#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nhq s LYS 2 N 0.00 3.51 -0.07 2.12 2.20 -1.26 -0.99 119.74 125.25 1nhq s LYS 2 Ca 0.00 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.09 1nhq s LYS 2 Cb 0.00 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1nhq s LYS 2 CO 0.00 -0.01 -0.24 0.08 -0.36 0.00 0.00 175.35 174.82 1nhq s VAL 3 N 1.01 2.16 -0.12 4.02 1.01 -0.08 -1.02 120.40 127.38 1nhq s VAL 3 Ca 0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1nhq s VAL 3 Cb -0.15 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1nhq s VAL 3 CO 0.01 0.57 -0.08 -0.63 0.00 0.00 0.00 175.10 174.97 1nhq s ILE 4 N -0.12 3.55 -0.14 2.22 1.01 -0.79 -1.56 121.20 125.37 1nhq s ILE 4 Ca -0.05 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1nhq s ILE 4 Cb -0.14 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1nhq s ILE 4 CO 0.04 0.53 -0.18 -0.69 0.00 0.00 0.00 174.94 174.64 1nhq s VAL 5 N 0.00 2.43 -0.25 2.92 1.01 -0.16 -1.20 120.40 125.14 1nhq s VAL 5 Ca -0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1nhq s VAL 5 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1nhq s VAL 5 CO 0.03 0.53 0.26 -0.22 0.00 0.00 0.00 175.10 175.71 1nhq s LEU 6 N 0.72 4.07 0.00 3.92 0.20 -0.32 -1.44 118.68 125.83 1nhq s LEU 6 Ca -0.08 0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.92 1nhq s LEU 6 Cb -0.16 -2.25 0.00 0.00 -0.43 0.00 0.00 46.19 43.35 1nhq s LEU 6 CO 0.01 -0.06 0.00 0.61 -0.29 0.00 0.00 176.35 176.62 1nhq n GLY 7 N 4.58 2.45 1.27 7.98 0.00 -0.01 -1.39 105.19 120.07 1nhq n GLY 7 Ca -0.12 -1.40 0.10 0.00 0.00 0.00 0.00 46.02 44.60 1nhq n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nhq n SER 8 N 0.00 4.04 -1.70 1.61 3.41 -1.26 -3.86 113.62 115.86 1nhq n SER 8 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1nhq n SER 8 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1nhq n SER 8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nhq n SER 9 N 1.12 0.00 -0.29 4.04 2.88 -1.26 -3.37 113.62 116.74 1nhq n SER 9 Ca 0.22 -0.67 0.11 0.00 -1.33 0.00 0.00 58.87 57.20 1nhq n SER 9 Cb 0.69 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.43 1nhq n SER 9 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1nhq h HIS 10 N -0.24 0.52 -0.13 0.66 3.86 -1.93 -0.30 115.15 117.59 1nhq h HIS 10 Ca 0.00 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1nhq h HIS 10 Cb 0.00 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1nhq h HIS 10 CO 0.00 -0.08 -0.24 0.78 0.86 0.00 0.00 177.93 179.25 1nhq h GLY 11 N 0.35 0.43 0.91 2.45 0.00 -1.91 -2.74 103.07 102.56 1nhq h GLY 11 Ca 0.52 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 1nhq h GLY 11 CO -0.54 0.45 -0.33 -1.33 0.00 0.00 0.00 176.54 174.79 1nhq h GLY 12 N -0.02 0.65 0.50 4.60 0.00 -1.58 -2.87 103.07 104.36 1nhq h GLY 12 Ca 0.01 -0.73 0.06 0.00 0.00 0.00 0.00 47.33 46.66 1nhq h GLY 12 CO 0.05 0.66 0.01 -1.82 0.00 0.00 0.00 176.54 175.44 1nhq h TYR 13 N 0.28 -0.00 0.00 5.60 3.20 -1.14 -2.23 116.97 122.68 1nhq h TYR 13 Ca 0.02 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1nhq h TYR 13 Cb 0.91 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1nhq h TYR 13 CO 0.09 -0.05 -0.40 0.93 -1.64 0.00 0.00 178.16 177.09 1nhq h GLU 14 N 0.10 0.00 -0.55 1.82 4.39 -1.49 -1.81 114.58 117.05 1nhq h GLU 14 Ca 0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1nhq h GLU 14 Cb 0.21 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1nhq h GLU 14 CO -0.26 0.40 0.27 0.00 -1.16 0.00 0.00 179.01 178.27 1nhq h ALA 15 N 1.60 0.70 -0.44 3.43 0.00 -1.26 -0.86 119.26 122.43 1nhq h ALA 15 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1nhq h ALA 15 Cb 0.88 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1nhq h ALA 15 CO 0.05 0.26 0.20 0.28 0.00 0.00 0.00 179.25 180.04 1nhq h VAL 16 N 0.74 1.19 -0.36 0.00 2.07 -0.93 -0.51 116.25 118.44 1nhq h VAL 16 Ca 0.19 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1nhq h VAL 16 Cb 0.10 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1nhq h VAL 16 CO -0.03 0.20 0.19 -0.33 0.02 0.00 0.00 177.57 177.63 1nhq h GLU 17 N 0.57 0.38 0.00 1.57 4.39 -1.12 -1.04 114.58 119.32 1nhq h GLU 17 Ca 0.15 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 1nhq h GLU 17 Cb 0.13 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1nhq h GLU 17 CO -0.02 0.25 -0.50 1.49 -1.16 0.00 0.00 179.01 179.08 1nhq h GLU 18 N 0.39 0.00 -0.57 2.33 4.57 -0.94 -2.07 114.58 118.30 1nhq h GLU 18 Ca 0.15 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1nhq h GLU 18 Cb 0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1nhq h GLU 18 CO -0.09 0.50 0.07 -0.07 -1.18 0.00 0.00 179.01 178.24 1nhq h LEU 19 N 0.00 0.89 -0.93 1.64 3.38 -0.59 0.08 115.31 119.78 1nhq h LEU 19 Ca -0.01 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1nhq h LEU 19 Cb 0.90 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1nhq h LEU 19 CO 0.07 0.91 -0.28 -0.07 0.09 0.00 0.00 178.44 179.16 1nhq h LEU 20 N 0.88 0.45 0.00 1.67 4.07 -0.52 0.44 115.31 122.30 1nhq h LEU 20 Ca 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1nhq h LEU 20 Cb 0.42 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1nhq h LEU 20 CO 0.01 0.73 -0.93 -0.46 -1.08 0.00 0.00 178.44 176.70 1nhq n ASN 21 N -4.10 0.73 -0.02 -0.43 2.04 -0.97 -3.79 115.26 108.71 1nhq n ASN 21 Ca -0.01 -0.57 0.04 0.00 -0.44 0.00 0.00 54.58 53.61 1nhq n ASN 21 Cb 0.42 0.82 -0.11 0.00 -2.53 0.00 0.00 39.78 38.38 1nhq n ASN 21 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1nhq n LEU 22 N -1.65 0.00 -3.19 -4.53 4.77 -0.00 -4.77 117.00 107.63 1nhq n LEU 22 Ca 0.03 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 1nhq n LEU 22 Cb 0.37 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1nhq n LEU 22 CO 0.40 0.07 -0.24 1.41 -1.33 0.00 0.00 177.39 177.71 1nhq n HIS 23 N -2.11 0.12 0.28 -1.77 8.25 0.15 -4.96 115.22 115.19 1nhq n HIS 23 Ca -0.07 -3.76 0.15 0.00 -0.26 0.00 0.00 57.72 53.78 1nhq n HIS 23 Cb 0.50 -0.41 0.88 0.00 1.12 0.00 0.00 29.99 32.08 1nhq n HIS 23 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1nhq h PRO 24 N 3.24 0.00 0.00 -0.41 0.11 -1.65 -0.27 132.00 133.02 1nhq h PRO 24 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1nhq h PRO 24 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1nhq h PRO 24 CO 0.50 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.67 1nhq h ASP 25 N 0.00 0.00 -4.19 -2.05 2.03 -1.90 -3.47 116.42 106.84 1nhq h ASP 25 Ca 0.01 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.82 1nhq h ASP 25 Cb 0.07 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 38.64 1nhq h ASP 25 CO -0.00 0.00 0.38 0.00 -1.03 0.00 0.00 179.24 178.59 1nhq s ALA 26 N -3.34 2.72 -0.26 4.15 0.00 -0.11 -4.77 121.76 120.14 1nhq s ALA 26 Ca 0.05 0.43 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 1nhq s ALA 26 Cb 0.09 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1nhq s ALA 26 CO 0.52 -0.82 0.58 -2.00 0.00 0.00 0.00 175.76 174.04 1nhq s GLU 27 N -4.01 4.07 -0.14 0.00 2.12 -0.16 -5.00 118.70 115.58 1nhq s GLU 27 Ca 0.64 0.42 0.02 0.00 0.36 0.00 0.00 54.97 56.41 1nhq s GLU 27 Cb -0.17 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.57 1nhq s GLU 27 CO 0.36 -0.40 -0.21 0.42 -0.54 0.00 0.00 175.26 174.89 1nhq s ILE 28 N 2.42 2.18 -0.07 -3.70 1.01 -1.26 -0.90 121.20 120.89 1nhq s ILE 28 Ca 0.24 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1nhq s ILE 28 Cb -0.15 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1nhq s ILE 28 CO 0.09 0.54 -0.12 -1.10 0.00 0.00 0.00 174.94 174.35 1nhq s GLN 29 N 0.79 2.78 -0.16 2.79 -0.21 -0.60 -1.25 119.66 123.80 1nhq s GLN 29 Ca -0.07 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1nhq s GLN 29 Cb -0.16 -2.50 0.03 0.00 1.00 0.00 0.00 33.01 31.38 1nhq s GLN 29 CO -0.01 0.54 -0.13 -0.46 -2.12 0.00 0.00 175.29 173.11 1nhq s TRP 30 N -0.50 2.16 -0.06 0.91 -0.00 -0.01 -0.99 118.94 120.45 1nhq s TRP 30 Ca 0.07 -1.26 -0.01 0.00 -0.00 0.00 0.00 56.10 54.90 1nhq s TRP 30 Cb -0.12 -1.57 -0.03 0.00 -0.00 0.00 0.00 33.47 31.75 1nhq s TRP 30 CO 0.02 -0.67 -0.01 0.71 -0.00 0.00 0.00 176.95 177.00 1nhq s TYR 31 N 1.49 3.10 -0.08 5.86 1.51 -0.52 -0.43 117.35 128.28 1nhq s TYR 31 Ca 0.04 0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1nhq s TYR 31 Cb -0.14 -1.74 0.05 0.00 -0.11 0.00 0.00 41.96 40.02 1nhq s TYR 31 CO -0.10 0.45 0.15 -2.00 -1.11 0.00 0.00 175.55 172.94 1nhq s GLU 32 N -1.06 0.04 0.48 -0.62 2.56 -0.15 -0.83 118.70 119.12 1nhq s GLU 32 Ca 0.15 0.53 0.27 0.00 0.00 0.00 0.00 54.97 55.92 1nhq s GLU 32 Cb -0.11 -0.27 0.99 0.00 2.00 0.00 0.00 34.13 36.74 1nhq s GLU 32 CO 0.04 -0.29 1.84 1.57 -0.56 0.00 0.00 175.26 177.87 1nhq h LYS 33 N 8.20 0.00 -7.45 4.30 2.10 -1.77 0.11 116.57 122.06 1nhq h LYS 33 Ca -0.17 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.02 1nhq h LYS 33 Cb 1.12 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 32.54 1nhq h LYS 33 CO 0.18 0.11 0.30 0.20 -2.00 0.00 0.00 179.45 178.25 1nhq s GLY 34 N -4.24 1.67 0.35 0.07 0.00 -1.26 -3.86 107.32 100.05 1nhq s GLY 34 Ca 0.02 -0.90 0.23 0.00 0.00 0.00 0.00 44.72 44.07 1nhq s GLY 34 CO 0.61 -0.42 1.47 -1.80 0.00 0.00 0.00 173.10 172.95 1nhq h ASP 35 N -0.85 0.00 -3.42 1.64 3.58 -1.95 -1.44 116.42 113.98 1nhq h ASP 35 Ca -0.45 -0.01 -0.63 0.00 0.42 0.00 0.00 57.03 56.37 1nhq h ASP 35 Cb 1.31 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 42.03 1nhq h ASP 35 CO 0.59 0.00 -0.86 0.12 -2.88 0.00 0.00 179.24 176.21 1nhq s PHE 36 N -3.24 2.20 -0.05 0.28 2.19 -1.26 -4.89 117.98 113.21 1nhq s PHE 36 Ca 0.05 -0.86 -0.26 0.00 0.33 0.00 0.00 56.93 56.19 1nhq s PHE 36 Cb 0.07 -1.50 -0.03 0.00 -1.31 0.00 0.00 43.02 40.25 1nhq s PHE 36 CO 0.70 -0.36 0.80 0.42 1.83 0.00 0.00 175.22 178.61 1nhq s ILE 37 N 0.40 4.98 -1.36 3.12 -1.09 -1.26 -4.51 121.20 121.47 1nhq s ILE 37 Ca -0.16 1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 59.90 1nhq s ILE 37 Cb -0.17 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1nhq s ILE 37 CO 0.07 0.20 0.68 -1.20 -1.23 0.00 0.00 174.94 173.46 1nhq n SER 38 N 3.93 -1.43 -4.74 3.58 7.64 -1.22 -4.71 113.62 116.67 1nhq n SER 38 Ca 0.02 -0.86 -0.41 0.00 1.01 0.00 0.00 58.87 58.63 1nhq n SER 38 Cb 0.51 -3.81 -0.03 0.00 -1.01 0.00 0.00 64.21 59.86 1nhq n SER 38 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1nhq s PHE 39 N -3.68 3.41 -0.76 1.43 5.36 -1.26 -2.88 117.98 119.60 1nhq s PHE 39 Ca 0.09 1.43 -0.20 0.00 -0.96 0.00 0.00 56.93 57.30 1nhq s PHE 39 Cb -0.05 -3.44 0.11 0.00 -0.34 0.00 0.00 43.02 39.31 1nhq s PHE 39 CO 0.83 -1.22 0.95 -1.17 -1.46 0.00 0.00 175.22 173.15 1nhq s LEU 40 N -0.38 5.06 0.53 6.12 2.96 -0.02 -4.88 118.68 128.08 1nhq s LEU 40 Ca 0.52 -1.63 0.30 0.00 -0.22 0.00 0.00 54.13 53.10 1nhq s LEU 40 Cb -0.33 -2.37 1.49 0.00 0.50 0.00 0.00 46.19 45.48 1nhq s LEU 40 CO 0.38 -1.15 2.07 0.28 -1.32 0.00 0.00 176.35 176.60 1nhq h SER 41 N 9.07 0.00 -0.00 3.68 0.02 -1.94 -0.69 113.55 123.69 1nhq h SER 41 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1nhq h SER 41 Cb 1.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 1nhq h SER 41 CO 1.10 0.10 0.01 0.28 -1.14 0.00 0.00 176.83 177.18 1nhq h SER 42 N 0.00 0.00 -0.48 3.07 0.02 -1.98 -2.27 113.55 111.91 1nhq h SER 42 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nhq h SER 42 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1nhq h SER 42 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1nhq n GLY 43 N -1.20 1.47 0.33 -3.77 0.00 -0.26 -4.47 105.19 97.28 1nhq n GLY 43 Ca -0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 1nhq n GLY 43 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nhq h MET 44 N 3.34 1.11 -0.71 1.61 4.05 -1.50 -2.78 114.93 120.04 1nhq h MET 44 Ca 0.00 -0.23 -0.06 0.00 -0.28 0.00 0.00 59.70 59.13 1nhq h MET 44 Cb 0.75 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 1nhq h MET 44 CO 0.00 0.94 0.20 0.37 0.23 0.00 0.00 176.91 178.64 1nhq h GLN 45 N 1.07 1.10 -0.77 0.39 4.15 -1.82 0.11 115.11 119.34 1nhq h GLN 45 Ca 0.23 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1nhq h GLN 45 Cb 0.28 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1nhq h GLN 45 CO -0.01 0.96 0.42 -0.07 -1.93 0.00 0.00 178.83 178.19 1nhq h LEU 46 N 1.06 0.95 -0.11 -2.39 3.38 -1.81 -0.53 115.31 115.85 1nhq h LEU 46 Ca 0.23 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1nhq h LEU 46 Cb 0.33 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1nhq h LEU 46 CO -0.00 0.77 -0.09 0.22 0.09 0.00 0.00 178.44 179.43 1nhq h TYR 47 N 1.07 0.30 -0.41 1.13 3.20 -1.24 0.22 116.97 121.24 1nhq h TYR 47 Ca 0.27 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1nhq h TYR 47 Cb 0.03 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1nhq h TYR 47 CO 0.01 0.65 0.19 -0.07 -1.64 0.00 0.00 178.16 177.30 1nhq h LEU 48 N -0.14 0.50 -0.23 2.82 3.38 -0.67 -1.13 115.31 119.84 1nhq h LEU 48 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1nhq h LEU 48 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1nhq h LEU 48 CO 0.02 0.44 -0.04 -0.62 0.09 0.00 0.00 178.44 178.33 1nhq n GLU 49 N -4.40 0.92 -0.62 1.13 1.02 -0.24 -4.91 120.64 113.55 1nhq n GLU 49 Ca 0.03 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1nhq n GLU 49 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1nhq n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nhq n GLY 50 N 1.16 0.70 0.23 0.62 0.00 -0.43 -4.92 105.19 102.55 1nhq n GLY 50 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1nhq n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nhq h LYS 51 N 2.23 0.73 -5.31 1.61 3.11 -1.17 -3.41 116.57 114.37 1nhq h LYS 51 Ca 0.00 -0.46 -0.66 0.00 -2.81 0.00 0.00 60.65 56.72 1nhq h LYS 51 Cb 0.00 0.05 -0.27 0.00 -1.00 0.00 0.00 32.23 31.01 1nhq h LYS 51 CO 0.00 1.09 -0.77 0.08 -2.81 0.00 0.00 179.45 177.04 1nhq s VAL 52 N -4.07 3.00 -0.07 2.00 1.01 -1.02 -4.99 120.40 116.25 1nhq s VAL 52 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1nhq s VAL 52 Cb 0.11 -2.26 -0.25 0.00 0.00 0.00 0.00 36.38 33.98 1nhq s VAL 52 CO 0.87 0.52 0.55 0.11 0.00 0.00 0.00 175.10 177.15 1nhq h LYS 53 N 6.77 0.17 -4.82 2.72 6.56 -1.90 -3.40 116.57 122.68 1nhq h LYS 53 Ca -0.26 -0.30 -0.68 0.00 -1.06 0.00 0.00 60.65 58.36 1nhq h LYS 53 Cb 1.21 0.11 -0.18 0.00 -0.57 0.00 0.00 32.23 32.80 1nhq h LYS 53 CO 0.55 0.95 -0.34 0.34 -2.06 0.00 0.00 179.45 178.90 1nhq s ASP 54 N -6.70 6.14 0.44 0.86 2.15 -1.26 -4.95 116.67 113.35 1nhq s ASP 54 Ca -0.14 -0.45 0.12 0.00 0.43 0.00 0.00 52.55 52.51 1nhq s ASP 54 Cb 0.07 -2.18 0.98 0.00 -0.30 0.00 0.00 42.92 41.49 1nhq s ASP 54 CO 0.80 -0.37 2.02 1.62 -0.17 0.00 0.00 175.17 179.07 1nhq h VAL 55 N 5.57 1.11 0.00 1.11 3.04 -1.99 -1.97 116.25 123.12 1nhq h VAL 55 Ca -0.29 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1nhq h VAL 55 Cb 1.14 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1nhq h VAL 55 CO 0.70 0.14 0.00 0.59 -1.01 0.00 0.00 177.57 177.99 1nhq n ASN 56 N -4.39 0.14 -0.31 3.17 3.02 -1.26 -2.08 115.26 113.56 1nhq n ASN 56 Ca -0.01 0.53 0.13 0.00 -0.03 0.00 0.00 54.58 55.19 1nhq n ASN 56 Cb 0.18 -0.56 0.34 0.00 -0.61 0.00 0.00 39.78 39.13 1nhq n ASN 56 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1nhq n SER 57 N -1.65 1.21 -4.05 6.41 3.41 -0.74 -4.55 113.62 113.66 1nhq n SER 57 Ca 0.04 -1.04 -0.43 0.00 -0.26 0.00 0.00 58.87 57.19 1nhq n SER 57 Cb 0.24 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1nhq n SER 57 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1nhq n VAL 58 N -0.47 4.14 -3.89 -3.33 0.31 -0.88 -4.81 118.33 109.40 1nhq n VAL 58 Ca 0.13 -4.22 -0.08 0.00 -0.01 0.00 0.00 64.34 60.15 1nhq n VAL 58 Cb 0.37 -2.42 -0.02 0.00 -0.91 0.00 0.00 33.84 30.85 1nhq n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nhq s ARG 59 N 1.48 1.80 0.00 5.55 1.70 -1.26 -0.84 118.95 127.38 1nhq s ARG 59 Ca 0.43 -1.14 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1nhq s ARG 59 Cb 0.07 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 35.02 1nhq s ARG 59 CO -0.00 -0.81 0.42 2.48 -1.08 0.00 0.00 175.30 176.30 1nhq n TYR 60 N -0.46 0.00 -3.47 5.89 0.18 -1.14 -4.89 117.16 113.27 1nhq n TYR 60 Ca -0.04 -0.08 -0.13 0.00 1.88 0.00 0.00 57.90 59.53 1nhq n TYR 60 Cb 0.60 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.52 1nhq n TYR 60 CO 0.00 0.00 0.00 1.41 -2.08 0.00 0.00 176.86 176.19 1nhq s MET 61 N -0.16 1.09 0.21 -3.48 0.00 -1.26 -5.12 119.30 110.57 1nhq s MET 61 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 55.69 55.59 1nhq s MET 61 Cb 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 34.83 35.29 1nhq s MET 61 CO 0.00 -0.43 -0.15 0.95 0.00 0.00 0.00 175.02 175.39 1nhq s THR 62 N -2.68 1.81 0.19 10.11 -4.23 -1.26 -4.55 115.64 115.03 1nhq s THR 62 Ca -0.02 -2.20 -0.10 0.00 -1.18 0.00 0.00 61.69 58.19 1nhq s THR 62 Cb -0.01 -2.04 0.12 0.00 1.34 0.00 0.00 72.50 71.91 1nhq s THR 62 CO -0.04 -0.55 1.77 1.23 -0.54 0.00 0.00 174.62 176.49 1nhq h GLY 63 N 2.61 1.09 0.40 3.99 0.00 -2.00 -2.82 103.07 106.34 1nhq h GLY 63 Ca -0.39 -0.56 0.07 0.00 0.00 0.00 0.00 47.33 46.45 1nhq h GLY 63 CO 0.61 0.53 -0.00 -2.09 0.00 0.00 0.00 176.54 175.58 1nhq h GLU 64 N 0.98 0.10 -0.48 4.80 4.81 -1.99 -0.27 114.58 122.53 1nhq h GLU 64 Ca 0.24 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1nhq h GLU 64 Cb 0.15 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1nhq h GLU 64 CO -0.03 0.06 0.27 -0.22 -0.73 0.00 0.00 179.01 178.36 1nhq h LYS 65 N 0.10 0.67 -0.28 1.92 1.63 -1.96 -1.96 116.57 116.69 1nhq h LYS 65 Ca 0.18 -0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1nhq h LYS 65 Cb 0.26 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1nhq h LYS 65 CO -0.31 0.52 -0.24 0.52 -3.45 0.00 0.00 179.45 176.50 1nhq h MET 66 N 0.64 0.54 -0.37 1.90 2.86 -1.13 -2.54 114.93 116.83 1nhq h MET 66 Ca 0.17 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1nhq h MET 66 Cb 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1nhq h MET 66 CO -0.03 0.74 -0.05 0.93 1.06 0.00 0.00 176.91 179.56 1nhq h GLU 67 N 0.48 0.61 -0.06 1.72 5.08 -0.80 -0.81 114.58 120.80 1nhq h GLU 67 Ca 0.07 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1nhq h GLU 67 Cb 0.67 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nhq h GLU 67 CO 0.05 0.67 0.06 0.77 -1.00 0.00 0.00 179.01 179.57 1nhq h SER 68 N 0.57 0.00 -0.40 1.42 0.02 -0.93 -0.51 113.55 113.72 1nhq h SER 68 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1nhq h SER 68 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1nhq h SER 68 CO 0.02 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.25 1nhq n ARG 69 N -3.93 2.05 -0.64 3.45 1.74 -0.36 -4.92 116.66 114.04 1nhq n ARG 69 Ca -0.01 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 1nhq n ARG 69 Cb 0.16 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1nhq n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nhq n GLY 70 N 1.24 0.64 3.85 -0.13 0.00 -0.20 -5.06 105.19 105.53 1nhq n GLY 70 Ca 0.16 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1nhq n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nhq s VAL 71 N -2.00 5.01 -0.55 1.61 1.01 -0.89 -4.69 120.40 119.90 1nhq s VAL 71 Ca 0.00 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.46 1nhq s VAL 71 Cb 0.00 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1nhq s VAL 71 CO 0.00 0.42 0.88 0.20 0.00 0.00 0.00 175.10 176.59 1nhq s ASN 72 N -1.44 6.31 -0.13 3.32 -0.87 -0.38 -3.98 114.94 117.77 1nhq s ASN 72 Ca 0.30 -0.49 -0.13 0.00 -1.57 0.00 0.00 52.86 50.96 1nhq s ASN 72 Cb -0.15 -2.41 -0.05 0.00 -0.02 0.00 0.00 41.25 38.62 1nhq s ASN 72 CO 0.16 -1.17 0.29 -0.69 -2.57 0.00 0.00 177.10 173.13 1nhq s VAL 73 N 3.68 5.29 -0.41 1.60 1.01 -1.26 -0.83 120.40 129.48 1nhq s VAL 73 Ca 0.27 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.82 1nhq s VAL 73 Cb -0.14 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.74 1nhq s VAL 73 CO 0.17 0.44 0.16 -0.36 0.00 0.00 0.00 175.10 175.51 1nhq s PHE 74 N 0.07 2.81 0.54 5.22 0.40 0.42 -4.95 117.98 122.50 1nhq s PHE 74 Ca 0.17 -2.68 -0.06 0.00 -0.60 0.00 0.00 56.93 53.76 1nhq s PHE 74 Cb -0.13 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.95 1nhq s PHE 74 CO 0.05 -0.84 0.85 -1.54 0.70 0.00 0.00 175.22 174.44 1nhq s SER 75 N 0.59 5.95 -1.55 1.36 1.04 -1.26 -0.98 113.70 118.85 1nhq s SER 75 Ca 0.14 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.41 1nhq s SER 75 Cb -0.22 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1nhq s SER 75 CO -0.07 -0.82 0.13 0.59 0.98 0.00 0.00 173.24 174.05 1nhq n ASN 76 N -2.43 -5.37 -3.87 7.02 3.02 0.31 -4.89 115.26 109.05 1nhq n ASN 76 Ca 0.03 -0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 1nhq n ASN 76 Cb 0.56 -4.46 -0.17 0.00 -0.61 0.00 0.00 39.78 35.10 1nhq n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nhq s THR 77 N -2.96 0.70 -0.11 3.41 2.01 -0.80 -0.45 115.64 117.44 1nhq s THR 77 Ca 0.07 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1nhq s THR 77 Cb -0.03 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1nhq s THR 77 CO 0.09 0.30 0.04 -0.70 -0.69 0.00 0.00 174.62 173.66 1nhq s GLU 78 N 1.52 3.30 -0.33 4.92 2.12 -0.05 -2.58 118.70 127.60 1nhq s GLU 78 Ca -0.01 -0.34 -0.21 0.00 0.36 0.00 0.00 54.97 54.77 1nhq s GLU 78 Cb -0.13 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.30 1nhq s GLU 78 CO -0.04 0.62 0.67 0.42 -0.54 0.00 0.00 175.26 176.39 1nhq s ILE 79 N -0.62 4.87 -0.04 -3.70 1.01 -1.26 -0.50 121.20 120.96 1nhq s ILE 79 Ca 0.11 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.64 1nhq s ILE 79 Cb -0.12 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.04 1nhq s ILE 79 CO 0.02 -0.26 0.67 0.74 0.00 0.00 0.00 174.94 176.12 1nhq h THR 80 N 5.63 0.89 -2.75 2.92 2.02 -1.50 -3.49 112.91 116.62 1nhq h THR 80 Ca -0.26 -2.70 -0.02 0.00 0.77 0.00 0.00 66.41 64.21 1nhq h THR 80 Cb 1.11 2.50 -0.14 0.00 -1.74 0.00 0.00 68.15 69.88 1nhq h THR 80 CO 0.84 0.63 0.22 0.00 0.37 0.00 0.00 175.52 177.58 1nhq s ALA 81 N -2.60 -1.65 -0.06 6.16 0.00 -1.20 -4.98 121.76 117.43 1nhq s ALA 81 Ca -0.08 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1nhq s ALA 81 Cb 0.08 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1nhq s ALA 81 CO 0.82 -0.68 -0.25 0.42 0.00 0.00 0.00 175.76 176.07 1nhq s ILE 82 N -3.19 2.10 -0.74 0.00 1.01 -1.26 -1.71 121.20 117.41 1nhq s ILE 82 Ca -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1nhq s ILE 82 Cb -0.01 -1.76 0.18 0.00 0.01 0.00 0.00 42.46 40.89 1nhq s ILE 82 CO -0.08 0.57 0.58 -1.10 0.00 0.00 0.00 174.94 174.90 1nhq s GLN 83 N -0.18 2.81 0.25 2.79 1.11 0.27 -4.99 119.66 121.73 1nhq s GLN 83 Ca -0.03 -2.95 -0.06 0.00 0.01 0.00 0.00 55.36 52.33 1nhq s GLN 83 Cb -0.14 -3.76 0.27 0.00 -1.01 0.00 0.00 33.01 28.37 1nhq s GLN 83 CO 0.03 -1.22 1.88 -1.35 0.01 0.00 0.00 175.29 174.64 1nhq h PRO 84 N 6.37 1.21 -0.26 2.91 0.11 -1.93 -1.96 132.00 138.45 1nhq h PRO 84 Ca 0.07 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1nhq h PRO 84 Cb 0.87 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1nhq h PRO 84 CO 0.77 0.88 -0.01 0.87 -0.21 0.00 0.00 178.00 180.30 1nhq h LYS 85 N 1.22 0.46 -0.08 1.05 1.57 -1.94 -2.90 116.57 115.95 1nhq h LYS 85 Ca 0.31 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1nhq h LYS 85 Cb 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1nhq h LYS 85 CO -0.05 0.63 0.00 -0.85 -0.57 0.00 0.00 179.45 178.61 1nhq n GLU 86 N -4.61 1.47 -3.41 3.15 0.00 -1.18 -4.92 120.64 111.14 1nhq n GLU 86 Ca -0.03 -0.70 -0.18 0.00 0.00 0.00 0.00 57.16 56.24 1nhq n GLU 86 Cb 0.25 -1.40 0.07 0.00 0.00 0.00 0.00 31.44 30.36 1nhq n GLU 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1nhq n HIS 87 N -0.10 -2.26 -4.14 -1.84 8.25 -0.77 -4.89 115.22 109.47 1nhq n HIS 87 Ca 0.17 0.83 -0.13 0.00 -0.26 0.00 0.00 57.72 58.33 1nhq n HIS 87 Cb 0.25 -4.33 -0.11 0.00 1.12 0.00 0.00 29.99 26.92 1nhq n HIS 87 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1nhq s GLN 88 N -5.04 0.74 0.07 -0.41 -0.21 -1.00 -1.36 119.66 112.45 1nhq s GLN 88 Ca 0.28 -1.07 0.05 0.00 0.02 0.00 0.00 55.36 54.64 1nhq s GLN 88 Cb -0.05 -0.39 -0.03 0.00 1.00 0.00 0.00 33.01 33.55 1nhq s GLN 88 CO 0.76 0.05 -0.15 0.14 -2.12 0.00 0.00 175.29 173.97 1nhq s VAL 89 N -2.37 1.17 -0.15 1.09 -7.23 0.05 -0.56 120.40 112.40 1nhq s VAL 89 Ca 0.02 -1.29 -0.06 0.00 -1.81 0.00 0.00 61.98 58.84 1nhq s VAL 89 Cb -0.03 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1nhq s VAL 89 CO -0.01 -0.18 0.06 0.28 -0.31 0.00 0.00 175.10 174.94 1nhq s THR 90 N -1.20 4.75 0.12 5.32 -1.32 -0.69 -0.76 115.64 121.86 1nhq s THR 90 Ca -0.01 -0.06 0.10 0.00 -1.21 0.00 0.00 61.69 60.51 1nhq s THR 90 Cb -0.10 -3.10 -0.04 0.00 -1.51 0.00 0.00 72.50 67.76 1nhq s THR 90 CO 0.02 0.52 -0.23 0.68 -2.21 0.00 0.00 174.62 173.41 1nhq s VAL 91 N -0.13 2.54 -0.12 5.08 -7.23 -0.03 -1.17 120.40 119.35 1nhq s VAL 91 Ca 0.07 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1nhq s VAL 91 Cb -0.12 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1nhq s VAL 91 CO 0.01 0.11 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.05 1nhq s LYS 92 N -2.04 1.92 -0.42 4.82 2.20 0.34 -1.41 119.74 125.16 1nhq s LYS 92 Ca 0.16 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 1nhq s LYS 92 Cb -0.10 -1.78 0.02 0.00 -1.51 0.00 0.00 37.83 34.46 1nhq s LYS 92 CO 0.08 -0.18 1.24 0.34 -0.36 0.00 0.00 175.35 176.47 1nhq s ASP 93 N 1.35 6.57 0.52 1.43 -1.08 -0.13 -0.87 116.67 124.46 1nhq s ASP 93 Ca -0.00 0.73 0.28 0.00 -0.52 0.00 0.00 52.55 53.03 1nhq s ASP 93 Cb -0.14 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.17 1nhq s ASP 93 CO -0.06 -1.26 2.03 -0.07 0.52 0.00 0.00 175.17 176.33 1nhq h LEU 94 N 11.41 0.00 0.25 -1.34 4.07 -1.07 0.17 115.31 128.79 1nhq h LEU 94 Ca -0.25 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.39 1nhq h LEU 94 Cb 1.08 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.86 1nhq h LEU 94 CO 1.09 0.13 -1.44 -0.37 -1.08 0.00 0.00 178.44 176.77 1nhq h VAL 95 N 0.00 1.29 -0.00 1.22 -1.51 -1.91 -3.37 116.25 111.97 1nhq h VAL 95 Ca -0.00 -2.69 0.00 0.00 -1.23 0.00 0.00 66.70 62.78 1nhq h VAL 95 Cb 0.41 3.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 1nhq h VAL 95 CO 0.02 0.80 -0.84 -1.54 -1.23 0.00 0.00 177.57 174.78 1nhq n SER 96 N -3.75 1.14 0.00 4.19 3.41 -1.14 -4.96 113.62 112.51 1nhq n SER 96 Ca -0.17 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1nhq n SER 96 Cb 1.09 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.85 1nhq n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nhq n GLY 97 N 1.48 1.80 3.77 5.00 0.00 0.57 -5.00 105.19 112.82 1nhq n GLY 97 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1nhq n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nhq s GLU 98 N -0.03 4.25 -0.05 1.61 2.02 -1.24 -4.77 118.70 120.49 1nhq s GLU 98 Ca 0.00 2.28 0.06 0.00 0.02 0.00 0.00 54.97 57.33 1nhq s GLU 98 Cb 0.00 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.21 1nhq s GLU 98 CO 0.00 -0.30 -0.24 -1.21 0.02 0.00 0.00 175.26 173.52 1nhq s GLU 99 N -1.92 2.36 0.09 1.61 2.02 -1.26 -0.95 118.70 120.65 1nhq s GLU 99 Ca 0.51 -0.88 -0.05 0.00 0.02 0.00 0.00 54.97 54.56 1nhq s GLU 99 Cb -0.41 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 1nhq s GLU 99 CO 0.54 0.41 0.12 -0.98 0.02 0.00 0.00 175.26 175.38 1nhq s ARG 100 N -0.26 0.83 -0.06 1.61 1.70 -0.50 -4.99 118.95 117.29 1nhq s ARG 100 Ca -0.00 -1.13 -0.02 0.00 -0.47 0.00 0.00 55.73 54.11 1nhq s ARG 100 Cb -0.13 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1nhq s ARG 100 CO 0.02 -0.24 0.06 0.08 -1.08 0.00 0.00 175.30 174.14 1nhq s VAL 101 N -3.92 4.70 -0.02 4.99 1.01 -1.26 -0.85 120.40 125.05 1nhq s VAL 101 Ca 0.10 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1nhq s VAL 101 Cb 0.06 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1nhq s VAL 101 CO -0.08 0.51 -0.13 -0.70 0.00 0.00 0.00 175.10 174.71 1nhq s GLU 102 N -1.24 1.17 0.21 2.72 2.56 0.06 -4.96 118.70 119.23 1nhq s GLU 102 Ca 0.17 -0.45 0.02 0.00 0.00 0.00 0.00 54.97 54.71 1nhq s GLU 102 Cb -0.12 -1.10 -0.04 0.00 2.00 0.00 0.00 34.13 34.88 1nhq s GLU 102 CO 0.07 0.23 0.37 -0.80 -0.56 0.00 0.00 175.26 174.57 1nhq s ASN 103 N -0.11 6.34 0.08 -1.70 0.01 -1.26 -0.77 114.94 117.53 1nhq s ASN 103 Ca 0.01 0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 52.36 1nhq s ASN 103 Cb -0.07 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 1nhq s ASN 103 CO 0.00 -0.05 0.12 -0.72 -1.51 0.00 0.00 177.10 174.94 1nhq s TYR 104 N -1.91 0.34 -0.18 2.20 -0.85 -0.46 -4.95 117.35 111.53 1nhq s TYR 104 Ca 0.36 -0.80 -0.02 0.00 -0.52 0.00 0.00 57.07 56.09 1nhq s TYR 104 Cb -0.10 -0.19 -0.22 0.00 0.38 0.00 0.00 41.96 41.82 1nhq s TYR 104 CO 0.30 -0.50 0.09 -0.25 -1.52 0.00 0.00 175.55 173.67 1nhq n ASP 105 N -0.02 2.01 -3.98 -0.18 8.00 -0.19 -4.81 116.55 117.39 1nhq n ASP 105 Ca -0.14 0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.27 1nhq n ASP 105 Cb 0.62 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1nhq n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nhq s LYS 106 N -2.54 0.40 -0.07 -1.24 -0.14 -1.07 -4.90 119.74 110.18 1nhq s LYS 106 Ca -0.28 -0.36 0.02 0.00 -1.36 0.00 0.00 55.97 53.99 1nhq s LYS 106 Cb 0.08 -0.30 0.01 0.00 -1.68 0.00 0.00 37.83 35.94 1nhq s LYS 106 CO 0.69 0.07 -0.14 -1.17 -0.76 0.00 0.00 175.35 174.05 1nhq s LEU 107 N -0.63 1.70 -0.17 3.17 2.96 -0.51 -1.88 118.68 123.32 1nhq s LEU 107 Ca -0.03 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1nhq s LEU 107 Cb -0.05 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.75 1nhq s LEU 107 CO -0.00 0.05 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.24 1nhq s ILE 108 N 0.65 2.03 -0.06 6.68 1.01 -0.34 -1.19 121.20 129.99 1nhq s ILE 108 Ca -0.15 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1nhq s ILE 108 Cb -0.16 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1nhq s ILE 108 CO 0.04 0.54 -0.16 0.27 0.00 0.00 0.00 174.94 175.63 1nhq s ILE 109 N 1.16 2.93 -0.49 2.92 -4.36 -0.27 -1.17 121.20 121.92 1nhq s ILE 109 Ca 0.02 -0.76 0.06 0.00 -0.26 0.00 0.00 60.65 59.71 1nhq s ILE 109 Cb -0.14 -2.15 0.23 0.00 1.25 0.00 0.00 42.46 41.65 1nhq s ILE 109 CO -0.10 0.58 0.54 -0.24 0.24 0.00 0.00 174.94 175.97 1nhq n SER 110 N 2.51 1.24 0.22 4.36 2.88 -0.49 -1.88 113.62 122.46 1nhq n SER 110 Ca -0.17 -2.87 0.15 0.00 -1.33 0.00 0.00 58.87 54.64 1nhq n SER 110 Cb 0.52 -0.64 0.50 0.00 -0.75 0.00 0.00 64.21 63.84 1nhq n SER 110 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1nhq h PRO 111 N 4.48 0.00 0.00 -1.46 0.13 -1.79 -3.42 132.00 129.94 1nhq h PRO 111 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1nhq h PRO 111 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1nhq h PRO 111 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1nhq n GLY 112 N 0.42 -0.29 3.12 1.56 0.00 -1.26 -4.66 105.19 104.07 1nhq n GLY 112 Ca 0.02 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1nhq n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nhq s ALA 113 N -1.24 0.53 0.07 4.61 0.00 -1.26 -0.71 121.76 123.76 1nhq s ALA 113 Ca 0.00 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1nhq s ALA 113 Cb 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1nhq s ALA 113 CO 0.00 -0.42 -0.22 0.08 0.00 0.00 0.00 175.76 175.21 1nhq s VAL 114 N -3.95 1.78 0.28 0.00 1.01 0.18 -4.83 120.40 114.87 1nhq s VAL 114 Ca 0.11 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1nhq s VAL 114 Cb 0.08 -1.57 -0.11 0.00 0.00 0.00 0.00 36.38 34.78 1nhq s VAL 114 CO -0.07 0.12 1.57 -2.84 0.00 0.00 0.00 175.10 173.88 1nhq s PRO 115 N -1.50 4.15 0.10 2.72 0.02 -1.26 -0.45 135.00 138.77 1nhq s PRO 115 Ca 0.08 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 1nhq s PRO 115 Cb -0.09 -3.04 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 1nhq s PRO 115 CO 0.03 -0.60 1.16 0.12 -0.33 0.00 0.00 177.00 177.39 1nhq s PHE 116 N 0.07 3.48 0.19 6.54 2.19 -0.40 -4.72 117.98 125.32 1nhq s PHE 116 Ca 0.63 1.41 0.07 0.00 0.33 0.00 0.00 56.93 59.37 1nhq s PHE 116 Cb -0.47 -3.37 -0.04 0.00 -1.31 0.00 0.00 43.02 37.83 1nhq s PHE 116 CO 0.46 -1.05 0.03 -1.21 1.83 0.00 0.00 175.22 175.28 1nhq s GLU 117 N 0.55 2.48 -0.23 10.12 2.02 -1.26 -4.60 118.70 127.78 1nhq s GLU 117 Ca 0.55 -1.11 -0.22 0.00 0.02 0.00 0.00 54.97 54.22 1nhq s GLU 117 Cb -0.29 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 1nhq s GLU 117 CO 0.31 0.45 0.69 -0.51 0.02 0.00 0.00 175.26 176.22 1nhq s LEU 118 N -3.09 4.09 -1.19 1.80 1.02 -1.26 -4.96 118.68 115.08 1nhq s LEU 118 Ca 0.29 0.84 -0.11 0.00 0.02 0.00 0.00 54.13 55.17 1nhq s LEU 118 Cb -0.09 -2.97 0.21 0.00 0.02 0.00 0.00 46.19 43.36 1nhq s LEU 118 CO 0.20 -0.39 1.45 -0.67 0.02 0.00 0.00 176.35 176.96 1nhq n ASP 119 N 5.62 5.41 -4.42 2.29 2.03 -1.26 -4.79 116.55 121.44 1nhq n ASP 119 Ca 0.01 -3.07 -0.21 0.00 0.52 0.00 0.00 54.79 52.04 1nhq n ASP 119 Cb 0.49 -1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.31 1nhq n ASP 119 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1nhq s ILE 120 N 0.13 1.52 0.27 5.18 -4.36 -1.26 -5.06 121.20 117.62 1nhq s ILE 120 Ca 0.38 -2.10 -0.30 0.00 -0.26 0.00 0.00 60.65 58.37 1nhq s ILE 120 Cb -0.01 -2.47 -0.13 0.00 1.25 0.00 0.00 42.46 41.10 1nhq s ILE 120 CO -0.01 -0.28 1.42 -2.65 0.24 0.00 0.00 174.94 173.67 1nhq n PRO 121 N -0.57 2.16 0.00 0.37 -0.02 -1.26 -1.19 135.00 134.49 1nhq n PRO 121 Ca -0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1nhq n PRO 121 Cb 0.64 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1nhq n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nhq n GLY 122 N 1.93 1.26 0.00 -1.23 0.00 -1.26 -1.11 105.19 104.78 1nhq n GLY 122 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1nhq n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nhq n LYS 123 N -2.00 0.00 -3.17 1.61 4.81 -0.33 -0.73 118.16 118.35 1nhq n LYS 123 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1nhq n LYS 123 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1nhq n LYS 123 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1nhq n ASP 124 N -2.83 -0.58 -4.83 3.14 -0.08 -1.26 -4.98 116.55 105.13 1nhq n ASP 124 Ca 0.00 -2.69 -0.31 0.00 -1.51 0.00 0.00 54.79 50.28 1nhq n ASP 124 Cb 0.00 -0.18 0.05 0.00 2.34 0.00 0.00 41.12 43.33 1nhq n ASP 124 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1nhq s LEU 125 N -0.68 3.07 0.67 -2.67 1.43 0.09 -5.03 118.68 115.55 1nhq s LEU 125 Ca 0.34 1.53 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 1nhq s LEU 125 Cb 0.13 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.97 1nhq s LEU 125 CO -0.15 -1.43 1.17 -1.81 0.23 0.00 0.00 176.35 174.36 1nhq s ASP 126 N -3.88 4.74 -0.63 2.29 1.01 -0.44 -3.95 116.67 115.81 1nhq s ASP 126 Ca 0.58 2.24 -0.03 0.00 0.71 0.00 0.00 52.55 56.05 1nhq s ASP 126 Cb -0.14 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1nhq s ASP 126 CO 0.55 -1.89 0.43 0.59 0.21 0.00 0.00 175.17 175.05 1nhq n ASN 127 N -2.35 -3.79 -4.09 0.27 5.03 -1.26 -1.04 115.26 108.03 1nhq n ASN 127 Ca 0.12 -0.19 -0.33 0.00 0.87 0.00 0.00 54.58 55.05 1nhq n ASN 127 Cb 0.51 -2.47 -0.14 0.00 -1.02 0.00 0.00 39.78 36.66 1nhq n ASN 127 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nhq s ILE 128 N -3.02 2.60 0.26 2.41 1.01 -1.25 -1.19 121.20 122.02 1nhq s ILE 128 Ca 0.21 -1.85 0.08 0.00 0.00 0.00 0.00 60.65 59.08 1nhq s ILE 128 Cb -0.09 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1nhq s ILE 128 CO 0.26 -0.33 0.16 -0.31 0.00 0.00 0.00 174.94 174.72 1nhq s TYR 129 N 1.09 3.02 0.44 3.97 1.51 0.27 -4.98 117.35 122.68 1nhq s TYR 129 Ca 0.01 -0.14 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 1nhq s TYR 129 Cb -0.20 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1nhq s TYR 129 CO -0.05 0.53 0.15 -0.51 -1.11 0.00 0.00 175.55 174.56 1nhq s LEU 130 N -3.82 2.91 -0.48 -1.29 1.02 -1.26 -0.99 118.68 114.78 1nhq s LEU 130 Ca 0.33 -1.23 0.05 0.00 0.02 0.00 0.00 54.13 53.30 1nhq s LEU 130 Cb -0.07 -1.22 0.18 0.00 0.02 0.00 0.00 46.19 45.10 1nhq s LEU 130 CO 0.24 -0.64 0.41 0.80 0.02 0.00 0.00 176.35 177.18 1nhq n MET 131 N -1.26 0.67 -3.64 1.70 1.56 -1.26 -4.86 117.12 110.03 1nhq n MET 131 Ca -0.04 -3.50 -0.09 0.00 -0.27 0.00 0.00 57.70 53.80 1nhq n MET 131 Cb 0.65 -1.76 -0.07 0.00 2.15 0.00 0.00 33.22 34.19 1nhq n MET 131 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 1nhq s ARG 132 N -0.51 0.73 0.00 2.12 3.52 -1.26 -5.05 118.95 118.51 1nhq s ARG 132 Ca 0.32 1.13 0.00 0.00 -0.13 0.00 0.00 55.73 57.05 1nhq s ARG 132 Cb 0.05 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 1nhq s ARG 132 CO -0.17 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 1nhq n GLY 133 N 3.84 -1.20 0.06 8.12 0.00 -1.26 -4.28 105.19 110.48 1nhq n GLY 133 Ca -0.18 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 1nhq n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nhq h ARG 134 N 0.00 0.08 -0.68 1.61 1.12 -1.98 -2.10 114.38 112.43 1nhq h ARG 134 Ca 0.00 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1nhq h ARG 134 Cb 0.00 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.91 1nhq h ARG 134 CO 0.00 0.06 0.32 1.96 -3.11 0.00 0.00 179.97 179.19 1nhq h GLN 135 N 0.08 0.99 -0.36 0.20 1.08 -2.01 -1.84 115.11 113.25 1nhq h GLN 135 Ca 0.02 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 56.96 1nhq h GLN 135 Cb -0.01 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1nhq h GLN 135 CO -0.00 0.79 -0.22 -1.49 -0.95 0.00 0.00 178.83 176.95 1nhq h TRP 136 N 0.95 0.81 -0.54 2.96 -0.00 -1.73 -2.40 115.95 115.99 1nhq h TRP 136 Ca 0.23 -0.18 0.06 0.00 -0.00 0.00 0.00 58.89 59.01 1nhq h TRP 136 Cb 0.13 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.16 29.05 1nhq h TRP 136 CO 0.01 0.87 0.24 0.00 -0.00 0.00 0.00 178.44 179.56 1nhq h ALA 137 N 1.13 0.69 -0.17 1.49 0.00 -0.82 -0.39 119.26 121.19 1nhq h ALA 137 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nhq h ALA 137 Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nhq h ALA 137 CO 0.05 -0.13 0.02 0.82 0.00 0.00 0.00 179.25 180.01 1nhq h ILE 138 N 0.46 1.23 -0.78 0.00 2.04 -1.21 -1.79 117.51 117.47 1nhq h ILE 138 Ca 0.25 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1nhq h ILE 138 Cb 0.22 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1nhq h ILE 138 CO -0.21 0.22 0.31 0.11 0.00 0.00 0.00 178.15 178.58 1nhq h LYS 139 N 0.06 1.16 -0.48 2.37 1.57 -1.11 -1.58 116.57 118.56 1nhq h LYS 139 Ca 0.05 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1nhq h LYS 139 Cb 0.32 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1nhq h LYS 139 CO 0.00 0.94 0.28 -0.07 -0.57 0.00 0.00 179.45 180.03 1nhq h LEU 140 N 1.13 0.59 -0.89 2.94 4.07 -0.99 -2.64 115.31 119.52 1nhq h LEU 140 Ca 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 1nhq h LEU 140 Cb 0.21 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 1nhq h LEU 140 CO -0.02 0.49 0.49 0.50 -1.08 0.00 0.00 178.44 178.82 1nhq h LYS 141 N 0.64 1.23 -0.26 1.13 1.63 -0.97 -1.47 116.57 118.51 1nhq h LYS 141 Ca 0.17 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1nhq h LYS 141 Cb 0.02 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1nhq h LYS 141 CO -0.03 0.90 -0.07 1.96 -3.45 0.00 0.00 179.45 178.76 1nhq h GLN 142 N 1.24 0.40 -0.05 1.90 1.08 -1.03 -2.51 115.11 116.14 1nhq h GLN 142 Ca 0.31 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.32 1nhq h GLN 142 Cb 0.02 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1nhq h GLN 142 CO -0.05 0.49 -0.44 0.87 -0.95 0.00 0.00 178.83 178.74 1nhq h LYS 143 N 0.38 0.10 -0.82 1.46 1.79 -0.93 -2.81 116.57 115.75 1nhq h LYS 143 Ca 0.08 -0.05 0.23 0.00 -2.18 0.00 0.00 60.65 58.73 1nhq h LYS 143 Cb 0.36 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 1nhq h LYS 143 CO 0.02 0.53 0.58 1.15 -1.08 0.00 0.00 179.45 180.65 1nhq h THR 144 N 0.09 0.61 -0.23 -0.16 2.02 -0.95 -2.16 112.91 112.13 1nhq h THR 144 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1nhq h THR 144 Cb 0.82 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1nhq h THR 144 CO 0.06 0.01 0.00 1.33 0.37 0.00 0.00 175.52 177.29 1nhq n VAL 145 N -4.33 1.24 -2.76 3.16 0.24 -1.06 -4.92 118.33 109.91 1nhq n VAL 145 Ca 0.17 -1.20 -0.42 0.00 -2.04 0.00 0.00 64.34 60.84 1nhq n VAL 145 Cb 0.85 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.53 1nhq n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1nhq s ASP 146 N -1.25 7.03 0.58 -1.34 -1.08 -0.81 -4.92 116.67 114.88 1nhq s ASP 146 Ca 0.21 1.28 0.36 0.00 -0.52 0.00 0.00 52.55 53.89 1nhq s ASP 146 Cb 0.13 -2.50 1.63 0.00 -1.46 0.00 0.00 42.92 40.72 1nhq s ASP 146 CO 0.10 -0.56 2.08 1.55 0.52 0.00 0.00 175.17 178.86 1nhq h PRO 147 N 7.44 0.00 0.00 4.34 0.13 -1.94 -2.00 132.00 139.98 1nhq h PRO 147 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1nhq h PRO 147 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1nhq h PRO 147 CO 0.92 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.62 1nhq h GLU 148 N 0.00 0.00 -5.47 0.86 4.39 -1.96 -3.42 114.58 108.98 1nhq h GLU 148 Ca -0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1nhq h GLU 148 Cb 0.39 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.90 1nhq h GLU 148 CO 0.00 0.00 0.15 0.08 -1.16 0.00 0.00 179.01 178.08 1nhq s VAL 149 N -3.23 4.85 -0.10 3.13 1.01 -0.75 -4.85 120.40 120.47 1nhq s VAL 149 Ca 0.08 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1nhq s VAL 149 Cb 0.10 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1nhq s VAL 149 CO 0.55 -0.44 -0.10 0.59 0.00 0.00 0.00 175.10 175.70 1nhq n ASN 150 N 6.16 2.64 -4.31 3.32 3.02 -1.26 -4.91 115.26 119.93 1nhq n ASN 150 Ca -0.01 -0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.20 1nhq n ASN 150 Cb 0.48 -0.19 -0.15 0.00 -0.61 0.00 0.00 39.78 39.31 1nhq n ASN 150 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1nhq s ASN 151 N -5.19 3.78 -0.02 6.41 0.01 -1.26 -1.52 114.94 117.14 1nhq s ASN 151 Ca -0.14 -0.42 0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1nhq s ASN 151 Cb 0.04 -1.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 1nhq s ASN 151 CO 0.22 0.12 -0.20 0.54 -1.51 0.00 0.00 177.10 176.27 1nhq s VAL 152 N 0.60 1.57 -0.13 1.60 0.11 -0.26 -0.42 120.40 123.46 1nhq s VAL 152 Ca -0.09 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1nhq s VAL 152 Cb -0.16 -1.31 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 1nhq s VAL 152 CO 0.03 0.44 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.43 1nhq s VAL 153 N -0.41 3.11 -0.06 2.04 1.01 -0.52 -1.45 120.40 124.12 1nhq s VAL 153 Ca 0.06 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1nhq s VAL 153 Cb -0.08 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1nhq s VAL 153 CO -0.00 0.52 -0.19 0.68 0.00 0.00 0.00 175.10 176.11 1nhq s VAL 154 N 0.38 2.61 -0.27 2.92 -7.23 -0.18 -1.19 120.40 117.45 1nhq s VAL 154 Ca -0.10 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 1nhq s VAL 154 Cb -0.16 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1nhq s VAL 154 CO 0.05 0.57 0.11 -0.63 -0.31 0.00 0.00 175.10 174.89 1nhq s ILE 155 N -0.35 4.54 0.00 -0.62 1.01 -0.32 -1.28 121.20 124.18 1nhq s ILE 155 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1nhq s ILE 155 Cb -0.12 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1nhq s ILE 155 CO 0.02 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1nhq n GLY 156 N 4.96 3.88 0.61 6.18 0.00 -0.14 -0.02 105.19 120.66 1nhq n GLY 156 Ca -0.15 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.61 1nhq n GLY 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nhq n SER 157 N 0.00 2.15 -1.95 1.61 3.41 -1.26 -4.43 113.62 113.16 1nhq n SER 157 Ca 0.00 -3.63 0.00 0.00 -0.26 0.00 0.00 58.87 54.98 1nhq n SER 157 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1nhq n SER 157 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nhq n GLY 158 N -1.16 0.12 0.13 5.00 0.00 -1.26 -0.67 105.19 107.36 1nhq n GLY 158 Ca 0.21 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 1nhq n GLY 158 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1nhq h TYR 159 N -0.25 -0.19 -0.42 1.61 5.03 -1.95 -1.17 116.97 119.64 1nhq h TYR 159 Ca 0.00 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.21 1nhq h TYR 159 Cb 0.00 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1nhq h TYR 159 CO 0.00 -0.12 -0.18 0.82 -1.32 0.00 0.00 178.16 177.36 1nhq h ILE 160 N -0.08 1.28 -0.69 1.81 2.04 -1.94 -2.19 117.51 117.74 1nhq h ILE 160 Ca 0.08 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 1nhq h ILE 160 Cb 0.19 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1nhq h ILE 160 CO -0.18 0.44 0.34 1.23 0.00 0.00 0.00 178.15 179.98 1nhq h GLY 161 N 0.68 1.07 1.78 5.37 0.00 -1.68 -1.95 103.07 108.35 1nhq h GLY 161 Ca 0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1nhq h GLY 161 CO 0.06 0.50 -0.49 -2.22 0.00 0.00 0.00 176.54 174.39 1nhq h ILE 162 N 0.96 1.34 -0.48 2.60 1.08 -1.18 -0.64 117.51 121.19 1nhq h ILE 162 Ca 0.24 -1.70 -0.02 0.00 -0.39 0.00 0.00 64.86 62.98 1nhq h ILE 162 Cb 0.11 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 1nhq h ILE 162 CO -0.03 0.51 0.21 -0.33 -0.69 0.00 0.00 178.15 177.82 1nhq h GLU 163 N 0.19 0.71 -0.38 2.37 5.08 -0.96 -1.00 114.58 120.59 1nhq h GLU 163 Ca 0.01 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1nhq h GLU 163 Cb 0.93 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1nhq h GLU 163 CO 0.08 0.62 0.12 0.00 -1.00 0.00 0.00 179.01 178.82 1nhq h ALA 164 N 1.05 0.50 -0.70 3.43 0.00 -1.22 -1.52 119.26 120.81 1nhq h ALA 164 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nhq h ALA 164 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1nhq h ALA 164 CO -0.02 0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.82 1nhq h ALA 165 N 0.97 0.90 -0.42 0.00 0.00 -0.96 -1.75 119.26 118.00 1nhq h ALA 165 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1nhq h ALA 165 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nhq h ALA 165 CO -0.00 0.26 -0.01 1.49 0.00 0.00 0.00 179.25 180.99 1nhq h GLU 166 N 0.90 0.75 -0.47 0.00 4.81 -1.08 -1.46 114.58 118.03 1nhq h GLU 166 Ca 0.27 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1nhq h GLU 166 Cb -0.05 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1nhq h GLU 166 CO -0.08 0.83 0.26 0.00 -0.73 0.00 0.00 179.01 179.30 1nhq h ALA 167 N 0.89 0.61 -0.01 2.92 0.00 -0.94 -0.70 119.26 122.02 1nhq h ALA 167 Ca 0.12 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1nhq h ALA 167 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nhq h ALA 167 CO 0.02 0.12 -0.68 0.74 0.00 0.00 0.00 179.25 179.45 1nhq h PHE 168 N 0.63 0.09 -0.45 0.00 0.04 -1.31 -2.17 116.94 113.76 1nhq h PHE 168 Ca 0.17 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 1nhq h PHE 168 Cb 0.04 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1nhq h PHE 168 CO -0.02 0.73 0.06 0.00 -0.60 0.00 0.00 178.31 178.48 1nhq h ALA 169 N 1.26 0.60 -0.04 2.45 0.00 -1.03 -1.31 119.26 121.19 1nhq h ALA 169 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1nhq h ALA 169 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1nhq h ALA 169 CO 0.09 0.34 -0.27 0.87 0.00 0.00 0.00 179.25 180.28 1nhq h LYS 170 N 0.62 0.07 0.00 0.00 1.57 -1.03 -0.70 116.57 117.10 1nhq h LYS 170 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nhq h LYS 170 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1nhq h LYS 170 CO 0.01 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1nhq n ALA 171 N -2.48 2.23 -0.58 3.86 0.00 -0.83 -4.87 120.51 117.84 1nhq n ALA 171 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nhq n ALA 171 Cb 0.34 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1nhq n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nhq n GLY 172 N 0.24 0.66 3.97 0.00 0.00 -0.27 -4.98 105.19 104.81 1nhq n GLY 172 Ca 0.11 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1nhq n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nhq s LYS 173 N -0.99 3.21 -0.15 1.61 -0.14 -0.52 -5.02 119.74 117.75 1nhq s LYS 173 Ca 0.00 -0.72 -0.20 0.00 -1.36 0.00 0.00 55.97 53.68 1nhq s LYS 173 Cb 0.00 -2.74 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1nhq s LYS 173 CO 0.00 0.05 0.60 0.15 -0.76 0.00 0.00 175.35 175.39 1nhq s LYS 174 N -4.26 4.29 -0.07 1.68 3.01 -0.58 -4.40 119.74 119.41 1nhq s LYS 174 Ca 0.43 0.61 0.06 0.00 -1.01 0.00 0.00 55.97 56.06 1nhq s LYS 174 Cb -0.10 -3.51 -0.01 0.00 -1.01 0.00 0.00 37.83 33.20 1nhq s LYS 174 CO 0.33 -0.06 -0.25 0.08 0.51 0.00 0.00 175.35 175.96 1nhq s VAL 175 N 1.32 2.07 -0.10 3.17 1.01 -1.15 -1.10 120.40 125.61 1nhq s VAL 175 Ca 0.30 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1nhq s VAL 175 Cb -0.16 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1nhq s VAL 175 CO 0.12 0.57 -0.19 -0.89 0.00 0.00 0.00 175.10 174.71 1nhq s THR 176 N -0.03 2.58 -0.19 3.92 2.01 -0.53 -0.84 115.64 122.55 1nhq s THR 176 Ca -0.08 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 1nhq s THR 176 Cb -0.15 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1nhq s THR 176 CO 0.05 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.88 1nhq s VAL 177 N 0.17 4.40 -0.04 3.82 1.01 0.57 -1.01 120.40 129.32 1nhq s VAL 177 Ca -0.10 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1nhq s VAL 177 Cb -0.16 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1nhq s VAL 177 CO 0.06 0.44 -0.23 -0.63 0.00 0.00 0.00 175.10 174.74 1nhq s ILE 178 N 0.69 2.31 0.13 2.22 1.01 -0.40 -0.24 121.20 126.92 1nhq s ILE 178 Ca 0.02 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 1nhq s ILE 178 Cb -0.14 -1.84 0.06 0.00 0.01 0.00 0.00 42.46 40.55 1nhq s ILE 178 CO 0.02 0.58 0.56 -0.62 0.00 0.00 0.00 174.94 175.47 1nhq s ASP 179 N -0.44 -0.49 0.21 3.58 -1.08 -0.92 -0.97 116.67 116.56 1nhq s ASP 179 Ca 0.05 -0.01 0.10 0.00 -0.52 0.00 0.00 52.55 52.16 1nhq s ASP 179 Cb -0.12 0.56 0.12 0.00 -1.46 0.00 0.00 42.92 42.03 1nhq s ASP 179 CO 0.01 -0.90 1.47 0.16 0.52 0.00 0.00 175.17 176.43 1nhq h ILE 180 N 2.21 1.52 -4.22 4.11 3.07 -1.87 -0.22 117.51 122.11 1nhq h ILE 180 Ca -0.33 -2.64 -0.50 0.00 1.55 0.00 0.00 64.86 62.93 1nhq h ILE 180 Cb 1.28 2.44 0.08 0.00 -0.27 0.00 0.00 36.82 40.35 1nhq h ILE 180 CO 0.40 0.75 0.37 -0.76 -1.05 0.00 0.00 178.15 177.86 1nhq s LEU 181 N -7.17 3.40 0.00 0.16 1.43 -1.26 -3.20 118.68 112.04 1nhq s LEU 181 Ca -0.00 1.85 0.26 0.00 -1.03 0.00 0.00 54.13 55.21 1nhq s LEU 181 Cb 0.11 -4.53 0.70 0.00 0.03 0.00 0.00 46.19 42.50 1nhq s LEU 181 CO 0.78 -1.39 1.54 -0.90 0.23 0.00 0.00 176.35 176.62 1nhq n ASP 182 N -2.35 0.53 -3.85 2.29 5.75 -1.26 -2.98 116.55 114.68 1nhq n ASP 182 Ca 0.09 -0.30 -0.14 0.00 -0.01 0.00 0.00 54.79 54.43 1nhq n ASP 182 Cb 0.53 0.11 -0.15 0.00 -1.03 0.00 0.00 41.12 40.58 1nhq n ASP 182 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1nhq s ARG 183 N -2.86 0.07 0.52 0.11 0.52 -1.26 -4.87 118.95 111.18 1nhq s ARG 183 Ca 0.15 0.04 -0.22 0.00 -0.52 0.00 0.00 55.73 55.18 1nhq s ARG 183 Cb 0.18 -0.17 -0.06 0.00 0.52 0.00 0.00 34.95 35.43 1nhq s ARG 183 CO 0.63 -0.05 1.25 -1.25 0.02 0.00 0.00 175.30 175.90 1nhq s PRO 184 N 0.39 3.36 -1.99 3.54 0.04 -1.26 -3.69 135.00 135.39 1nhq s PRO 184 Ca -0.03 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1nhq s PRO 184 Cb -0.05 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1nhq s PRO 184 CO -0.01 -0.94 0.00 1.28 0.04 0.00 0.00 177.00 177.37 1nhq n LEU 185 N -0.91 -1.66 0.25 -3.56 4.77 0.16 -4.86 117.00 111.18 1nhq n LEU 185 Ca 0.10 0.29 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1nhq n LEU 185 Cb 0.47 -2.85 0.65 0.00 -2.33 0.00 0.00 43.42 39.36 1nhq n LEU 185 CO 0.49 -0.70 1.01 1.23 -1.33 0.00 0.00 177.39 178.09 1nhq h GLY 186 N 0.00 0.00 2.00 -0.72 0.00 -1.75 -0.05 103.07 102.55 1nhq h GLY 186 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1nhq h GLY 186 CO 0.59 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 175.03 1nhq h VAL 187 N 0.00 0.07 0.00 4.60 2.07 -1.91 -3.25 116.25 117.84 1nhq h VAL 187 Ca -0.00 -0.43 -0.22 0.00 0.82 0.00 0.00 66.70 66.87 1nhq h VAL 187 Cb 0.15 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1nhq h VAL 187 CO 0.01 0.02 -1.82 -1.22 0.02 0.00 0.00 177.57 174.59 1nhq n TYR 188 N -3.15 0.00 -4.07 1.57 4.01 -0.16 -4.86 117.16 110.51 1nhq n TYR 188 Ca -0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 1nhq n TYR 188 Cb 0.25 -0.57 -0.12 0.00 -0.31 0.00 0.00 39.34 38.60 1nhq n TYR 188 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nhq s LEU 189 N -5.22 2.24 0.70 7.72 1.02 -0.47 -4.82 118.68 119.85 1nhq s LEU 189 Ca -0.11 -0.53 -0.06 0.00 0.02 0.00 0.00 54.13 53.45 1nhq s LEU 189 Cb 0.04 -0.18 0.06 0.00 0.02 0.00 0.00 46.19 46.13 1nhq s LEU 189 CO 0.43 -0.19 1.00 -1.81 0.02 0.00 0.00 176.35 175.80 1nhq s ASP 190 N -1.51 4.83 0.27 2.29 1.01 -1.26 -4.30 116.67 117.99 1nhq s ASP 190 Ca -0.09 0.42 -0.00 0.00 0.71 0.00 0.00 52.55 53.58 1nhq s ASP 190 Cb -0.10 -1.08 0.52 0.00 1.01 0.00 0.00 42.92 43.28 1nhq s ASP 190 CO 0.00 -1.58 1.80 0.50 0.21 0.00 0.00 175.17 176.11 1nhq h LYS 191 N -0.56 0.78 0.00 8.23 3.64 -1.98 -1.07 116.57 125.62 1nhq h LYS 191 Ca -0.44 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1nhq h LYS 191 Cb 1.31 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1nhq h LYS 191 CO 0.59 0.52 -0.04 1.05 -2.27 0.00 0.00 179.45 179.30 1nhq h GLU 192 N 0.80 0.00 0.05 1.90 9.09 -2.00 0.34 114.58 124.76 1nhq h GLU 192 Ca 0.47 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.65 1nhq h GLU 192 Cb 0.55 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.63 1nhq h GLU 192 CO -0.30 0.04 -1.21 0.74 0.05 0.00 0.00 179.01 178.32 1nhq h PHE 193 N 0.00 0.20 0.00 2.06 -1.00 -1.60 -3.35 116.94 113.25 1nhq h PHE 193 Ca -0.00 -0.15 -0.06 0.00 2.81 0.00 0.00 57.97 60.58 1nhq h PHE 193 Cb 0.18 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1nhq h PHE 193 CO 0.00 1.48 -0.27 1.79 -1.61 0.00 0.00 178.31 179.69 1nhq h THR 194 N -0.66 0.75 -0.81 -1.55 1.35 -1.10 -1.95 112.91 108.94 1nhq h THR 194 Ca -0.29 -1.15 0.01 0.00 -0.55 0.00 0.00 66.41 64.42 1nhq h THR 194 Cb 1.49 1.72 -0.04 0.00 -1.73 0.00 0.00 68.15 69.59 1nhq h THR 194 CO -0.06 0.27 0.53 0.44 -0.25 0.00 0.00 175.52 176.45 1nhq h ASP 195 N 0.00 0.93 -0.26 5.36 3.32 -1.11 0.13 116.42 124.79 1nhq h ASP 195 Ca -0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1nhq h ASP 195 Cb 0.70 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1nhq h ASP 195 CO 0.04 0.68 -0.17 0.58 -1.72 0.00 0.00 179.24 178.64 1nhq h VAL 196 N 1.10 1.31 -0.21 -1.35 2.07 -1.51 -2.97 116.25 114.68 1nhq h VAL 196 Ca 0.30 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1nhq h VAL 196 Cb -0.12 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1nhq h VAL 196 CO -0.06 0.41 -0.19 -0.07 0.02 0.00 0.00 177.57 177.67 1nhq h LEU 197 N 0.29 0.35 -0.50 2.57 3.38 -1.16 -1.97 115.31 118.27 1nhq h LEU 197 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nhq h LEU 197 Cb 0.71 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1nhq h LEU 197 CO 0.05 0.57 0.27 0.74 0.09 0.00 0.00 178.44 180.15 1nhq h THR 198 N 0.33 1.18 -0.48 0.22 2.02 -0.93 -0.90 112.91 114.35 1nhq h THR 198 Ca 0.06 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.78 1nhq h THR 198 Cb 0.54 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1nhq h THR 198 CO 0.04 0.19 0.31 -0.33 0.37 0.00 0.00 175.52 176.10 1nhq h GLU 199 N 0.66 0.61 -0.36 6.66 5.08 -1.33 -0.22 114.58 125.69 1nhq h GLU 199 Ca 0.18 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1nhq h GLU 199 Cb 0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1nhq h GLU 199 CO -0.03 0.41 0.19 1.49 -1.00 0.00 0.00 179.01 180.07 1nhq h GLU 200 N 0.63 0.37 -0.63 2.33 4.57 -1.07 -1.52 114.58 119.27 1nhq h GLU 200 Ca 0.18 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1nhq h GLU 200 Cb -0.05 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1nhq h GLU 200 CO -0.05 0.25 0.19 0.52 -1.18 0.00 0.00 179.01 178.74 1nhq h MET 201 N 0.38 0.98 0.00 1.92 2.86 -0.85 -2.61 114.93 117.62 1nhq h MET 201 Ca 0.15 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1nhq h MET 201 Cb 0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1nhq h MET 201 CO -0.10 0.87 -0.25 0.93 1.06 0.00 0.00 176.91 179.41 1nhq h GLU 202 N 0.90 0.00 0.00 1.72 5.08 -0.83 -0.72 114.58 120.73 1nhq h GLU 202 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1nhq h GLU 202 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1nhq h GLU 202 CO -0.01 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1nhq h ALA 203 N 1.75 1.00 -0.60 3.43 0.00 -0.89 -2.73 119.26 121.21 1nhq h ALA 203 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1nhq h ALA 203 Cb 0.55 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.11 1nhq h ALA 203 CO 0.03 0.00 -0.06 0.09 0.00 0.00 0.00 179.25 179.31 1nhq n ASN 204 N -2.77 4.08 -4.16 0.00 4.13 -0.30 -4.96 115.26 111.28 1nhq n ASN 204 Ca 0.01 -3.78 -0.40 0.00 1.68 0.00 0.00 54.58 52.09 1nhq n ASN 204 Cb 0.25 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 37.82 1nhq n ASN 204 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1nhq n ASN 205 N -0.99 -2.10 -4.27 6.41 6.94 -1.03 -4.91 115.26 115.31 1nhq n ASN 205 Ca 0.43 -1.28 -0.33 0.00 -0.02 0.00 0.00 54.58 53.38 1nhq n ASN 205 Cb 0.99 -1.73 -0.15 0.00 -2.36 0.00 0.00 39.78 36.53 1nhq n ASN 205 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1nhq s ILE 206 N -3.87 2.77 -0.09 1.53 1.01 -1.03 -2.92 121.20 118.60 1nhq s ILE 206 Ca 0.29 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1nhq s ILE 206 Cb -0.16 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 1nhq s ILE 206 CO 0.98 0.50 0.25 -0.89 0.00 0.00 0.00 174.94 175.79 1nhq s THR 207 N 0.89 5.31 -0.28 2.92 2.01 -0.02 -3.71 115.64 122.77 1nhq s THR 207 Ca -0.03 0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 1nhq s THR 207 Cb -0.15 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1nhq s THR 207 CO -0.01 0.56 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.84 1nhq s ILE 208 N -0.71 3.19 -0.64 1.82 1.01 -1.26 -0.32 121.20 124.29 1nhq s ILE 208 Ca 0.18 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 1nhq s ILE 208 Cb -0.14 -2.69 0.16 0.00 0.01 0.00 0.00 42.46 39.81 1nhq s ILE 208 CO 0.07 0.08 0.56 0.00 0.00 0.00 0.00 174.94 175.64 1nhq s ALA 209 N 1.35 3.75 0.35 9.38 0.00 0.67 -4.96 121.76 132.29 1nhq s ALA 209 Ca -0.01 -2.90 -0.00 0.00 0.00 0.00 0.00 51.96 49.05 1nhq s ALA 209 Cb -0.18 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1nhq s ALA 209 CO -0.02 -2.10 0.56 0.95 0.00 0.00 0.00 175.76 175.15 1nhq s THR 210 N 0.85 5.09 -1.08 0.00 -4.23 -1.26 -2.18 115.64 112.83 1nhq s THR 210 Ca 0.10 -0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1nhq s THR 210 Cb -0.21 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.78 1nhq s THR 210 CO -0.03 -0.56 0.45 0.61 -0.54 0.00 0.00 174.62 174.55 1nhq n GLY 211 N -1.75 -0.16 3.09 3.99 0.00 -0.17 -4.92 105.19 105.27 1nhq n GLY 211 Ca -0.04 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1nhq n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nhq s GLU 212 N -5.37 1.14 -0.24 1.61 2.02 -0.74 -4.92 118.70 112.20 1nhq s GLU 212 Ca 0.22 -0.48 -0.10 0.00 0.02 0.00 0.00 54.97 54.64 1nhq s GLU 212 Cb -0.10 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.00 1nhq s GLU 212 CO 0.27 0.27 0.13 0.99 0.02 0.00 0.00 175.26 176.95 1nhq s THR 213 N -0.24 5.11 0.04 3.63 2.01 -1.26 -3.27 115.64 121.64 1nhq s THR 213 Ca 0.04 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1nhq s THR 213 Cb -0.06 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1nhq s THR 213 CO -0.00 0.35 1.19 -0.69 -0.69 0.00 0.00 174.62 174.78 1nhq s VAL 214 N 1.10 4.13 -0.19 3.82 1.01 -1.26 -1.13 120.40 127.89 1nhq s VAL 214 Ca 0.06 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.61 1nhq s VAL 214 Cb -0.14 -3.98 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1nhq s VAL 214 CO 0.04 0.10 -0.12 -0.62 0.00 0.00 0.00 175.10 174.50 1nhq n GLU 215 N 4.16 0.73 -3.55 2.72 1.02 0.34 -4.92 120.64 121.14 1nhq n GLU 215 Ca 0.09 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1nhq n GLU 215 Cb 0.47 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1nhq n GLU 215 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1nhq s ARG 216 N -2.39 1.20 -0.10 3.49 1.70 -1.11 -4.39 118.95 117.35 1nhq s ARG 216 Ca -0.22 -0.51 -0.03 0.00 -0.47 0.00 0.00 55.73 54.50 1nhq s ARG 216 Cb 0.06 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1nhq s ARG 216 CO 0.50 -0.53 0.03 0.71 -1.08 0.00 0.00 175.30 174.93 1nhq s TYR 217 N -3.52 3.25 0.04 5.89 2.02 -0.27 -1.33 117.35 123.44 1nhq s TYR 217 Ca 0.05 0.26 0.09 0.00 -0.37 0.00 0.00 57.07 57.10 1nhq s TYR 217 Cb -0.02 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1nhq s TYR 217 CO -0.07 0.52 -0.25 -1.21 -1.57 0.00 0.00 175.55 172.97 1nhq s GLU 218 N -0.88 1.68 0.00 -0.62 2.02 -0.21 -4.10 118.70 116.59 1nhq s GLU 218 Ca 0.13 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1nhq s GLU 218 Cb -0.11 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1nhq s GLU 218 CO 0.03 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.19 1nhq n GLY 219 N 1.81 0.58 3.13 -1.39 0.00 -1.26 -0.69 105.19 107.37 1nhq n GLY 219 Ca -0.17 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 1nhq n GLY 219 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nhq s ASP 220 N 0.00 5.19 0.00 1.61 -1.08 -1.26 -4.76 116.67 116.38 1nhq s ASP 220 Ca 0.00 -1.92 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 1nhq s ASP 220 Cb 0.00 -1.81 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1nhq s ASP 220 CO 0.00 -0.50 0.00 0.61 0.52 0.00 0.00 175.17 175.80 1nhq n GLY 221 N 4.59 1.37 3.38 2.66 0.00 -1.26 -4.82 105.19 111.11 1nhq n GLY 221 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1nhq n GLY 221 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nhq s ARG 222 N 0.00 1.42 0.44 1.61 1.04 -1.26 -1.33 118.95 120.86 1nhq s ARG 222 Ca 0.00 -1.63 -0.25 0.00 -1.04 0.00 0.00 55.73 52.81 1nhq s ARG 222 Cb 0.00 -1.29 -0.08 0.00 -2.04 0.00 0.00 34.95 31.54 1nhq s ARG 222 CO 0.00 0.23 1.33 0.54 -0.04 0.00 0.00 175.30 177.35 1nhq s VAL 223 N -2.82 2.47 0.00 4.99 0.11 -0.21 -4.35 120.40 120.59 1nhq s VAL 223 Ca 0.24 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1nhq s VAL 223 Cb -0.02 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 1nhq s VAL 223 CO 0.09 0.05 0.00 0.00 -3.33 0.00 0.00 175.10 171.91 1nhq n GLN 224 N -0.13 2.19 -3.88 1.54 6.02 0.13 -4.63 117.38 118.63 1nhq n GLN 224 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 1nhq n GLN 224 Cb 0.44 -0.64 -0.10 0.00 1.02 0.00 0.00 30.24 30.95 1nhq n GLN 224 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1nhq s LYS 225 N -1.04 0.41 -0.16 -1.09 -0.14 -0.07 -1.16 119.74 116.49 1nhq s LYS 225 Ca 0.00 -0.33 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 1nhq s LYS 225 Cb 0.00 0.17 0.02 0.00 -1.68 0.00 0.00 37.83 36.33 1nhq s LYS 225 CO 0.00 -0.09 -0.20 0.08 -0.76 0.00 0.00 175.35 174.38 1nhq s VAL 226 N -1.16 1.95 -0.08 3.17 1.01 0.28 -1.04 120.40 124.53 1nhq s VAL 226 Ca -0.12 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1nhq s VAL 226 Cb -0.07 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1nhq s VAL 226 CO 0.01 0.53 -0.14 0.68 0.00 0.00 0.00 175.10 176.18 1nhq s VAL 227 N 1.14 3.03 0.47 2.92 -7.23 -0.45 -0.57 120.40 119.71 1nhq s VAL 227 Ca 0.00 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.52 1nhq s VAL 227 Cb -0.14 -2.22 0.05 0.00 0.56 0.00 0.00 36.38 34.63 1nhq s VAL 227 CO -0.08 0.56 0.44 0.35 -0.31 0.00 0.00 175.10 176.06 1nhq n THR 228 N 2.85 0.00 0.30 5.32 -2.24 0.40 -0.50 114.28 120.40 1nhq n THR 228 Ca -0.18 -1.76 0.18 0.00 -2.27 0.00 0.00 64.05 60.03 1nhq n THR 228 Cb 0.52 -0.24 0.95 0.00 -2.10 0.00 0.00 70.33 69.46 1nhq n THR 228 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1nhq h ASP 229 N 0.41 0.00 0.00 3.42 2.03 -1.48 -3.24 116.42 117.56 1nhq h ASP 229 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1nhq h ASP 229 Cb 1.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 1nhq h ASP 229 CO 0.42 0.03 -0.83 0.29 -1.03 0.00 0.00 179.24 178.12 1nhq n LYS 230 N -3.29 2.37 -3.83 4.15 4.76 -1.26 -5.06 118.16 116.00 1nhq n LYS 230 Ca -0.02 -0.03 -0.07 0.00 -2.87 0.00 0.00 58.31 55.32 1nhq n LYS 230 Cb 0.17 -0.98 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1nhq n LYS 230 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1nhq s ASN 231 N -2.18 -0.12 -0.04 4.39 3.84 -1.23 -5.15 114.94 114.44 1nhq s ASN 231 Ca -0.00 -0.79 0.01 0.00 0.21 0.00 0.00 52.86 52.29 1nhq s ASN 231 Cb 0.04 0.72 0.02 0.00 -0.55 0.00 0.00 41.25 41.48 1nhq s ASN 231 CO 0.25 -1.38 -0.03 0.00 -2.79 0.00 0.00 177.10 173.15 1nhq s ALA 232 N -3.05 0.57 -0.03 1.71 0.00 -1.26 -0.46 121.76 119.24 1nhq s ALA 232 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1nhq s ALA 232 Cb -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1nhq s ALA 232 CO 0.08 -0.08 -0.24 0.71 0.00 0.00 0.00 175.76 176.23 1nhq s TYR 233 N 1.07 2.41 0.23 0.00 2.02 0.27 -4.95 117.35 118.40 1nhq s TYR 233 Ca -0.09 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 55.89 1nhq s TYR 233 Cb -0.14 -1.54 -0.09 0.00 -0.40 0.00 0.00 41.96 39.80 1nhq s TYR 233 CO -0.01 -0.02 1.05 -0.51 -1.57 0.00 0.00 175.55 174.49 1nhq s ASP 234 N -0.57 7.38 -0.09 2.29 1.01 -1.26 -0.56 116.67 124.86 1nhq s ASP 234 Ca 0.09 2.12 -0.04 0.00 0.71 0.00 0.00 52.55 55.42 1nhq s ASP 234 Cb -0.11 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.26 1nhq s ASP 234 CO -0.00 -0.08 0.21 0.00 0.21 0.00 0.00 175.17 175.51 1nhq s ALA 235 N -0.87 -0.45 -0.43 5.23 0.00 -0.31 -4.70 121.76 120.23 1nhq s ALA 235 Ca 0.45 0.88 0.22 0.00 0.00 0.00 0.00 51.96 53.51 1nhq s ALA 235 Cb -0.29 -0.62 -0.23 0.00 0.00 0.00 0.00 23.12 21.97 1nhq s ALA 235 CO 0.37 -0.24 0.71 -0.25 0.00 0.00 0.00 175.76 176.35 1nhq n ASP 236 N 4.37 0.43 -3.68 0.00 8.00 0.44 -3.46 116.55 122.65 1nhq n ASP 236 Ca -0.23 -0.33 -0.14 0.00 0.71 0.00 0.00 54.79 54.80 1nhq n ASP 236 Cb 0.52 1.45 -0.08 0.00 -0.02 0.00 0.00 41.12 42.99 1nhq n ASP 236 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nhq s LEU 237 N -3.99 -0.20 -0.04 0.64 1.98 -1.19 -4.88 118.68 111.01 1nhq s LEU 237 Ca -0.01 1.16 0.06 0.00 -2.89 0.00 0.00 54.13 52.45 1nhq s LEU 237 Cb 0.15 1.98 -0.01 0.00 0.66 0.00 0.00 46.19 48.96 1nhq s LEU 237 CO 0.88 -0.20 -0.23 -0.69 -1.89 0.00 0.00 176.35 174.22 1nhq s VAL 238 N 0.31 1.83 -0.20 1.68 1.01 -0.34 -1.44 120.40 123.25 1nhq s VAL 238 Ca -0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1nhq s VAL 238 Cb -0.04 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1nhq s VAL 238 CO 0.01 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 1nhq s VAL 239 N -0.31 2.74 -0.35 2.92 1.01 -0.33 -0.56 120.40 125.51 1nhq s VAL 239 Ca 0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1nhq s VAL 239 Cb -0.11 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1nhq s VAL 239 CO 0.01 0.48 0.43 -0.69 0.00 0.00 0.00 175.10 175.33 1nhq s VAL 240 N 1.35 5.10 -0.39 2.92 1.01 -0.16 -1.18 120.40 129.05 1nhq s VAL 240 Ca 0.05 0.15 0.12 0.00 0.00 0.00 0.00 61.98 62.30 1nhq s VAL 240 Cb -0.14 -3.89 0.41 0.00 0.00 0.00 0.00 36.38 32.76 1nhq s VAL 240 CO -0.07 -0.16 0.93 0.00 0.00 0.00 0.00 175.10 175.80 1nhq n ALA 241 N 5.54 3.62 0.11 5.51 0.00 0.98 -4.41 120.51 131.85 1nhq n ALA 241 Ca -0.07 -3.66 -0.20 0.00 0.00 0.00 0.00 53.44 49.51 1nhq n ALA 241 Cb 0.49 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 1nhq n ALA 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nhq h VAL 242 N 2.43 1.37 0.00 0.00 2.07 -1.80 -3.39 116.25 116.94 1nhq h VAL 242 Ca 0.07 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1nhq h VAL 242 Cb 0.99 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1nhq h VAL 242 CO 0.62 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.63 1nhq n GLY 243 N 1.46 -0.68 3.01 2.17 0.00 -1.26 -4.97 105.19 104.91 1nhq n GLY 243 Ca -0.12 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1nhq n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nhq s VAL 244 N -3.00 0.46 -0.13 1.61 0.11 -1.26 -1.27 120.40 116.92 1nhq s VAL 244 Ca 0.00 -0.63 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1nhq s VAL 244 Cb 0.00 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1nhq s VAL 244 CO 0.00 -0.13 0.01 -0.13 -3.33 0.00 0.00 175.10 171.52 1nhq s ARG 245 N -0.82 3.41 0.34 1.54 0.52 0.40 -4.79 118.95 119.55 1nhq s ARG 245 Ca -0.04 -0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.47 1nhq s ARG 245 Cb -0.06 -2.93 -0.12 0.00 0.52 0.00 0.00 34.95 32.36 1nhq s ARG 245 CO 0.00 0.48 1.48 -0.35 0.02 0.00 0.00 175.30 176.94 1nhq n PRO 246 N 2.83 2.54 -2.15 3.54 -0.04 -1.26 -0.65 135.00 139.81 1nhq n PRO 246 Ca -0.18 0.90 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1nhq n PRO 246 Cb 0.53 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1nhq n PRO 246 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1nhq n ASN 247 N 1.15 4.67 0.00 3.54 4.05 0.11 -4.54 115.26 124.25 1nhq n ASN 247 Ca 0.05 -3.01 0.00 0.00 0.45 0.00 0.00 54.58 52.07 1nhq n ASN 247 Cb 0.37 -1.55 0.00 0.00 1.23 0.00 0.00 39.78 39.83 1nhq n ASN 247 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1nhq n THR 248 N 4.03 0.17 -0.12 -0.44 -2.24 -1.26 -4.78 114.28 109.65 1nhq n THR 248 Ca 0.44 -0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.04 1nhq n THR 248 Cb 0.38 1.24 0.43 0.00 -2.10 0.00 0.00 70.33 70.28 1nhq n THR 248 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nhq h ALA 249 N 0.00 1.84 0.00 6.98 0.00 -1.91 0.92 119.26 127.09 1nhq h ALA 249 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nhq h ALA 249 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nhq h ALA 249 CO 0.00 0.04 0.00 -2.67 0.00 0.00 0.00 179.25 176.62 1nhq n TRP 250 N -4.48 0.00 0.98 0.00 4.27 -1.26 -2.04 117.44 114.92 1nhq n TRP 250 Ca 0.09 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.82 1nhq n TRP 250 Cb 0.27 -0.47 0.07 0.00 -1.36 0.00 0.00 31.31 29.82 1nhq n TRP 250 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1nhq n LEU 251 N -1.47 2.67 -4.70 5.67 4.77 0.31 -4.88 117.00 119.37 1nhq n LEU 251 Ca 0.04 -0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 1nhq n LEU 251 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1nhq n LEU 251 CO 0.12 0.46 1.16 -0.75 -1.33 0.00 0.00 177.39 177.04 1nhq s LYS 252 N -2.12 4.27 0.00 3.23 2.20 -0.86 -1.06 119.74 125.40 1nhq s LYS 252 Ca 0.25 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 1nhq s LYS 252 Cb 0.19 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1nhq s LYS 252 CO 0.38 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1nhq n GLY 253 N 3.68 2.57 0.14 5.54 0.00 -1.26 -4.86 105.19 111.00 1nhq n GLY 253 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1nhq n GLY 253 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nhq n THR 254 N -2.00 1.53 -4.34 2.61 -1.04 -0.22 -5.00 114.28 105.82 1nhq n THR 254 Ca 0.00 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.05 61.39 1nhq n THR 254 Cb 0.00 -1.86 -0.12 0.00 -1.82 0.00 0.00 70.33 66.52 1nhq n THR 254 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nhq s LEU 255 N -7.47 2.35 0.16 -4.42 1.43 -0.94 -4.92 118.68 104.87 1nhq s LEU 255 Ca -0.37 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 51.66 1nhq s LEU 255 Cb 0.14 -1.00 -0.08 0.00 0.03 0.00 0.00 46.19 45.27 1nhq s LEU 255 CO 0.51 0.08 1.33 -1.61 0.23 0.00 0.00 176.35 176.89 1nhq s GLU 256 N -2.23 4.37 0.14 1.70 2.02 -1.26 -4.74 118.70 118.70 1nhq s GLU 256 Ca 0.12 2.04 0.09 0.00 0.02 0.00 0.00 54.97 57.24 1nhq s GLU 256 Cb -0.09 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1nhq s GLU 256 CO 0.06 -0.31 -0.20 -0.51 0.02 0.00 0.00 175.26 174.33 1nhq s LEU 257 N 0.33 2.38 0.72 1.80 1.43 -1.26 -1.89 118.68 122.19 1nhq s LEU 257 Ca 0.59 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1nhq s LEU 257 Cb -0.36 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.01 1nhq s LEU 257 CO 0.35 0.01 1.09 -1.00 0.23 0.00 0.00 176.35 177.03 1nhq s HIS 258 N -1.68 3.21 0.42 0.29 3.76 0.88 -4.85 115.29 117.32 1nhq s HIS 258 Ca 0.12 1.13 0.18 0.00 -0.15 0.00 0.00 55.06 56.34 1nhq s HIS 258 Cb -0.07 -3.03 1.09 0.00 1.11 0.00 0.00 32.58 31.67 1nhq s HIS 258 CO 0.06 -1.29 1.86 -1.35 -0.85 0.00 0.00 174.74 173.17 1nhq h PRO 259 N -0.74 0.38 -0.15 8.40 0.11 -2.01 -0.06 132.00 137.93 1nhq h PRO 259 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nhq h PRO 259 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nhq h PRO 259 CO 0.62 0.25 0.00 0.27 -0.21 0.00 0.00 178.00 178.93 1nhq n ASN 260 N -4.50 0.89 0.00 -2.05 0.23 -1.26 -4.91 115.26 103.66 1nhq n ASN 260 Ca 0.19 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 1nhq n ASN 260 Cb 0.69 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1nhq n ASN 260 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nhq n GLY 261 N 0.83 1.30 3.77 4.83 0.00 -0.04 -4.78 105.19 111.10 1nhq n GLY 261 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1nhq n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nhq s LEU 262 N 0.00 4.09 0.13 0.99 1.02 -1.26 -4.70 118.68 118.96 1nhq s LEU 262 Ca 0.00 2.36 -0.30 0.00 0.02 0.00 0.00 54.13 56.21 1nhq s LEU 262 Cb 0.00 -4.13 -0.07 0.00 0.02 0.00 0.00 46.19 42.01 1nhq s LEU 262 CO 0.00 -0.84 1.15 -0.63 0.02 0.00 0.00 176.35 176.05 1nhq s ILE 263 N -1.47 3.91 -0.02 -0.59 1.01 -0.05 -0.08 121.20 123.91 1nhq s ILE 263 Ca 0.61 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 62.48 1nhq s ILE 263 Cb -0.30 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1nhq s ILE 263 CO 0.38 0.20 1.14 -0.54 0.00 0.00 0.00 174.94 176.12 1nhq s LYS 264 N 0.21 4.42 0.09 2.79 1.02 -0.79 -4.45 119.74 123.02 1nhq s LYS 264 Ca 0.53 1.62 0.01 0.00 0.02 0.00 0.00 55.97 58.16 1nhq s LYS 264 Cb -0.30 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 1nhq s LYS 264 CO 0.33 -0.32 -0.05 0.95 -0.92 0.00 0.00 175.35 175.34 1nhq s THR 265 N 1.68 0.55 0.00 2.17 -4.23 -1.26 -4.15 115.64 110.41 1nhq s THR 265 Ca 0.55 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1nhq s THR 265 Cb -0.25 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1nhq s THR 265 CO 0.24 -0.87 0.00 -0.90 -0.54 0.00 0.00 174.62 172.55 1nhq n ASP 266 N -0.02 0.11 0.00 3.99 5.68 -0.75 -4.94 116.55 120.62 1nhq n ASP 266 Ca -0.12 -0.92 0.10 0.00 -0.50 0.00 0.00 54.79 53.34 1nhq n ASP 266 Cb 0.61 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.13 1nhq n ASP 266 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1nhq n GLU 267 N -0.88 0.48 -0.27 0.11 0.00 -1.26 -1.43 120.64 117.39 1nhq n GLU 267 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 57.16 57.28 1nhq n GLU 267 Cb 0.00 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.16 1nhq n GLU 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1nhq n TYR 268 N -1.11 0.69 -1.09 -1.84 4.01 -1.26 -1.23 117.16 115.33 1nhq n TYR 268 Ca 0.12 -0.53 -0.03 0.00 -0.16 0.00 0.00 57.90 57.31 1nhq n TYR 268 Cb 0.10 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1nhq n TYR 268 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1nhq n MET 269 N 0.80 -0.79 -2.69 -0.72 2.81 -0.51 -4.64 117.12 111.39 1nhq n MET 269 Ca 0.16 0.41 -0.40 0.00 -1.81 0.00 0.00 57.70 56.07 1nhq n MET 269 Cb 0.53 -4.14 -0.06 0.00 -0.71 0.00 0.00 33.22 28.85 1nhq n MET 269 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1nhq s ARG 270 N -1.49 4.80 0.00 0.03 0.52 -1.26 -1.47 118.95 120.08 1nhq s ARG 270 Ca 0.00 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.77 1nhq s ARG 270 Cb 0.00 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1nhq s ARG 270 CO 0.00 0.44 0.00 0.25 0.02 0.00 0.00 175.30 176.01 1nhq n THR 271 N 1.38 0.00 0.41 0.02 -2.24 -0.73 -1.82 114.28 111.30 1nhq n THR 271 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1nhq n THR 271 Cb 0.47 -1.62 0.49 0.00 -2.10 0.00 0.00 70.33 67.56 1nhq n THR 271 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nhq n SER 272 N -2.45 0.68 -4.62 3.42 3.41 -1.26 -4.77 113.62 108.03 1nhq n SER 272 Ca 0.00 0.66 -0.33 0.00 -0.26 0.00 0.00 58.87 58.94 1nhq n SER 272 Cb 0.00 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.04 1nhq n SER 272 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nhq s GLU 273 N -3.31 2.73 0.13 4.33 0.41 -1.26 -5.00 118.70 116.73 1nhq s GLU 273 Ca 0.04 -0.58 -0.35 0.00 -0.41 0.00 0.00 54.97 53.67 1nhq s GLU 273 Cb 0.09 -2.61 -0.16 0.00 -1.78 0.00 0.00 34.13 29.68 1nhq s GLU 273 CO 0.40 0.65 1.32 -2.30 -0.49 0.00 0.00 175.26 174.84 1nhq n PRO 274 N 1.90 1.33 -1.37 0.39 -0.02 -1.26 -3.12 135.00 132.85 1nhq n PRO 274 Ca -0.17 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 1nhq n PRO 274 Cb 0.53 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 1nhq n PRO 274 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nhq n ASP 275 N 2.47 -4.94 -4.05 2.55 8.00 -1.26 -4.97 116.55 114.35 1nhq n ASP 275 Ca 0.17 0.32 -0.27 0.00 0.71 0.00 0.00 54.79 55.71 1nhq n ASP 275 Cb 0.23 -3.56 -0.17 0.00 -0.02 0.00 0.00 41.12 37.60 1nhq n ASP 275 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nhq s VAL 276 N -2.34 1.36 0.12 2.53 0.11 -1.18 -1.42 120.40 119.58 1nhq s VAL 276 Ca 0.00 -0.59 0.09 0.00 -2.93 0.00 0.00 61.98 58.55 1nhq s VAL 276 Cb 0.00 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 1nhq s VAL 276 CO 0.00 0.41 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.65 1nhq s PHE 277 N 0.79 2.56 0.02 1.54 0.40 -0.33 -1.78 117.98 121.18 1nhq s PHE 277 Ca -0.11 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1nhq s PHE 277 Cb -0.16 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 1nhq s PHE 277 CO 0.02 0.39 -0.05 0.00 0.70 0.00 0.00 175.22 176.28 1nhq s ALA 278 N -1.16 0.37 0.08 5.36 0.00 -0.54 -1.12 121.76 124.76 1nhq s ALA 278 Ca 0.18 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 1nhq s ALA 278 Cb -0.11 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1nhq s ALA 278 CO 0.11 -0.01 0.10 0.08 0.00 0.00 0.00 175.76 176.03 1nhq s VAL 279 N -0.89 0.16 0.00 0.00 1.01 -0.79 -4.80 120.40 115.09 1nhq s VAL 279 Ca -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1nhq s VAL 279 Cb -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1nhq s VAL 279 CO -0.00 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1nhq n GLY 280 N -0.01 -1.15 0.37 4.51 0.00 -1.26 -4.28 105.19 103.37 1nhq n GLY 280 Ca -0.13 -1.57 0.19 0.00 0.00 0.00 0.00 46.02 44.51 1nhq n GLY 280 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nhq h ASP 281 N 1.57 0.00 -0.08 1.61 5.19 -1.90 -1.57 116.42 121.23 1nhq h ASP 281 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nhq h ASP 281 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1nhq h ASP 281 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1nhq n ALA 282 N -2.38 2.50 -2.41 3.45 0.00 -1.26 -4.89 120.51 115.52 1nhq n ALA 282 Ca 0.06 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1nhq n ALA 282 Cb 0.53 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 1nhq n ALA 282 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nhq s THR 283 N -1.89 0.80 0.27 0.00 -4.23 -0.59 -0.87 115.64 109.12 1nhq s THR 283 Ca 0.08 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1nhq s THR 283 Cb 0.04 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1nhq s THR 283 CO 0.06 0.00 0.45 -0.76 -0.54 0.00 0.00 174.62 173.82 1nhq s LEU 284 N -3.44 4.17 0.06 4.79 2.01 -1.26 -4.61 118.68 120.40 1nhq s LEU 284 Ca 0.35 0.33 0.03 0.00 0.01 0.00 0.00 54.13 54.84 1nhq s LEU 284 Cb 0.07 -3.14 -0.03 0.00 0.01 0.00 0.00 46.19 43.10 1nhq s LEU 284 CO 0.15 -0.15 -0.09 -0.51 1.01 0.00 0.00 176.35 176.76 1nhq s ILE 285 N -2.08 0.70 -0.02 -0.59 2.07 0.13 -4.89 121.20 116.52 1nhq s ILE 285 Ca 0.38 -1.34 -0.30 0.00 -1.41 0.00 0.00 60.65 57.97 1nhq s ILE 285 Cb -0.10 -0.97 -0.06 0.00 0.13 0.00 0.00 42.46 41.46 1nhq s ILE 285 CO 0.32 -0.47 1.58 -0.75 -1.91 0.00 0.00 174.94 173.70 1nhq s LYS 286 N -2.18 4.21 -0.43 3.50 2.20 -1.26 -1.16 119.74 124.62 1nhq s LYS 286 Ca -0.03 2.14 -0.08 0.00 -0.36 0.00 0.00 55.97 57.65 1nhq s LYS 286 Cb -0.06 -3.80 0.10 0.00 -1.51 0.00 0.00 37.83 32.56 1nhq s LYS 286 CO -0.00 -0.76 0.27 -0.47 -0.36 0.00 0.00 175.35 174.03 1nhq s TYR 287 N 3.35 3.42 0.24 4.03 5.04 0.58 -0.89 117.35 133.12 1nhq s TYR 287 Ca 0.70 -1.84 -0.05 0.00 -2.44 0.00 0.00 57.07 53.44 1nhq s TYR 287 Cb -0.34 -3.17 0.26 0.00 0.35 0.00 0.00 41.96 39.07 1nhq s TYR 287 CO 0.29 -0.92 1.81 -0.91 -1.34 0.00 0.00 175.55 174.47 1nhq h ASN 288 N 8.33 0.99 -0.99 4.32 -0.26 -1.43 -1.48 115.58 125.07 1nhq h ASN 288 Ca -0.20 -0.15 0.26 0.00 -0.56 0.00 0.00 56.30 55.65 1nhq h ASN 288 Cb 1.07 -0.26 -0.06 0.00 -1.06 0.00 0.00 38.32 38.01 1nhq h ASN 288 CO 0.77 0.89 0.68 -0.65 -1.06 0.00 0.00 177.43 178.06 1nhq h PRO 289 N 1.05 0.20 0.00 0.81 0.11 -1.90 -2.58 132.00 129.70 1nhq h PRO 289 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1nhq h PRO 289 Cb 0.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1nhq h PRO 289 CO -0.02 0.13 -0.02 0.00 -0.21 0.00 0.00 178.00 177.88 1nhq n ALA 290 N -2.61 1.87 -4.16 -0.75 0.00 -1.16 -5.00 120.51 108.70 1nhq n ALA 290 Ca 0.22 -1.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.20 1nhq n ALA 290 Cb 0.93 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.24 1nhq n ALA 290 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nhq n ASP 291 N -0.54 -0.22 -3.17 0.00 2.03 -0.57 -4.96 116.55 109.12 1nhq n ASP 291 Ca 0.02 -1.13 -0.18 0.00 0.52 0.00 0.00 54.79 54.02 1nhq n ASP 291 Cb 0.37 -2.38 -0.07 0.00 -0.72 0.00 0.00 41.12 38.33 1nhq n ASP 291 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1nhq n THR 292 N -4.45 0.00 -4.31 5.18 5.66 -1.11 -4.98 114.28 110.27 1nhq n THR 292 Ca -0.25 -2.29 -0.34 0.00 -3.05 0.00 0.00 64.05 58.11 1nhq n THR 292 Cb 0.66 1.19 -0.11 0.00 -1.55 0.00 0.00 70.33 70.51 1nhq n THR 292 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1nhq s GLU 293 N -3.24 3.64 0.03 1.09 0.41 -1.26 -0.31 118.70 119.07 1nhq s GLU 293 Ca 0.38 -0.46 0.01 0.00 -0.41 0.00 0.00 54.97 54.48 1nhq s GLU 293 Cb 0.01 -2.97 -0.02 0.00 -1.78 0.00 0.00 34.13 29.38 1nhq s GLU 293 CO 0.27 0.32 -0.04 0.08 -0.49 0.00 0.00 175.26 175.39 1nhq s VAL 294 N 0.17 0.22 -0.43 2.63 1.01 -0.31 -4.86 120.40 118.84 1nhq s VAL 294 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 1nhq s VAL 294 Cb -0.13 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1nhq s VAL 294 CO 0.02 -0.47 0.97 0.21 0.00 0.00 0.00 175.10 175.84 1nhq s ASN 295 N -1.49 6.61 -0.33 3.32 2.47 -1.26 -0.69 114.94 123.56 1nhq s ASN 295 Ca -0.14 0.39 0.01 0.00 0.42 0.00 0.00 52.86 53.54 1nhq s ASN 295 Cb -0.10 -2.48 0.10 0.00 -1.45 0.00 0.00 41.25 37.32 1nhq s ASN 295 CO -0.01 -1.02 0.08 -0.63 -3.72 0.00 0.00 177.10 171.81 1nhq s ILE 296 N 3.79 1.51 -1.28 -5.21 1.01 -1.26 -5.01 121.20 114.75 1nhq s ILE 296 Ca 0.40 -1.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.01 1nhq s ILE 296 Cb -0.10 -2.13 0.04 0.00 0.01 0.00 0.00 42.46 40.28 1nhq s ILE 296 CO 0.24 -0.65 1.80 0.00 0.00 0.00 0.00 174.94 176.33 1nhq n ALA 297 N 4.55 3.29 -2.63 9.38 0.00 -1.26 -4.87 120.51 128.97 1nhq n ALA 297 Ca 0.01 -3.69 -0.19 0.00 0.00 0.00 0.00 53.44 49.57 1nhq n ALA 297 Cb 0.42 -3.58 -0.12 0.00 0.00 0.00 0.00 19.45 16.17 1nhq n ALA 297 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nhq s LEU 298 N 5.44 2.31 0.26 0.00 1.43 -1.26 -5.04 118.68 121.82 1nhq s LEU 298 Ca 0.57 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1nhq s LEU 298 Cb 0.04 -0.58 0.31 0.00 0.03 0.00 0.00 46.19 45.98 1nhq s LEU 298 CO 0.09 -0.07 1.94 0.00 0.23 0.00 0.00 176.35 178.53 1nhq h ALA 299 N 4.07 1.32 -0.75 4.21 0.00 -2.00 -2.60 119.26 123.50 1nhq h ALA 299 Ca -0.41 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1nhq h ALA 299 Cb 1.19 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1nhq h ALA 299 CO 0.43 0.64 0.45 1.79 0.00 0.00 0.00 179.25 182.55 1nhq h THR 300 N 1.30 1.01 -0.02 0.00 1.35 -1.97 -1.65 112.91 112.92 1nhq h THR 300 Ca 0.35 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1nhq h THR 300 Cb -0.15 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 66.39 1nhq h THR 300 CO -0.08 0.15 0.01 0.78 -0.25 0.00 0.00 175.52 176.13 1nhq h ASN 301 N 0.82 0.04 -1.00 5.36 2.35 -1.81 -2.38 115.58 118.96 1nhq h ASN 301 Ca 0.33 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1nhq h ASN 301 Cb 0.17 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1nhq h ASN 301 CO -0.17 0.26 0.65 0.00 -1.65 0.00 0.00 177.43 176.52 1nhq h ALA 302 N 0.78 1.35 -0.44 -0.83 0.00 -1.23 -0.79 119.26 118.09 1nhq h ALA 302 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1nhq h ALA 302 Cb 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nhq h ALA 302 CO 0.00 0.55 0.02 0.00 0.00 0.00 0.00 179.25 179.81 1nhq h ARG 303 N 1.26 0.77 -0.34 0.00 3.08 -1.18 -1.37 114.38 116.60 1nhq h ARG 303 Ca 0.40 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1nhq h ARG 303 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1nhq h ARG 303 CO -0.13 0.83 -0.18 0.87 -1.07 0.00 0.00 179.97 180.29 1nhq h LYS 304 N 0.62 0.73 -0.78 0.04 1.57 -1.04 -2.87 116.57 114.84 1nhq h LYS 304 Ca 0.13 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1nhq h LYS 304 Cb 0.47 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1nhq h LYS 304 CO 0.02 0.93 0.46 1.96 -0.57 0.00 0.00 179.45 182.26 1nhq h GLN 305 N 0.50 1.07 -0.53 3.15 4.20 -1.13 -1.95 115.11 120.42 1nhq h GLN 305 Ca 0.07 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.74 1nhq h GLN 305 Cb 0.73 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 1nhq h GLN 305 CO 0.05 0.76 0.23 0.78 -0.67 0.00 0.00 178.83 179.98 1nhq h GLY 306 N 1.07 0.73 1.14 3.46 0.00 -1.12 -0.46 103.07 107.90 1nhq h GLY 306 Ca 0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 1nhq h GLY 306 CO -0.05 0.05 -0.11 3.21 0.00 0.00 0.00 176.54 179.65 1nhq h ARG 307 N 0.44 1.00 0.00 4.80 3.08 -1.31 -3.06 114.38 119.34 1nhq h ARG 307 Ca 0.25 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1nhq h ARG 307 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1nhq h ARG 307 CO -0.22 1.04 -0.36 0.74 -1.07 0.00 0.00 179.97 180.11 1nhq h PHE 308 N 0.89 0.00 -0.43 3.04 -1.00 -0.72 -1.72 116.94 117.00 1nhq h PHE 308 Ca 0.14 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1nhq h PHE 308 Cb 0.66 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.20 1nhq h PHE 308 CO 0.04 0.36 0.24 0.00 -1.61 0.00 0.00 178.31 177.34 1nhq h ALA 309 N 1.64 0.56 -0.45 2.45 0.00 -1.01 -2.10 119.26 120.35 1nhq h ALA 309 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1nhq h ALA 309 Cb 0.70 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1nhq h ALA 309 CO 0.05 0.08 -0.12 0.28 0.00 0.00 0.00 179.25 179.54 1nhq h VAL 310 N 0.57 1.26 -0.13 0.00 2.07 -1.38 -2.31 116.25 116.33 1nhq h VAL 310 Ca 0.15 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1nhq h VAL 310 Cb 0.05 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1nhq h VAL 310 CO -0.02 0.41 0.04 0.11 0.02 0.00 0.00 177.57 178.13 1nhq h LYS 311 N 0.74 0.18 -0.58 1.57 1.57 -0.96 -2.57 116.57 116.53 1nhq h LYS 311 Ca 0.12 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1nhq h LYS 311 Cb 0.62 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1nhq h LYS 311 CO 0.04 0.17 0.09 0.09 -0.57 0.00 0.00 179.45 179.27 1nhq n ASN 312 N -4.46 5.05 -0.30 0.86 4.13 -0.82 -4.65 115.26 115.06 1nhq n ASN 312 Ca -0.01 -3.08 -0.05 0.00 1.68 0.00 0.00 54.58 53.12 1nhq n ASN 312 Cb 0.12 -0.68 0.07 0.00 -1.54 0.00 0.00 39.78 37.75 1nhq n ASN 312 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1nhq h LEU 313 N 3.10 1.01 0.00 3.41 5.85 -1.08 -3.26 115.31 124.34 1nhq h LEU 313 Ca 0.10 -0.10 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 1nhq h LEU 313 Cb 2.02 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.72 1nhq h LEU 313 CO 0.53 0.82 -2.40 -0.62 -0.34 0.00 0.00 178.44 176.44 1nhq n GLU 314 N -4.41 0.70 -3.87 1.25 1.02 -1.26 -4.99 120.64 109.07 1nhq n GLU 314 Ca 0.08 0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1nhq n GLU 314 Cb 0.09 -1.51 -0.11 0.00 -0.02 0.00 0.00 31.44 29.89 1nhq n GLU 314 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nhq s GLU 315 N -2.49 0.29 -1.19 3.49 2.02 -1.23 -5.07 118.70 114.52 1nhq s GLU 315 Ca -0.23 -0.19 -0.22 0.00 0.02 0.00 0.00 54.97 54.36 1nhq s GLU 315 Cb 0.07 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 1nhq s GLU 315 CO 0.68 -0.06 1.87 -1.25 0.02 0.00 0.00 175.26 176.53 1nhq s PRO 316 N -0.74 2.90 0.00 0.39 0.04 -1.26 -4.39 135.00 131.94 1nhq s PRO 316 Ca -0.08 -1.32 0.10 0.00 0.04 0.00 0.00 61.00 59.74 1nhq s PRO 316 Cb -0.05 -5.31 -0.10 0.00 0.04 0.00 0.00 34.50 29.08 1nhq s PRO 316 CO 0.00 -3.47 0.46 1.55 0.04 0.00 0.00 177.00 175.59 1nhq n VAL 317 N 7.43 0.00 -3.46 -0.36 3.14 -1.26 -4.93 118.33 118.90 1nhq n VAL 317 Ca 0.45 -0.27 -0.28 0.00 -2.96 0.00 0.00 64.34 61.28 1nhq n VAL 317 Cb 0.47 1.01 -0.12 0.00 -1.06 0.00 0.00 33.84 34.14 1nhq n VAL 317 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1nhq s LYS 318 N -1.90 0.53 0.51 1.45 2.47 -1.26 -5.11 119.74 116.41 1nhq s LYS 318 Ca 0.04 -1.24 -0.22 0.00 -1.56 0.00 0.00 55.97 53.00 1nhq s LYS 318 Cb 0.08 -1.24 -0.06 0.00 -1.46 0.00 0.00 37.83 35.15 1nhq s LYS 318 CO 0.40 -1.20 1.22 -1.25 0.16 0.00 0.00 175.35 174.68 1nhq s PRO 319 N 1.16 3.46 0.17 4.03 0.04 -1.26 -4.77 135.00 137.84 1nhq s PRO 319 Ca 0.17 1.89 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 1nhq s PRO 319 Cb -0.22 -2.27 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 1nhq s PRO 319 CO -0.01 -0.83 1.53 0.12 0.04 0.00 0.00 177.00 177.85 1nhq s PHE 320 N -1.51 3.08 0.19 0.56 5.36 -0.36 -4.93 117.98 120.37 1nhq s PHE 320 Ca 0.68 0.72 0.31 0.00 -0.96 0.00 0.00 56.93 57.68 1nhq s PHE 320 Cb -0.31 -3.89 1.35 0.00 -0.34 0.00 0.00 43.02 39.83 1nhq s PHE 320 CO 0.37 -3.20 1.99 -1.35 -1.46 0.00 0.00 175.22 171.56 1nhq h PRO 321 N 6.56 0.00 0.00 10.12 0.11 -1.93 -3.49 132.00 143.37 1nhq h PRO 321 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1nhq h PRO 321 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1nhq h PRO 321 CO 0.89 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 1nhq n GLY 322 N -0.11 1.44 3.33 -0.55 0.00 -1.26 -4.91 105.19 103.12 1nhq n GLY 322 Ca -0.00 -1.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 1nhq n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nhq s VAL 323 N -2.88 0.70 -1.05 1.61 -7.23 -0.07 -4.88 120.40 106.60 1nhq s VAL 323 Ca 0.00 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1nhq s VAL 323 Cb 0.00 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1nhq s VAL 323 CO 0.00 -0.09 0.69 0.00 -0.31 0.00 0.00 175.10 175.38 1nhq n GLN 324 N -0.46 1.93 -1.93 4.82 3.00 -1.26 -1.21 117.38 122.27 1nhq n GLN 324 Ca -0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1nhq n GLN 324 Cb 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 29.77 1nhq n GLN 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nhq n GLY 325 N 0.93 0.43 3.74 1.08 0.00 -1.26 -0.78 105.19 109.33 1nhq n GLY 325 Ca 0.05 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1nhq n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nhq s SER 326 N -2.97 6.69 0.10 1.61 0.01 -1.26 -4.57 113.70 113.32 1nhq s SER 326 Ca 0.00 2.61 -0.07 0.00 1.31 0.00 0.00 55.95 59.79 1nhq s SER 326 Cb 0.00 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1nhq s SER 326 CO 0.00 -0.69 0.18 -0.94 0.41 0.00 0.00 173.24 172.20 1nhq s SER 327 N 0.46 0.15 0.02 2.44 1.04 -0.35 -5.00 113.70 112.46 1nhq s SER 327 Ca 0.60 -0.77 -0.28 0.00 0.48 0.00 0.00 55.95 55.98 1nhq s SER 327 Cb -0.41 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.12 1nhq s SER 327 CO 0.41 -0.75 0.64 -0.83 0.98 0.00 0.00 173.24 173.69 1nhq s GLY 328 N -2.90 -0.58 -0.06 7.32 0.00 -1.26 -1.18 107.32 108.65 1nhq s GLY 328 Ca 0.09 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 1nhq s GLY 328 CO -0.08 0.68 0.90 -2.27 0.00 0.00 0.00 173.10 172.33 1nhq s LEU 329 N -1.69 -0.40 -0.12 0.66 2.96 -0.74 -5.00 118.68 114.34 1nhq s LEU 329 Ca -0.07 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1nhq s LEU 329 Cb -0.00 2.04 -0.03 0.00 0.50 0.00 0.00 46.19 48.69 1nhq s LEU 329 CO 0.03 -0.52 0.01 0.00 -1.32 0.00 0.00 176.35 174.54 1nhq s ALA 330 N -2.17 3.28 -0.26 5.97 0.00 -1.26 -1.26 121.76 126.05 1nhq s ALA 330 Ca 0.01 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1nhq s ALA 330 Cb -0.01 -1.60 0.07 0.00 0.00 0.00 0.00 23.12 21.59 1nhq s ALA 330 CO -0.03 0.44 -0.00 0.08 0.00 0.00 0.00 175.76 176.25 1nhq s VAL 331 N -0.41 1.46 0.00 0.00 1.01 0.58 -4.99 120.40 118.05 1nhq s VAL 331 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1nhq s VAL 331 Cb -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1nhq s VAL 331 CO 0.02 -0.30 0.00 0.49 0.00 0.00 0.00 175.10 175.31 1nhq n PHE 332 N 4.66 0.00 0.62 5.22 3.72 -1.26 -1.28 117.46 129.15 1nhq n PHE 332 Ca -0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 1nhq n PHE 332 Cb 0.43 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.35 1nhq n PHE 332 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nhq n ASP 333 N 6.39 0.80 -4.78 4.37 8.00 -1.26 -4.87 116.55 125.20 1nhq n ASP 333 Ca 0.00 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.64 1nhq n ASP 333 Cb 0.00 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.36 1nhq n ASP 333 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1nhq s TYR 334 N -3.11 3.71 -0.17 1.24 2.02 -0.40 -4.30 117.35 116.35 1nhq s TYR 334 Ca 0.10 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.98 1nhq s TYR 334 Cb 0.12 -2.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 1nhq s TYR 334 CO 0.61 0.45 -0.17 0.15 -1.57 0.00 0.00 175.55 175.02 1nhq s LYS 335 N -0.51 3.14 0.24 -0.62 1.02 -0.09 -0.30 119.74 122.60 1nhq s LYS 335 Ca 0.29 -0.78 0.09 0.00 0.02 0.00 0.00 55.97 55.59 1nhq s LYS 335 Cb -0.18 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 1nhq s LYS 335 CO 0.17 -0.08 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.78 1nhq s PHE 336 N 1.02 1.92 -0.02 3.18 -0.12 -0.39 -2.44 117.98 121.12 1nhq s PHE 336 Ca -0.02 -0.52 -0.15 0.00 -0.05 0.00 0.00 56.93 56.20 1nhq s PHE 336 Cb -0.15 -0.90 0.02 0.00 -0.63 0.00 0.00 43.02 41.37 1nhq s PHE 336 CO -0.04 0.46 0.31 0.00 -0.05 0.00 0.00 175.22 175.90 1nhq s ALA 337 N -2.84 -0.79 0.09 1.99 0.00 -0.69 -1.79 121.76 117.72 1nhq s ALA 337 Ca 0.26 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1nhq s ALA 337 Cb -0.01 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1nhq s ALA 337 CO 0.10 -0.25 0.27 -1.54 0.00 0.00 0.00 175.76 174.33 1nhq s SER 338 N -1.19 -0.02 0.07 0.00 1.04 -0.33 -1.54 113.70 111.74 1nhq s SER 338 Ca -0.12 -0.49 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 1nhq s SER 338 Cb -0.05 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1nhq s SER 338 CO 0.04 -0.75 0.43 0.28 0.98 0.00 0.00 173.24 174.22 1nhq s THR 339 N -3.66 0.05 0.00 2.02 -1.32 -0.67 -1.22 115.64 110.85 1nhq s THR 339 Ca 0.03 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1nhq s THR 339 Cb 0.03 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1nhq s THR 339 CO -0.10 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 1nhq n GLY 340 N 0.24 -0.06 3.73 6.08 0.00 0.04 -1.63 105.19 113.59 1nhq n GLY 340 Ca -0.18 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1nhq n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nhq s ILE 341 N 0.00 4.57 0.00 -0.61 1.01 -0.09 -4.84 121.20 121.24 1nhq s ILE 341 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.62 1nhq s ILE 341 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1nhq s ILE 341 CO 0.00 0.32 0.00 -0.46 0.00 0.00 0.00 174.94 174.80 1nhq n ASN 342 N 2.84 1.23 -0.09 3.58 0.23 -1.26 -4.26 115.26 117.53 1nhq n ASN 342 Ca 0.01 -0.93 -0.11 0.00 -0.53 0.00 0.00 54.58 53.02 1nhq n ASN 342 Cb 0.49 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.16 1nhq n ASN 342 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1nhq h GLU 343 N 0.00 0.48 -0.56 -3.83 4.81 -1.92 -0.74 114.58 112.82 1nhq h GLU 343 Ca 0.00 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1nhq h GLU 343 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1nhq h GLU 343 CO 0.00 0.63 0.21 0.28 -0.73 0.00 0.00 179.01 179.40 1nhq h VAL 344 N 0.27 1.23 -0.42 0.32 2.07 -1.93 -1.69 116.25 116.10 1nhq h VAL 344 Ca 0.08 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1nhq h VAL 344 Cb 0.41 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1nhq h VAL 344 CO 0.01 0.28 0.21 0.24 0.02 0.00 0.00 177.57 178.33 1nhq h MET 345 N 0.77 0.61 -0.67 1.57 2.86 -1.85 -1.65 114.93 116.59 1nhq h MET 345 Ca 0.19 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1nhq h MET 345 Cb 0.23 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1nhq h MET 345 CO -0.01 0.53 0.38 0.00 1.06 0.00 0.00 176.91 178.87 1nhq h ALA 346 N 1.05 0.85 -0.26 6.32 0.00 -0.94 -0.58 119.26 125.71 1nhq h ALA 346 Ca 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nhq h ALA 346 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1nhq h ALA 346 CO -0.02 0.35 0.15 1.96 0.00 0.00 0.00 179.25 181.69 1nhq h GLN 347 N 0.91 0.31 -0.63 0.00 4.20 -1.09 0.25 115.11 119.06 1nhq h GLN 347 Ca 0.24 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1nhq h GLN 347 Cb 0.01 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1nhq h GLN 347 CO -0.04 0.20 0.27 -0.22 -0.67 0.00 0.00 178.83 178.38 1nhq h LYS 348 N 0.32 0.92 0.00 1.46 3.64 -0.96 -2.97 116.57 118.97 1nhq h LYS 348 Ca 0.10 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1nhq h LYS 348 Cb -0.00 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1nhq h LYS 348 CO -0.05 0.76 -0.31 1.28 -2.27 0.00 0.00 179.45 178.86 1nhq n LEU 349 N -4.47 0.66 -1.33 5.20 4.77 -0.25 -4.95 117.00 116.62 1nhq n LEU 349 Ca 0.04 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.31 1nhq n LEU 349 Cb 0.15 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1nhq n LEU 349 CO 0.39 -0.08 0.02 0.61 -1.33 0.00 0.00 177.39 177.00 1nhq n GLY 350 N 1.36 0.30 3.63 -0.72 0.00 0.77 -5.03 105.19 105.49 1nhq n GLY 350 Ca 0.05 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1nhq n GLY 350 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nhq s LYS 351 N -5.09 3.90 0.06 1.61 2.36 -0.57 -5.04 119.74 116.98 1nhq s LYS 351 Ca 0.14 -0.36 -0.20 0.00 -2.55 0.00 0.00 55.97 53.00 1nhq s LYS 351 Cb -0.06 -3.17 -0.06 0.00 -1.05 0.00 0.00 37.83 33.49 1nhq s LYS 351 CO 0.17 0.30 0.60 -1.21 1.55 0.00 0.00 175.35 176.76 1nhq s GLU 352 N 0.27 4.27 0.15 4.03 0.41 -1.26 -4.67 118.70 121.90 1nhq s GLU 352 Ca 0.03 0.78 -0.00 0.00 -0.41 0.00 0.00 54.97 55.37 1nhq s GLU 352 Cb -0.12 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 1nhq s GLU 352 CO 0.01 0.56 0.05 0.95 -0.49 0.00 0.00 175.26 176.34 1nhq s THR 353 N -0.88 0.24 0.21 3.63 -4.23 -1.26 -4.58 115.64 108.78 1nhq s THR 353 Ca 0.30 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 1nhq s THR 353 Cb -0.20 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 1nhq s THR 353 CO 0.19 -0.41 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.21 1nhq s LYS 354 N -4.03 1.34 0.03 3.99 1.02 -0.49 -4.85 119.74 116.75 1nhq s LYS 354 Ca 0.26 -1.61 -0.24 0.00 0.02 0.00 0.00 55.97 54.40 1nhq s LYS 354 Cb 0.07 -1.04 0.06 0.00 -0.52 0.00 0.00 37.83 36.40 1nhq s LYS 354 CO 0.04 0.13 0.55 0.00 -0.92 0.00 0.00 175.35 175.14 1nhq s ALA 355 N -3.05 -1.40 0.02 5.17 0.00 -1.26 -0.99 121.76 120.25 1nhq s ALA 355 Ca 0.23 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.98 1nhq s ALA 355 Cb 0.01 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1nhq s ALA 355 CO 0.07 -0.48 -0.19 0.14 0.00 0.00 0.00 175.76 175.31 1nhq s VAL 356 N -2.21 1.48 -0.09 0.00 -7.23 -0.76 -4.98 120.40 106.62 1nhq s VAL 356 Ca -0.07 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1nhq s VAL 356 Cb -0.01 -1.27 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 1nhq s VAL 356 CO 0.00 0.24 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.91 1nhq s THR 357 N -0.67 1.98 -0.09 5.32 2.01 -1.26 -1.06 115.64 121.88 1nhq s THR 357 Ca 0.06 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1nhq s THR 357 Cb -0.08 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 1nhq s THR 357 CO 0.01 0.55 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 1nhq s VAL 358 N 0.24 2.14 -0.22 3.82 1.01 0.03 -4.97 120.40 122.44 1nhq s VAL 358 Ca -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1nhq s VAL 358 Cb -0.17 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.46 1nhq s VAL 358 CO 0.07 0.56 -0.05 -0.69 0.00 0.00 0.00 175.10 174.99 1nhq s VAL 359 N 0.21 1.43 0.22 2.92 1.01 -1.26 -1.04 120.40 123.89 1nhq s VAL 359 Ca -0.14 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.49 1nhq s VAL 359 Cb -0.17 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1nhq s VAL 359 CO 0.07 -0.08 0.83 -1.83 0.00 0.00 0.00 175.10 174.10 1nhq s GLU 360 N 1.45 1.51 0.28 2.72 -1.05 -0.66 -4.94 118.70 118.00 1nhq s GLU 360 Ca -0.05 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.65 1nhq s GLU 360 Cb -0.18 0.52 -0.10 0.00 -0.44 0.00 0.00 34.13 33.92 1nhq s GLU 360 CO -0.07 -0.69 1.47 -0.51 0.95 0.00 0.00 175.26 176.41 1nhq s ASP 361 N -2.92 6.57 0.00 0.83 1.01 -1.26 -0.61 116.67 120.28 1nhq s ASP 361 Ca 0.11 2.77 0.28 0.00 0.71 0.00 0.00 52.55 56.42 1nhq s ASP 361 Cb -0.04 -2.63 1.06 0.00 1.01 0.00 0.00 42.92 42.32 1nhq s ASP 361 CO 0.04 -0.75 1.77 0.00 0.21 0.00 0.00 175.17 176.45 1nhq n TYR 362 N 1.96 0.00 -4.45 4.23 4.11 -0.51 -4.83 117.16 117.68 1nhq n TYR 362 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.71 1nhq n TYR 362 Cb 0.40 -0.26 -0.10 0.00 -0.00 0.00 0.00 39.34 39.37 1nhq n TYR 362 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nhq s LEU 363 N -2.70 2.60 0.67 -3.48 1.43 -1.26 -3.54 118.68 112.40 1nhq s LEU 363 Ca 0.22 -0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1nhq s LEU 363 Cb 0.19 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 45.26 1nhq s LEU 363 CO 0.53 0.06 1.20 -0.04 0.23 0.00 0.00 176.35 178.33 1nhq s MET 364 N -3.30 2.53 0.29 1.70 -1.94 -1.26 -4.89 119.30 112.42 1nhq s MET 364 Ca 0.28 1.74 -0.03 0.00 -1.71 0.00 0.00 55.69 55.96 1nhq s MET 364 Cb -0.06 -1.88 0.59 0.00 2.01 0.00 0.00 34.83 35.49 1nhq s MET 364 CO 0.14 -1.53 1.57 0.22 -0.01 0.00 0.00 175.02 175.41 1nhq h ASP 365 N 0.17 -0.66 0.68 3.03 1.82 -1.99 -0.31 116.42 119.15 1nhq h ASP 365 Ca -0.49 0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 1nhq h ASP 365 Cb 1.29 0.53 0.00 0.00 0.68 0.00 0.00 39.33 41.83 1nhq h ASP 365 CO 0.52 -0.33 0.00 2.22 -1.61 0.00 0.00 179.24 180.04 1nhq n PHE 366 N -5.54 0.06 -3.12 0.28 1.16 -1.26 -4.71 117.46 104.34 1nhq n PHE 366 Ca 0.19 0.02 -0.41 0.00 -1.87 0.00 0.00 57.45 55.38 1nhq n PHE 366 Cb 0.62 -0.54 -0.07 0.00 -1.61 0.00 0.00 39.48 37.88 1nhq n PHE 366 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1nhq s ASN 367 N -3.10 6.50 0.23 5.98 3.84 -0.13 -4.93 114.94 123.32 1nhq s ASN 367 Ca 0.09 0.43 0.19 0.00 0.21 0.00 0.00 52.86 53.78 1nhq s ASN 367 Cb 0.12 -2.33 0.90 0.00 -0.55 0.00 0.00 41.25 39.39 1nhq s ASN 367 CO 0.36 -0.47 1.57 -0.81 -2.79 0.00 0.00 177.10 174.95 1nhq n PRO 368 N 5.87 0.13 -0.07 0.43 -0.04 -1.26 -1.85 135.00 138.20 1nhq n PRO 368 Ca -0.01 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.05 1nhq n PRO 368 Cb 0.49 -1.83 0.37 0.00 -0.04 0.00 0.00 33.50 32.49 1nhq n PRO 368 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nhq n ASP 369 N -2.08 1.19 -4.77 3.54 8.00 -1.26 -4.94 116.55 116.23 1nhq n ASP 369 Ca 0.00 -1.69 -0.40 0.00 0.71 0.00 0.00 54.79 53.42 1nhq n ASP 369 Cb 0.11 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1nhq n ASP 369 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1nhq s LYS 370 N -1.82 3.90 0.04 -1.24 -2.85 -0.77 -4.97 119.74 112.02 1nhq s LYS 370 Ca 0.28 2.35 -0.00 0.00 -1.00 0.00 0.00 55.97 57.60 1nhq s LYS 370 Cb 0.15 -2.77 -0.03 0.00 -2.06 0.00 0.00 37.83 33.12 1nhq s LYS 370 CO 0.22 -0.62 -0.04 -0.65 0.10 0.00 0.00 175.35 174.37 1nhq s GLN 371 N -2.28 0.48 0.51 1.78 -0.21 -1.26 -5.00 119.66 113.68 1nhq s GLN 371 Ca 0.57 -0.90 -0.21 0.00 0.02 0.00 0.00 55.36 54.85 1nhq s GLN 371 Cb -0.42 0.09 -0.06 0.00 1.00 0.00 0.00 33.01 33.61 1nhq s GLN 371 CO 0.55 -0.06 1.14 0.15 -2.12 0.00 0.00 175.29 174.95 1nhq s LYS 372 N -2.55 3.52 0.00 2.91 -0.14 -1.26 -1.42 119.74 120.80 1nhq s LYS 372 Ca -0.05 1.67 -0.02 0.00 -1.36 0.00 0.00 55.97 56.22 1nhq s LYS 372 Cb -0.02 -2.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.96 1nhq s LYS 372 CO -0.04 -0.73 0.02 0.00 -0.76 0.00 0.00 175.35 173.84 1nhq s ALA 373 N -1.69 -0.03 -0.15 5.17 0.00 0.21 -4.42 121.76 120.86 1nhq s ALA 373 Ca 0.69 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1nhq s ALA 373 Cb -0.26 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1nhq s ALA 373 CO 0.30 -0.11 -0.04 -1.58 0.00 0.00 0.00 175.76 174.33 1nhq s TRP 374 N -0.86 3.03 -0.02 0.00 0.51 -0.14 -1.65 118.94 119.80 1nhq s TRP 374 Ca -0.09 -0.28 -0.00 0.00 -2.12 0.00 0.00 56.10 53.60 1nhq s TRP 374 Cb -0.06 -1.95 0.03 0.00 -0.81 0.00 0.00 33.47 30.68 1nhq s TRP 374 CO -0.00 -0.02 0.04 0.12 -0.51 0.00 0.00 176.95 176.58 1nhq s PHE 375 N 0.31 -0.00 -0.09 -1.98 5.36 -0.21 -1.55 117.98 119.83 1nhq s PHE 375 Ca -0.04 0.15 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 1nhq s PHE 375 Cb -0.14 -0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.38 1nhq s PHE 375 CO 0.03 -0.08 -0.16 0.21 -1.46 0.00 0.00 175.22 173.76 1nhq s LYS 376 N 0.88 2.21 -0.16 10.12 2.20 -0.01 -0.79 119.74 134.20 1nhq s LYS 376 Ca -0.07 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1nhq s LYS 376 Cb -0.10 -1.81 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 1nhq s LYS 376 CO -0.03 0.02 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.70 1nhq s LEU 377 N 0.75 2.74 -0.12 5.43 2.96 -0.22 -1.65 118.68 128.57 1nhq s LEU 377 Ca -0.12 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1nhq s LEU 377 Cb -0.16 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1nhq s LEU 377 CO 0.02 0.11 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.39 1nhq s VAL 378 N 0.68 3.50 0.09 1.68 1.01 -0.45 -1.82 120.40 125.08 1nhq s VAL 378 Ca -0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1nhq s VAL 378 Cb -0.15 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1nhq s VAL 378 CO 0.02 0.53 0.11 -0.72 0.00 0.00 0.00 175.10 175.04 1nhq s TYR 379 N 0.03 0.37 -0.03 5.22 1.13 -0.16 -0.87 117.35 123.04 1nhq s TYR 379 Ca -0.02 -0.83 -0.30 0.00 -1.41 0.00 0.00 57.07 54.51 1nhq s TYR 379 Cb -0.14 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.47 1nhq s TYR 379 CO 0.03 -0.50 1.26 0.34 -2.51 0.00 0.00 175.55 174.18 1nhq s ASP 380 N -2.91 6.99 0.40 -0.18 -1.08 -0.16 -1.39 116.67 118.33 1nhq s ASP 380 Ca 0.09 1.92 0.07 0.00 -0.52 0.00 0.00 52.55 54.10 1nhq s ASP 380 Cb 0.06 -2.56 0.83 0.00 -1.46 0.00 0.00 42.92 39.79 1nhq s ASP 380 CO -0.08 -0.62 2.02 1.55 0.52 0.00 0.00 175.17 178.56 1nhq h PRO 381 N 7.54 0.60 0.07 4.34 0.13 -1.89 0.22 132.00 143.00 1nhq h PRO 381 Ca -0.36 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 1nhq h PRO 381 Cb 1.17 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 32.17 1nhq h PRO 381 CO 0.88 0.39 -0.54 0.93 -0.23 0.00 0.00 178.00 179.44 1nhq h GLU 382 N 0.61 0.14 0.00 0.86 5.08 -1.95 -3.39 114.58 115.93 1nhq h GLU 382 Ca 0.21 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nhq h GLU 382 Cb 0.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nhq h GLU 382 CO -0.05 1.11 -1.36 0.25 -1.00 0.00 0.00 179.01 177.97 1nhq n THR 383 N -4.34 0.22 -1.75 1.13 -2.24 -1.23 -4.96 114.28 101.11 1nhq n THR 383 Ca -0.15 -0.40 -0.20 0.00 -2.27 0.00 0.00 64.05 61.03 1nhq n THR 383 Cb 0.67 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 1nhq n THR 383 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nhq n THR 384 N -2.23 -0.20 -2.17 4.28 -2.24 0.06 -4.93 114.28 106.86 1nhq n THR 384 Ca -0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1nhq n THR 384 Cb 0.51 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 1nhq n THR 384 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nhq s GLN 385 N -3.97 3.51 0.06 -0.78 -0.21 -1.26 -1.80 119.66 115.21 1nhq s GLN 385 Ca 0.00 1.81 -0.31 0.00 0.02 0.00 0.00 55.36 56.88 1nhq s GLN 385 Cb 0.00 -2.25 -0.06 0.00 1.00 0.00 0.00 33.01 31.70 1nhq s GLN 385 CO 0.00 -0.77 1.24 0.42 -2.12 0.00 0.00 175.29 174.06 1nhq s ILE 386 N -1.56 3.90 -0.01 1.08 -1.09 -0.27 -0.99 121.20 122.25 1nhq s ILE 386 Ca 0.68 1.36 0.06 0.00 -2.23 0.00 0.00 60.65 60.52 1nhq s ILE 386 Cb -0.29 -3.87 -0.09 0.00 -1.58 0.00 0.00 42.46 36.63 1nhq s ILE 386 CO 0.35 0.10 0.12 0.18 -1.23 0.00 0.00 174.94 174.45 1nhq n LEU 387 N 4.02 0.00 -3.70 2.97 4.77 -0.05 -4.56 117.00 120.46 1nhq n LEU 387 Ca 0.10 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1nhq n LEU 387 Cb 0.46 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1nhq n LEU 387 CO 0.56 0.02 1.17 -0.83 -1.33 0.00 0.00 177.39 176.98 1nhq s GLY 388 N -2.83 -0.40 -0.01 -0.72 0.00 -0.93 -0.91 107.32 101.51 1nhq s GLY 388 Ca -0.02 0.67 -0.29 0.00 0.00 0.00 0.00 44.72 45.08 1nhq s GLY 388 CO 0.25 1.93 0.74 0.00 0.00 0.00 0.00 173.10 176.02 1nhq s ALA 389 N -2.10 -1.76 0.00 3.20 0.00 -0.64 -1.34 121.76 119.11 1nhq s ALA 389 Ca 0.19 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1nhq s ALA 389 Cb 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 1nhq s ALA 389 CO -0.05 -0.49 -0.02 -0.65 0.00 0.00 0.00 175.76 174.55 1nhq s GLN 390 N -2.02 0.15 0.02 0.00 -0.21 -0.66 -1.68 119.66 115.27 1nhq s GLN 390 Ca -0.05 -0.10 -0.04 0.00 0.02 0.00 0.00 55.36 55.19 1nhq s GLN 390 Cb -0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 33.01 33.87 1nhq s GLN 390 CO 0.01 0.03 0.06 -0.48 -2.12 0.00 0.00 175.29 172.79 1nhq s LEU 391 N -0.14 1.89 -0.09 2.90 0.05 -0.59 -0.83 118.68 121.87 1nhq s LEU 391 Ca -0.00 -0.42 -0.22 0.00 0.05 0.00 0.00 54.13 53.54 1nhq s LEU 391 Cb -0.01 0.44 0.05 0.00 -2.05 0.00 0.00 46.19 44.62 1nhq s LEU 391 CO -0.00 -0.39 0.52 -0.32 -0.55 0.00 0.00 176.35 175.61 1nhq s MET 392 N -1.81 0.80 -0.12 1.48 1.75 -0.59 -1.71 119.30 119.09 1nhq s MET 392 Ca -0.12 0.29 -0.33 0.00 -1.25 0.00 0.00 55.69 54.28 1nhq s MET 392 Cb -0.06 0.37 0.13 0.00 2.84 0.00 0.00 34.83 38.11 1nhq s MET 392 CO -0.01 -0.20 1.09 0.45 -0.65 0.00 0.00 175.02 175.70 1nhq s SER 393 N -0.73 -0.22 0.47 1.11 0.15 -1.02 -0.97 113.70 112.49 1nhq s SER 393 Ca -0.08 0.00 0.27 0.00 0.70 0.00 0.00 55.95 56.84 1nhq s SER 393 Cb -0.03 0.23 0.74 0.00 -1.71 0.00 0.00 66.02 65.26 1nhq s SER 393 CO 0.05 -0.37 1.75 0.11 1.20 0.00 0.00 173.24 175.98 1nhq h LYS 394 N 2.00 0.00 -6.84 5.44 1.57 -1.77 -0.21 116.57 116.76 1nhq h LYS 394 Ca -0.14 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.17 1nhq h LYS 394 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1nhq h LYS 394 CO 0.26 0.04 0.18 0.00 -0.57 0.00 0.00 179.45 179.36 1nhq s ALA 395 N -3.40 3.23 -0.66 3.86 0.00 -1.26 -4.78 121.76 118.76 1nhq s ALA 395 Ca 0.04 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.89 1nhq s ALA 395 Cb 0.07 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.35 1nhq s ALA 395 CO 0.63 0.24 1.08 0.34 0.00 0.00 0.00 175.76 178.05 1nhq s ASP 396 N -2.31 6.23 -0.03 0.00 2.15 -1.26 -4.72 116.67 116.72 1nhq s ASP 396 Ca 0.56 -0.59 0.07 0.00 0.43 0.00 0.00 52.55 53.03 1nhq s ASP 396 Cb -0.10 -2.48 0.19 0.00 -0.30 0.00 0.00 42.92 40.23 1nhq s ASP 396 CO 0.17 -1.53 1.15 0.18 -0.17 0.00 0.00 175.17 174.96 1nhq n LEU 397 N 8.27 2.54 0.24 -1.34 4.77 -1.26 -4.82 117.00 125.40 1nhq n LEU 397 Ca 0.01 -2.21 0.08 0.00 -0.03 0.00 0.00 56.01 53.85 1nhq n LEU 397 Cb 0.47 -0.18 0.61 0.00 -2.33 0.00 0.00 43.42 42.00 1nhq n LEU 397 CO 0.67 0.62 1.07 0.71 -1.33 0.00 0.00 177.39 179.13 1nhq h THR 398 N 0.89 1.02 -0.00 -5.08 1.35 -1.89 -2.45 112.91 106.75 1nhq h THR 398 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1nhq h THR 398 Cb 0.72 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1nhq h THR 398 CO 0.02 0.02 0.02 0.00 -0.25 0.00 0.00 175.52 175.33 1nhq h ALA 399 N 1.97 1.08 0.00 6.62 0.00 -2.00 -0.75 119.26 126.18 1nhq h ALA 399 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nhq h ALA 399 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nhq h ALA 399 CO -0.00 -0.02 -0.03 -0.91 0.00 0.00 0.00 179.25 178.28 1nhq h ASN 400 N 0.00 0.00 0.74 0.00 2.35 -1.84 -1.73 115.58 115.09 1nhq h ASN 400 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1nhq h ASN 400 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1nhq h ASN 400 CO -0.00 0.03 -0.13 -0.29 -1.65 0.00 0.00 177.43 175.40 1nhq h ILE 401 N 0.00 0.39 -0.38 2.81 6.09 -1.35 -2.48 117.51 122.59 1nhq h ILE 401 Ca -0.00 -0.74 -0.08 0.00 -1.37 0.00 0.00 64.86 62.67 1nhq h ILE 401 Cb 0.13 1.54 -0.02 0.00 0.47 0.00 0.00 36.82 38.94 1nhq h ILE 401 CO 0.00 0.12 -0.09 0.78 -3.07 0.00 0.00 178.15 175.90 1nhq h ASN 402 N 0.00 0.63 -0.33 2.19 -0.26 -1.49 -1.01 115.58 115.31 1nhq h ASN 402 Ca -0.00 -0.17 -0.08 0.00 -0.56 0.00 0.00 56.30 55.50 1nhq h ASN 402 Cb 0.53 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1nhq h ASN 402 CO 0.02 0.76 -0.05 0.00 -1.06 0.00 0.00 177.43 177.10 1nhq h ALA 403 N 1.31 1.12 -0.30 -0.83 0.00 -1.58 -2.71 119.26 116.27 1nhq h ALA 403 Ca 0.11 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1nhq h ALA 403 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nhq h ALA 403 CO 0.03 0.56 -0.45 0.82 0.00 0.00 0.00 179.25 180.21 1nhq h ILE 404 N 0.66 1.29 -0.51 0.00 1.08 -1.28 -1.42 117.51 117.33 1nhq h ILE 404 Ca 0.13 -1.63 0.08 0.00 -0.39 0.00 0.00 64.86 63.04 1nhq h ILE 404 Cb 0.48 1.52 -0.06 0.00 -3.07 0.00 0.00 36.82 35.69 1nhq h ILE 404 CO 0.02 0.53 0.16 -1.28 -0.69 0.00 0.00 178.15 176.90 1nhq h SER 405 N 0.63 0.13 -0.57 1.72 0.87 -1.07 -1.21 113.55 114.05 1nhq h SER 405 Ca 0.04 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1nhq h SER 405 Cb 1.02 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1nhq h SER 405 CO 0.10 0.10 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.38 1nhq h LEU 406 N 0.32 1.04 -1.17 2.23 3.38 -1.33 -2.47 115.31 117.32 1nhq h LEU 406 Ca 0.25 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nhq h LEU 406 Cb 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1nhq h LEU 406 CO -0.28 1.11 0.57 0.00 0.09 0.00 0.00 178.44 179.93 1nhq h ALA 407 N 0.98 1.41 -0.05 1.53 0.00 -0.50 0.23 119.26 122.86 1nhq h ALA 407 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nhq h ALA 407 Cb 0.61 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nhq h ALA 407 CO 0.04 0.54 -0.00 0.82 0.00 0.00 0.00 179.25 180.64 1nhq h ILE 408 N 1.14 1.26 -0.96 0.00 2.04 -1.08 -0.93 117.51 118.98 1nhq h ILE 408 Ca 0.32 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.42 1nhq h ILE 408 Cb -0.10 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1nhq h ILE 408 CO -0.08 0.22 0.62 -0.61 0.00 0.00 0.00 178.15 178.31 1nhq h GLN 409 N -0.22 1.15 0.00 2.37 4.15 -1.04 -1.50 115.11 120.01 1nhq h GLN 409 Ca 0.01 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1nhq h GLN 409 Cb 0.35 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1nhq h GLN 409 CO 0.00 0.76 0.00 0.00 -1.93 0.00 0.00 178.83 177.66 1nhq n ALA 410 N -2.36 2.63 -3.53 3.38 0.00 0.03 -4.92 120.51 115.73 1nhq n ALA 410 Ca 0.13 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1nhq n ALA 410 Cb 0.12 -1.51 0.07 0.00 0.00 0.00 0.00 19.45 18.14 1nhq n ALA 410 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nhq n LYS 411 N -1.07 -7.43 -1.63 0.00 4.76 -0.56 -4.99 118.16 107.23 1nhq n LYS 411 Ca 0.21 0.83 -0.31 0.00 -2.87 0.00 0.00 58.31 56.18 1nhq n LYS 411 Cb 0.14 -5.85 0.06 0.00 -1.84 0.00 0.00 35.03 27.53 1nhq n LYS 411 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1nhq s MET 412 N -6.25 2.74 0.46 1.97 -1.94 -0.44 -4.82 119.30 111.01 1nhq s MET 412 Ca 0.55 0.78 0.07 0.00 -1.71 0.00 0.00 55.69 55.38 1nhq s MET 412 Cb -0.25 -1.98 -0.02 0.00 2.01 0.00 0.00 34.83 34.60 1nhq s MET 412 CO 0.68 -1.20 0.29 0.95 -0.01 0.00 0.00 175.02 175.74 1nhq s THR 413 N -3.13 2.16 0.40 2.05 -4.23 -1.26 -1.12 115.64 110.51 1nhq s THR 413 Ca 0.59 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.61 1nhq s THR 413 Cb -0.13 -2.72 0.28 0.00 1.34 0.00 0.00 72.50 71.27 1nhq s THR 413 CO 0.54 0.00 2.03 0.16 -0.54 0.00 0.00 174.62 176.82 1nhq h ILE 414 N 1.12 1.08 -0.22 2.99 3.07 -1.69 -2.18 117.51 121.67 1nhq h ILE 414 Ca -0.41 -0.21 -0.13 0.00 1.55 0.00 0.00 64.86 65.67 1nhq h ILE 414 Cb 1.27 0.42 -0.01 0.00 -0.27 0.00 0.00 36.82 38.23 1nhq h ILE 414 CO 0.63 0.11 -0.40 -0.08 -1.05 0.00 0.00 178.15 177.36 1nhq h GLU 415 N 0.61 0.52 -0.70 0.16 4.81 -1.88 -0.63 114.58 117.47 1nhq h GLU 415 Ca 0.19 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1nhq h GLU 415 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1nhq h GLU 415 CO -0.05 0.84 0.42 -0.44 -0.73 0.00 0.00 179.01 179.05 1nhq h ASP 416 N 0.43 0.85 0.92 1.04 3.32 -1.80 -2.85 116.42 118.33 1nhq h ASP 416 Ca 0.04 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 1nhq h ASP 416 Cb 0.89 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1nhq h ASP 416 CO 0.08 0.67 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.46 1nhq h LEU 417 N 0.96 0.00 -1.23 1.55 3.38 -1.22 -2.26 115.31 116.50 1nhq h LEU 417 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1nhq h LEU 417 Cb -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1nhq h LEU 417 CO -0.05 0.74 0.46 0.00 0.09 0.00 0.00 178.44 179.68 1nhq h ALA 418 N 1.26 1.43 -0.26 1.53 0.00 -0.88 -3.00 119.26 119.34 1nhq h ALA 418 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nhq h ALA 418 Cb 1.39 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1nhq h ALA 418 CO 0.10 0.51 0.00 0.66 0.00 0.00 0.00 179.25 180.52 1nhq n TYR 419 N -4.40 0.79 -2.32 0.00 4.01 -1.14 -4.79 117.16 109.30 1nhq n TYR 419 Ca 0.08 -0.81 -0.39 0.00 -0.16 0.00 0.00 57.90 56.62 1nhq n TYR 419 Cb 0.05 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 1nhq n TYR 419 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nhq s ALA 420 N -2.47 3.25 -0.76 -0.72 0.00 -0.85 -4.92 121.76 115.28 1nhq s ALA 420 Ca 0.37 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1nhq s ALA 420 Cb 0.29 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1nhq s ALA 420 CO 0.10 -0.45 1.52 0.34 0.00 0.00 0.00 175.76 177.27 1nhq s ASP 421 N -1.01 5.88 -0.03 0.00 2.15 -1.26 -4.97 116.67 117.42 1nhq s ASP 421 Ca 0.53 -0.41 0.03 0.00 0.43 0.00 0.00 52.55 53.14 1nhq s ASP 421 Cb -0.32 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.72 1nhq s ASP 421 CO 0.40 -2.02 -0.12 -0.36 -0.17 0.00 0.00 175.17 172.91 1nhq s PHE 422 N 6.92 2.76 0.69 -5.34 0.08 -1.26 -5.10 117.98 116.72 1nhq s PHE 422 Ca 0.49 -0.12 -0.14 0.00 0.12 0.00 0.00 56.93 57.28 1nhq s PHE 422 Cb -0.08 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1nhq s PHE 422 CO 0.11 0.26 1.11 -0.59 -0.10 0.00 0.00 175.22 176.01 1nhq s PHE 423 N -0.82 2.58 -0.05 0.36 -0.71 -1.26 -4.91 117.98 113.18 1nhq s PHE 423 Ca 0.13 1.56 0.04 0.00 -1.04 0.00 0.00 56.93 57.62 1nhq s PHE 423 Cb -0.11 -3.15 -0.00 0.00 -1.21 0.00 0.00 43.02 38.55 1nhq s PHE 423 CO 0.03 -1.75 -0.16 0.12 -1.34 0.00 0.00 175.22 172.11 1nhq s PHE 424 N -2.45 1.63 -0.24 3.49 5.36 -1.26 -4.91 117.98 119.60 1nhq s PHE 424 Ca 0.66 -0.49 -0.12 0.00 -0.96 0.00 0.00 56.93 56.02 1nhq s PHE 424 Cb -0.20 -1.11 0.08 0.00 -0.34 0.00 0.00 43.02 41.45 1nhq s PHE 424 CO 0.45 -0.18 0.58 -1.14 -1.46 0.00 0.00 175.22 173.47 1nhq s GLN 425 N 0.13 0.56 0.00 10.12 -0.44 -1.26 -5.06 119.66 123.70 1nhq s GLN 425 Ca -0.05 1.13 0.09 0.00 -2.50 0.00 0.00 55.36 54.02 1nhq s GLN 425 Cb -0.12 0.24 0.42 0.00 -1.64 0.00 0.00 33.01 31.91 1nhq s GLN 425 CO 0.02 -0.17 1.25 -0.35 0.50 0.00 0.00 175.29 176.54 1nhq n PRO 426 N 4.61 0.05 0.09 1.67 -0.04 -1.26 -0.71 135.00 139.41 1nhq n PRO 426 Ca -0.18 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1nhq n PRO 426 Cb 0.55 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.86 1nhq n PRO 426 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nhq n ALA 427 N -1.42 2.45 -0.04 0.55 0.00 -1.26 -4.39 120.51 116.41 1nhq n ALA 427 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1nhq n ALA 427 Cb 0.09 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 1nhq n ALA 427 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nhq n PHE 428 N -2.21 0.00 -3.39 0.00 3.01 0.11 -5.10 117.46 109.87 1nhq n PHE 428 Ca 0.05 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.51 1nhq n PHE 428 Cb 0.43 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1nhq n PHE 428 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1nhq n ASP 429 N -2.48 -0.11 -4.94 4.37 5.75 -0.93 -4.92 116.55 113.29 1nhq n ASP 429 Ca -0.15 -1.06 -0.20 0.00 -0.01 0.00 0.00 54.79 53.37 1nhq n ASP 429 Cb 0.74 0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.99 1nhq n ASP 429 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1nhq s LYS 430 N -2.00 3.01 0.46 0.11 1.02 -1.23 -4.17 119.74 116.94 1nhq s LYS 430 Ca 0.01 -1.09 0.15 0.00 0.02 0.00 0.00 55.97 55.06 1nhq s LYS 430 Cb -0.00 -2.71 1.11 0.00 -0.52 0.00 0.00 37.83 35.70 1nhq s LYS 430 CO 0.00 0.10 2.04 -1.35 -0.92 0.00 0.00 175.35 175.23 1nhq h PRO 431 N 1.03 0.27 -4.89 -1.68 0.11 -1.96 -3.25 132.00 121.63 1nhq h PRO 431 Ca -0.46 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 64.97 1nhq h PRO 431 Cb 1.25 -0.06 -0.28 0.00 0.11 0.00 0.00 31.00 32.02 1nhq h PRO 431 CO 0.55 0.18 -0.68 -1.58 -0.21 0.00 0.00 178.00 176.26 1nhq s TRP 432 N -5.28 3.08 0.67 0.65 0.52 -1.26 -4.87 118.94 112.45 1nhq s TRP 432 Ca -0.07 -1.12 -0.11 0.00 0.02 0.00 0.00 56.10 54.82 1nhq s TRP 432 Cb 0.19 -2.16 0.16 0.00 -1.15 0.00 0.00 33.47 30.50 1nhq s TRP 432 CO 0.72 -0.61 0.81 0.27 0.02 0.00 0.00 176.95 178.17 1nhq n ASN 433 N 4.79 -0.40 -0.12 2.95 6.94 -1.23 -4.55 115.26 123.64 1nhq n ASN 433 Ca -0.16 -1.21 0.08 0.00 -0.02 0.00 0.00 54.58 53.28 1nhq n ASN 433 Cb 0.48 -0.65 0.42 0.00 -2.36 0.00 0.00 39.78 37.67 1nhq n ASN 433 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1nhq h ILE 434 N -1.70 0.97 -0.00 1.53 2.10 -1.93 -0.31 117.51 118.17 1nhq h ILE 434 Ca -0.27 -0.20 -0.06 0.00 1.08 0.00 0.00 64.86 65.41 1nhq h ILE 434 Cb 0.77 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1nhq h ILE 434 CO 0.19 0.11 -0.22 0.40 -1.08 0.00 0.00 178.15 177.55 1nhq h ILE 435 N 0.59 1.56 -0.42 2.19 2.04 -1.95 -3.02 117.51 118.50 1nhq h ILE 435 Ca 0.28 -1.94 0.07 0.00 1.00 0.00 0.00 64.86 64.27 1nhq h ILE 435 Cb 0.35 2.78 -0.06 0.00 -0.74 0.00 0.00 36.82 39.15 1nhq h ILE 435 CO -0.09 0.53 0.08 0.78 0.00 0.00 0.00 178.15 179.45 1nhq h ASN 436 N -0.54 -0.00 -0.30 1.72 -0.26 -1.63 -2.27 115.58 112.29 1nhq h ASN 436 Ca -0.03 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1nhq h ASN 436 Cb 0.98 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.32 1nhq h ASN 436 CO 0.04 0.03 0.18 0.74 -1.06 0.00 0.00 177.43 177.37 1nhq h THR 437 N 0.21 1.04 -0.35 2.81 2.02 -1.13 -0.01 112.91 117.50 1nhq h THR 437 Ca 0.20 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 1nhq h THR 437 Cb 0.25 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1nhq h THR 437 CO -0.27 0.07 -0.22 0.00 0.37 0.00 0.00 175.52 175.47 1nhq h ALA 438 N 1.13 0.95 -0.17 6.16 0.00 -1.43 -1.96 119.26 123.94 1nhq h ALA 438 Ca 0.12 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1nhq h ALA 438 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nhq h ALA 438 CO -0.05 0.61 -0.38 0.00 0.00 0.00 0.00 179.25 179.42 1nhq h ALA 439 N 1.15 1.02 -0.75 0.00 0.00 -1.08 -1.88 119.26 117.73 1nhq h ALA 439 Ca 0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1nhq h ALA 439 Cb 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1nhq h ALA 439 CO 0.05 0.60 0.24 1.25 0.00 0.00 0.00 179.25 181.40 1nhq h LEU 440 N 0.32 1.08 -0.72 0.00 5.85 -0.73 -0.49 115.31 120.62 1nhq h LEU 440 Ca 0.03 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1nhq h LEU 440 Cb 0.82 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1nhq h LEU 440 CO 0.07 0.99 0.39 -0.33 -0.34 0.00 0.00 178.44 179.22 1nhq h GLU 441 N 1.11 1.01 -0.64 1.25 4.39 -1.09 -2.08 114.58 118.53 1nhq h GLU 441 Ca 0.24 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1nhq h GLU 441 Cb 0.29 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1nhq h GLU 441 CO -0.01 0.76 0.09 0.00 -1.16 0.00 0.00 179.01 178.69 1nhq h ALA 442 N 1.20 0.85 -0.41 3.43 0.00 -0.80 -1.38 119.26 122.14 1nhq h ALA 442 Ca 0.25 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1nhq h ALA 442 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1nhq h ALA 442 CO -0.04 0.62 0.21 0.28 0.00 0.00 0.00 179.25 180.32 1nhq h VAL 443 N 0.97 0.99 -0.67 0.00 2.07 -0.89 -1.70 116.25 117.02 1nhq h VAL 443 Ca 0.19 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1nhq h VAL 443 Cb 0.45 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1nhq h VAL 443 CO 0.02 0.08 0.43 0.11 0.02 0.00 0.00 177.57 178.23 1nhq h LYS 444 N 0.43 0.85 0.00 1.57 1.57 -1.14 -2.10 116.57 117.75 1nhq h LYS 444 Ca 0.17 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1nhq h LYS 444 Cb 0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1nhq h LYS 444 CO -0.11 0.56 -0.01 0.37 -0.57 0.00 0.00 179.45 179.69 1nhq h GLN 445 N 0.87 0.00 -0.49 3.15 4.15 -0.40 -2.60 115.11 119.79 1nhq h GLN 445 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1nhq h GLN 445 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1nhq h GLN 445 CO -0.07 0.01 0.00 0.39 -1.93 0.00 0.00 178.83 177.23 1nhq n GLU 446 N -3.20 2.74 0.00 1.69 -0.58 -0.75 -5.09 120.64 115.45 1nhq n GLU 446 Ca -0.02 -2.27 0.14 0.00 -0.42 0.00 0.00 57.16 54.58 1nhq n GLU 446 Cb 0.12 -1.39 0.47 0.00 -0.57 0.00 0.00 31.44 30.07 1nhq n GLU 446 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52