -0.19 0.15 0.00 0.50 0.00 0.00 46.19 46.50 1pqy s LEU 74 CO 0.08 -0.12 0.65 0.21 -1.32 0.00 0.00 176.35 175.86 1pqy s ASN 75 N 1.10 6.36 0.36 3.68 3.84 -1.26 -4.56 114.94 124.46 1pqy s ASN 75 Ca -0.09 -1.95 0.26 0.00 0.21 0.00 0.00 52.86 51.30 1pqy s ASN 75 Cb -0.13 -2.24 1.26 0.00 -0.55 0.00 0.00 41.25 39.59 1pqy s ASN 75 CO -0.02 -0.86 1.80 0.00 -2.79 0.00 0.00 177.10 175.22 1pqy h THR 76 N 5.61 0.00 -0.07 -5.21 1.03 -1.98 -2.95 112.91 109.35 1pqy h THR 76 Ca -0.17 -0.15 -0.23 0.00 -0.01 0.00 0.00 66.41 65.85 1pqy h THR 76 Cb 1.08 0.84 0.01 0.00 -1.07 0.00 0.00 68.15 69.01 1pqy h THR 76 CO 0.99 0.00 -0.89 0.11 -0.01 0.00 0.00 175.52 175.71 1pqy h LYS 77 N 0.00 0.66 -7.29 0.00 6.56 -1.92 -3.35 116.57 111.22 1pqy h LYS 77 Ca 0.00 -0.62 -0.45 0.00 -1.06 0.00 0.00 60.65 58.52 1pqy h LYS 77 Cb 0.20 0.15 0.18 0.00 -0.57 0.00 0.00 32.23 32.19 1pqy h LYS 77 CO 0.00 1.22 0.14 0.95 -2.06 0.00 0.00 179.45 179.70 1pqy s THR 78 N -3.51 2.08 0.11 -0.16 -4.23 -1.11 -4.84 115.64 103.98 1pqy s THR 78 Ca -0.09 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1pqy s THR 78 Cb 0.08 -2.38 -0.15 0.00 1.34 0.00 0.00 72.50 71.39 1pqy s THR 78 CO 0.90 -0.03 1.32 0.00 -0.54 0.00 0.00 174.62 176.26 1pqy h ALA 79 N -2.11 0.34 -0.78 3.99 0.00 -1.88 -1.20 119.26 117.61 1pqy h ALA 79 Ca -0.56 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 53.74 1pqy h ALA 79 Cb 1.33 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1pqy h ALA 79 CO 0.55 0.70 0.51 0.93 0.00 0.00 0.00 179.25 181.93 1pqy h GLU 80 N 0.50 1.03 -0.23 0.00 3.07 -1.92 -0.43 114.58 116.60 1pqy h GLU 80 Ca -0.06 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 58.54 1pqy h GLU 80 Cb 1.42 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1pqy h GLU 80 CO 0.16 0.69 -0.63 0.78 -1.40 0.00 0.00 179.01 178.61 1pqy h GLY 81 N 1.06 0.89 1.03 -3.84 0.00 -1.64 -1.88 103.07 98.69 1pqy h GLY 81 Ca 0.28 -1.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 1pqy h GLY 81 CO -0.06 0.99 0.44 0.50 0.00 0.00 0.00 176.54 178.41 1pqy h LYS 82 N 0.60 1.22 -0.24 4.80 1.57 -0.84 -2.65 116.57 121.03 1pqy h LYS 82 Ca -0.01 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.46 1pqy h LYS 82 Cb 1.23 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1pqy h LYS 82 CO 0.13 0.92 -0.45 1.49 -0.57 0.00 0.00 179.45 180.97 1pqy h GLU 83 N 1.21 0.61 -1.39 3.15 4.81 -0.96 -2.65 114.58 119.36 1pqy h GLU 83 Ca 0.30 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1pqy h GLU 83 Cb 0.08 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1pqy h GLU 83 CO -0.04 0.94 0.00 0.28 -0.73 0.00 0.00 179.01 179.45 1pqy n VAL 84 N -4.01 0.40 0.00 0.32 0.31 -0.72 -2.77 118.33 111.87 1pqy n VAL 84 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1pqy n VAL 84 Cb 0.55 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1pqy n VAL 84 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1pqy n GLU 86 N 0.70 0.00 -0.17 5.55 2.13 -1.00 -1.27 120.64 126.57 1pqy n GLU 86 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1pqy n GLU 86 Cb 0.22 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.05 1pqy n GLU 86 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1pqy h LYS 87 N 0.00 0.94 -0.08 5.31 1.57 -1.81 -1.71 116.57 120.80 1pqy h LYS 87 Ca 0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1pqy h LYS 87 Cb 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1pqy h LYS 87 CO 0.00 0.87 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.68 1pqy h LEU 88 N 0.89 0.14 -1.08 2.94 3.38 -1.48 -3.06 115.31 117.03 1pqy h LEU 88 Ca 0.18 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1pqy h LEU 88 Cb 0.39 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1pqy h LEU 88 CO 0.01 0.42 0.62 0.40 0.09 0.00 0.00 178.44 179.98 1pqy h ILE 89 N -0.15 1.03 -0.28 1.22 2.04 -1.79 -1.60 117.51 117.97 1pqy h ILE 89 Ca 0.02 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1pqy h ILE 89 Cb 0.35 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1pqy h ILE 89 CO 0.00 0.19 -0.00 0.03 0.00 0.00 0.00 178.15 178.37 1pqy h ARG 90 N 1.05 0.43 0.00 2.37 3.08 -1.26 -3.03 114.38 117.02 1pqy h ARG 90 Ca 0.43 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1pqy h ARG 90 Cb 0.28 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1pqy h ARG 90 CO -0.18 0.46 -0.83 0.39 -1.07 0.00 0.00 179.97 178.74 1pqy n GLU 91 N -4.31 0.16 -2.72 0.04 -0.58 -0.83 -4.90 120.64 107.50 1pqy n GLU 91 Ca 0.01 0.01 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 1pqy n GLU 91 Cb 0.22 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.48 1pqy n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pqy s ALA 92 N -3.11 3.14 -0.20 0.62 0.00 -0.67 -4.85 121.76 116.70 1pqy s ALA 92 Ca 0.07 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.28 1pqy s ALA 92 Cb 0.15 -3.01 -0.22 0.00 0.00 0.00 0.00 23.12 20.05 1pqy s ALA 92 CO 0.77 0.01 0.03 -0.25 0.00 0.00 0.00 175.76 176.32 1pqy n ASP 93 N -1.04 1.14 -3.87 0.00 8.00 -0.16 -4.55 116.55 116.07 1pqy n ASP 93 Ca 0.06 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.44 1pqy n ASP 93 Cb 0.54 0.11 -0.13 0.00 -0.02 0.00 0.00 41.12 41.62 1pqy n ASP 93 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pqy s ILE 94 N -2.52 0.01 -0.08 0.53 1.01 -0.68 -1.51 121.20 117.97 1pqy s ILE 94 Ca -0.21 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1pqy s ILE 94 Cb 0.08 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.47 1pqy s ILE 94 CO 0.73 -0.05 -0.14 -0.22 0.00 0.00 0.00 174.94 175.26 1pqy s LEU 95 N -0.14 1.69 -0.03 2.97 0.20 -0.65 0.14 118.68 122.86 1pqy s LEU 95 Ca -0.02 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.49 1pqy s LEU 95 Cb -0.01 -0.94 -0.00 0.00 -0.43 0.00 0.00 46.19 44.80 1pqy s LEU 95 CO -0.00 0.04 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.27 1pqy s VAL 96 N 0.72 1.20 0.00 1.68 1.01 0.02 -0.12 120.40 124.91 1pqy s VAL 96 Ca -0.13 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1pqy s VAL 96 Cb -0.16 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1pqy s VAL 96 CO 0.03 0.35 0.24 -1.83 0.00 0.00 0.00 175.10 173.89 1pqy s GLU 97 N -0.01 0.62 -0.28 2.72 4.04 -0.77 -0.81 118.70 124.21 1pqy s GLU 97 Ca -0.01 -0.33 0.21 0.00 0.04 0.00 0.00 54.97 54.87 1pqy s GLU 97 Cb -0.09 0.27 0.49 0.00 0.02 0.00 0.00 34.13 34.81 1pqy s GLU 97 CO 0.01 -0.17 1.09 0.27 -1.84 0.00 0.00 175.26 174.63 1pqy n ASN 98 N 1.22 1.33 -4.74 0.83 6.94 -1.26 -1.60 115.26 117.98 1pqy n ASN 98 Ca -0.22 -2.22 -0.32 0.00 -0.02 0.00 0.00 54.58 51.80 1pqy n ASN 98 Cb 0.56 -0.41 0.10 0.00 -2.36 0.00 0.00 39.78 37.67 1pqy n ASN 98 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1pqy s PHE 99 N -3.37 2.26 0.78 -2.53 0.40 -1.26 -4.85 117.98 109.42 1pqy s PHE 99 Ca 0.26 1.62 -0.11 0.00 -0.60 0.00 0.00 56.93 58.10 1pqy s PHE 99 Cb 0.36 -3.24 0.06 0.00 0.51 0.00 0.00 43.02 40.72 1pqy s PHE 99 CO -0.02 -2.17 1.10 -1.01 0.70 0.00 0.00 175.22 173.81 1pqy s HIS 100 N -2.48 2.49 0.49 0.36 3.76 -1.26 -4.84 115.29 113.81 1pqy s HIS 100 Ca 0.67 1.58 0.32 0.00 -0.15 0.00 0.00 55.06 57.48 1pqy s HIS 100 Cb -0.22 -3.08 1.43 0.00 1.11 0.00 0.00 32.58 31.82 1pqy s HIS 100 CO 0.50 -1.89 1.74 -1.35 -0.85 0.00 0.00 174.74 172.89 1pqy h PRO 101 N -1.16 0.12 -5.18 8.40 0.11 -1.86 -3.52 132.00 128.91 1pqy h PRO 101 Ca -0.44 -0.01 -0.67 0.00 0.11 0.00 0.00 66.00 65.00 1pqy h PRO 101 Cb 1.24 -0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 1pqy h PRO 101 CO 0.50 0.08 0.03 0.20 -0.21 0.00 0.00 178.00 178.61 1pqy s GLY 102 N -3.97 1.77 -0.61 -0.55 0.00 -1.26 -5.06 107.32 97.63 1pqy s GLY 102 Ca -0.06 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 43.29 1pqy s GLY 102 CO 0.82 1.44 1.14 0.61 0.00 0.00 0.00 173.10 177.10 1pqy n GLY 108 N 5.09 5.77 3.47 0.20 0.00 -1.26 -5.16 105.19 113.29 1pqy n GLY 108 Ca -0.04 -2.75 -0.43 0.00 0.00 0.00 0.00 46.02 42.80 1pqy n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pqy s PHE 109 N -3.62 2.94 0.64 1.61 0.40 -1.26 -4.96 117.98 113.73 1pqy s PHE 109 Ca 0.48 -1.14 -0.07 0.00 -0.60 0.00 0.00 56.93 55.59 1pqy s PHE 109 Cb 0.30 -4.35 0.02 0.00 0.51 0.00 0.00 43.02 39.51 1pqy s PHE 109 CO -0.16 -1.59 0.97 0.95 0.70 0.00 0.00 175.22 176.09 1pqy s THR 110 N 3.31 3.34 0.46 0.64 -4.23 -1.26 -4.85 115.64 113.05 1pqy s THR 110 Ca 0.33 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 61.05 1pqy s THR 110 Cb -0.06 -3.37 0.32 0.00 1.34 0.00 0.00 72.50 70.72 1pqy s THR 110 CO -0.06 -0.42 2.01 -0.25 -0.54 0.00 0.00 174.62 175.37 1pqy h TRP 111 N -0.38 0.33 0.14 3.99 -0.00 -1.99 0.10 115.95 118.13 1pqy h TRP 111 Ca -0.45 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.44 1pqy h TRP 111 Cb 1.27 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 1pqy h TRP 111 CO 0.45 0.17 -0.07 0.93 -0.00 0.00 0.00 178.44 179.92 1pqy h GLU 112 N 0.32 -0.18 -0.80 2.65 4.39 -1.99 -2.91 114.58 116.05 1pqy h GLU 112 Ca 0.22 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 1pqy h GLU 112 Cb 0.46 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1pqy h GLU 112 CO -0.05 0.14 0.39 1.25 -1.16 0.00 0.00 179.01 179.58 1pqy h HIS 113 N -0.52 1.14 -0.84 4.33 -0.00 -1.74 -2.71 115.15 114.82 1pqy h HIS 113 Ca -0.02 -0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.38 1pqy h HIS 113 Cb 0.40 -0.36 -0.07 0.00 -0.00 0.00 0.00 27.41 27.39 1pqy h HIS 113 CO 0.03 0.83 0.51 0.82 -0.00 0.00 0.00 177.93 180.11 1pqy h ILE 114 N 1.13 0.97 -0.04 6.26 2.04 -0.99 0.43 117.51 127.31 1pqy h ILE 114 Ca 0.27 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1pqy h ILE 114 Cb 0.11 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1pqy h ILE 114 CO -0.04 0.16 -0.49 1.56 0.00 0.00 0.00 178.15 179.35 1pqy h GLN 115 N 0.88 0.11 -0.49 2.37 4.20 -1.34 0.52 115.11 121.37 1pqy h GLN 115 Ca 0.39 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.92 1pqy h GLN 115 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1pqy h GLN 115 CO -0.21 0.58 -0.16 1.49 -0.67 0.00 0.00 178.83 179.85 1pqy h GLU 116 N 0.09 0.96 0.05 1.46 4.57 -0.96 -2.70 114.58 118.06 1pqy h GLU 116 Ca 0.00 -0.38 -0.19 0.00 -1.18 0.00 0.00 59.36 57.62 1pqy h GLU 116 Cb 0.90 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.45 1pqy h GLU 116 CO 0.07 1.04 -0.77 0.82 -1.18 0.00 0.00 179.01 178.99 1pqy h ILE 117 N 0.84 1.42 -2.43 2.32 2.04 -0.40 -3.42 117.51 117.89 1pqy h ILE 117 Ca 0.12 -2.26 -0.52 0.00 1.00 0.00 0.00 64.86 63.20 1pqy h ILE 117 Cb 0.72 2.76 -0.37 0.00 -0.74 0.00 0.00 36.82 39.20 1pqy h ILE 117 CO 0.06 0.66 -0.80 0.21 0.00 0.00 0.00 178.15 178.27 1pqy s ASN 118 N -6.93 2.52 0.20 1.72 3.84 0.18 -4.80 114.94 111.68 1pqy s ASN 118 Ca -0.13 -1.94 0.15 0.00 0.21 0.00 0.00 52.86 51.15 1pqy s ASN 118 Cb 0.03 -0.13 0.77 0.00 -0.55 0.00 0.00 41.25 41.37 1pqy s ASN 118 CO 0.84 -0.31 1.45 -2.65 -2.79 0.00 0.00 177.10 173.65 1pqy n PRO 119 N 4.21 0.09 0.00 0.43 -0.02 -1.02 -1.76 135.00 136.93 1pqy n PRO 119 Ca 0.10 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 1pqy n PRO 119 Cb 0.40 -1.79 0.06 0.00 -0.02 0.00 0.00 33.50 32.14 1pqy n PRO 119 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1pqy n ARG 120 N -1.99 0.64 -2.30 -0.52 1.74 -1.26 -1.41 116.66 111.57 1pqy n ARG 120 Ca -0.01 -0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 56.16 1pqy n ARG 120 Cb 0.04 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1pqy n ARG 120 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1pqy s LEU 121 N -2.70 4.42 -0.26 0.55 0.20 -0.72 -3.42 118.68 116.75 1pqy s LEU 121 Ca 0.16 2.29 -0.09 0.00 0.69 0.00 0.00 54.13 57.18 1pqy s LEU 121 Cb 0.18 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.29 1pqy s LEU 121 CO 0.67 -0.47 0.13 -0.63 -0.29 0.00 0.00 176.35 175.75 1pqy s ILE 122 N 0.21 4.76 -0.30 6.68 1.01 -0.57 -2.84 121.20 130.16 1pqy s ILE 122 Ca 0.56 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.06 1pqy s ILE 122 Cb -0.34 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1pqy s ILE 122 CO 0.36 0.29 0.27 0.12 0.00 0.00 0.00 174.94 175.98 1pqy s PHE 123 N 1.68 3.23 -0.17 3.97 2.19 0.45 -1.64 117.98 127.69 1pqy s PHE 123 Ca 0.07 0.11 -0.04 0.00 0.33 0.00 0.00 56.93 57.40 1pqy s PHE 123 Cb -0.16 -2.49 -0.03 0.00 -1.31 0.00 0.00 43.02 39.04 1pqy s PHE 123 CO 0.07 -0.25 -0.03 0.20 1.83 0.00 0.00 175.22 177.04 1pqy s GLY 124 N 1.72 1.72 -0.04 13.12 0.00 0.83 0.10 107.32 124.77 1pqy s GLY 124 Ca 0.09 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1pqy s GLY 124 CO 0.11 0.01 -0.04 -0.45 0.00 0.00 0.00 173.10 172.72 1pqy s SER 125 N 0.52 0.89 -0.12 1.64 0.15 0.04 -1.84 113.70 114.99 1pqy s SER 125 Ca -0.03 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.49 1pqy s SER 125 Cb -0.14 -0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1pqy s SER 125 CO 0.03 -0.05 -0.07 -0.63 1.20 0.00 0.00 173.24 173.72 1pqy s ILE 126 N 0.86 3.62 0.24 6.45 1.01 -0.63 -4.31 121.20 128.45 1pqy s ILE 126 Ca -0.12 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1pqy s ILE 126 Cb -0.14 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1pqy s ILE 126 CO 0.00 0.53 0.10 -0.54 0.00 0.00 0.00 174.94 175.04 1pqy s LYS 127 N -0.01 1.35 0.10 2.79 -0.14 -1.26 -4.30 119.74 118.27 1pqy s LYS 127 Ca -0.01 -1.72 -0.10 0.00 -1.36 0.00 0.00 55.97 52.78 1pqy s LYS 127 Cb -0.14 -0.13 -0.16 0.00 -1.68 0.00 0.00 37.83 35.73 1pqy s LYS 127 CO 0.03 -0.31 1.26 0.78 -0.76 0.00 0.00 175.35 176.35 1pqy h GLY 128 N 2.45 0.70 -2.86 -3.33 0.00 -1.90 -3.35 103.07 94.78 1pqy h GLY 128 Ca -0.38 -1.16 -0.25 0.00 0.00 0.00 0.00 47.33 45.55 1pqy h GLY 128 CO 0.59 1.02 -0.68 -1.36 0.00 0.00 0.00 176.54 176.12 1pqy s PHE 129 N -3.42 1.04 0.79 5.60 0.08 -1.26 -2.04 117.98 118.77 1pqy s PHE 129 Ca -0.09 -0.99 -0.12 0.00 0.12 0.00 0.00 56.93 55.85 1pqy s PHE 129 Cb 0.08 -0.60 0.07 0.00 -0.57 0.00 0.00 43.02 42.01 1pqy s PHE 129 CO 0.90 -0.21 1.14 -0.51 -0.10 0.00 0.00 175.22 176.45 1pqy s ASP 130 N -3.11 3.99 0.33 1.36 1.01 -1.26 -4.82 116.67 114.17 1pqy s ASP 130 Ca 0.19 2.11 0.05 0.00 0.71 0.00 0.00 52.55 55.61 1pqy s ASP 130 Cb 0.06 -2.56 0.69 0.00 1.01 0.00 0.00 42.92 42.12 1pqy s ASP 130 CO -0.00 -2.39 1.88 -0.08 0.21 0.00 0.00 175.17 174.79 1pqy h GLU 131 N -0.98 0.81 -0.37 8.23 4.81 -2.01 -1.48 114.58 123.60 1pqy h GLU 131 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1pqy h GLU 131 Cb 1.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1pqy h GLU 131 CO 0.48 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 179.30 1pqy s SER 133 N -1.24 6.70 0.23 0.00 0.15 -0.56 -4.93 113.70 114.05 1pqy s SER 133 Ca 0.33 1.94 0.23 0.00 0.70 0.00 0.00 55.95 59.15 1pqy s SER 133 Cb 0.18 -2.57 0.94 0.00 -1.71 0.00 0.00 66.02 62.86 1pqy s SER 133 CO 0.24 -0.53 1.70 -0.81 1.20 0.00 0.00 173.24 175.04 1pqy n PRO 134 N -0.39 0.18 -0.56 5.44 -0.04 -1.26 -1.96 135.00 136.41 1pqy n PRO 134 Ca 0.06 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 1pqy n PRO 134 Cb 0.51 -1.83 0.35 0.00 -0.04 0.00 0.00 33.50 32.49 1pqy n PRO 134 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pqy n TYR 135 N -2.17 1.38 -0.36 0.54 4.02 -1.26 -4.66 117.16 114.65 1pqy n TYR 135 Ca 0.03 -0.60 0.26 0.00 -0.01 0.00 0.00 57.90 57.58 1pqy n TYR 135 Cb 0.24 -0.20 0.51 0.00 -0.02 0.00 0.00 39.34 39.87 1pqy n TYR 135 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1pqy h VAL 136 N 4.04 0.32 -0.30 -0.72 3.04 -1.62 0.61 116.25 121.62 1pqy h VAL 136 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1pqy h VAL 136 Cb 1.37 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1pqy h VAL 136 CO 0.19 0.06 0.00 0.59 -1.01 0.00 0.00 177.57 177.39 1pqy n ASN 137 N -4.88 2.86 -4.71 3.17 3.02 -1.26 -4.75 115.26 108.70 1pqy n ASN 137 Ca 0.31 -1.91 -0.41 0.00 -0.03 0.00 0.00 54.58 52.55 1pqy n ASN 137 Cb 1.04 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.98 1pqy n ASN 137 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pqy s VAL 138 N -1.62 4.97 0.57 2.41 1.01 0.20 -4.77 120.40 123.18 1pqy s VAL 138 Ca 0.36 1.68 -0.20 0.00 0.00 0.00 0.00 61.98 63.83 1pqy s VAL 138 Cb 0.21 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1pqy s VAL 138 CO 0.30 0.20 1.20 -0.54 0.00 0.00 0.00 175.10 176.25 1pqy s LYS 139 N 1.01 3.14 -0.01 2.72 1.02 -1.26 -4.78 119.74 121.58 1pqy s LYS 139 Ca 0.43 1.81 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1pqy s LYS 139 Cb -0.19 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.11 1pqy s LYS 139 CO 0.21 -1.07 0.01 0.00 -0.92 0.00 0.00 175.35 173.58 1pqy s ALA 140 N -1.60 0.05 0.30 5.17 0.00 -1.26 -5.04 121.76 119.38 1pqy s ALA 140 Ca 0.75 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1pqy s ALA 140 Cb -0.30 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1pqy s ALA 140 CO 0.33 -0.03 -0.11 0.71 0.00 0.00 0.00 175.76 176.66 1pqy s TYR 141 N 0.35 2.20 0.01 0.00 1.51 -1.26 -4.95 117.35 115.21 1pqy s TYR 141 Ca -0.03 -0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1pqy s TYR 141 Cb -0.04 -1.18 -0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1pqy s TYR 141 CO -0.01 0.51 0.16 -1.91 -1.11 0.00 0.00 175.55 173.19 1pqy n GLU 142 N -0.67 -0.02 0.26 -0.62 4.07 -1.26 -0.11 120.64 122.28 1pqy n GLU 142 Ca -0.05 0.16 0.15 0.00 -0.06 0.00 0.00 57.16 57.35 1pqy n GLU 142 Cb 0.63 -0.23 0.56 0.00 -0.06 0.00 0.00 31.44 32.33 1pqy n GLU 142 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1pqy h ASN 143 N 0.00 0.00 -0.45 4.31 2.35 -1.96 -2.80 115.58 117.03 1pqy h ASN 143 Ca 0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1pqy h ASN 143 Cb 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1pqy h ASN 143 CO -0.05 0.06 0.09 0.58 -1.65 0.00 0.00 177.43 176.47 1pqy h VAL 144 N 0.00 1.24 -0.56 2.81 2.07 -0.91 -2.13 116.25 118.77 1pqy h VAL 144 Ca -0.00 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1pqy h VAL 144 Cb 0.64 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1pqy h VAL 144 CO 0.01 0.30 0.02 0.00 0.02 0.00 0.00 177.57 177.92 1pqy h ALA 145 N 0.96 0.99 -0.28 1.67 0.00 -1.32 -1.88 119.26 119.40 1pqy h ALA 145 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1pqy h ALA 145 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1pqy h ALA 145 CO 0.00 0.62 -0.01 1.96 0.00 0.00 0.00 179.25 181.83 1pqy h GLN 146 N 0.87 0.43 -0.07 0.00 4.20 -1.24 0.27 115.11 119.57 1pqy h GLN 146 Ca 0.16 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 1pqy h GLN 146 Cb 0.48 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.20 1pqy h GLN 146 CO 0.02 0.47 -0.37 0.00 -0.67 0.00 0.00 178.83 178.28 1pqy h ALA 147 N 1.58 0.14 0.00 3.87 0.00 -1.09 -1.98 119.26 121.78 1pqy h ALA 147 Ca 0.09 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1pqy h ALA 147 Cb 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pqy h ALA 147 CO 0.01 0.24 -0.16 0.00 0.00 0.00 0.00 179.25 179.33 1pqy h ALA 148 N 0.43 0.97 -0.00 0.00 0.00 -1.12 -3.24 119.26 116.29 1pqy h ALA 148 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pqy h ALA 148 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1pqy h ALA 148 CO 0.08 0.20 -0.24 0.41 0.00 0.00 0.00 179.25 179.70 1pqy n GLY 149 N 0.41 -0.87 0.09 0.00 0.00 0.95 -4.95 105.19 100.83 1pqy n GLY 149 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1pqy n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqy n GLY 150 N 1.36 0.11 0.15 -0.02 0.00 -1.21 -3.67 105.19 101.91 1pqy n GLY 150 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1pqy n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqy h ALA 151 N 0.00 -0.28 -0.57 4.61 0.00 -1.72 -3.10 119.26 118.21 1pqy h ALA 151 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1pqy h ALA 151 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1pqy h ALA 151 CO 0.00 -0.44 0.23 0.00 0.00 0.00 0.00 179.25 179.05 1pqy h ALA 152 N -0.08 0.73 -0.77 0.00 0.00 -1.54 -1.44 119.26 116.15 1pqy h ALA 152 Ca -0.03 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1pqy h ALA 152 Cb 0.49 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1pqy h ALA 152 CO 0.05 -0.16 0.51 1.03 0.00 0.00 0.00 179.25 180.67 1pqy h SER 153 N 0.44 0.52 -0.47 0.00 0.87 -1.82 -2.60 113.55 110.49 1pqy h SER 153 Ca 0.28 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1pqy h SER 153 Cb 0.29 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1pqy h SER 153 CO -0.26 0.29 0.00 0.35 -0.53 0.00 0.00 176.83 176.68 1pqy n THR 154 N -4.50 1.15 -4.81 2.23 -2.24 -0.81 -4.29 114.28 101.00 1pqy n THR 154 Ca 0.14 -1.07 -0.33 0.00 -2.27 0.00 0.00 64.05 60.52 1pqy n THR 154 Cb 0.43 0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.93 1pqy n THR 154 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pqy s THR 155 N -1.18 2.70 -0.21 4.28 2.01 -0.61 -4.43 115.64 118.20 1pqy s THR 155 Ca 0.33 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1pqy s THR 155 Cb 0.19 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1pqy s THR 155 CO 0.21 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 1pqy n GLY 156 N 3.68 0.57 3.86 4.40 0.00 -1.26 -0.74 105.19 115.69 1pqy n GLY 156 Ca -0.19 -2.27 -0.27 0.00 0.00 0.00 0.00 46.02 43.29 1pqy n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pqy s PHE 157 N -0.13 3.32 0.53 1.61 0.40 -1.26 -0.34 117.98 122.10 1pqy s PHE 157 Ca 0.00 0.07 0.27 0.00 -0.60 0.00 0.00 56.93 56.67 1pqy s PHE 157 Cb 0.00 -1.61 1.64 0.00 0.51 0.00 0.00 43.02 43.56 1pqy s PHE 157 CO 0.00 0.53 2.18 0.11 0.70 0.00 0.00 175.22 178.74 1pqy h TRP 158 N 2.49 0.00 -0.39 0.36 0.09 -1.94 -1.71 115.95 114.85 1pqy h TRP 158 Ca -0.48 0.00 -0.08 0.00 0.09 0.00 0.00 58.89 58.42 1pqy h TRP 158 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.38 1pqy h TRP 158 CO 0.57 0.04 0.04 -0.40 0.09 0.00 0.00 178.44 178.78 1pqy n ASP 159 N -3.86 3.85 -4.29 0.11 3.85 -1.26 -4.95 116.55 110.00 1pqy n ASP 159 Ca -0.03 -3.22 -0.25 0.00 -0.71 0.00 0.00 54.79 50.59 1pqy n ASP 159 Cb 0.13 -0.61 -0.09 0.00 -1.35 0.00 0.00 41.12 39.20 1pqy n ASP 159 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1pqy s GLY 160 N -1.84 2.46 0.84 6.12 0.00 -0.64 -5.16 107.32 109.10 1pqy s GLY 160 Ca 0.46 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.61 1pqy s GLY 160 CO 0.08 -1.86 1.19 2.56 0.00 0.00 0.00 173.10 175.08 1pqy s PRO 161 N -3.79 1.71 0.41 2.90 0.04 -1.26 -4.74 135.00 130.26 1pqy s PRO 161 Ca 0.26 0.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.10 1pqy s PRO 161 Cb 0.05 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 1pqy s PRO 161 CO 0.14 -1.76 1.47 -2.14 0.04 0.00 0.00 177.00 174.74 1pqy s PRO 162 N -5.59 3.93 -0.08 0.56 0.02 -1.26 -4.58 135.00 128.00 1pqy s PRO 162 Ca 0.64 2.52 0.03 0.00 0.02 0.00 0.00 61.00 64.20 1pqy s PRO 162 Cb -0.10 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.56 1pqy s PRO 162 CO 0.50 -0.66 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.85 1pqy s LEU 163 N -2.36 2.61 0.42 -5.54 1.43 0.08 -4.99 118.68 110.34 1pqy s LEU 163 Ca 0.56 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.15 1pqy s LEU 163 Cb -0.45 -1.54 -0.11 0.00 0.03 0.00 0.00 46.19 44.11 1pqy s LEU 163 CO 0.61 0.26 0.94 -0.69 0.23 0.00 0.00 176.35 177.70 1pqy s VAL 164 N -0.24 4.40 0.00 -1.59 1.01 -1.26 -4.20 120.40 118.52 1pqy s VAL 164 Ca 0.01 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 1pqy s VAL 164 Cb -0.13 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1pqy s VAL 164 CO 0.03 -0.31 0.18 -0.55 0.00 0.00 0.00 175.10 174.45 1pqy s SER 165 N -2.17 6.32 0.26 3.32 0.15 -1.26 -5.01 113.70 115.31 1pqy s SER 165 Ca 0.61 0.32 0.02 0.00 0.70 0.00 0.00 55.95 57.60 1pqy s SER 165 Cb -0.09 -1.97 0.35 0.00 -1.71 0.00 0.00 66.02 62.59 1pqy s SER 165 CO 0.13 0.25 1.67 0.00 1.20 0.00 0.00 173.24 176.50 1pqy h ALA 166 N 3.73 1.02 -2.90 5.45 0.00 -2.05 -3.44 119.26 121.07 1pqy h ALA 166 Ca -0.48 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 53.51 1pqy h ALA 166 Cb 1.18 -0.11 0.09 0.00 0.00 0.00 0.00 17.79 18.94 1pqy h ALA 166 CO 0.70 0.59 0.73 0.00 0.00 0.00 0.00 179.25 181.27 1pqy s ALA 167 N -4.37 3.56 -1.25 0.00 0.00 -1.26 -4.85 121.76 113.58 1pqy s ALA 167 Ca -0.07 1.43 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 1pqy s ALA 167 Cb 0.13 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1pqy s ALA 167 CO 0.80 -0.87 2.09 0.00 0.00 0.00 0.00 175.76 177.79 1pqy n ALA 168 N 0.83 4.63 0.21 0.00 0.00 -1.26 -4.67 120.51 120.25 1pqy n ALA 168 Ca 0.01 -3.69 0.05 0.00 0.00 0.00 0.00 53.44 49.81 1pqy n ALA 168 Cb 0.40 -3.57 0.50 0.00 0.00 0.00 0.00 19.45 16.78 1pqy n ALA 168 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pqy h LEU 169 N 11.54 0.04 0.00 0.00 3.38 -1.88 -1.36 115.31 127.02 1pqy h LEU 169 Ca 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1pqy h LEU 169 Cb 0.68 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1pqy h LEU 169 CO 1.85 0.19 -1.01 0.61 0.09 0.00 0.00 178.44 180.17 1pqy n GLY 170 N -1.06 -1.24 0.00 0.83 0.00 -1.26 -4.04 105.19 98.42 1pqy n GLY 170 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1pqy n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pqy n ASP 171 N -2.03 0.00 -0.27 1.61 8.00 -1.09 -4.29 116.55 118.48 1pqy n ASP 171 Ca 0.02 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.60 1pqy n ASP 171 Cb 0.45 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.77 1pqy n ASP 171 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1pqy h SER 172 N 0.00 0.16 -0.78 -2.24 0.02 -1.81 0.75 113.55 109.65 1pqy h SER 172 Ca 0.00 0.14 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 1pqy h SER 172 Cb 0.00 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1pqy h SER 172 CO 0.00 0.00 0.44 -1.13 -1.14 0.00 0.00 176.83 175.00 1pqy h ASN 173 N 0.35 0.63 0.04 3.07 -1.24 -1.47 0.14 115.58 117.10 1pqy h ASN 173 Ca 0.46 0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.42 1pqy h ASN 173 Cb 0.80 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 1pqy h ASN 173 CO -0.50 0.37 -0.30 0.74 -1.29 0.00 0.00 177.43 176.45 1pqy h THR 174 N 0.75 1.27 0.00 -3.57 2.02 -0.14 -2.41 112.91 110.83 1pqy h THR 174 Ca 0.37 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1pqy h THR 174 Cb 0.32 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1pqy h THR 174 CO -0.24 0.41 0.00 0.61 0.37 0.00 0.00 175.52 176.67 1pqy n GLY 175 N -0.35 0.51 1.71 2.16 0.00 0.21 -1.73 105.19 107.71 1pqy n GLY 175 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pqy n GLY 175 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pqy n HIS 177 N 0.67 0.00 -0.22 1.61 8.25 -0.91 -1.12 115.22 123.49 1pqy n HIS 177 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1pqy n HIS 177 Cb 0.11 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 1pqy n HIS 177 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1pqy h LEU 178 N 0.00 1.06 -0.60 2.41 5.85 -1.62 -2.05 115.31 120.36 1pqy h LEU 178 Ca 0.00 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1pqy h LEU 178 Cb 0.00 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 1pqy h LEU 178 CO 0.00 1.09 0.28 0.25 -0.34 0.00 0.00 178.44 179.72 1pqy h LEU 179 N 1.01 0.37 -0.33 2.25 5.85 -1.39 0.15 115.31 123.22 1pqy h LEU 179 Ca 0.19 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1pqy h LEU 179 Cb 0.51 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1pqy h LEU 179 CO 0.02 0.24 0.09 0.40 -0.34 0.00 0.00 178.44 178.86 1pqy h ILE 180 N 0.52 0.88 -0.76 4.05 2.04 -1.72 -1.00 117.51 121.52 1pqy h ILE 180 Ca 0.28 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1pqy h ILE 180 Cb 0.25 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1pqy h ILE 180 CO -0.22 0.04 0.48 1.23 0.00 0.00 0.00 178.15 179.68 1pqy h GLY 181 N 0.23 1.09 1.02 5.37 0.00 -0.50 -0.99 103.07 109.29 1pqy h GLY 181 Ca 0.15 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1pqy h GLY 181 CO -0.17 0.42 0.23 1.41 0.00 0.00 0.00 176.54 178.42 1pqy h LEU 182 N 1.04 0.93 -0.53 3.11 3.38 -0.25 -0.06 115.31 122.93 1pqy h LEU 182 Ca 0.28 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1pqy h LEU 182 Cb -0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1pqy h LEU 182 CO -0.06 0.87 -0.30 -0.07 0.09 0.00 0.00 178.44 178.97 1pqy h LEU 183 N 0.93 0.90 -1.11 1.67 3.38 -0.95 -1.42 115.31 118.72 1pqy h LEU 183 Ca 0.21 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1pqy h LEU 183 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1pqy h LEU 183 CO -0.01 1.13 -0.20 0.00 0.09 0.00 0.00 178.44 179.45 1pqy h ALA 184 N 0.92 1.26 0.00 1.53 0.00 -0.91 -1.62 119.26 120.43 1pqy h ALA 184 Ca 0.08 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1pqy h ALA 184 Cb 0.86 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1pqy h ALA 184 CO 0.08 0.49 -0.61 0.00 0.00 0.00 0.00 179.25 179.21 1pqy h ALA 185 N 1.44 0.98 -0.28 0.00 0.00 -0.66 -0.37 119.26 120.37 1pqy h ALA 185 Ca 0.06 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1pqy h ALA 185 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pqy h ALA 185 CO 0.04 0.76 -0.48 -0.07 0.00 0.00 0.00 179.25 179.49 1pqy h LEU 186 N 0.00 0.84 -0.67 0.00 3.38 -0.71 0.47 115.31 118.63 1pqy h LEU 186 Ca -0.01 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 1pqy h LEU 186 Cb 1.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1pqy h LEU 186 CO 0.08 1.18 -0.15 -0.07 0.09 0.00 0.00 178.44 179.57 1pqy h LEU 187 N 0.61 0.88 -0.31 1.67 3.38 -1.05 -2.83 115.31 117.65 1pqy h LEU 187 Ca 0.03 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1pqy h LEU 187 Cb 1.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1pqy h LEU 187 CO 0.10 1.03 0.01 -0.74 0.09 0.00 0.00 178.44 178.93 1pqy h HIS 188 N 0.77 0.60 -0.23 1.13 2.76 -0.82 -2.72 115.15 116.64 1pqy h HIS 188 Ca 0.12 -0.10 0.07 0.00 -2.20 0.00 0.00 60.37 58.26 1pqy h HIS 188 Cb 0.68 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1pqy h HIS 188 CO 0.04 0.67 0.20 -0.09 -1.30 0.00 0.00 177.93 177.44 1pqy h ARG 189 N 0.35 0.00 0.00 5.26 2.43 -0.78 0.66 114.38 122.30 1pqy h ARG 189 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1pqy h ARG 189 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1pqy h ARG 189 CO 0.01 0.00 0.00 1.49 -1.51 0.00 0.00 179.97 179.96 1pqy h GLU 190 N 0.00 0.00 0.00 0.20 4.57 -1.23 0.25 114.58 118.37 1pqy h GLU 190 Ca 0.11 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 1pqy h GLU 190 Cb 0.51 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1pqy h GLU 190 CO -0.00 0.00 -1.51 1.63 -1.18 0.00 0.00 179.01 177.95 1pqy n LYS 191 N -2.83 2.43 -0.01 1.92 5.02 0.17 -4.65 118.16 120.21 1pqy n LYS 191 Ca -0.01 -0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1pqy n LYS 191 Cb 0.13 -1.20 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 1pqy n LYS 191 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pqy n THR 192 N -2.22 0.00 -1.16 -0.18 -2.24 -0.85 -4.96 114.28 102.68 1pqy n THR 192 Ca -0.11 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 1pqy n THR 192 Cb 0.68 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 1pqy n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqy n GLY 193 N 1.38 0.67 3.17 3.38 0.00 0.88 -4.97 105.19 109.70 1pqy n GLY 193 Ca -0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1pqy n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pqy s ARG 194 N -2.06 0.89 0.09 1.61 0.52 -1.25 -4.67 118.95 114.09 1pqy s ARG 194 Ca 0.00 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1pqy s ARG 194 Cb 0.00 -0.92 0.02 0.00 0.52 0.00 0.00 34.95 34.57 1pqy s ARG 194 CO 0.00 0.21 0.13 0.41 0.02 0.00 0.00 175.30 176.07 1pqy n GLY 195 N 1.46 -0.39 2.68 -3.53 0.00 -0.50 -4.20 105.19 100.72 1pqy n GLY 195 Ca -0.20 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.00 1pqy n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqy n GLN 196 N -1.26 0.50 -4.05 1.61 10.64 -1.13 -4.90 117.38 118.79 1pqy n GLN 196 Ca 0.02 -1.10 -0.35 0.00 -1.83 0.00 0.00 57.00 53.74 1pqy n GLN 196 Cb 0.06 1.47 -0.09 0.00 -0.86 0.00 0.00 30.24 30.82 1pqy n GLN 196 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1pqy s ARG 197 N -2.04 3.72 -0.13 2.61 3.52 -1.26 -0.41 118.95 124.96 1pqy s ARG 197 Ca 0.15 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 1pqy s ARG 197 Cb -0.02 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.26 1pqy s ARG 197 CO 0.04 0.43 -0.12 0.08 -0.81 0.00 0.00 175.30 174.93 1pqy s VAL 198 N -0.08 1.36 0.24 7.11 1.01 0.12 -4.95 120.40 125.22 1pqy s VAL 198 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1pqy s VAL 198 Cb -0.12 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1pqy s VAL 198 CO 0.01 0.42 0.05 0.35 0.00 0.00 0.00 175.10 175.93 1pqy n THR 199 N 4.76 0.00 -0.14 3.92 -2.24 -1.26 -0.78 114.28 118.54 1pqy n THR 199 Ca -0.16 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1pqy n THR 199 Cb 0.50 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1pqy n THR 199 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pqy n SER 201 N -1.35 2.26 0.00 3.42 3.41 -1.26 -4.96 113.62 115.15 1pqy n SER 201 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1pqy n SER 201 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1pqy n SER 201 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1pqy n GLN 203 N 0.00 0.00 0.04 4.33 7.27 -0.87 -2.35 117.38 125.80 1pqy n GLN 203 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 1pqy n GLN 203 Cb 0.00 0.00 0.26 0.00 2.41 0.00 0.00 30.24 32.91 1pqy n GLN 203 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1pqy h ASP 204 N 0.00 0.41 0.04 1.69 3.32 -1.95 -0.86 116.42 119.07 1pqy h ASP 204 Ca 0.00 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1pqy h ASP 204 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1pqy h ASP 204 CO 0.00 0.61 -0.02 0.00 -1.72 0.00 0.00 179.24 178.11 1pqy h ALA 205 N 1.43 -0.06 -0.08 3.45 0.00 -1.80 0.07 119.26 122.27 1pqy h ALA 205 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pqy h ALA 205 Cb 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pqy h ALA 205 CO 0.04 -0.49 0.06 0.28 0.00 0.00 0.00 179.25 179.13 1pqy h VAL 206 N -0.14 1.03 -0.76 0.00 2.07 -1.66 -2.81 116.25 113.98 1pqy h VAL 206 Ca -0.01 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1pqy h VAL 206 Cb 0.12 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1pqy h VAL 206 CO 0.01 0.03 0.45 0.25 0.02 0.00 0.00 177.57 178.32 1pqy h LEU 207 N 0.11 0.67 -0.96 2.57 5.85 -0.97 -2.22 115.31 120.36 1pqy h LEU 207 Ca 0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1pqy h LEU 207 Cb -0.01 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1pqy h LEU 207 CO -0.01 0.42 0.62 -1.13 -0.34 0.00 0.00 178.44 178.01 1pqy h ASN 208 N 0.80 1.03 1.07 1.25 -1.24 -0.73 0.07 115.58 117.83 1pqy h ASN 208 Ca 0.35 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.35 1pqy h ASN 208 Cb 0.22 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1pqy h ASN 208 CO -0.19 0.70 0.00 -0.07 -1.29 0.00 0.00 177.43 176.57 1pqy h LEU 209 N 1.19 0.00 -3.66 0.34 3.38 -1.21 -2.79 115.31 112.56 1pqy h LEU 209 Ca 0.39 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.21 1pqy h LEU 209 Cb 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 1pqy h LEU 209 CO -0.13 0.00 0.18 0.00 0.09 0.00 0.00 178.44 178.58 1pqy h ARG 211 N 2.87 0.35 0.00 0.00 2.43 -1.19 -0.79 114.38 118.04 1pqy h ARG 211 Ca 0.18 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1pqy h ARG 211 Cb 2.18 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.65 1pqy h ARG 211 CO 0.64 0.23 -0.03 -0.39 -1.51 0.00 0.00 179.97 178.90 1pqy h VAL 212 N 0.36 0.46 0.00 0.20 -1.51 -1.87 -1.48 116.25 112.40 1pqy h VAL 212 Ca 0.39 -0.16 -0.08 0.00 -1.23 0.00 0.00 66.70 65.61 1pqy h VAL 212 Cb 0.59 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1pqy h VAL 212 CO -0.42 0.03 -0.37 0.11 -1.23 0.00 0.00 177.57 175.70 1pqy h LYS 213 N 0.00 0.00 0.00 5.19 1.79 -1.50 -1.96 116.57 120.09 1pqy h LYS 213 Ca -0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1pqy h LYS 213 Cb 0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1pqy h LYS 213 CO 0.00 0.37 -0.64 1.25 -1.08 0.00 0.00 179.45 179.35 1pqy h LEU 214 N 0.00 0.00 -0.12 2.94 5.85 -1.22 -1.34 115.31 121.41 1pqy h LEU 214 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1pqy h LEU 214 Cb 1.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1pqy h LEU 214 CO 0.05 0.64 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.65 1pqy h ARG 215 N 0.00 0.25 -0.20 1.25 2.43 -1.26 -2.47 114.38 114.37 1pqy h ARG 215 Ca -0.01 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1pqy h ARG 215 Cb 1.38 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1pqy h ARG 215 CO 0.08 0.58 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.54 1pqy h ASP 216 N -0.10 0.32 -0.60 -3.80 3.32 -1.29 -1.62 116.42 112.66 1pqy h ASP 216 Ca 0.03 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1pqy h ASP 216 Cb 0.50 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1pqy h ASP 216 CO 0.02 0.49 0.10 -0.61 -1.72 0.00 0.00 179.24 177.51 1pqy h GLN 217 N 0.31 1.02 -0.11 3.56 5.75 -1.11 0.24 115.11 124.77 1pqy h GLN 217 Ca 0.06 -0.26 -0.17 0.00 -0.15 0.00 0.00 58.65 58.13 1pqy h GLN 217 Cb 0.44 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1pqy h GLN 217 CO 0.03 0.94 -0.66 1.96 -2.65 0.00 0.00 178.83 178.44 1pqy h GLN 218 N 0.95 0.46 -0.53 1.69 4.20 -0.97 -0.15 115.11 120.77 1pqy h GLN 218 Ca 0.19 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 1pqy h GLN 218 Cb 0.42 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1pqy h GLN 218 CO 0.01 0.96 -0.10 0.00 -0.67 0.00 0.00 178.83 179.03 1pqy h ARG 219 N 0.33 1.00 -0.54 1.46 3.08 -1.04 -2.08 114.38 116.59 1pqy h ARG 219 Ca -0.02 -0.36 -0.11 0.00 0.07 0.00 0.00 59.98 59.56 1pqy h ARG 219 Cb 1.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1pqy h ARG 219 CO 0.12 1.04 -0.09 1.25 -1.07 0.00 0.00 179.97 181.22 1pqy h LEU 220 N 0.89 1.01 -1.31 3.04 5.85 -0.77 0.15 115.31 124.17 1pqy h LEU 220 Ca 0.14 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1pqy h LEU 220 Cb 0.66 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1pqy h LEU 220 CO 0.05 1.12 -0.05 0.44 -0.34 0.00 0.00 178.44 179.66 1pqy h ASP 221 N 0.89 0.38 0.09 1.25 3.32 -0.83 0.14 116.42 121.65 1pqy h ASP 221 Ca 0.14 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 1pqy h ASP 221 Cb 0.65 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1pqy h ASP 221 CO 0.05 0.48 -0.99 0.50 -1.72 0.00 0.00 179.24 177.55 1pqy h LYS 222 N 0.39 0.19 0.00 3.56 3.64 -1.10 -3.41 116.57 119.85 1pqy h LYS 222 Ca 0.08 -0.33 -0.34 0.00 -1.27 0.00 0.00 60.65 58.80 1pqy h LYS 222 Cb 0.33 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 1pqy h LYS 222 CO 0.01 1.16 -2.12 1.28 -2.27 0.00 0.00 179.45 177.51 1pqy n LEU 223 N -4.15 0.50 0.00 5.20 4.77 0.50 -4.99 117.00 118.83 1pqy n LEU 223 Ca -0.20 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1pqy n LEU 223 Cb 0.78 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 1pqy n LEU 223 CO 0.39 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1pqy n GLY 224 N 1.70 0.72 3.43 -0.72 0.00 0.03 -5.02 105.19 105.33 1pqy n GLY 224 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1pqy n GLY 224 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pqy s TYR 225 N -2.78 -0.53 -0.32 1.61 -0.85 -1.26 -4.76 117.35 108.46 1pqy s TYR 225 Ca 0.00 0.43 0.03 0.00 -0.52 0.00 0.00 57.07 57.01 1pqy s TYR 225 Cb 0.00 0.51 0.09 0.00 0.38 0.00 0.00 41.96 42.94 1pqy s TYR 225 CO 0.00 -0.79 0.03 -0.51 -1.52 0.00 0.00 175.55 172.75 1pqy s LEU 226 N -2.48 4.09 0.32 -3.49 1.43 -1.26 -4.55 118.68 112.74 1pqy s LEU 226 Ca -0.01 -1.92 0.09 0.00 -1.03 0.00 0.00 54.13 51.26 1pqy s LEU 226 Cb -0.01 -1.48 0.90 0.00 0.03 0.00 0.00 46.19 45.64 1pqy s LEU 226 CO -0.09 -0.35 1.66 -0.08 0.23 0.00 0.00 176.35 177.73 1pqy h GLU 227 N 7.72 0.30 -0.00 1.70 4.22 -2.00 -1.37 114.58 125.15 1pqy h GLU 227 Ca -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1pqy h GLU 227 Cb 1.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1pqy h GLU 227 CO 0.50 0.20 -0.23 -0.85 -2.18 0.00 0.00 179.01 176.45 1pqy n GLU 228 N -5.10 0.42 -2.48 1.92 0.00 -1.26 -4.77 120.64 109.37 1pqy n GLU 228 Ca 0.27 -0.18 -0.33 0.00 0.00 0.00 0.00 57.16 56.92 1pqy n GLU 228 Cb 0.83 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.74 1pqy n GLU 228 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1pqy s TYR 229 N -2.71 3.22 0.59 -1.84 1.51 -0.52 -4.94 117.35 112.66 1pqy s TYR 229 Ca 0.21 1.54 0.28 0.00 -1.01 0.00 0.00 57.07 58.09 1pqy s TYR 229 Cb 0.19 -2.91 1.71 0.00 -0.11 0.00 0.00 41.96 40.84 1pqy s TYR 229 CO 0.55 -0.55 2.18 -1.00 -1.11 0.00 0.00 175.55 175.63 1pqy h PRO 230 N 1.24 0.00 0.00 -1.71 0.13 -1.87 -1.67 132.00 128.12 1pqy h PRO 230 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1pqy h PRO 230 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pqy h PRO 230 CO 0.60 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.41 1pqy n GLN 231 N -3.88 0.16 -3.62 0.86 3.00 -1.26 -4.69 117.38 107.95 1pqy n GLN 231 Ca -0.01 0.42 -0.37 0.00 -0.01 0.00 0.00 57.00 57.03 1pqy n GLN 231 Cb 0.20 -1.82 -0.07 0.00 0.00 0.00 0.00 30.24 28.55 1pqy n GLN 231 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1pqy s TYR 232 N -3.29 3.55 -1.48 1.08 5.04 -0.63 0.64 117.35 122.26 1pqy s TYR 232 Ca 0.04 0.65 0.14 0.00 -2.44 0.00 0.00 57.07 55.45 1pqy s TYR 232 Cb 0.09 -2.23 0.23 0.00 0.35 0.00 0.00 41.96 40.40 1pqy s TYR 232 CO 0.35 0.44 1.10 -0.35 -1.34 0.00 0.00 175.55 175.75 1pqy n PRO 233 N 2.83 1.76 0.00 4.97 -0.04 -1.26 -4.70 135.00 138.55 1pqy n PRO 233 Ca -0.14 -1.70 0.12 0.00 -0.04 0.00 0.00 63.50 61.74 1pqy n PRO 233 Cb 0.53 -1.30 0.22 0.00 -0.04 0.00 0.00 33.50 32.92 1pqy n PRO 233 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pqy n ASN 234 N 0.77 1.04 -0.49 3.54 5.03 -1.22 -4.93 115.26 118.99 1pqy n ASN 234 Ca 0.11 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.73 1pqy n ASN 234 Cb 0.40 0.32 0.00 0.00 -1.02 0.00 0.00 39.78 39.48 1pqy n ASN 234 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pqy n GLY 235 N 1.42 1.50 3.15 7.41 0.00 0.21 -5.11 105.19 113.76 1pqy n GLY 235 Ca 0.09 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 1pqy n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pqy s THR 236 N 1.75 1.14 -0.05 2.61 2.01 -1.25 -4.87 115.64 116.98 1pqy s THR 236 Ca 0.00 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 60.97 1pqy s THR 236 Cb 0.00 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1pqy s THR 236 CO 0.00 -0.04 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.36 1pqy s PHE 237 N -0.94 2.63 0.00 4.92 0.40 -1.26 -4.93 117.98 118.80 1pqy s PHE 237 Ca 0.01 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1pqy s PHE 237 Cb -0.08 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1pqy s PHE 237 CO 0.02 0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.44 1pqy n GLY 238 N 2.46 1.86 0.14 4.36 0.00 -1.26 -5.00 105.19 107.75 1pqy n GLY 238 Ca -0.17 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 43.99 1pqy n GLY 238 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1pqy h ASP 239 N 0.00 0.00 -3.78 1.61 2.03 -1.99 -3.46 116.42 110.83 1pqy h ASP 239 Ca 0.00 -0.03 -0.60 0.00 -0.73 0.00 0.00 57.03 55.67 1pqy h ASP 239 Cb 0.00 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 38.30 1pqy h ASP 239 CO 0.00 0.02 -0.82 0.00 -1.03 0.00 0.00 179.24 177.40 1pqy s ALA 240 N -3.17 2.12 0.09 4.15 0.00 -1.26 -4.87 121.76 118.81 1pqy s ALA 240 Ca 0.08 -1.43 -0.34 0.00 0.00 0.00 0.00 51.96 50.27 1pqy s ALA 240 Cb 0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 23.12 22.81 1pqy s ALA 240 CO 0.66 0.38 1.65 0.28 0.00 0.00 0.00 175.76 178.72 1pqy n VAL 241 N 0.70 0.16 -2.67 0.00 0.31 -1.26 -4.96 118.33 110.59 1pqy n VAL 241 Ca -0.16 -0.03 -0.22 0.00 -0.01 0.00 0.00 64.34 63.92 1pqy n VAL 241 Cb 0.55 -1.58 0.03 0.00 -0.91 0.00 0.00 33.84 31.93 1pqy n VAL 241 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pqy s PRO 242 N 1.74 2.65 0.31 5.55 0.04 -1.26 -4.78 135.00 139.24 1pqy s PRO 242 Ca 0.83 -0.65 -0.29 0.00 0.04 0.00 0.00 61.00 60.93 1pqy s PRO 242 Cb -0.70 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 1pqy s PRO 242 CO 0.42 -0.65 1.14 1.03 0.04 0.00 0.00 177.00 178.98 1pqy s ARG 243 N -4.76 4.51 -0.17 4.56 0.52 -1.26 -4.87 118.95 117.48 1pqy s ARG 243 Ca 0.55 1.87 0.16 0.00 -0.52 0.00 0.00 55.73 57.79 1pqy s ARG 243 Cb -0.10 -3.08 0.37 0.00 0.52 0.00 0.00 34.95 32.66 1pqy s ARG 243 CO 0.39 0.07 1.23 0.41 0.02 0.00 0.00 175.30 177.42 1pqy n GLY 244 N 1.02 4.86 7.00 -3.53 0.00 -1.23 -3.76 105.19 109.54 1pqy n GLY 244 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1pqy n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqy n GLY 245 N -1.21 3.53 2.15 -0.02 0.00 0.54 -2.25 105.19 107.93 1pqy n GLY 245 Ca 0.19 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1pqy n GLY 245 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pqy n ASN 246 N 4.52 4.39 -4.75 1.61 3.02 -1.26 -4.66 115.26 118.13 1pqy n ASN 246 Ca 0.00 -3.51 -0.34 0.00 -0.03 0.00 0.00 54.58 50.70 1pqy n ASN 246 Cb 0.00 -0.85 0.07 0.00 -0.61 0.00 0.00 39.78 38.39 1pqy n ASN 246 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pqy s ALA 247 N -3.12 2.32 0.29 5.41 0.00 -0.95 -3.77 121.76 121.94 1pqy s ALA 247 Ca 0.54 0.74 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1pqy s ALA 247 Cb 0.45 -3.40 0.73 0.00 0.00 0.00 0.00 23.12 20.89 1pqy s ALA 247 CO 0.08 -1.52 1.69 0.78 0.00 0.00 0.00 175.76 176.79 1pqy h GLY 248 N -0.00 1.50 0.00 0.00 0.00 -1.77 -3.46 103.07 99.34 1pqy h GLY 248 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1pqy h GLY 248 CO 0.52 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.38 1pqy n GLY 249 N -1.34 0.83 0.00 4.60 0.00 -1.26 -4.93 105.19 103.09 1pqy n GLY 249 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1pqy n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqy n GLY 250 N -2.18 4.98 0.59 -0.02 0.00 -1.26 -5.01 105.19 102.28 1pqy n GLY 250 Ca 0.00 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.50 1pqy n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqy n GLY 251 N 0.00 0.22 2.99 -0.02 0.00 -1.26 -4.76 105.19 102.36 1pqy n GLY 251 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1pqy n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pqy s GLN 252 N -2.01 1.89 0.60 1.61 -1.52 -1.26 -4.86 119.66 114.11 1pqy s GLN 252 Ca 0.35 -1.12 -0.19 0.00 -1.95 0.00 0.00 55.36 52.45 1pqy s GLN 252 Cb 0.21 -2.70 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 1pqy s GLN 252 CO 0.33 -0.58 1.19 -2.30 -0.25 0.00 0.00 175.29 173.68 1pqy n PRO 253 N 4.58 1.18 -3.77 2.91 -0.02 -1.25 -4.45 135.00 134.19 1pqy n PRO 253 Ca -0.13 0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 61.76 1pqy n PRO 253 Cb 0.43 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1pqy n PRO 253 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1pqy s GLY 254 N -1.20 -0.21 0.16 -1.23 0.00 -1.26 0.58 107.32 104.16 1pqy s GLY 254 Ca 0.77 0.07 -0.24 0.00 0.00 0.00 0.00 44.72 45.32 1pqy s GLY 254 CO 0.45 -0.01 0.75 0.86 0.00 0.00 0.00 173.10 175.15 1pqy s TRP 255 N -3.38 -0.34 -0.34 1.90 -0.11 -0.54 -3.40 118.94 112.72 1pqy s TRP 255 Ca 0.12 0.07 -0.18 0.00 1.22 0.00 0.00 56.10 57.32 1pqy s TRP 255 Cb -0.02 0.61 -0.01 0.00 -1.50 0.00 0.00 33.47 32.55 1pqy s TRP 255 CO 0.03 -0.89 0.53 0.42 -4.62 0.00 0.00 176.95 172.42 1pqy s ILE 256 N -3.59 5.01 -0.09 5.86 -1.09 -1.26 -1.21 121.20 124.82 1pqy s ILE 256 Ca 0.06 0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.87 1pqy s ILE 256 Cb -0.02 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1pqy s ILE 256 CO -0.04 -0.20 0.02 -0.76 -1.23 0.00 0.00 174.94 172.72 1pqy s LEU 257 N 2.42 3.66 0.43 2.97 1.43 -0.43 -4.95 118.68 124.21 1pqy s LEU 257 Ca 0.19 0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 53.23 1pqy s LEU 257 Cb -0.15 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 1pqy s LEU 257 CO 0.13 0.38 1.15 -0.54 0.23 0.00 0.00 176.35 177.70 1pqy s LYS 258 N -0.88 3.93 0.39 1.70 1.02 -1.26 -1.70 119.74 122.93 1pqy s LYS 258 Ca 0.13 1.77 0.04 0.00 0.02 0.00 0.00 55.97 57.93 1pqy s LYS 258 Cb -0.11 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1pqy s LYS 258 CO 0.02 -0.40 0.05 0.00 -0.92 0.00 0.00 175.35 174.10 1pqy n LYS 260 N -0.87 1.92 0.00 0.00 4.81 -0.32 -2.17 118.16 121.52 1pqy n LYS 260 Ca -0.06 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1pqy n LYS 260 Cb 0.66 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1pqy n LYS 260 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pqy n GLY 261 N 3.45 0.38 0.40 3.14 0.00 -1.26 -4.69 105.19 106.61 1pqy n GLY 261 Ca 0.19 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.42 1pqy n GLY 261 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1pqy h TRP 262 N 0.00 0.07 -0.31 1.61 5.08 -1.60 0.51 115.95 121.30 1pqy h TRP 262 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1pqy h TRP 262 Cb 0.00 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.12 1pqy h TRP 262 CO 0.00 0.03 0.14 0.93 -1.28 0.00 0.00 178.44 178.25 1pqy h GLU 263 N 0.06 0.43 0.00 0.12 3.07 -1.94 -3.30 114.58 113.03 1pqy h GLU 263 Ca 0.30 -0.05 -0.24 0.00 -0.50 0.00 0.00 59.36 58.88 1pqy h GLU 263 Cb 1.13 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 1pqy h GLU 263 CO -0.02 0.35 -1.92 2.41 -1.40 0.00 0.00 179.01 178.44 1pqy n THR 264 N -4.42 0.92 -3.28 1.13 -1.04 -0.42 -4.93 114.28 102.25 1pqy n THR 264 Ca 0.02 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 1pqy n THR 264 Cb 0.12 -1.01 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 1pqy n THR 264 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pqy s ASP 265 N -5.41 6.25 0.24 8.00 -1.08 0.16 -4.94 116.67 119.89 1pqy s ASP 265 Ca -0.19 -0.37 0.19 0.00 -0.52 0.00 0.00 52.55 51.65 1pqy s ASP 265 Cb 0.05 -2.25 0.94 0.00 -1.46 0.00 0.00 42.92 40.21 1pqy s ASP 265 CO 0.40 -0.55 1.58 -0.81 0.52 0.00 0.00 175.17 176.31 1pqy n PRO 266 N 5.72 0.13 -0.19 4.34 -0.04 -1.26 -2.17 135.00 141.52 1pqy n PRO 266 Ca -0.06 0.54 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 1pqy n PRO 266 Cb 0.48 -1.85 0.15 0.00 -0.04 0.00 0.00 33.50 32.24 1pqy n PRO 266 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pqy n ASN 267 N -2.11 2.95 -4.10 3.54 3.02 -1.26 -4.81 115.26 112.48 1pqy n ASN 267 Ca 0.00 -2.16 -0.43 0.00 -0.03 0.00 0.00 54.58 51.96 1pqy n ASN 267 Cb 0.09 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1pqy n ASN 267 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pqy n ALA 268 N 0.22 4.69 -3.16 5.41 0.00 -0.92 -4.48 120.51 122.27 1pqy n ALA 268 Ca 0.12 -3.96 -0.09 0.00 0.00 0.00 0.00 53.44 49.51 1pqy n ALA 268 Cb 0.48 -3.45 -0.05 0.00 0.00 0.00 0.00 19.45 16.43 1pqy n ALA 268 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1pqy s TYR 269 N 3.03 0.33 0.06 0.00 1.51 -1.26 -1.50 117.35 119.51 1pqy s TYR 269 Ca 0.48 -0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1pqy s TYR 269 Cb 0.08 0.19 -0.04 0.00 -0.11 0.00 0.00 41.96 42.09 1pqy s TYR 269 CO -0.01 -0.97 -0.02 0.96 -1.11 0.00 0.00 175.55 174.40 1pqy s ILE 270 N -4.00 0.21 -0.20 2.71 -4.36 -0.69 -0.91 121.20 113.96 1pqy s ILE 270 Ca 0.21 -1.79 -0.09 0.00 -0.26 0.00 0.00 60.65 58.72 1pqy s ILE 270 Cb -0.00 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 1pqy s ILE 270 CO 0.08 -0.96 0.11 -0.47 0.24 0.00 0.00 174.94 173.94 1pqy s TYR 271 N -3.92 3.37 -0.14 1.37 5.04 0.33 -1.31 117.35 122.08 1pqy s TYR 271 Ca 0.08 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1pqy s TYR 271 Cb 0.08 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.24 1pqy s TYR 271 CO -0.09 0.26 -0.15 0.12 -1.34 0.00 0.00 175.55 174.35 1pqy s PHE 272 N 0.35 2.78 -0.15 4.97 5.36 -0.35 -2.61 117.98 128.34 1pqy s PHE 272 Ca 0.07 -0.90 -0.03 0.00 -0.96 0.00 0.00 56.93 55.11 1pqy s PHE 272 Cb -0.11 -1.87 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 1pqy s PHE 272 CO -0.01 -0.38 -0.06 0.99 -1.46 0.00 0.00 175.22 174.29 1pqy s THR 273 N 0.65 3.69 -1.04 0.12 2.01 -0.56 -1.47 115.64 119.04 1pqy s THR 273 Ca -0.08 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 1pqy s THR 273 Cb -0.16 -2.60 0.18 0.00 0.01 0.00 0.00 72.50 69.93 1pqy s THR 273 CO 0.02 0.50 1.18 -0.63 -0.69 0.00 0.00 174.62 175.01 1pqy s ILE 274 N 0.35 5.14 -0.02 1.82 -1.09 0.20 -4.31 121.20 123.29 1pqy s ILE 274 Ca -0.06 -2.34 -0.30 0.00 -2.23 0.00 0.00 60.65 55.72 1pqy s ILE 274 Cb -0.15 -4.76 -0.04 0.00 -1.58 0.00 0.00 42.46 35.93 1pqy s ILE 274 CO 0.04 -1.44 1.26 -1.58 -1.23 0.00 0.00 174.94 171.99 1pqy s GLN 275 N 1.39 4.34 0.25 2.79 0.74 -1.26 -3.88 119.66 124.03 1pqy s GLN 275 Ca 0.34 1.78 -0.08 0.00 0.05 0.00 0.00 55.36 57.45 1pqy s GLN 275 Cb -0.06 -3.52 0.43 0.00 1.10 0.00 0.00 33.01 30.96 1pqy s GLN 275 CO -0.06 -0.45 1.61 1.49 -0.55 0.00 0.00 175.29 177.33 1pqy h GLU 276 N 7.44 0.04 -0.02 1.67 4.81 -1.95 0.72 114.58 127.28 1pqy h GLU 276 Ca -0.37 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1pqy h GLU 276 Cb 1.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1pqy h GLU 276 CO 0.87 0.02 0.00 1.04 -0.73 0.00 0.00 179.01 180.22 1pqy n GLN 277 N -5.46 1.34 -0.25 1.92 3.00 -1.26 -3.53 117.38 113.14 1pqy n GLN 277 Ca 0.14 -0.50 0.08 0.00 -0.01 0.00 0.00 57.00 56.71 1pqy n GLN 277 Cb 0.48 -1.46 0.19 0.00 0.00 0.00 0.00 30.24 29.44 1pqy n GLN 277 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1pqy n ASN 278 N -0.37 3.10 -0.21 1.08 5.15 0.23 -4.75 115.26 119.48 1pqy n ASN 278 Ca 0.20 -2.85 -0.03 0.00 -0.60 0.00 0.00 54.58 51.29 1pqy n ASN 278 Cb 0.22 -0.43 0.07 0.00 -0.53 0.00 0.00 39.78 39.12 1pqy n ASN 278 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1pqy h TRP 279 N 1.05 0.67 0.16 1.20 2.91 -1.55 -1.43 115.95 118.95 1pqy h TRP 279 Ca 0.00 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1pqy h TRP 279 Cb 1.14 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1pqy h TRP 279 CO 0.26 0.36 -0.07 0.93 -1.03 0.00 0.00 178.44 178.88 1pqy h GLU 280 N 0.70 -0.20 -0.63 2.65 5.08 -1.90 -0.50 114.58 119.78 1pqy h GLU 280 Ca 0.26 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1pqy h GLU 280 Cb 0.09 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1pqy h GLU 280 CO -0.13 -0.09 0.42 -0.91 -1.00 0.00 0.00 179.01 177.29 1pqy h ASN 281 N -0.26 0.59 -0.09 1.42 2.35 -1.84 -1.11 115.58 116.64 1pqy h ASN 281 Ca -0.02 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pqy h ASN 281 Cb 0.20 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1pqy h ASN 281 CO 0.03 0.39 0.05 0.74 -1.65 0.00 0.00 177.43 176.99 1pqy h THR 282 N 0.67 1.11 -0.89 2.81 2.02 -0.75 0.54 112.91 118.42 1pqy h THR 282 Ca 0.27 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 67.20 1pqy h THR 282 Cb 0.20 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1pqy h THR 282 CO -0.08 0.10 0.55 0.00 0.37 0.00 0.00 175.52 176.46 1pqy h LYS 284 N 0.98 0.81 -0.65 0.00 1.57 -0.86 0.23 116.57 118.65 1pqy h LYS 284 Ca 0.40 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1pqy h LYS 284 Cb 0.23 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1pqy h LYS 284 CO -0.19 0.86 0.43 0.00 -0.57 0.00 0.00 179.45 179.98 1pqy h ALA 285 N 0.92 1.62 -0.60 3.86 0.00 -0.15 -2.69 119.26 122.22 1pqy h ALA 285 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pqy h ALA 285 Cb 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pqy h ALA 285 CO 0.02 0.31 0.00 0.44 0.00 0.00 0.00 179.25 180.03 1pqy n ILE 286 N -4.46 1.25 -3.37 0.00 -5.35 -0.79 -4.98 119.36 101.66 1pqy n ILE 286 Ca 0.08 -1.08 -0.19 0.00 -0.27 0.00 0.00 62.75 61.28 1pqy n ILE 286 Cb 0.11 0.38 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 1pqy n ILE 286 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pqy n GLY 287 N 1.16 -0.25 2.66 3.28 0.00 -0.55 -4.96 105.19 106.52 1pqy n GLY 287 Ca 0.22 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 1pqy n GLY 287 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pqy n LYS 288 N -4.09 2.71 -0.20 1.61 4.76 0.69 -4.90 118.16 118.74 1pqy n LYS 288 Ca -0.02 -4.35 0.12 0.00 -2.87 0.00 0.00 58.31 51.19 1pqy n LYS 288 Cb 0.56 -2.05 0.42 0.00 -1.84 0.00 0.00 35.03 32.12 1pqy n LYS 288 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1pqy h PRO 289 N 2.87 0.58 -0.20 1.97 0.13 -1.93 -0.56 132.00 134.86 1pqy h PRO 289 Ca 0.15 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.30 1pqy h PRO 289 Cb 0.77 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1pqy h PRO 289 CO 0.74 0.38 0.17 1.05 -0.23 0.00 0.00 178.00 180.12 1pqy h GLU 290 N 0.60 0.00 0.00 0.86 9.09 -1.94 -0.33 114.58 122.85 1pqy h GLU 290 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 1pqy h GLU 290 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 1pqy h GLU 290 CO -0.14 0.00 0.00 0.91 0.05 0.00 0.00 179.01 179.83 1pqy n TRP 291 N -4.13 0.22 -0.15 2.06 7.02 -0.22 -2.21 117.44 120.03 1pqy n TRP 291 Ca 0.02 0.08 -0.09 0.00 -1.02 0.00 0.00 57.50 56.49 1pqy n TRP 291 Cb 0.31 -0.63 0.05 0.00 -2.42 0.00 0.00 31.31 28.62 1pqy n TRP 291 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1pqy h ILE 292 N 0.00 1.27 0.00 -0.99 2.04 -1.17 -3.32 117.51 115.33 1pqy h ILE 292 Ca 0.00 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1pqy h ILE 292 Cb 0.32 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1pqy h ILE 292 CO 0.00 0.44 -1.39 0.35 0.00 0.00 0.00 178.15 177.55 1pqy n THR 293 N -4.14 0.00 -1.68 -0.27 -2.24 -1.17 -4.57 114.28 100.21 1pqy n THR 293 Ca 0.01 -0.28 -0.48 0.00 -2.27 0.00 0.00 64.05 61.03 1pqy n THR 293 Cb 0.40 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 1pqy n THR 293 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pqy n ASP 294 N -1.82 3.32 -0.13 3.42 -0.08 -0.94 -4.79 116.55 115.54 1pqy n ASP 294 Ca -0.01 1.01 0.16 0.00 -1.51 0.00 0.00 54.79 54.44 1pqy n ASP 294 Cb 0.32 -1.39 0.55 0.00 2.34 0.00 0.00 41.12 42.94 1pqy n ASP 294 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pqy h PRO 295 N 8.12 0.31 0.00 -0.67 0.11 -1.92 0.46 132.00 138.42 1pqy h PRO 295 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pqy h PRO 295 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pqy h PRO 295 CO 0.93 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 1pqy n ALA 296 N -2.55 1.87 0.00 -0.75 0.00 -1.26 -3.88 120.51 113.93 1pqy n ALA 296 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1pqy n ALA 296 Cb 0.54 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1pqy n ALA 296 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pqy n TYR 297 N -1.74 0.00 0.31 0.00 4.02 -0.32 -3.71 117.16 115.72 1pqy n TYR 297 Ca 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.03 1pqy n TYR 297 Cb 0.25 0.00 0.44 0.00 -0.02 0.00 0.00 39.34 40.00 1pqy n TYR 297 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1pqy n SER 298 N -0.87 0.46 -4.18 7.72 3.41 0.00 -4.71 113.62 115.46 1pqy n SER 298 Ca 0.00 0.65 -0.21 0.00 -0.26 0.00 0.00 58.87 59.05 1pqy n SER 298 Cb 0.00 -0.73 -0.13 0.00 -0.26 0.00 0.00 64.21 63.09 1pqy n SER 298 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pqy s THR 299 N -3.29 1.25 0.16 6.66 2.01 -1.26 -5.04 115.64 116.14 1pqy s THR 299 Ca 0.03 -1.16 -0.15 0.00 0.31 0.00 0.00 61.69 60.71 1pqy s THR 299 Cb 0.08 -1.15 0.04 0.00 0.01 0.00 0.00 72.50 71.48 1pqy s THR 299 CO 0.28 -0.03 1.82 0.00 -0.69 0.00 0.00 174.62 176.00 1pqy h ALA 300 N 4.66 0.59 -0.97 7.40 0.00 -1.94 0.68 119.26 129.68 1pqy h ALA 300 Ca -0.40 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.56 1pqy h ALA 300 Cb 1.18 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1pqy h ALA 300 CO 0.42 0.04 0.62 1.25 0.00 0.00 0.00 179.25 181.58 1pqy h HIS 301 N 0.63 1.13 0.00 0.00 -0.00 -1.97 -0.64 115.15 114.31 1pqy h HIS 301 Ca 0.17 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.44 1pqy h HIS 301 Cb -0.07 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 26.96 1pqy h HIS 301 CO -0.04 0.54 -0.60 0.00 -0.00 0.00 0.00 177.93 177.82 1pqy h ALA 302 N 1.47 0.87 0.10 5.26 0.00 -1.66 -3.30 119.26 122.01 1pqy h ALA 302 Ca 0.44 -0.55 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 1pqy h ALA 302 Cb 0.28 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1pqy h ALA 302 CO -0.21 0.75 -1.18 0.00 0.00 0.00 0.00 179.25 178.61 1pqy h ARG 303 N 0.00 0.47 -0.92 0.00 3.08 0.28 -3.38 114.38 113.91 1pqy h ARG 303 Ca -0.01 -0.64 0.13 0.00 0.07 0.00 0.00 59.98 59.53 1pqy h ARG 303 Cb 1.16 0.21 -0.14 0.00 0.08 0.00 0.00 29.97 31.28 1pqy h ARG 303 CO 0.08 1.27 -0.41 0.94 -1.07 0.00 0.00 179.97 180.78 1pqy n GLN 304 N -3.71 -0.27 -0.20 0.04 -0.06 -0.36 -0.51 117.38 112.31 1pqy n GLN 304 Ca -0.11 1.41 0.28 0.00 -2.00 0.00 0.00 57.00 56.58 1pqy n GLN 304 Cb 0.96 -2.08 0.70 0.00 -4.06 0.00 0.00 30.24 25.76 1pqy n GLN 304 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1pqy h PRO 305 N 0.00 0.05 0.00 3.69 0.11 -1.78 -2.16 132.00 131.92 1pqy h PRO 305 Ca 0.27 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1pqy h PRO 305 Cb 0.50 -0.01 -0.22 0.00 0.11 0.00 0.00 31.00 31.38 1pqy h PRO 305 CO -0.90 0.04 -0.80 -2.39 -0.21 0.00 0.00 178.00 173.74 1pqy n HIS 306 N -4.30 0.00 0.08 0.65 1.44 -0.58 -4.80 115.22 107.72 1pqy n HIS 306 Ca 0.19 -0.88 0.13 0.00 -2.01 0.00 0.00 57.72 55.16 1pqy n HIS 306 Cb 0.96 -0.19 0.62 0.00 0.12 0.00 0.00 29.99 31.51 1pqy n HIS 306 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 1pqy h ILE 307 N 4.57 0.88 0.00 0.61 2.10 -0.10 -1.31 117.51 124.26 1pqy h ILE 307 Ca -0.13 -0.04 -0.06 0.00 1.08 0.00 0.00 64.86 65.71 1pqy h ILE 307 Cb 1.52 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 38.02 1pqy h ILE 307 CO 0.06 0.02 -0.29 -0.26 -1.08 0.00 0.00 178.15 176.59 1pqy h PHE 308 N 0.10 0.00 0.00 2.19 -1.00 -1.87 -1.51 116.94 114.85 1pqy h PHE 308 Ca 0.15 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.87 1pqy h PHE 308 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1pqy h PHE 308 CO -0.00 0.29 -0.33 -0.44 -1.61 0.00 0.00 178.31 176.22 1pqy h ASP 309 N 0.00 0.00 -0.02 2.17 3.32 -1.64 0.30 116.42 120.56 1pqy h ASP 309 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1pqy h ASP 309 Cb 0.73 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.30 1pqy h ASP 309 CO 0.04 0.33 -1.01 0.40 -1.72 0.00 0.00 179.24 177.28 1pqy h ILE 310 N 0.00 1.28 -0.42 0.35 2.04 -1.27 -2.13 117.51 117.36 1pqy h ILE 310 Ca -0.00 -2.21 -0.11 0.00 1.00 0.00 0.00 64.86 63.54 1pqy h ILE 310 Cb 0.78 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1pqy h ILE 310 CO 0.04 0.69 -0.18 -0.26 0.00 0.00 0.00 178.15 178.44 1pqy h PHE 311 N 0.42 0.90 -0.51 1.37 0.05 -0.96 -1.59 116.94 116.63 1pqy h PHE 311 Ca -0.12 -0.19 -0.08 0.00 3.82 0.00 0.00 57.97 61.39 1pqy h PHE 311 Cb 1.65 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 39.36 1pqy h PHE 311 CO 0.10 0.92 -0.02 0.00 -0.18 0.00 0.00 178.31 179.13 1pqy h ALA 312 N 1.08 1.00 -0.49 2.45 0.00 -0.94 0.97 119.26 123.34 1pqy h ALA 312 Ca 0.11 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1pqy h ALA 312 Cb 0.69 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1pqy h ALA 312 CO 0.05 0.61 -0.12 1.49 0.00 0.00 0.00 179.25 181.28 1pqy h GLU 313 N 0.80 0.94 -0.35 0.00 4.57 -1.09 -2.04 114.58 117.41 1pqy h GLU 313 Ca 0.15 -0.36 -0.14 0.00 -1.18 0.00 0.00 59.36 57.82 1pqy h GLU 313 Cb 0.51 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1pqy h GLU 313 CO 0.03 1.02 -0.35 0.82 -1.18 0.00 0.00 179.01 179.35 1pqy h ILE 314 N 0.80 1.28 0.00 2.32 2.04 -1.07 -2.97 117.51 119.91 1pqy h ILE 314 Ca 0.12 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 1pqy h ILE 314 Cb 0.67 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1pqy h ILE 314 CO 0.05 0.50 -0.19 -0.08 0.00 0.00 0.00 178.15 178.43 1pqy h GLU 315 N 0.67 0.00 -0.33 2.37 4.81 -0.60 -1.80 114.58 119.70 1pqy h GLU 315 Ca 0.06 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1pqy h GLU 315 Cb 0.91 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1pqy h GLU 315 CO 0.08 0.19 0.23 0.87 -0.73 0.00 0.00 179.01 179.65 1pqy h LYS 316 N 0.00 0.15 0.18 1.92 1.57 -1.20 -1.75 116.57 117.44 1pqy h LYS 316 Ca -0.00 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1pqy h LYS 316 Cb 0.42 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1pqy h LYS 316 CO 0.02 0.10 -1.78 -0.92 -0.57 0.00 0.00 179.45 176.30 1pqy h TYR 317 N 0.16 0.69 -0.46 -1.35 3.20 -1.46 -3.39 116.97 114.36 1pqy h TYR 317 Ca 0.15 -0.50 -0.13 0.00 3.14 0.00 0.00 58.73 61.39 1pqy h TYR 317 Cb 0.39 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1pqy h TYR 317 CO -0.00 1.69 -0.22 1.79 -1.64 0.00 0.00 178.16 179.78 1pqy h THR 318 N 0.10 1.27 0.00 1.81 1.35 -1.02 -2.25 112.91 114.17 1pqy h THR 318 Ca -0.35 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1pqy h THR 318 Cb 2.09 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1pqy h THR 318 CO 0.17 0.47 0.00 1.33 -0.25 0.00 0.00 175.52 177.24 1pqy n VAL 319 N -4.11 1.43 0.11 6.82 0.24 -0.71 -2.34 118.33 119.78 1pqy n VAL 319 Ca 0.00 0.36 0.01 0.00 -2.04 0.00 0.00 64.34 62.67 1pqy n VAL 319 Cb 0.45 -1.22 -0.01 0.00 -1.47 0.00 0.00 33.84 31.60 1pqy n VAL 319 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1pqy h THR 320 N 0.00 0.91 -3.53 3.34 2.02 -1.59 -2.84 112.91 111.22 1pqy h THR 320 Ca 0.00 -2.33 -0.36 0.00 0.77 0.00 0.00 66.41 64.49 1pqy h THR 320 Cb 0.14 2.42 -0.14 0.00 -1.74 0.00 0.00 68.15 68.82 1pqy h THR 320 CO 0.00 0.52 -0.63 0.27 0.37 0.00 0.00 175.52 176.04 1pqy s ILE 321 N -2.93 0.79 0.34 3.11 -0.00 -0.99 -4.80 121.20 116.73 1pqy s ILE 321 Ca 0.03 -2.01 -0.29 0.00 -0.00 0.00 0.00 60.65 58.38 1pqy s ILE 321 Cb 0.08 -2.49 -0.11 0.00 -0.00 0.00 0.00 42.46 39.94 1pqy s ILE 321 CO 0.76 -0.17 1.42 -0.62 -0.00 0.00 0.00 174.94 176.33 1pqy s ASP 322 N -3.31 6.55 0.35 4.36 -1.08 -1.26 -1.17 116.67 121.10 1pqy s ASP 322 Ca 0.33 2.86 0.14 0.00 -0.52 0.00 0.00 52.55 55.36 1pqy s ASP 322 Cb 0.07 -2.65 1.01 0.00 -1.46 0.00 0.00 42.92 39.89 1pqy s ASP 322 CO 0.11 -0.73 1.72 0.07 0.52 0.00 0.00 175.17 176.86 1pqy h LYS 323 N 3.50 0.44 -0.04 4.34 2.10 -1.88 0.19 116.57 125.22 1pqy h LYS 323 Ca -0.49 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.05 1pqy h LYS 323 Cb 1.23 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1pqy h LYS 323 CO 0.67 0.29 -0.36 0.45 -2.00 0.00 0.00 179.45 178.51 1pqy h HIS 324 N 0.46 0.09 0.00 0.07 3.86 -1.94 -2.10 115.15 115.59 1pqy h HIS 324 Ca 0.66 -0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.67 1pqy h HIS 324 Cb 1.46 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.88 1pqy h HIS 324 CO -0.01 0.43 -0.91 0.93 0.86 0.00 0.00 177.93 179.24 1pqy h GLU 325 N 0.07 0.00 -0.43 2.45 4.39 -1.03 -1.89 114.58 118.14 1pqy h GLU 325 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1pqy h GLU 325 Cb 0.67 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1pqy h GLU 325 CO 0.05 0.86 0.16 0.00 -1.16 0.00 0.00 179.01 178.93 1pqy h ALA 326 N 1.12 0.56 -0.49 3.43 0.00 -0.93 0.10 119.26 123.06 1pqy h ALA 326 Ca -0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1pqy h ALA 326 Cb 1.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1pqy h ALA 326 CO 0.11 0.17 -0.02 0.28 0.00 0.00 0.00 179.25 179.79 1pqy h VAL 327 N 0.55 1.26 -0.43 0.00 2.07 -1.37 0.15 116.25 118.48 1pqy h VAL 327 Ca 0.14 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1pqy h VAL 327 Cb 0.21 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1pqy h VAL 327 CO -0.01 0.39 0.17 0.00 0.02 0.00 0.00 177.57 178.14 1pqy h ALA 328 N 0.92 1.49 0.01 1.67 0.00 -1.06 -1.32 119.26 120.96 1pqy h ALA 328 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pqy h ALA 328 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pqy h ALA 328 CO 0.03 0.40 -0.00 -0.92 0.00 0.00 0.00 179.25 178.75 1pqy h TYR 329 N 0.61 -0.01 -0.84 0.00 3.20 -0.50 -3.37 116.97 116.07 1pqy h TYR 329 Ca 0.15 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1pqy h TYR 329 Cb 0.13 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1pqy h TYR 329 CO 0.01 0.74 0.46 -0.07 -1.64 0.00 0.00 178.16 177.66 1pqy h LEU 330 N -0.98 1.04 -1.27 2.82 3.38 -0.68 -2.53 115.31 117.09 1pqy h LEU 330 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pqy h LEU 330 Cb 0.76 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1pqy h LEU 330 CO 0.00 0.84 0.00 0.71 0.09 0.00 0.00 178.44 180.08 1pqy h THR 331 N 1.16 0.00 0.00 0.22 1.35 -1.42 0.24 112.91 114.46 1pqy h THR 331 Ca 0.29 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 66.04 1pqy h THR 331 Cb 0.02 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 1pqy h THR 331 CO -0.05 0.00 -0.11 1.56 -0.25 0.00 0.00 175.52 176.67 1pqy h GLN 332 N 0.00 0.00 -0.60 4.72 4.20 -1.61 -0.18 115.11 121.65 1pqy h GLN 332 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1pqy h GLN 332 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1pqy h GLN 332 CO 0.00 0.11 0.05 1.19 -0.67 0.00 0.00 178.83 179.51 1pqy n PHE 333 N -3.49 2.12 -2.25 2.96 3.01 0.07 -4.92 117.46 114.95 1pqy n PHE 333 Ca -0.01 -0.83 -0.20 0.00 1.01 0.00 0.00 57.45 57.42 1pqy n PHE 333 Cb 0.25 -0.54 -0.02 0.00 -0.01 0.00 0.00 39.48 39.16 1pqy n PHE 333 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pqy n ASP 334 N 0.42 -5.56 -4.72 4.37 4.64 -0.08 -4.63 116.55 110.98 1pqy n ASP 334 Ca 0.30 0.10 -0.41 0.00 -1.38 0.00 0.00 54.79 53.40 1pqy n ASP 334 Cb 1.23 -4.69 -0.04 0.00 -1.04 0.00 0.00 41.12 36.58 1pqy n ASP 334 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1pqy s ILE 335 N -2.93 4.57 -0.42 5.18 1.01 -1.22 -4.98 121.20 122.41 1pqy s ILE 335 Ca 0.00 2.06 -0.29 0.00 0.00 0.00 0.00 60.65 62.43 1pqy s ILE 335 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 38.17 1pqy s ILE 335 CO 0.00 0.29 1.31 -2.84 0.00 0.00 0.00 174.94 173.69 1pqy s PRO 336 N 0.20 3.67 0.18 2.79 0.02 -1.26 -4.51 135.00 136.09 1pqy s PRO 336 Ca 0.48 0.87 -0.23 0.00 0.02 0.00 0.00 61.00 62.13 1pqy s PRO 336 Cb -0.23 -3.97 0.06 0.00 0.02 0.00 0.00 34.50 30.38 1pqy s PRO 336 CO 0.30 -1.44 0.73 0.00 -0.33 0.00 0.00 177.00 176.25 1pqy s ALA 338 N -3.66 -1.83 0.56 0.00 0.00 -1.07 -4.98 121.76 110.77 1pqy s ALA 338 Ca 0.06 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1pqy s ALA 338 Cb -0.03 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 1pqy s ALA 338 CO -0.04 -0.53 1.01 -1.25 0.00 0.00 0.00 175.76 174.94 1pqy s PRO 339 N -2.29 3.78 -0.64 0.00 0.04 -1.26 -0.52 135.00 134.11 1pqy s PRO 339 Ca 0.00 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.67 1pqy s PRO 339 Cb -0.01 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1pqy s PRO 339 CO -0.03 -0.42 1.19 0.08 0.04 0.00 0.00 177.00 177.86 1pqy s VAL 340 N -2.80 3.96 -0.03 -0.36 1.01 -0.09 -4.80 120.40 117.29 1pqy s VAL 340 Ca 0.58 0.62 -0.27 0.00 0.00 0.00 0.00 61.98 62.91 1pqy s VAL 340 Cb -0.11 -4.78 -0.03 0.00 0.00 0.00 0.00 36.38 31.46 1pqy s VAL 340 CO 0.39 -1.51 0.86 -0.76 0.00 0.00 0.00 175.10 174.09 1pqy s LEU 341 N 5.10 4.34 0.00 3.92 1.02 -1.26 -4.73 118.68 127.07 1pqy s LEU 341 Ca 0.38 1.45 0.00 0.00 0.02 0.00 0.00 54.13 55.98 1pqy s LEU 341 Cb -0.09 -3.36 0.00 0.00 0.02 0.00 0.00 46.19 42.76 1pqy s LEU 341 CO 0.21 -0.20 0.00 -1.54 0.02 0.00 0.00 176.35 174.83 1pqy n SER 342 N 3.89 0.00 0.00 2.29 3.41 -1.26 -4.88 113.62 117.06 1pqy n SER 342 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1pqy n SER 342 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1pqy n SER 342 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1pqy n LYS 344 N 0.00 0.00 -0.18 4.33 3.00 -1.26 -1.43 118.16 122.63 1pqy n LYS 344 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1pqy n LYS 344 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 1pqy n LYS 344 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1pqy h GLU 345 N 0.00 0.58 -0.82 1.64 5.08 -1.98 -2.58 114.58 116.51 1pqy h GLU 345 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1pqy h GLU 345 Cb 0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1pqy h GLU 345 CO 0.00 0.38 0.43 0.82 -1.00 0.00 0.00 179.01 179.64 1pqy h ILE 346 N 0.60 1.25 0.00 3.13 2.04 -1.58 -0.93 117.51 122.01 1pqy h ILE 346 Ca 0.22 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1pqy h ILE 346 Cb 0.06 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1pqy h ILE 346 CO -0.11 0.29 -0.04 0.77 0.00 0.00 0.00 178.15 179.05 1pqy h SER 347 N 1.15 0.00 -0.09 1.72 4.64 -1.73 -2.92 113.55 116.32 1pqy h SER 347 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1pqy h SER 347 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1pqy h SER 347 CO -0.04 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1pqy n LEU 348 N -3.22 2.12 -4.68 5.97 4.77 -0.94 -5.00 117.00 116.02 1pqy n LEU 348 Ca -0.01 -1.24 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 1pqy n LEU 348 Cb 0.24 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1pqy n LEU 348 CO 0.26 0.45 1.27 -0.62 -1.33 0.00 0.00 177.39 177.42 1pqy s ASP 349 N -0.91 6.69 0.13 -1.43 2.15 -0.40 -4.91 116.67 117.99 1pqy s ASP 349 Ca 0.15 2.33 -0.16 0.00 0.43 0.00 0.00 52.55 55.29 1pqy s ASP 349 Cb 0.09 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1pqy s ASP 349 CO 0.14 -0.84 1.68 -0.65 -0.17 0.00 0.00 175.17 175.33 1pqy h PRO 350 N 8.36 0.57 -0.46 4.34 0.11 -1.91 -2.83 132.00 140.18 1pqy h PRO 350 Ca -0.40 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1pqy h PRO 350 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1pqy h PRO 350 CO 0.93 0.54 0.25 0.66 -0.21 0.00 0.00 178.00 180.16 1pqy h SER 351 N 0.47 0.57 0.09 -2.05 4.64 -1.98 0.14 113.55 115.43 1pqy h SER 351 Ca 0.13 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1pqy h SER 351 Cb 0.18 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pqy h SER 351 CO -0.01 0.50 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.36 1pqy h LEU 352 N 0.60 0.00 0.04 5.97 3.38 -1.90 1.17 115.31 124.57 1pqy h LEU 352 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1pqy h LEU 352 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1pqy h LEU 352 CO -0.03 0.02 -0.45 0.03 0.09 0.00 0.00 178.44 178.10 1pqy h ARG 353 N 0.00 0.23 -0.67 1.13 2.47 -1.00 0.18 114.38 116.71 1pqy h ARG 353 Ca -0.00 -0.31 -0.08 0.00 -1.26 0.00 0.00 59.98 58.34 1pqy h ARG 353 Cb 0.06 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1pqy h ARG 353 CO 0.00 1.07 0.12 0.37 0.56 0.00 0.00 179.97 182.09 1pqy h GLN 354 N -0.46 1.10 0.00 0.04 4.15 0.15 -2.35 115.11 117.75 1pqy h GLN 354 Ca -0.07 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1pqy h GLN 354 Cb 1.26 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1pqy h GLN 354 CO 0.09 1.00 0.00 -1.13 -1.93 0.00 0.00 178.83 176.86 1pqy n SER 355 N -4.21 0.36 0.00 -0.69 3.41 0.38 -4.91 113.62 107.96 1pqy n SER 355 Ca 0.05 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1pqy n SER 355 Cb 0.29 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1pqy n SER 355 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pqy n GLY 356 N 0.71 0.51 0.14 5.00 0.00 -0.88 -4.94 105.19 105.73 1pqy n GLY 356 Ca 0.05 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1pqy n GLY 356 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pqy h SER 357 N 0.00 0.52 -3.50 1.61 0.02 -1.00 -3.33 113.55 107.87 1pqy h SER 357 Ca 0.00 -0.79 -0.67 0.00 -0.84 0.00 0.00 61.79 59.50 1pqy h SER 357 Cb 0.00 -0.16 -0.29 0.00 0.14 0.00 0.00 62.40 62.09 1pqy h SER 357 CO 0.00 1.24 -0.70 -0.69 -1.14 0.00 0.00 176.83 175.54 1pqy s VAL 358 N -3.11 3.38 -0.09 2.27 1.01 0.03 -0.14 120.40 123.75 1pqy s VAL 358 Ca -0.13 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1pqy s VAL 358 Cb 0.03 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1pqy s VAL 358 CO 0.82 0.24 -0.15 -0.69 0.00 0.00 0.00 175.10 175.33 1pqy s VAL 359 N 1.43 2.95 -0.02 2.92 1.01 0.79 -4.20 120.40 125.27 1pqy s VAL 359 Ca 0.03 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1pqy s VAL 359 Cb -0.16 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1pqy s VAL 359 CO -0.02 0.55 0.70 -0.70 0.00 0.00 0.00 175.10 175.63 1pqy s GLU 360 N -0.09 4.43 0.00 2.72 2.12 -1.26 -1.18 118.70 125.44 1pqy s GLU 360 Ca -0.02 0.90 0.03 0.00 0.36 0.00 0.00 54.97 56.24 1pqy s GLU 360 Cb -0.14 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1pqy s GLU 360 CO 0.04 0.20 -0.09 0.08 -0.54 0.00 0.00 175.26 174.95 1pqy s VAL 361 N 0.33 0.67 -0.27 3.70 1.01 -0.53 -4.99 120.40 120.32 1pqy s VAL 361 Ca 0.36 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1pqy s VAL 361 Cb -0.19 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1pqy s VAL 361 CO 0.19 0.11 0.52 -0.70 0.00 0.00 0.00 175.10 175.23 1pqy s GLU 362 N -0.40 4.05 -0.15 2.72 2.56 -1.26 -1.80 118.70 124.41 1pqy s GLU 362 Ca 0.02 0.31 -0.02 0.00 0.00 0.00 0.00 54.97 55.28 1pqy s GLU 362 Cb -0.04 -3.66 -0.02 0.00 2.00 0.00 0.00 34.13 32.41 1pqy s GLU 362 CO -0.00 -0.37 -0.10 -1.14 -0.56 0.00 0.00 175.26 173.09 1pqy s GLN 363 N 2.33 3.45 0.36 4.30 2.00 0.19 -4.31 119.66 127.99 1pqy s GLN 363 Ca 0.21 -0.64 -0.27 0.00 -2.00 0.00 0.00 55.36 52.67 1pqy s GLN 363 Cb -0.16 -2.76 -0.12 0.00 0.80 0.00 0.00 33.01 30.78 1pqy s GLN 363 CO 0.09 0.16 1.14 -2.30 -0.50 0.00 0.00 175.29 173.88 1pqy n PRO 364 N 3.72 1.69 0.00 1.67 -0.02 -1.26 0.03 135.00 140.82 1pqy n PRO 364 Ca -0.18 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1pqy n PRO 364 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1pqy n PRO 364 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pqy n LEU 365 N 0.72 0.00 -0.13 2.45 4.77 -1.26 -4.56 117.00 118.99 1pqy n LEU 365 Ca 0.07 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1pqy n LEU 365 Cb 0.36 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1pqy n LEU 365 CO 0.60 0.00 -1.39 -1.14 -1.33 0.00 0.00 177.39 174.13 1pqy n ARG 366 N -0.49 0.60 0.00 3.23 0.63 -0.82 -5.10 116.66 114.71 1pqy n ARG 366 Ca 0.00 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1pqy n ARG 366 Cb 0.00 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.42 1pqy n ARG 366 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pqy n GLY 367 N 1.72 0.59 3.81 5.14 0.00 0.10 -4.96 105.19 111.60 1pqy n GLY 367 Ca -0.50 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 1pqy n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqy s LYS 368 N 0.00 4.28 0.09 1.61 1.02 -1.26 0.54 119.74 126.02 1pqy s LYS 368 Ca 0.00 0.91 -0.08 0.00 0.02 0.00 0.00 55.97 56.82 1pqy s LYS 368 Cb 0.00 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1pqy s LYS 368 CO 0.00 0.38 0.18 1.52 -0.92 0.00 0.00 175.35 176.51 1pqy s TYR 369 N -1.54 0.21 0.05 3.18 -0.85 -0.74 -4.95 117.35 112.72 1pqy s TYR 369 Ca 0.44 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 56.36 1pqy s TYR 369 Cb -0.17 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 1pqy s TYR 369 CO 0.21 -0.54 0.06 -0.51 -1.52 0.00 0.00 175.55 173.25 1pqy s LEU 370 N -2.88 3.74 0.13 -3.49 1.43 -1.26 -1.46 118.68 114.89 1pqy s LEU 370 Ca 0.06 -0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1pqy s LEU 370 Cb 0.05 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1pqy s LEU 370 CO -0.10 0.21 0.20 0.28 0.23 0.00 0.00 176.35 177.17 1pqy s THR 371 N -1.30 0.10 -0.09 5.49 -1.32 -0.33 -4.97 115.64 113.22 1pqy s THR 371 Ca 0.26 -1.44 -0.22 0.00 -1.21 0.00 0.00 61.69 59.08 1pqy s THR 371 Cb -0.12 -1.71 -0.04 0.00 -1.51 0.00 0.00 72.50 69.13 1pqy s THR 371 CO 0.19 -0.47 0.66 -0.69 -2.21 0.00 0.00 174.62 172.10 1pqy s VAL 372 N -3.95 5.07 0.00 5.08 1.01 -1.26 -0.15 120.40 126.20 1pqy s VAL 372 Ca 0.14 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1pqy s VAL 372 Cb 0.05 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1pqy s VAL 372 CO -0.04 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1pqy n GLY 373 N 3.19 -0.51 3.62 4.51 0.00 0.80 -4.86 105.19 111.94 1pqy n GLY 373 Ca -0.02 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1pqy n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqy n PRO 375 N 7.66 0.00 -3.68 0.00 -0.02 -1.26 -4.81 135.00 132.89 1pqy n PRO 375 Ca 0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 1pqy n PRO 375 Cb 0.46 -0.98 -0.09 0.00 -0.02 0.00 0.00 33.50 32.88 1pqy n PRO 375 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pqy s LYS 377 N -1.21 0.59 -0.05 -0.52 -0.14 -1.26 -5.02 119.74 112.13 1pqy s LYS 377 Ca 0.00 0.86 0.02 0.00 -1.36 0.00 0.00 55.97 55.49 1pqy s LYS 377 Cb 0.00 0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 36.31 1pqy s LYS 377 CO 0.00 -0.11 -0.10 -0.06 -0.76 0.00 0.00 175.35 174.32 1pqy s PHE 378 N 0.85 2.83 -0.40 3.18 0.40 -1.26 -5.02 117.98 118.56 1pqy s PHE 378 Ca -0.04 -0.06 0.23 0.00 -0.60 0.00 0.00 56.93 56.46 1pqy s PHE 378 Cb -0.05 -1.66 0.25 0.00 0.51 0.00 0.00 43.02 42.07 1pqy s PHE 378 CO -0.07 0.28 1.40 0.66 0.70 0.00 0.00 175.22 178.19 1pqy h SER 379 N 5.19 0.00 -0.20 1.36 4.64 -2.07 -3.32 113.55 119.15 1pqy h SER 379 Ca -0.48 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1pqy h SER 379 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1pqy h SER 379 CO 0.52 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.48 1pqy n ALA 380 N -2.09 2.44 -3.63 5.18 0.00 -1.26 -4.97 120.51 116.19 1pqy n ALA 380 Ca 0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 53.44 52.54 1pqy n ALA 380 Cb 0.52 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 1pqy n ALA 380 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1pqy s PHE 381 N -1.72 -0.40 -0.18 0.00 5.36 -1.25 -4.94 117.98 114.85 1pqy s PHE 381 Ca 0.33 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 1pqy s PHE 381 Cb 0.21 0.40 0.04 0.00 -0.34 0.00 0.00 43.02 43.33 1pqy s PHE 381 CO 0.30 -0.23 -0.09 0.99 -1.46 0.00 0.00 175.22 174.74 1pqy s THR 382 N -0.11 1.47 0.60 0.12 2.01 -1.26 -4.15 115.64 114.32 1pqy s THR 382 Ca 0.03 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 1pqy s THR 382 Cb -0.04 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 1pqy s THR 382 CO -0.05 0.18 1.25 -2.16 -0.69 0.00 0.00 174.62 173.15 1pqy s PRO 383 N 1.48 2.86 -0.42 4.92 0.04 -1.26 -4.99 135.00 137.63 1pqy s PRO 383 Ca -0.00 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1pqy s PRO 383 Cb -0.16 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.55 1pqy s PRO 383 CO -0.08 -1.33 0.20 0.34 0.04 0.00 0.00 177.00 176.16 1pqy s ASP 384 N -1.45 5.15 -0.09 6.66 2.15 -1.26 -5.07 116.67 122.77 1pqy s ASP 384 Ca 0.78 -2.14 -0.30 0.00 0.43 0.00 0.00 52.55 51.33 1pqy s ASP 384 Cb -0.34 -1.79 -0.03 0.00 -0.30 0.00 0.00 42.92 40.46 1pqy s ASP 384 CO 0.37 -0.50 1.27 -0.63 -0.17 0.00 0.00 175.17 175.52 1pqy s ILE 385 N 0.98 4.15 0.48 4.11 1.01 -1.26 -4.97 121.20 125.70 1pqy s ILE 385 Ca 0.10 1.45 0.02 0.00 0.00 0.00 0.00 60.65 62.22 1pqy s ILE 385 Cb -0.22 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 1pqy s ILE 385 CO -0.05 -0.05 0.03 -0.54 0.00 0.00 0.00 174.94 174.33 1pqy s LYS 386 N 2.79 2.12 0.91 2.79 1.02 -1.26 -4.95 119.74 123.15 1pqy s LYS 386 Ca 0.57 -2.33 -0.10 0.00 0.02 0.00 0.00 55.97 54.13 1pqy s LYS 386 Cb -0.25 -1.37 0.14 0.00 -0.52 0.00 0.00 37.83 35.83 1pqy s LYS 386 CO 0.20 -0.35 1.13 0.00 -0.92 0.00 0.00 175.35 175.41 1pqy s ALA 387 N -2.93 1.45 0.34 5.17 0.00 -1.26 -3.50 121.76 121.03 1pqy s ALA 387 Ca 0.12 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 1pqy s ALA 387 Cb 0.03 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1pqy s ALA 387 CO 0.06 -2.69 0.70 0.00 0.00 0.00 0.00 175.76 173.84 1pqy s ALA 388 N -2.68 3.41 0.38 0.00 0.00 -1.26 -2.39 121.76 119.22 1pqy s ALA 388 Ca 0.66 -0.17 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 1pqy s ALA 388 Cb -0.22 -2.64 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 1pqy s ALA 388 CO 0.58 0.22 0.98 -1.25 0.00 0.00 0.00 175.76 176.29 1pqy s PRO 389 N -3.36 4.33 0.51 0.00 0.04 -1.26 -4.87 135.00 130.39 1pqy s PRO 389 Ca 0.51 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 1pqy s PRO 389 Cb -0.10 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1pqy s PRO 389 CO 0.25 0.04 0.99 -0.51 0.04 0.00 0.00 177.00 177.81 1pqy s LEU 390 N -2.59 3.66 -0.05 -3.56 1.43 -1.26 -4.93 118.68 111.38 1pqy s LEU 390 Ca 0.56 1.64 -0.34 0.00 -1.03 0.00 0.00 54.13 54.95 1pqy s LEU 390 Cb -0.17 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.41 1pqy s LEU 390 CO 0.22 -0.65 1.80 -0.11 0.23 0.00 0.00 176.35 177.84 1pqy n LEU 391 N -1.50 3.28 -0.56 1.79 7.94 -1.26 -1.57 117.00 125.12 1pqy n LEU 391 Ca 0.07 1.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.90 1pqy n LEU 391 Cb 0.54 -1.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 1pqy n LEU 391 CO 0.45 -0.14 -0.07 0.61 -1.11 0.00 0.00 177.39 177.13 1pqy n GLY 392 N 4.16 0.85 0.36 -3.96 0.00 -1.25 -4.90 105.19 100.44 1pqy n GLY 392 Ca 0.22 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1pqy n GLY 392 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pqy h GLU 393 N 0.16 0.45 -0.34 1.61 4.81 -1.18 -2.63 114.58 117.46 1pqy h GLU 393 Ca -0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1pqy h GLU 393 Cb 0.78 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1pqy h GLU 393 CO 0.22 0.29 0.00 0.72 -0.73 0.00 0.00 179.01 179.51 1pqy n HIS 394 N -4.48 0.83 -0.01 0.92 8.25 0.59 -4.72 115.22 116.61 1pqy n HIS 394 Ca 0.11 -0.70 -0.09 0.00 -0.26 0.00 0.00 57.72 56.78 1pqy n HIS 394 Cb 0.40 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 1pqy n HIS 394 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1pqy h THR 395 N 2.17 0.67 -0.01 1.59 2.02 -1.20 -1.27 112.91 116.87 1pqy h THR 395 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1pqy h THR 395 Cb 1.17 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1pqy h THR 395 CO 0.14 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.04 1pqy h ALA 396 N 0.98 0.01 -0.62 6.16 0.00 -1.84 -2.24 119.26 121.71 1pqy h ALA 396 Ca 0.09 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1pqy h ALA 396 Cb 0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1pqy h ALA 396 CO -0.22 -0.42 0.21 0.00 0.00 0.00 0.00 179.25 178.81 1pqy h ALA 397 N 0.87 0.79 -0.52 0.00 0.00 -1.84 -0.26 119.26 118.30 1pqy h ALA 397 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1pqy h ALA 397 Cb 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pqy h ALA 397 CO -0.00 -0.23 -0.00 0.28 0.00 0.00 0.00 179.25 179.30 1pqy h VAL 398 N 0.37 1.26 -0.45 0.00 2.07 -1.14 -1.57 116.25 116.79 1pqy h VAL 398 Ca 0.32 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1pqy h VAL 398 Cb 0.43 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1pqy h VAL 398 CO -0.35 0.39 0.03 -0.07 0.02 0.00 0.00 177.57 177.59 1pqy h LEU 399 N 0.80 0.67 -0.59 2.57 3.38 -0.79 -1.68 115.31 119.67 1pqy h LEU 399 Ca 0.15 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1pqy h LEU 399 Cb 0.53 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1pqy h LEU 399 CO 0.03 0.72 0.15 1.56 0.09 0.00 0.00 178.44 180.98 1pqy h GLN 400 N 0.67 0.95 0.00 1.13 4.20 -0.78 -1.95 115.11 119.33 1pqy h GLN 400 Ca 0.14 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1pqy h GLN 400 Cb 0.37 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1pqy h GLN 400 CO 0.01 0.87 -0.13 0.93 -0.67 0.00 0.00 178.83 179.85 1pqy h GLU 401 N 0.86 0.00 -0.00 1.46 5.08 -0.78 -0.80 114.58 120.39 1pqy h GLU 401 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1pqy h GLU 401 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1pqy h GLU 401 CO 0.00 0.13 -0.00 1.28 -1.00 0.00 0.00 179.01 179.42 1pqy n LEU 402 N -3.73 0.47 0.00 1.33 4.77 -0.68 -4.90 117.00 114.25 1pqy n LEU 402 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1pqy n LEU 402 Cb 0.23 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1pqy n LEU 402 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1pqy n GLY 403 N 1.06 0.67 3.77 -0.72 0.00 -0.30 -5.07 105.19 104.60 1pqy n GLY 403 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1pqy n GLY 403 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pqy s TYR 404 N -2.34 3.40 0.72 1.61 1.51 -0.91 -5.02 117.35 116.32 1pqy s TYR 404 Ca 0.00 1.67 -0.08 0.00 -1.01 0.00 0.00 57.07 57.65 1pqy s TYR 404 Cb 0.00 -3.16 0.06 0.00 -0.11 0.00 0.00 41.96 38.74 1pqy s TYR 404 CO 0.00 -0.54 1.05 -1.54 -1.11 0.00 0.00 175.55 173.41 1pqy s SER 405 N -1.35 4.88 0.32 2.29 1.04 -1.26 -4.44 113.70 115.18 1pqy s SER 405 Ca 0.53 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.61 1pqy s SER 405 Cb -0.25 -1.29 0.54 0.00 0.10 0.00 0.00 66.02 65.11 1pqy s SER 405 CO 0.32 -1.59 1.89 0.44 0.98 0.00 0.00 173.24 175.27 1pqy h ASP 406 N -0.67 0.65 -0.47 7.02 3.32 -1.99 -0.99 116.42 123.29 1pqy h ASP 406 Ca -0.45 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 1pqy h ASP 406 Cb 1.31 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1pqy h ASP 406 CO 0.62 0.63 -0.08 0.44 -1.72 0.00 0.00 179.24 179.13 1pqy h ASP 407 N 0.70 0.89 -0.32 6.45 3.32 -1.99 -1.15 116.42 124.32 1pqy h ASP 407 Ca 0.16 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1pqy h ASP 407 Cb 0.21 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1pqy h ASP 407 CO -0.01 1.02 0.04 -0.33 -1.72 0.00 0.00 179.24 178.24 1pqy h GLU 408 N 0.73 0.54 -0.82 3.56 5.08 -1.85 -0.32 114.58 121.50 1pqy h GLU 408 Ca 0.12 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1pqy h GLU 408 Cb 0.61 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1pqy h GLU 408 CO 0.04 0.64 0.54 0.82 -1.00 0.00 0.00 179.01 180.06 1pqy h ILE 409 N 0.36 1.21 -0.68 3.13 2.04 -1.12 -2.31 117.51 120.15 1pqy h ILE 409 Ca 0.10 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1pqy h ILE 409 Cb 0.37 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1pqy h ILE 409 CO 0.01 0.20 0.20 0.00 0.00 0.00 0.00 178.15 178.56 1pqy h ALA 410 N 1.30 0.89 0.00 1.87 0.00 -0.97 -2.52 119.26 119.83 1pqy h ALA 410 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pqy h ALA 410 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1pqy h ALA 410 CO -0.06 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1pqy n ALA 411 N -2.43 1.64 0.00 0.00 0.00 -0.15 -1.31 120.51 118.26 1pqy n ALA 411 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1pqy n ALA 411 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1pqy n ALA 411 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pqy n LYS 413 N 0.75 0.00 -0.10 0.00 5.02 -0.95 -0.76 118.16 122.12 1pqy n LYS 413 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1pqy n LYS 413 Cb 0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.08 1pqy n LYS 413 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1pqy h GLN 414 N 0.00 0.59 -0.91 1.97 5.75 -1.47 -0.87 115.11 120.16 1pqy h GLN 414 Ca 0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 1pqy h GLN 414 Cb 0.00 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1pqy h GLN 414 CO 0.00 0.80 0.58 -0.91 -2.65 0.00 0.00 178.83 176.66 1pqy h ASN 415 N 0.35 1.07 -0.22 -0.69 2.35 -1.21 -0.71 115.58 116.51 1pqy h ASN 415 Ca 0.07 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1pqy h ASN 415 Cb 0.61 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1pqy h ASN 415 CO 0.04 0.79 -0.22 -0.74 -1.65 0.00 0.00 177.43 175.64 1pqy h HIS 416 N 1.25 0.77 -0.50 1.19 2.76 -1.77 0.12 115.15 118.97 1pqy h HIS 416 Ca 0.33 -0.17 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 1pqy h HIS 416 Cb -0.11 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 1pqy h HIS 416 CO 0.00 0.85 0.03 0.00 -1.30 0.00 0.00 177.93 177.51 1pqy h ALA 417 N 1.15 0.67 0.27 5.26 0.00 -0.37 -3.25 119.26 122.99 1pqy h ALA 417 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1pqy h ALA 417 Cb 0.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pqy h ALA 417 CO 0.05 0.45 -0.13 -0.84 0.00 0.00 0.00 179.25 178.78 1pqy h ILE 418 N 0.72 0.68 0.00 0.00 3.07 -0.88 -3.51 117.51 117.59 1pqy h ILE 418 Ca 0.14 -0.81 0.00 0.00 1.55 0.00 0.00 64.86 65.74 1pqy h ILE 418 Cb 0.47 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1pqy h ILE 418 CO 0.02 0.15 0.00 -1.84 -1.05 0.00 0.00 178.15 175.43