#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxd n THR 5 N 0.00 0.00 -0.15 3.41 -2.24 -1.26 -3.35 114.28 110.69 1hxd n THR 5 Ca 0.00 0.73 0.03 0.00 -2.27 0.00 0.00 64.05 62.54 1hxd n THR 5 Cb 0.00 -1.52 0.08 0.00 -2.10 0.00 0.00 70.33 66.78 1hxd n THR 5 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1hxd n VAL 6 N -0.32 -0.18 0.08 2.28 0.31 -1.26 0.20 118.33 119.45 1hxd n VAL 6 Ca 0.00 0.96 -0.15 0.00 -0.01 0.00 0.00 64.34 65.14 1hxd n VAL 6 Cb 0.00 -1.34 -0.08 0.00 -0.91 0.00 0.00 33.84 31.51 1hxd n VAL 6 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1hxd h PRO 7 N 0.00 -0.63 -0.66 5.55 0.11 -1.90 1.13 132.00 135.60 1hxd h PRO 7 Ca 0.22 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.56 1hxd h PRO 7 Cb 0.36 0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1hxd h PRO 7 CO -0.43 -0.42 0.49 -0.07 -0.21 0.00 0.00 178.00 177.36 1hxd h LEU 8 N -0.65 0.00 0.04 2.35 3.38 0.24 0.23 115.31 120.89 1hxd h LEU 8 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1hxd h LEU 8 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1hxd h LEU 8 CO -0.30 0.00 -0.60 0.11 0.09 0.00 0.00 178.44 177.74 1hxd h LYS 9 N 0.00 0.33 0.00 1.13 1.57 0.18 -2.18 116.57 117.60 1hxd h LYS 9 Ca 0.31 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1hxd h LYS 9 Cb 1.29 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1hxd h LYS 9 CO -0.00 1.12 0.00 1.28 -0.57 0.00 0.00 179.45 181.27 1hxd n LEU 10 N -4.24 0.00 -0.31 2.94 4.77 0.36 -0.80 117.00 119.72 1hxd n LEU 10 Ca -0.11 0.89 0.30 0.00 -0.03 0.00 0.00 56.01 57.06 1hxd n LEU 10 Cb 0.69 -0.39 0.55 0.00 -2.33 0.00 0.00 43.42 41.93 1hxd n LEU 10 CO 0.46 -0.39 0.98 0.00 -1.33 0.00 0.00 177.39 177.11 1hxd n ILE 11 N -1.95 -0.36 0.24 -0.08 0.13 0.53 0.42 119.36 118.29 1hxd n ILE 11 Ca 0.00 1.81 0.08 0.00 -1.10 0.00 0.00 62.75 63.54 1hxd n ILE 11 Cb 0.00 -2.95 0.60 0.00 -0.84 0.00 0.00 39.64 36.45 1hxd n ILE 11 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1hxd h ALA 12 N 1.76 1.66 0.00 1.51 0.00 -0.49 -1.29 119.26 122.41 1hxd h ALA 12 Ca 0.77 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.50 1hxd h ALA 12 Cb 2.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1hxd h ALA 12 CO -0.66 0.16 -2.01 1.47 0.00 0.00 0.00 179.25 178.21 1hxd n LEU 13 N -4.20 0.00 0.19 0.00 -0.00 1.43 -4.00 117.00 110.42 1hxd n LEU 13 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.12 1hxd n LEU 13 Cb 0.21 0.10 0.43 0.00 -0.00 0.00 0.00 43.42 44.15 1hxd n LEU 13 CO 0.34 0.10 0.89 -0.07 -0.00 0.00 0.00 177.39 178.64 1hxd h LEU 14 N 0.00 0.00 -1.61 1.47 3.38 -0.71 -3.30 115.31 114.53 1hxd h LEU 14 Ca -0.10 0.00 0.46 0.00 0.09 0.00 0.00 57.88 58.33 1hxd h LEU 14 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1hxd h LEU 14 CO 0.01 0.00 1.34 0.00 0.09 0.00 0.00 178.44 179.88 1hxd h ALA 15 N 2.17 3.51 0.00 1.53 0.00 -1.38 0.14 119.26 125.24 1hxd h ALA 15 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1hxd h ALA 15 Cb 0.69 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1hxd h ALA 15 CO 0.00 -2.16 -0.03 -2.95 0.00 0.00 0.00 179.25 174.11 1hxd h ASN 16 N 0.00 0.00 0.00 0.00 -1.07 -1.86 -2.85 115.58 109.80 1hxd h ASN 16 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.13 1hxd h ASN 16 Cb 3.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 39.68 1hxd h ASN 16 CO -0.01 0.03 0.00 0.61 0.07 0.00 0.00 177.43 178.13 1hxd n GLY 17 N -0.22 0.74 3.97 9.14 0.00 0.49 -4.74 105.19 114.57 1hxd n GLY 17 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1hxd n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hxd s GLU 18 N -0.52 1.96 0.24 1.61 2.02 -1.26 -4.34 118.70 118.41 1hxd s GLU 18 Ca 0.00 -0.75 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 1hxd s GLU 18 Cb 0.00 -2.29 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1hxd s GLU 18 CO 0.00 -1.28 0.90 0.12 0.02 0.00 0.00 175.26 175.02 1hxd s PHE 19 N -3.13 3.89 -0.04 1.61 2.19 -1.26 -4.34 117.98 116.90 1hxd s PHE 19 Ca 0.63 1.81 -0.01 0.00 0.33 0.00 0.00 56.93 59.68 1hxd s PHE 19 Cb -0.08 -2.91 0.03 0.00 -1.31 0.00 0.00 43.02 38.76 1hxd s PHE 19 CO 0.43 0.41 0.07 -1.01 1.83 0.00 0.00 175.22 176.96 1hxd s HIS 20 N -1.29 -0.04 0.37 10.12 3.76 -0.94 -4.99 115.29 122.29 1hxd s HIS 20 Ca 0.42 0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 55.43 1hxd s HIS 20 Cb -0.23 -0.20 -0.09 0.00 1.11 0.00 0.00 32.58 33.17 1hxd s HIS 20 CO 0.28 -0.12 0.81 -1.54 -0.85 0.00 0.00 174.74 173.32 1hxd s SER 21 N 1.19 6.79 0.11 1.40 1.04 -1.26 0.95 113.70 123.92 1hxd s SER 21 Ca -0.08 1.40 0.12 0.00 0.48 0.00 0.00 55.95 57.87 1hxd s SER 21 Cb -0.12 -2.43 0.57 0.00 0.10 0.00 0.00 66.02 64.14 1hxd s SER 21 CO -0.04 -0.29 1.37 0.61 0.98 0.00 0.00 173.24 175.87 1hxd n GLY 22 N -0.58 -0.82 0.12 7.32 0.00 0.33 -1.80 105.19 109.75 1hxd n GLY 22 Ca 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1hxd n GLY 22 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hxd h GLU 23 N 0.00 -0.24 0.08 1.61 4.39 -1.91 -1.04 114.58 117.47 1hxd h GLU 23 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1hxd h GLU 23 Cb 0.12 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1hxd h GLU 23 CO 0.00 -0.16 -0.08 -0.56 -1.16 0.00 0.00 179.01 177.05 1hxd h GLN 24 N -0.63 -0.17 -0.80 2.33 3.07 -1.75 -3.01 115.11 114.15 1hxd h GLN 24 Ca -0.03 0.01 0.19 0.00 0.09 0.00 0.00 58.65 58.92 1hxd h GLN 24 Cb 0.19 0.04 -0.12 0.00 0.08 0.00 0.00 27.48 27.66 1hxd h GLN 24 CO 0.04 -0.11 0.19 -0.07 0.09 0.00 0.00 178.83 178.97 1hxd h LEU 25 N -0.17 -0.02 -0.84 0.06 3.38 -1.46 -1.84 115.31 114.40 1hxd h LEU 25 Ca 0.00 0.17 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1hxd h LEU 25 Cb 0.17 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1hxd h LEU 25 CO -0.02 -0.09 -0.58 1.23 0.09 0.00 0.00 178.44 179.07 1hxd h GLY 26 N 0.24 0.00 0.44 0.83 0.00 -1.05 0.02 103.07 103.54 1hxd h GLY 26 Ca 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1hxd h GLY 26 CO -0.58 0.00 -0.08 1.05 0.00 0.00 0.00 176.54 176.92 1hxd h GLU 27 N 0.00 0.09 -0.46 4.80 4.11 -1.27 4.25 114.58 126.11 1hxd h GLU 27 Ca -0.01 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.43 1hxd h GLU 27 Cb 1.02 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1hxd h GLU 27 CO 0.08 0.72 0.06 1.15 0.07 0.00 0.00 179.01 181.08 1hxd h THR 28 N -0.51 0.72 0.00 -1.06 2.02 -1.43 0.25 112.91 112.89 1hxd h THR 28 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1hxd h THR 28 Cb 0.73 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1hxd h THR 28 CO 0.02 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.12 1hxd n LEU 29 N -5.14 0.12 -3.33 2.58 7.99 -0.01 -4.88 117.00 114.33 1hxd n LEU 29 Ca 0.04 0.51 -0.20 0.00 -0.01 0.00 0.00 56.01 56.36 1hxd n LEU 29 Cb 0.23 -0.47 0.08 0.00 -0.11 0.00 0.00 43.42 43.14 1hxd n LEU 29 CO 0.20 -0.04 0.18 0.61 -1.51 0.00 0.00 177.39 176.83 1hxd n GLY 30 N 1.40 -0.39 3.37 -0.72 0.00 0.24 -5.02 105.19 104.07 1hxd n GLY 30 Ca 0.07 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1hxd n GLY 30 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1hxd s MET 31 N -5.83 1.17 0.76 1.61 0.23 1.34 -4.96 119.30 113.61 1hxd s MET 31 Ca 0.32 -1.07 -0.12 0.00 -1.03 0.00 0.00 55.69 53.79 1hxd s MET 31 Cb -0.14 0.41 0.05 0.00 -1.53 0.00 0.00 34.83 33.62 1hxd s MET 31 CO 0.68 -0.44 1.12 -1.54 -2.03 0.00 0.00 175.02 172.80 1hxd s SER 32 N -2.93 4.38 0.47 -1.18 1.04 -1.26 -4.07 113.70 110.14 1hxd s SER 32 Ca 0.14 1.99 0.18 0.00 0.48 0.00 0.00 55.95 58.73 1hxd s SER 32 Cb 0.02 -2.54 1.13 0.00 0.10 0.00 0.00 66.02 64.73 1hxd s SER 32 CO -0.02 -2.12 2.02 0.03 0.98 0.00 0.00 173.24 174.12 1hxd h ARG 33 N -0.84 0.00 0.22 4.02 3.08 -1.94 0.25 114.38 119.17 1hxd h ARG 33 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 1hxd h ARG 33 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1hxd h ARG 33 CO 0.50 0.17 -0.11 0.00 -1.07 0.00 0.00 179.97 179.46 1hxd h ALA 34 N 1.83 -0.30 -0.10 0.04 0.00 -1.93 -1.26 119.26 117.54 1hxd h ALA 34 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1hxd h ALA 34 Cb 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1hxd h ALA 34 CO 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 179.25 178.73 1hxd h ALA 35 N 0.32 0.13 -1.13 0.00 0.00 -0.98 -2.50 119.26 115.10 1hxd h ALA 35 Ca -0.03 -0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.16 1hxd h ALA 35 Cb 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1hxd h ALA 35 CO 0.05 -0.34 0.79 0.82 0.00 0.00 0.00 179.25 180.57 1hxd h ILE 36 N 0.08 0.44 -0.08 0.00 2.04 -0.62 0.77 117.51 120.14 1hxd h ILE 36 Ca 0.04 -0.04 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 1hxd h ILE 36 Cb 0.06 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1hxd h ILE 36 CO -0.01 0.02 -0.55 -1.13 0.00 0.00 0.00 178.15 176.49 1hxd h ASN 37 N 0.12 0.26 -0.54 1.72 -1.24 -0.76 -2.60 115.58 112.55 1hxd h ASN 37 Ca 0.57 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.43 1hxd h ASN 37 Cb 2.03 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.98 1hxd h ASN 37 CO -0.10 0.76 0.28 0.50 -1.29 0.00 0.00 177.43 177.58 1hxd h LYS 38 N 0.18 0.76 -0.66 6.67 1.63 -0.92 -2.64 116.57 121.59 1hxd h LYS 38 Ca 0.00 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1hxd h LYS 38 Cb 1.02 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 1hxd h LYS 38 CO 0.08 0.60 0.42 0.45 -3.45 0.00 0.00 179.45 177.56 1hxd h HIS 39 N 0.72 0.85 -0.91 1.91 3.86 -1.50 0.42 115.15 120.50 1hxd h HIS 39 Ca 0.19 0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.66 1hxd h HIS 39 Cb 0.07 -0.28 -0.14 0.00 1.06 0.00 0.00 27.41 28.12 1hxd h HIS 39 CO -0.01 0.55 0.31 0.82 0.86 0.00 0.00 177.93 180.46 1hxd h ILE 40 N 0.90 0.31 0.42 2.45 1.08 -1.11 0.56 117.51 122.12 1hxd h ILE 40 Ca 0.24 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.61 1hxd h ILE 40 Cb -0.07 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.73 1hxd h ILE 40 CO -0.05 0.04 -0.20 0.06 -0.69 0.00 0.00 178.15 177.31 1hxd h GLN 41 N 0.24 -0.55 -1.25 2.37 3.07 -0.67 -0.80 115.11 117.52 1hxd h GLN 41 Ca 0.60 0.04 0.43 0.00 0.09 0.00 0.00 58.65 59.80 1hxd h GLN 41 Cb 1.24 0.12 -0.14 0.00 0.08 0.00 0.00 27.48 28.79 1hxd h GLN 41 CO -0.65 -0.30 0.79 1.15 0.09 0.00 0.00 178.83 179.91 1hxd h THR 42 N -0.68 0.11 0.14 1.86 2.02 -0.60 0.57 112.91 116.33 1hxd h THR 42 Ca -0.06 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1hxd h THR 42 Cb 0.49 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1hxd h THR 42 CO 0.10 0.02 -0.07 -0.07 0.37 0.00 0.00 175.52 175.87 1hxd h LEU 43 N 0.09 -0.16 -1.99 2.58 3.38 -0.49 -2.38 115.31 116.34 1hxd h LEU 43 Ca 0.82 -0.33 0.19 0.00 0.09 0.00 0.00 57.88 58.65 1hxd h LEU 43 Cb 2.47 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 43.23 1hxd h LEU 43 CO -0.48 0.28 0.51 0.03 0.09 0.00 0.00 178.44 178.87 1hxd h ARG 44 N -0.63 0.00 0.00 1.13 3.08 0.14 0.84 114.38 118.94 1hxd h ARG 44 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1hxd h ARG 44 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1hxd h ARG 44 CO 0.03 0.00 -0.24 -0.44 -1.07 0.00 0.00 179.97 178.25 1hxd h ASP 45 N 0.00 0.00 -0.65 7.04 3.32 -0.58 -3.12 116.42 122.42 1hxd h ASP 45 Ca 0.32 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.03 1hxd h ASP 45 Cb 1.34 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.69 1hxd h ASP 45 CO -0.00 0.24 0.42 0.79 -1.72 0.00 0.00 179.24 178.97 1hxd n TRP 46 N -3.33 2.01 -0.87 4.55 8.01 0.29 -4.73 117.44 123.37 1hxd n TRP 46 Ca 0.01 -1.37 0.00 0.00 -1.31 0.00 0.00 57.50 54.83 1hxd n TRP 46 Cb 0.48 -0.70 0.00 0.00 -2.01 0.00 0.00 31.31 29.08 1hxd n TRP 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1hxd n GLY 47 N -0.56 0.99 3.67 6.99 0.00 -1.18 -0.53 105.19 114.56 1hxd n GLY 47 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1hxd n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hxd s VAL 48 N -3.76 4.11 -0.57 1.61 1.01 -1.06 -4.80 120.40 116.94 1hxd s VAL 48 Ca 0.00 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 63.17 1hxd s VAL 48 Cb 0.00 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.58 1hxd s VAL 48 CO 0.00 -0.09 0.69 -0.62 0.00 0.00 0.00 175.10 175.08 1hxd s ASP 49 N 2.09 6.19 -0.08 3.32 2.15 -1.26 -3.70 116.67 125.38 1hxd s ASP 49 Ca 0.59 -1.29 -0.16 0.00 0.43 0.00 0.00 52.55 52.11 1hxd s ASP 49 Cb -0.25 -2.30 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 1hxd s ASP 49 CO 0.19 -1.06 0.42 -0.69 -0.17 0.00 0.00 175.17 173.87 1hxd s VAL 50 N 2.69 5.14 -0.29 1.11 1.01 -1.26 -3.97 120.40 124.83 1hxd s VAL 50 Ca 0.12 0.85 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 1hxd s VAL 50 Cb -0.23 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1hxd s VAL 50 CO 0.08 0.43 0.08 0.12 0.00 0.00 0.00 175.10 175.81 1hxd s PHE 51 N -0.04 3.15 0.11 5.22 5.36 -0.35 -4.98 117.98 126.44 1hxd s PHE 51 Ca 0.24 -0.94 0.02 0.00 -0.96 0.00 0.00 56.93 55.28 1hxd s PHE 51 Cb -0.15 -2.26 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1hxd s PHE 51 CO 0.11 -0.56 0.22 0.99 -1.46 0.00 0.00 175.22 174.51 1hxd s THR 52 N 1.51 5.19 -0.40 0.12 2.01 -1.26 -1.76 115.64 121.04 1hxd s THR 52 Ca 0.03 -0.61 0.10 0.00 0.31 0.00 0.00 61.69 61.51 1hxd s THR 52 Cb -0.17 -3.60 0.32 0.00 0.01 0.00 0.00 72.50 69.06 1hxd s THR 52 CO 0.03 0.02 0.69 0.52 -0.69 0.00 0.00 174.62 175.18 1hxd n VAL 53 N -0.09 0.03 0.00 3.82 0.31 -1.15 -5.03 118.33 116.22 1hxd n VAL 53 Ca -0.06 -4.52 0.00 0.00 -0.01 0.00 0.00 64.34 59.74 1hxd n VAL 53 Cb 0.53 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1hxd n VAL 53 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1hxd n PRO 54 N 0.59 0.00 -0.19 5.55 -0.02 -1.26 -1.62 135.00 138.05 1hxd n PRO 54 Ca 0.24 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.83 1hxd n PRO 54 Cb 0.59 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.34 1hxd n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hxd n GLY 55 N 0.00 1.26 0.00 -1.23 0.00 -1.26 -4.64 105.19 99.32 1hxd n GLY 55 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1hxd n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hxd n LYS 56 N 1.03 0.00 -1.17 1.61 4.76 -0.64 -4.90 118.16 118.85 1hxd n LYS 56 Ca 0.18 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1hxd n LYS 56 Cb 0.48 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 1hxd n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hxd n GLY 57 N 2.12 1.00 3.51 0.72 0.00 -1.25 -0.51 105.19 110.78 1hxd n GLY 57 Ca 0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1hxd n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hxd s TYR 58 N -3.39 2.24 0.06 1.61 1.51 0.27 -2.92 117.35 116.72 1hxd s TYR 58 Ca 0.00 -0.62 -0.20 0.00 -1.01 0.00 0.00 57.07 55.24 1hxd s TYR 58 Cb 0.00 -1.35 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 1hxd s TYR 58 CO 0.00 0.43 0.46 0.45 -1.11 0.00 0.00 175.55 175.77 1hxd s SER 59 N -3.56 -0.34 -0.18 2.29 0.15 -0.72 -2.21 113.70 109.12 1hxd s SER 59 Ca 0.32 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.96 1hxd s SER 59 Cb 0.04 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1hxd s SER 59 CO 0.15 -0.71 -0.04 -0.76 1.20 0.00 0.00 173.24 173.08 1hxd s LEU 60 N -2.10 3.10 0.24 3.45 1.43 -1.26 -1.22 118.68 122.32 1hxd s LEU 60 Ca -0.04 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1hxd s LEU 60 Cb -0.00 -1.76 0.38 0.00 0.03 0.00 0.00 46.19 44.83 1hxd s LEU 60 CO -0.04 0.10 1.62 1.55 0.23 0.00 0.00 176.35 179.81 1hxd h PRO 61 N 7.24 0.04 -6.10 1.29 0.13 -1.89 -3.41 132.00 129.31 1hxd h PRO 61 Ca -0.34 -0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.19 1hxd h PRO 61 Cb 1.18 -0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 1hxd h PRO 61 CO 0.61 0.03 -0.85 -1.21 -0.23 0.00 0.00 178.00 176.34 1hxd s GLU 62 N -6.18 1.59 -0.08 0.86 8.01 -1.26 -5.06 118.70 116.58 1hxd s GLU 62 Ca -0.14 -0.84 -0.29 0.00 0.01 0.00 0.00 54.97 53.71 1hxd s GLU 62 Cb 0.22 -1.61 -0.02 0.00 -4.31 0.00 0.00 34.13 28.41 1hxd s GLU 62 CO 0.75 0.43 0.97 -2.14 0.01 0.00 0.00 175.26 175.28 1hxd s PRO 63 N -0.79 4.45 0.20 0.39 0.02 -1.26 -4.75 135.00 133.25 1hxd s PRO 63 Ca 0.08 1.33 0.07 0.00 0.02 0.00 0.00 61.00 62.50 1hxd s PRO 63 Cb -0.08 -3.52 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 1hxd s PRO 63 CO 0.00 -0.23 0.08 0.96 -0.33 0.00 0.00 177.00 177.49 1hxd s ILE 64 N 1.69 4.08 -0.26 2.83 -0.00 -1.08 -4.99 121.20 123.46 1hxd s ILE 64 Ca 0.48 -1.38 -0.03 0.00 -0.00 0.00 0.00 60.65 59.72 1hxd s ILE 64 Cb -0.19 -3.11 0.02 0.00 -0.00 0.00 0.00 42.46 39.18 1hxd s ILE 64 CO 0.20 -0.19 -0.01 -1.58 -0.00 0.00 0.00 174.94 173.36 1hxd s GLN 65 N -3.27 2.93 0.47 0.37 -0.44 -1.26 -4.79 119.66 113.68 1hxd s GLN 65 Ca 0.30 -0.93 -0.11 0.00 -2.50 0.00 0.00 55.36 52.12 1hxd s GLN 65 Cb -0.09 -3.12 -0.06 0.00 -1.64 0.00 0.00 33.01 28.10 1hxd s GLN 65 CO 0.22 -0.41 0.85 -0.51 0.50 0.00 0.00 175.29 175.94 1hxd s LEU 66 N 1.39 3.66 0.57 3.68 1.02 -1.26 -4.96 118.68 122.78 1hxd s LEU 66 Ca 0.01 1.22 -0.21 0.00 0.02 0.00 0.00 54.13 55.18 1hxd s LEU 66 Cb -0.17 -4.16 -0.04 0.00 0.02 0.00 0.00 46.19 41.85 1hxd s LEU 66 CO -0.02 -0.54 1.32 -0.76 0.02 0.00 0.00 176.35 176.37 1hxd s LEU 67 N -4.25 3.77 -0.37 1.79 1.43 -1.26 -4.93 118.68 114.85 1hxd s LEU 67 Ca 0.53 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 56.29 1hxd s LEU 67 Cb -0.10 -4.40 0.13 0.00 0.03 0.00 0.00 46.19 41.85 1hxd s LEU 67 CO 0.37 -1.65 0.20 0.21 0.23 0.00 0.00 176.35 175.71 1hxd s ASN 68 N -1.16 3.37 0.06 2.29 3.84 -1.26 -5.01 114.94 117.08 1hxd s ASN 68 Ca 0.75 -2.20 -0.12 0.00 0.21 0.00 0.00 52.86 51.50 1hxd s ASN 68 Cb -0.38 -0.66 -0.03 0.00 -0.55 0.00 0.00 41.25 39.63 1hxd s ASN 68 CO 0.43 -0.32 0.69 0.00 -2.79 0.00 0.00 177.10 175.11 1hxd n ALA 69 N 4.07 -0.26 -0.24 1.71 0.00 -1.26 0.23 120.51 124.77 1hxd n ALA 69 Ca 0.08 0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 1hxd n ALA 69 Cb 0.37 -0.02 0.08 0.00 0.00 0.00 0.00 19.45 19.88 1hxd n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1hxd h LYS 70 N 0.00 0.77 0.06 0.00 6.56 -1.95 7.00 116.57 129.00 1hxd h LYS 70 Ca 0.06 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1hxd h LYS 70 Cb 0.16 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1hxd h LYS 70 CO -0.38 0.51 -0.03 1.96 -2.06 0.00 0.00 179.45 179.45 1hxd h GLN 71 N 0.79 -0.08 0.44 3.15 4.20 0.25 0.98 115.11 124.85 1hxd h GLN 71 Ca 0.28 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 1hxd h GLN 71 Cb 0.06 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1hxd h GLN 71 CO -0.13 -0.01 -0.21 0.82 -0.67 0.00 0.00 178.83 178.63 1hxd h ILE 72 N -0.12 0.39 -0.84 2.54 2.04 0.53 -3.03 117.51 119.02 1hxd h ILE 72 Ca -0.01 -0.54 0.13 0.00 1.00 0.00 0.00 64.86 65.44 1hxd h ILE 72 Cb 0.10 0.57 -0.14 0.00 -0.74 0.00 0.00 36.82 36.61 1hxd h ILE 72 CO 0.01 0.07 -0.39 -0.07 0.00 0.00 0.00 178.15 177.78 1hxd h LEU 73 N -0.98 -1.40 0.00 1.44 3.38 1.44 -2.99 115.31 116.20 1hxd h LEU 73 Ca -0.06 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1hxd h LEU 73 Cb 0.57 0.71 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1hxd h LEU 73 CO 0.10 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1hxd n GLY 74 N -1.44 0.00 0.00 0.83 0.00 0.34 -4.18 105.19 100.73 1hxd n GLY 74 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hxd n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hxd n GLN 75 N 0.00 2.48 0.00 1.61 3.00 -1.13 -4.43 117.38 118.91 1hxd n GLN 75 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1hxd n GLN 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1hxd n GLN 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1hxd n LEU 76 N 0.00 0.00 0.00 1.08 7.99 -1.26 -4.76 117.00 120.05 1hxd n LEU 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1hxd n LEU 76 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1hxd n LEU 76 CO 0.00 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.21 1hxd n ASP 77 N 1.69 0.00 -4.58 -1.43 2.03 -1.26 -4.72 116.55 108.28 1hxd n ASP 77 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1hxd n ASP 77 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1hxd n ASP 77 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1hxd s GLY 78 N 0.00 0.14 -0.01 0.27 0.00 -1.26 -4.94 107.32 101.53 1hxd s GLY 78 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.12 1hxd s GLY 78 CO 0.00 3.88 -0.07 -0.32 0.00 0.00 0.00 173.10 176.59 1hxd s GLY 79 N 9.65 0.34 -0.30 0.20 0.00 -1.26 -5.11 107.32 110.83 1hxd s GLY 79 Ca 0.96 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.42 1hxd s GLY 79 CO 0.31 -0.22 -0.00 -0.56 0.00 0.00 0.00 173.10 172.62 1hxd s SER 80 N -0.13 4.45 -0.01 1.64 0.01 -1.26 -5.05 113.70 113.35 1hxd s SER 80 Ca 0.02 -1.75 0.05 0.00 1.31 0.00 0.00 55.95 55.58 1hxd s SER 80 Cb -0.03 -1.45 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 1hxd s SER 80 CO -0.00 -0.31 -0.16 -0.69 0.41 0.00 0.00 173.24 172.49 1hxd s VAL 81 N 1.11 1.25 -0.16 3.43 1.01 -1.26 -1.61 120.40 124.17 1hxd s VAL 81 Ca 0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1hxd s VAL 81 Cb -0.19 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1hxd s VAL 81 CO -0.09 0.34 -0.07 0.00 0.00 0.00 0.00 175.10 175.27 1hxd s ALA 82 N -0.40 2.80 -0.40 5.51 0.00 0.97 -4.95 121.76 125.29 1hxd s ALA 82 Ca 0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1hxd s ALA 82 Cb -0.06 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.69 1hxd s ALA 82 CO -0.00 0.05 0.20 0.08 0.00 0.00 0.00 175.76 176.08 1hxd s VAL 83 N 0.67 3.54 0.18 0.00 1.01 -1.26 -0.86 120.40 123.68 1hxd s VAL 83 Ca -0.04 -1.79 0.02 0.00 0.00 0.00 0.00 61.98 60.17 1hxd s VAL 83 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1hxd s VAL 83 CO 0.02 -0.57 0.32 -0.76 0.00 0.00 0.00 175.10 174.11 1hxd s LEU 84 N 1.24 4.30 -0.12 3.92 1.43 0.29 -4.97 118.68 124.77 1hxd s LEU 84 Ca 0.05 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1hxd s LEU 84 Cb -0.23 -2.98 -0.12 0.00 0.03 0.00 0.00 46.19 42.90 1hxd s LEU 84 CO -0.02 0.01 -0.04 -2.65 0.23 0.00 0.00 176.35 173.88 1hxd n PRO 85 N -0.70 1.35 -3.76 1.29 -0.02 -1.26 -1.83 135.00 130.08 1hxd n PRO 85 Ca -0.07 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.32 1hxd n PRO 85 Cb 0.54 -1.28 -0.13 0.00 -0.02 0.00 0.00 33.50 32.61 1hxd n PRO 85 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hxd s VAL 86 N -2.27 -0.02 -0.23 -1.45 1.01 -1.26 -2.13 120.40 114.04 1hxd s VAL 86 Ca -0.12 0.09 -0.37 0.00 0.00 0.00 0.00 61.98 61.58 1hxd s VAL 86 Cb 0.04 -0.35 0.15 0.00 0.00 0.00 0.00 36.38 36.22 1hxd s VAL 86 CO 0.39 0.04 1.29 -0.51 0.00 0.00 0.00 175.10 176.31 1hxd s ILE 87 N 0.77 0.00 0.10 2.22 2.07 -1.16 -5.00 121.20 120.20 1hxd s ILE 87 Ca -0.05 -0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.92 1hxd s ILE 87 Cb -0.07 -1.02 -0.12 0.00 0.13 0.00 0.00 42.46 41.39 1hxd s ILE 87 CO -0.05 0.00 1.68 -2.24 -1.91 0.00 0.00 174.94 172.42 1hxd h ASP 88 N 2.00 -0.42 -2.05 4.50 2.03 -1.92 0.73 116.42 121.29 1hxd h ASP 88 Ca -0.06 0.04 0.21 0.00 -0.73 0.00 0.00 57.03 56.49 1hxd h ASP 88 Cb 1.15 0.15 -0.34 0.00 -0.83 0.00 0.00 39.33 39.46 1hxd h ASP 88 CO 0.21 -0.24 0.84 -0.55 -1.03 0.00 0.00 179.24 178.47 1hxd s SER 89 N -4.90 -0.03 0.60 4.15 0.15 -1.26 0.85 113.70 113.26 1hxd s SER 89 Ca -0.15 0.05 0.29 0.00 0.70 0.00 0.00 55.95 56.85 1hxd s SER 89 Cb 0.07 0.57 1.64 0.00 -1.71 0.00 0.00 66.02 66.58 1hxd s SER 89 CO 0.65 -0.01 2.05 0.71 1.20 0.00 0.00 173.24 177.84 1hxd h THR 90 N 4.09 0.40 0.09 6.45 1.35 -1.94 -1.55 112.91 121.80 1hxd h THR 90 Ca -0.27 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.44 1hxd h THR 90 Cb 1.17 0.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1hxd h THR 90 CO 0.21 0.00 -0.75 0.78 -0.25 0.00 0.00 175.52 175.52 1hxd h ASN 91 N 0.00 0.29 0.11 5.36 4.21 -1.93 -3.28 115.58 120.34 1hxd h ASN 91 Ca 0.11 -0.91 0.01 0.00 1.21 0.00 0.00 56.30 56.72 1hxd h ASN 91 Cb 0.64 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 1hxd h ASN 91 CO -0.00 1.34 -0.16 -0.61 -1.29 0.00 0.00 177.43 176.70 1hxd h GLN 92 N -0.58 -0.32 -0.95 0.81 5.75 -1.73 0.35 115.11 118.44 1hxd h GLN 92 Ca -0.15 0.02 0.27 0.00 -0.15 0.00 0.00 58.65 58.64 1hxd h GLN 92 Cb 1.47 0.07 -0.17 0.00 1.07 0.00 0.00 27.48 29.92 1hxd h GLN 92 CO 0.06 -0.21 0.09 -0.92 -2.65 0.00 0.00 178.83 175.20 1hxd h TYR 93 N -0.33 0.07 0.23 3.99 3.20 -1.47 0.80 116.97 123.46 1hxd h TYR 93 Ca 0.02 0.06 -0.34 0.00 3.14 0.00 0.00 58.73 61.61 1hxd h TYR 93 Cb 0.34 0.12 0.03 0.00 1.54 0.00 0.00 36.73 38.76 1hxd h TYR 93 CO -0.16 -0.39 -1.56 -0.07 -1.64 0.00 0.00 178.16 174.35 1hxd h LEU 94 N 0.05 0.75 -0.46 2.82 3.38 -1.30 -3.21 115.31 117.34 1hxd h LEU 94 Ca 0.59 -0.89 0.07 0.00 0.09 0.00 0.00 57.88 57.75 1hxd h LEU 94 Cb 1.24 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1hxd h LEU 94 CO -0.85 1.71 0.12 -0.07 0.09 0.00 0.00 178.44 179.44 1hxd h LEU 95 N 0.13 0.06 0.00 1.67 3.38 0.93 0.25 115.31 121.74 1hxd h LEU 95 Ca -0.28 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1hxd h LEU 95 Cb 2.14 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.98 1hxd h LEU 95 CO 0.24 0.06 0.03 0.47 0.09 0.00 0.00 178.44 179.34 1hxd n ASP 96 N -5.07 0.00 -1.20 -0.43 8.00 0.27 -3.01 116.55 115.10 1hxd n ASP 96 Ca 0.04 0.23 0.01 0.00 0.71 0.00 0.00 54.79 55.78 1hxd n ASP 96 Cb 0.21 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 1hxd n ASP 96 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1hxd n ARG 97 N -1.20 0.00 -0.56 -1.24 1.74 0.83 -4.97 116.66 111.27 1hxd n ARG 97 Ca 0.00 -1.53 0.45 0.00 -0.77 0.00 0.00 57.85 56.00 1hxd n ARG 97 Cb 0.03 0.06 0.73 0.00 -1.02 0.00 0.00 32.46 32.26 1hxd n ARG 97 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1hxd h ILE 98 N 6.41 0.01 -0.50 0.55 1.08 -1.29 -1.56 117.51 122.21 1hxd h ILE 98 Ca -0.27 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1hxd h ILE 98 Cb 1.67 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1hxd h ILE 98 CO -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.06 1hxd n GLY 99 N -1.66 1.36 0.30 5.37 0.00 -1.26 -3.32 105.19 105.99 1hxd n GLY 99 Ca 0.42 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1hxd n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hxd n GLU 100 N 0.98 1.66 -3.99 1.61 1.02 -0.59 -5.00 120.64 116.34 1hxd n GLU 100 Ca 0.17 -1.41 -0.22 0.00 -0.02 0.00 0.00 57.16 55.68 1hxd n GLU 100 Cb 0.43 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 1hxd n GLU 100 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hxd s LEU 101 N -0.80 4.22 0.01 -4.62 1.43 -1.21 -5.12 118.68 112.61 1hxd s LEU 101 Ca 0.10 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.13 1hxd s LEU 101 Cb 0.06 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1hxd s LEU 101 CO 0.08 -0.05 0.19 -0.54 0.23 0.00 0.00 176.35 176.26 1hxd s LYS 102 N -3.85 0.60 -0.45 1.70 -0.14 -1.26 -5.04 119.74 111.29 1hxd s LYS 102 Ca 0.34 -0.46 -0.44 0.00 -1.36 0.00 0.00 55.97 54.05 1hxd s LYS 102 Cb -0.09 0.25 -0.18 0.00 -1.68 0.00 0.00 37.83 36.13 1hxd s LYS 102 CO 0.28 -0.16 1.91 0.43 -0.76 0.00 0.00 175.35 177.05 1hxd n SER 103 N 1.11 1.27 0.00 2.83 7.64 -1.26 -1.45 113.62 123.76 1hxd n SER 103 Ca -0.21 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1hxd n SER 103 Cb 0.57 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1hxd n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hxd n GLY 104 N 5.77 0.01 3.65 0.23 0.00 0.57 -4.94 105.19 110.47 1hxd n GLY 104 Ca 0.42 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.99 1hxd n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hxd n ASP 105 N 0.00 2.26 -3.59 1.61 8.00 -0.53 -4.74 116.55 119.57 1hxd n ASP 105 Ca 0.00 1.16 -0.19 0.00 0.71 0.00 0.00 54.79 56.47 1hxd n ASP 105 Cb 0.00 -1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 39.63 1hxd n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hxd s ALA 106 N -0.51 1.93 -0.19 2.24 0.00 -0.63 -1.86 121.76 122.72 1hxd s ALA 106 Ca 0.64 -1.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 1hxd s ALA 106 Cb -0.67 1.36 0.13 0.00 0.00 0.00 0.00 23.12 23.94 1hxd s ALA 106 CO 0.55 -0.61 1.03 0.00 0.00 0.00 0.00 175.76 176.73 1hxd s ILE 108 N -0.79 0.93 0.21 0.00 -4.36 -0.04 -1.96 121.20 115.20 1hxd s ILE 108 Ca -0.00 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 59.35 1hxd s ILE 108 Cb -0.02 -0.89 -0.05 0.00 1.25 0.00 0.00 42.46 42.75 1hxd s ILE 108 CO -0.01 -0.16 -0.04 0.00 0.24 0.00 0.00 174.94 174.97 1hxd s ALA 109 N -1.08 1.76 -0.20 2.27 0.00 -1.19 0.11 121.76 123.42 1hxd s ALA 109 Ca -0.02 -1.70 0.19 0.00 0.00 0.00 0.00 51.96 50.43 1hxd s ALA 109 Cb -0.09 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1hxd s ALA 109 CO 0.01 -0.19 1.08 0.93 0.00 0.00 0.00 175.76 177.59 1hxd h GLU 110 N 2.54 0.00 -1.59 0.00 4.39 -0.98 -3.41 114.58 115.53 1hxd h GLU 110 Ca -0.38 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.39 1hxd h GLU 110 Cb 1.22 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.60 1hxd h GLU 110 CO 0.64 0.17 0.45 -0.47 -1.16 0.00 0.00 179.01 178.65 1hxd s TYR 111 N -3.13 -0.48 -0.14 4.33 5.04 -0.91 0.79 117.35 122.85 1hxd s TYR 111 Ca 0.00 1.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.80 1hxd s TYR 111 Cb 0.08 0.37 0.01 0.00 0.35 0.00 0.00 41.96 42.77 1hxd s TYR 111 CO 0.78 -0.23 -0.20 -0.65 -1.34 0.00 0.00 175.55 173.91 1hxd s GLN 112 N 0.35 3.09 0.21 4.97 -0.21 -0.66 -3.01 119.66 124.39 1hxd s GLN 112 Ca 0.02 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 54.62 1hxd s GLN 112 Cb -0.05 -2.48 0.14 0.00 1.00 0.00 0.00 33.01 31.62 1hxd s GLN 112 CO -0.07 0.02 1.48 1.96 -2.12 0.00 0.00 175.29 176.56 1hxd h GLN 113 N 7.25 0.18 -1.32 2.91 4.20 0.48 -3.35 115.11 125.46 1hxd h GLN 113 Ca -0.31 -0.16 -0.51 0.00 0.06 0.00 0.00 58.65 57.73 1hxd h GLN 113 Cb 1.20 0.04 -0.41 0.00 0.30 0.00 0.00 27.48 28.60 1hxd h GLN 113 CO 0.55 0.83 -0.89 0.00 -0.67 0.00 0.00 178.83 178.65 1hxd n ALA 114 N -2.46 4.50 -1.73 3.87 0.00 0.25 -4.99 120.51 119.95 1hxd n ALA 114 Ca -0.03 -3.91 -0.42 0.00 0.00 0.00 0.00 53.44 49.09 1hxd n ALA 114 Cb 0.70 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1hxd n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hxd n GLY 115 N -0.35 1.21 3.05 0.00 0.00 -1.18 -4.65 105.19 103.28 1hxd n GLY 115 Ca 0.29 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.61 1hxd n GLY 115 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hxd s ARG 116 N -0.65 0.56 0.00 1.61 1.70 -1.26 0.50 118.95 121.42 1hxd s ARG 116 Ca 0.64 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 55.28 1hxd s ARG 116 Cb -0.52 -0.43 0.00 0.00 -0.57 0.00 0.00 34.95 33.43 1hxd s ARG 116 CO 0.50 0.10 0.00 0.41 -1.08 0.00 0.00 175.30 175.23 1hxd n GLY 117 N 1.90 3.90 3.76 3.88 0.00 0.44 -4.67 105.19 114.41 1hxd n GLY 117 Ca -0.19 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.38 1hxd n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxd s ARG 118 N -0.93 2.28 -1.30 1.61 0.52 -1.26 -3.92 118.95 115.95 1hxd s ARG 118 Ca 0.00 1.22 -0.25 0.00 -0.52 0.00 0.00 55.73 56.17 1hxd s ARG 118 Cb 0.00 -1.90 0.04 0.00 0.52 0.00 0.00 34.95 33.61 1hxd s ARG 118 CO 0.00 -1.63 0.48 0.54 0.02 0.00 0.00 175.30 174.70 1hxd n ARG 119 N -3.40 -0.41 -4.26 3.54 1.74 -1.26 -2.24 116.66 110.37 1hxd n ARG 119 Ca 0.09 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.93 1hxd n ARG 119 Cb 0.53 -2.71 -0.08 0.00 -1.02 0.00 0.00 32.46 29.17 1hxd n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hxd n GLY 120 N -2.24 -0.15 3.71 -0.13 0.00 -1.26 -4.97 105.19 100.15 1hxd n GLY 120 Ca -0.17 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1hxd n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxd s ARG 121 N -7.23 2.85 0.06 1.61 0.52 -0.95 -4.95 118.95 110.86 1hxd s ARG 121 Ca 0.03 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1hxd s ARG 121 Cb -0.02 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 1hxd s ARG 121 CO 0.98 0.63 1.02 0.21 0.02 0.00 0.00 175.30 178.16 1hxd s LYS 122 N -1.57 4.58 -0.01 3.54 2.36 -1.26 0.17 119.74 127.54 1hxd s LYS 122 Ca 0.20 1.51 -0.18 0.00 -2.55 0.00 0.00 55.97 54.95 1hxd s LYS 122 Cb -0.12 -3.40 -0.33 0.00 -1.05 0.00 0.00 37.83 32.93 1hxd s LYS 122 CO 0.11 -0.00 0.92 2.35 1.55 0.00 0.00 175.35 180.28 1hxd h TRP 123 N 6.32 0.76 -3.11 4.03 2.91 -0.22 -3.44 115.95 123.21 1hxd h TRP 123 Ca -0.42 -0.56 0.00 0.00 1.13 0.00 0.00 58.89 59.04 1hxd h TRP 123 Cb 1.22 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 1hxd h TRP 123 CO 0.66 1.46 -0.08 0.34 -1.03 0.00 0.00 178.44 179.79 1hxd n PHE 124 N -3.91 -0.25 -3.18 2.65 7.35 -1.26 -4.95 117.46 113.92 1hxd n PHE 124 Ca -0.16 0.14 -0.22 0.00 -0.76 0.00 0.00 57.45 56.45 1hxd n PHE 124 Cb 0.97 -1.64 -0.05 0.00 0.35 0.00 0.00 39.48 39.11 1hxd n PHE 124 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1hxd n SER 125 N 0.08 1.32 -4.78 -2.13 7.64 -1.26 -5.06 113.62 109.43 1hxd n SER 125 Ca -0.02 -3.03 -0.41 0.00 1.01 0.00 0.00 58.87 56.43 1hxd n SER 125 Cb 0.03 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1hxd n SER 125 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1hxd s PRO 126 N -2.17 4.02 -0.48 1.43 0.04 -1.26 -1.66 135.00 134.91 1hxd s PRO 126 Ca 0.40 2.52 -0.45 0.00 0.04 0.00 0.00 61.00 63.51 1hxd s PRO 126 Cb 0.27 -2.89 -0.19 0.00 0.04 0.00 0.00 34.50 31.72 1hxd s PRO 126 CO -0.09 -0.59 1.91 0.34 0.04 0.00 0.00 177.00 178.61 1hxd n PHE 127 N 0.31 1.45 -1.85 0.56 -0.00 0.32 -2.50 117.46 115.75 1hxd n PHE 127 Ca 0.02 0.89 -0.19 0.00 -0.00 0.00 0.00 57.45 58.17 1hxd n PHE 127 Cb 0.40 -2.28 -0.06 0.00 -0.00 0.00 0.00 39.48 37.54 1hxd n PHE 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1hxd n GLY 128 N 5.94 1.03 0.09 7.13 0.00 0.24 -4.83 105.19 114.78 1hxd n GLY 128 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 1hxd n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxd n ALA 129 N 0.07 1.97 -3.00 4.61 0.00 -1.04 -4.60 120.51 118.51 1hxd n ALA 129 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1hxd n ALA 129 Cb 0.64 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1hxd n ALA 129 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hxd n ASN 130 N -2.81 0.00 -4.23 0.00 3.02 -1.26 -3.00 115.26 106.98 1hxd n ASN 130 Ca -0.12 -0.12 -0.35 0.00 -0.03 0.00 0.00 54.58 53.96 1hxd n ASN 130 Cb 0.85 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.88 1hxd n ASN 130 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1hxd s LEU 131 N 0.00 3.28 -0.33 3.41 2.96 -1.13 -5.00 118.68 121.87 1hxd s LEU 131 Ca 0.00 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1hxd s LEU 131 Cb 0.00 -1.71 0.08 0.00 0.50 0.00 0.00 46.19 45.06 1hxd s LEU 131 CO 0.00 -0.13 0.04 -0.31 -1.32 0.00 0.00 176.35 174.63 1hxd s TYR 132 N 1.37 3.47 0.02 5.38 2.02 -1.26 -1.10 117.35 127.25 1hxd s TYR 132 Ca 0.01 -2.39 -0.02 0.00 -0.37 0.00 0.00 57.07 54.30 1hxd s TYR 132 Cb -0.17 -2.55 -0.01 0.00 -0.40 0.00 0.00 41.96 38.83 1hxd s TYR 132 CO -0.03 -0.90 0.02 -1.17 -1.57 0.00 0.00 175.55 171.90 1hxd s LEU 133 N 1.10 2.04 -0.00 -1.29 2.96 -0.55 -3.18 118.68 119.76 1hxd s LEU 133 Ca 0.01 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 1hxd s LEU 133 Cb -0.20 0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.78 1hxd s LEU 133 CO -0.04 -0.35 0.12 -0.44 -1.32 0.00 0.00 176.35 174.32 1hxd s SER 134 N -1.56 0.02 -0.03 3.68 0.01 -0.83 -0.32 113.70 114.67 1hxd s SER 134 Ca -0.14 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 1hxd s SER 134 Cb -0.08 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.39 1hxd s SER 134 CO -0.01 -0.32 0.05 -0.32 0.41 0.00 0.00 173.24 173.05 1hxd s MET 135 N -1.17 -0.03 0.10 12.44 1.75 0.50 -1.71 119.30 131.19 1hxd s MET 135 Ca -0.13 0.22 -0.24 0.00 -1.25 0.00 0.00 55.69 54.29 1hxd s MET 135 Cb -0.07 -0.25 -0.07 0.00 2.84 0.00 0.00 34.83 37.28 1hxd s MET 135 CO 0.01 -0.18 0.74 0.12 -0.65 0.00 0.00 175.02 175.06 1hxd s PHE 136 N 1.15 3.83 -0.13 4.11 5.36 -0.78 -1.01 117.98 130.50 1hxd s PHE 136 Ca -0.08 1.51 -0.15 0.00 -0.96 0.00 0.00 56.93 57.25 1hxd s PHE 136 Cb -0.13 -2.74 0.04 0.00 -0.34 0.00 0.00 43.02 39.85 1hxd s PHE 136 CO -0.03 0.44 0.41 -0.46 -1.46 0.00 0.00 175.22 174.11 1hxd s TRP 137 N -0.73 -0.43 -0.07 10.12 -0.11 0.68 0.21 118.94 128.61 1hxd s TRP 137 Ca 0.36 1.00 0.05 0.00 1.22 0.00 0.00 56.10 58.72 1hxd s TRP 137 Cb -0.22 0.16 -0.01 0.00 -1.50 0.00 0.00 33.47 31.90 1hxd s TRP 137 CO 0.24 -0.26 -0.22 0.50 -4.62 0.00 0.00 176.95 172.59 1hxd s ARG 138 N -0.03 2.75 -0.13 5.86 3.52 -1.26 0.12 118.95 129.77 1hxd s ARG 138 Ca -0.02 -0.84 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1hxd s ARG 138 Cb -0.03 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 31.06 1hxd s ARG 138 CO 0.01 0.36 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.23 1hxd s LEU 139 N -0.08 2.76 0.01 -0.88 1.43 -0.14 -4.97 118.68 116.81 1hxd s LEU 139 Ca -0.05 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 1hxd s LEU 139 Cb -0.14 -1.62 -0.14 0.00 0.03 0.00 0.00 46.19 44.31 1hxd s LEU 139 CO 0.04 0.17 1.04 -0.08 0.23 0.00 0.00 176.35 177.76 1hxd h GLU 140 N 6.66 -0.87 -0.79 1.70 4.57 -1.94 -1.10 114.58 122.81 1hxd h GLU 140 Ca -0.27 0.06 0.23 0.00 -1.18 0.00 0.00 59.36 58.20 1hxd h GLU 140 Cb 1.21 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.97 1hxd h GLU 140 CO 0.56 -0.58 0.69 1.96 -1.18 0.00 0.00 179.01 180.47 1hxd h GLN 141 N -1.24 0.00 0.00 1.92 7.50 -1.90 -3.22 115.11 118.17 1hxd h GLN 141 Ca -0.09 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.06 1hxd h GLN 141 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.22 1hxd h GLN 141 CO 0.15 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.89 1hxd n GLY 142 N -1.63 -0.06 0.61 3.46 0.00 -1.19 -4.38 105.19 102.01 1hxd n GLY 142 Ca 0.16 -2.04 0.39 0.00 0.00 0.00 0.00 46.02 44.53 1hxd n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hxd h PRO 143 N 0.00 0.00 -6.35 1.61 0.10 -1.80 -3.38 132.00 122.19 1hxd h PRO 143 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 66.00 65.56 1hxd h PRO 143 Cb 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 31.00 31.04 1hxd h PRO 143 CO 0.00 0.00 1.13 0.00 0.10 0.00 0.00 178.00 179.23 1hxd s ALA 144 N -4.62 2.73 0.00 -0.75 0.00 -1.26 -4.53 121.76 113.32 1hxd s ALA 144 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1hxd s ALA 144 Cb 0.20 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1hxd s ALA 144 CO 0.65 -3.09 0.00 0.00 0.00 0.00 0.00 175.76 173.33 1hxd n ALA 145 N 9.95 0.00 0.00 0.00 0.00 -1.26 -4.81 120.51 124.39 1hxd n ALA 145 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1hxd n ALA 145 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1hxd n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hxd n ALA 146 N -0.59 0.00 -0.93 0.00 0.00 -1.26 -4.47 120.51 113.26 1hxd n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hxd n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hxd n ALA 146 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1hxd n ILE 147 N 0.00 0.00 0.17 0.00 0.13 -1.26 0.29 119.36 118.69 1hxd n ILE 147 Ca 0.00 0.96 0.10 0.00 -1.10 0.00 0.00 62.75 62.71 1hxd n ILE 147 Cb 0.00 -1.44 0.54 0.00 -0.84 0.00 0.00 39.64 37.90 1hxd n ILE 147 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1hxd n GLY 148 N -0.98 -0.80 0.20 4.50 0.00 -1.26 -1.11 105.19 105.74 1hxd n GLY 148 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1hxd n GLY 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hxd h LEU 149 N 0.00 -0.40 -0.86 0.99 6.46 0.41 0.22 115.31 122.13 1hxd h LEU 149 Ca 0.00 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1hxd h LEU 149 Cb 0.16 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 1hxd h LEU 149 CO 0.00 -0.26 0.57 0.28 -0.62 0.00 0.00 178.44 178.40 1hxd h SER 150 N -0.42 1.00 -0.64 1.25 0.02 0.17 -0.69 113.55 114.25 1hxd h SER 150 Ca -0.03 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1hxd h SER 150 Cb 0.34 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1hxd h SER 150 CO 0.04 0.73 0.31 -0.07 -1.14 0.00 0.00 176.83 176.70 1hxd h LEU 151 N 1.17 0.42 -0.04 5.07 3.38 -1.27 0.41 115.31 124.46 1hxd h LEU 151 Ca 0.32 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.37 1hxd h LEU 151 Cb -0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1hxd h LEU 151 CO -0.07 0.26 -0.25 0.58 0.09 0.00 0.00 178.44 179.06 1hxd h VAL 152 N 0.56 0.43 0.09 1.22 2.07 0.56 0.47 116.25 121.66 1hxd h VAL 152 Ca 0.30 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.84 1hxd h VAL 152 Cb 0.27 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1hxd h VAL 152 CO -0.23 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.52 1hxd h ILE 153 N -0.36 0.46 -0.29 4.57 5.03 -0.50 -0.80 117.51 125.61 1hxd h ILE 153 Ca 0.07 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.83 1hxd h ILE 153 Cb 0.46 0.46 -0.02 0.00 -3.03 0.00 0.00 36.82 34.69 1hxd h ILE 153 CO -0.25 0.00 0.14 1.23 -0.68 0.00 0.00 178.15 178.59 1hxd h GLY 154 N -0.43 0.38 -0.28 5.37 0.00 -0.56 -1.10 103.07 106.46 1hxd h GLY 154 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.32 1hxd h GLY 154 CO -0.15 0.08 -0.50 -2.22 0.00 0.00 0.00 176.54 173.74 1hxd h ILE 155 N 0.29 0.05 -0.18 2.60 2.04 0.25 0.16 117.51 122.72 1hxd h ILE 155 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1hxd h ILE 155 Cb 0.04 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.10 1hxd h ILE 155 CO -0.09 0.00 -0.34 0.58 0.00 0.00 0.00 178.15 178.31 1hxd h VAL 156 N -0.42 0.26 -1.00 1.67 2.07 -0.90 -0.71 116.25 117.21 1hxd h VAL 156 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 1hxd h VAL 156 Cb 0.62 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1hxd h VAL 156 CO -0.54 0.00 0.63 0.24 0.02 0.00 0.00 177.57 177.92 1hxd h MET 157 N -0.38 0.99 -0.73 1.57 2.86 -0.49 0.22 114.93 118.97 1hxd h MET 157 Ca 0.11 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1hxd h MET 157 Cb 0.55 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1hxd h MET 157 CO -0.40 0.66 0.42 0.00 1.06 0.00 0.00 176.91 178.65 1hxd h ALA 158 N 1.53 0.93 -0.55 6.32 0.00 0.50 -1.10 119.26 126.89 1hxd h ALA 158 Ca 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1hxd h ALA 158 Cb 0.43 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1hxd h ALA 158 CO -0.24 0.42 0.27 0.93 0.00 0.00 0.00 179.25 180.63 1hxd h GLU 159 N 1.00 0.79 -0.71 0.00 5.08 0.69 0.28 114.58 121.71 1hxd h GLU 159 Ca 0.26 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1hxd h GLU 159 Cb -0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1hxd h GLU 159 CO -0.05 0.64 0.27 0.28 -1.00 0.00 0.00 179.01 179.15 1hxd h VAL 160 N 0.74 1.25 0.61 3.13 2.07 -0.44 -0.26 116.25 123.35 1hxd h VAL 160 Ca 0.19 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1hxd h VAL 160 Cb 0.11 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1hxd h VAL 160 CO -0.02 0.32 -0.29 -0.07 0.02 0.00 0.00 177.57 177.52 1hxd h LEU 161 N 1.02 -0.69 -1.08 2.57 3.38 -0.69 -2.07 115.31 117.75 1hxd h LEU 161 Ca 0.23 -0.02 0.33 0.00 0.09 0.00 0.00 57.88 58.51 1hxd h LEU 161 Cb 0.23 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.02 1hxd h LEU 161 CO -0.02 -0.40 0.61 0.03 0.09 0.00 0.00 178.44 178.76 1hxd h ARG 162 N -0.98 0.31 0.00 1.13 3.08 -0.10 0.27 114.38 118.09 1hxd h ARG 162 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1hxd h ARG 162 Cb 0.67 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1hxd h ARG 162 CO 0.14 0.20 -0.15 0.36 -1.07 0.00 0.00 179.97 179.45 1hxd n LYS 163 N -4.97 0.18 0.02 0.04 2.85 -0.13 -3.46 118.16 112.69 1hxd n LYS 163 Ca 0.32 0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.81 1hxd n LYS 163 Cb 1.01 -1.69 -0.05 0.00 -0.65 0.00 0.00 35.03 33.66 1hxd n LYS 163 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1hxd n LEU 164 N -1.99 0.55 0.00 -5.58 4.77 0.90 -5.00 117.00 110.65 1hxd n LEU 164 Ca 0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1hxd n LEU 164 Cb 0.40 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1hxd n LEU 164 CO 0.31 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1hxd n GLY 165 N 1.36 -1.49 0.79 -0.72 0.00 -0.90 -5.03 105.19 99.20 1hxd n GLY 165 Ca 0.01 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 1hxd n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxd n ALA 166 N 0.00 0.17 1.16 4.61 0.00 -1.24 -4.69 120.51 120.52 1hxd n ALA 166 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.33 1hxd n ALA 166 Cb 0.00 -0.24 0.64 0.00 0.00 0.00 0.00 19.45 19.84 1hxd n ALA 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1hxd n ASP 167 N 1.20 0.00 -0.26 0.00 3.85 -1.26 -2.42 116.55 117.66 1hxd n ASP 167 Ca 0.04 0.05 0.04 0.00 -0.71 0.00 0.00 54.79 54.21 1hxd n ASP 167 Cb 0.10 -0.34 0.09 0.00 -1.35 0.00 0.00 41.12 39.63 1hxd n ASP 167 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1hxd n LYS 168 N -1.34 2.67 -2.10 0.11 5.02 -1.26 -4.91 118.16 116.36 1hxd n LYS 168 Ca 0.11 -1.96 -0.41 0.00 -2.02 0.00 0.00 58.31 54.03 1hxd n LYS 168 Cb 0.23 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1hxd n LYS 168 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hxd s VAL 169 N -1.49 2.80 0.33 -0.18 1.01 -1.25 -4.80 120.40 116.81 1hxd s VAL 169 Ca 0.16 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1hxd s VAL 169 Cb 0.11 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1hxd s VAL 169 CO 0.05 0.13 0.08 -0.13 0.00 0.00 0.00 175.10 175.24 1hxd s ARG 170 N -0.84 1.67 -0.02 2.72 0.52 0.45 -4.93 118.95 118.52 1hxd s ARG 170 Ca 0.55 -1.94 0.03 0.00 -0.52 0.00 0.00 55.73 53.84 1hxd s ARG 170 Cb -0.40 -0.71 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 1hxd s ARG 170 CO 0.46 -0.26 -0.08 0.14 0.02 0.00 0.00 175.30 175.57 1hxd s VAL 171 N -3.36 3.57 -0.21 3.52 -7.23 -0.02 0.47 120.40 117.14 1hxd s VAL 171 Ca 0.34 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.76 1hxd s VAL 171 Cb 0.07 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1hxd s VAL 171 CO 0.15 0.47 0.01 -0.75 -0.31 0.00 0.00 175.10 174.67 1hxd s LYS 172 N -1.18 3.61 -0.22 4.82 2.20 -0.61 0.54 119.74 128.90 1hxd s LYS 172 Ca 0.15 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 1hxd s LYS 172 Cb -0.11 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1hxd s LYS 172 CO 0.05 -0.03 1.30 -0.46 -0.36 0.00 0.00 175.35 175.85 1hxd s TRP 173 N 1.12 2.73 -1.20 4.03 -0.00 -1.26 -1.78 118.94 122.58 1hxd s TRP 173 Ca 0.03 0.92 0.10 0.00 -0.00 0.00 0.00 56.10 57.15 1hxd s TRP 173 Cb -0.14 -3.70 0.06 0.00 -0.00 0.00 0.00 33.47 29.69 1hxd s TRP 173 CO 0.02 -1.79 0.78 -0.35 -0.00 0.00 0.00 176.95 175.61 1hxd n PRO 174 N 6.96 0.86 -2.78 5.86 -0.04 -1.26 -4.60 135.00 140.00 1hxd n PRO 174 Ca 0.15 -0.99 -0.01 0.00 -0.04 0.00 0.00 63.50 62.60 1hxd n PRO 174 Cb 0.46 -1.17 0.07 0.00 -0.04 0.00 0.00 33.50 32.81 1hxd n PRO 174 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1hxd n ASN 175 N 0.38 0.85 -3.54 3.54 4.13 -0.73 -4.52 115.26 115.37 1hxd n ASN 175 Ca 0.06 -2.14 -0.11 0.00 1.68 0.00 0.00 54.58 54.06 1hxd n ASN 175 Cb 0.25 -0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 1hxd n ASN 175 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1hxd s ASP 176 N -3.13 -0.40 -0.01 6.41 1.01 -1.22 -2.31 116.67 117.01 1hxd s ASP 176 Ca 0.23 -0.18 -0.02 0.00 0.71 0.00 0.00 52.55 53.30 1hxd s ASP 176 Cb 0.36 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.80 1hxd s ASP 176 CO -0.05 -0.93 0.13 -0.76 0.21 0.00 0.00 175.17 173.78 1hxd s LEU 177 N -2.78 4.15 0.13 1.23 1.43 -0.57 -1.58 118.68 120.69 1hxd s LEU 177 Ca 0.02 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1hxd s LEU 177 Cb 0.00 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1hxd s LEU 177 CO -0.12 0.27 -0.20 -0.31 0.23 0.00 0.00 176.35 176.22 1hxd s TYR 178 N -1.26 1.86 -0.25 0.29 1.51 0.18 0.20 117.35 119.89 1hxd s TYR 178 Ca 0.25 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 55.75 1hxd s TYR 178 Cb -0.12 -0.98 0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1hxd s TYR 178 CO 0.16 0.28 0.59 -1.17 -1.11 0.00 0.00 175.55 174.30 1hxd s LEU 179 N -2.25 -0.71 -1.04 -1.29 2.96 -0.55 -0.41 118.68 115.39 1hxd s LEU 179 Ca 0.11 1.32 -0.04 0.00 -0.22 0.00 0.00 54.13 55.30 1hxd s LEU 179 Cb -0.08 2.02 0.03 0.00 0.50 0.00 0.00 46.19 48.66 1hxd s LEU 179 CO 0.06 -0.22 0.22 0.00 -1.32 0.00 0.00 176.35 175.08 1hxd n GLN 180 N 4.49 -2.82 -2.00 1.98 6.02 -1.26 0.11 117.38 123.90 1hxd n GLN 180 Ca -0.19 0.47 -0.19 0.00 -0.01 0.00 0.00 57.00 57.08 1hxd n GLN 180 Cb 0.56 -5.11 -0.04 0.00 1.02 0.00 0.00 30.24 26.68 1hxd n GLN 180 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1hxd n ASP 181 N -1.99 -5.36 -4.53 1.08 8.00 -1.26 -4.99 116.55 107.50 1hxd n ASP 181 Ca -0.07 0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.38 1hxd n ASP 181 Cb 0.57 -4.46 -0.09 0.00 -0.02 0.00 0.00 41.12 37.11 1hxd n ASP 181 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hxd s ARG 182 N -4.34 1.90 -0.06 -1.24 0.52 0.30 -4.97 118.95 111.06 1hxd s ARG 182 Ca 0.00 -1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 53.36 1hxd s ARG 182 Cb 0.00 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 1hxd s ARG 182 CO 0.00 0.37 1.22 0.21 0.02 0.00 0.00 175.30 177.12 1hxd s LYS 183 N -3.34 4.33 -0.23 3.54 2.20 -0.22 -1.49 119.74 124.54 1hxd s LYS 183 Ca 0.28 1.70 0.05 0.00 -0.36 0.00 0.00 55.97 57.64 1hxd s LYS 183 Cb -0.06 -3.58 -0.17 0.00 -1.51 0.00 0.00 37.83 32.51 1hxd s LYS 183 CO 0.16 -0.48 -0.15 -0.11 -0.36 0.00 0.00 175.35 174.41 1hxd n LEU 184 N 5.34 2.30 -4.11 5.43 7.94 0.13 -1.10 117.00 132.94 1hxd n LEU 184 Ca 0.11 -0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.80 1hxd n LEU 184 Cb 0.46 -0.54 -0.11 0.00 0.53 0.00 0.00 43.42 43.76 1hxd n LEU 184 CO 0.56 0.80 -0.39 0.00 -1.11 0.00 0.00 177.39 177.24 1hxd s ALA 185 N -2.47 0.73 -0.01 1.96 0.00 -1.17 -1.34 121.76 119.46 1hxd s ALA 185 Ca -0.27 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1hxd s ALA 185 Cb 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1hxd s ALA 185 CO 0.60 -0.12 -0.16 0.20 0.00 0.00 0.00 175.76 176.28 1hxd s GLY 186 N -2.21 0.78 -0.08 0.00 0.00 0.31 -1.51 107.32 104.61 1hxd s GLY 186 Ca -0.01 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1hxd s GLY 186 CO -0.02 -0.58 -0.17 -0.42 0.00 0.00 0.00 173.10 171.91 1hxd s ILE 187 N -0.40 1.50 -0.23 0.90 1.01 -0.98 -0.23 121.20 122.77 1hxd s ILE 187 Ca 0.06 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1hxd s ILE 187 Cb -0.06 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.13 1hxd s ILE 187 CO -0.00 0.44 -0.06 -0.22 0.00 0.00 0.00 174.94 175.09 1hxd s LEU 188 N 0.57 2.62 -0.18 2.97 2.96 0.24 -4.85 118.68 123.00 1hxd s LEU 188 Ca -0.16 -1.18 -0.09 0.00 -0.22 0.00 0.00 54.13 52.49 1hxd s LEU 188 Cb -0.17 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 1hxd s LEU 188 CO 0.05 -0.23 0.10 -0.69 -1.32 0.00 0.00 176.35 174.27 1hxd s VAL 189 N 1.37 5.16 -0.07 1.68 1.01 -1.26 0.14 120.40 128.44 1hxd s VAL 189 Ca -0.06 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1hxd s VAL 189 Cb -0.19 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1hxd s VAL 189 CO -0.06 0.47 -0.13 -1.61 0.00 0.00 0.00 175.10 173.77 1hxd s GLU 190 N 0.19 1.77 0.12 2.72 2.02 0.18 -5.00 118.70 120.71 1hxd s GLU 190 Ca 0.07 -0.45 0.10 0.00 0.02 0.00 0.00 54.97 54.72 1hxd s GLU 190 Cb -0.12 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 1hxd s GLU 190 CO -0.01 0.05 -0.26 -0.48 0.02 0.00 0.00 175.26 174.58 1hxd s LEU 191 N 0.61 2.32 0.01 1.80 2.34 -1.26 -1.32 118.68 123.18 1hxd s LEU 191 Ca -0.14 -0.74 0.07 0.00 0.06 0.00 0.00 54.13 53.38 1hxd s LEU 191 Cb -0.16 -1.14 -0.02 0.00 -0.56 0.00 0.00 46.19 44.31 1hxd s LEU 191 CO 0.04 0.15 -0.22 -0.89 -1.06 0.00 0.00 176.35 174.37 1hxd s THR 192 N -1.09 1.74 0.34 5.48 2.01 -1.05 -5.00 115.64 118.07 1hxd s THR 192 Ca 0.12 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 1hxd s THR 192 Cb -0.10 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.96 1hxd s THR 192 CO 0.06 0.39 0.61 -0.83 -0.69 0.00 0.00 174.62 174.16 1hxd s GLY 193 N -0.77 0.79 0.08 4.40 0.00 -1.26 -0.72 107.32 109.84 1hxd s GLY 193 Ca 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 1hxd s GLY 193 CO 0.00 -0.61 0.02 0.54 0.00 0.00 0.00 173.10 173.05 1hxd s LYS 194 N -3.01 0.75 -0.21 2.90 1.02 -1.25 -5.05 119.74 114.89 1hxd s LYS 194 Ca 0.22 -1.29 -0.24 0.00 0.02 0.00 0.00 55.97 54.68 1hxd s LYS 194 Cb -0.03 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1hxd s LYS 194 CO 0.14 -0.18 0.81 0.99 -0.92 0.00 0.00 175.35 176.19 1hxd s THR 195 N -3.97 4.87 -0.42 2.17 2.01 -1.26 -3.83 115.64 115.22 1hxd s THR 195 Ca 0.14 1.56 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 1hxd s THR 195 Cb 0.08 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1hxd s THR 195 CO -0.05 -0.02 0.38 0.61 -0.69 0.00 0.00 174.62 174.85 1hxd n GLY 196 N 3.65 -0.56 0.00 4.40 0.00 -1.26 -5.06 105.19 106.36 1hxd n GLY 196 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1hxd n GLY 196 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hxd n ASP 197 N -1.70 0.00 -4.46 1.61 10.43 -1.25 -5.10 116.55 116.08 1hxd n ASP 197 Ca -0.01 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.95 1hxd n ASP 197 Cb 0.52 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.50 1hxd n ASP 197 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1hxd n ALA 198 N -0.52 -1.29 -2.66 2.24 0.00 -1.22 -3.91 120.51 113.15 1hxd n ALA 198 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1hxd n ALA 198 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 1hxd n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hxd s ALA 199 N -1.58 3.48 -0.28 0.00 0.00 -0.42 -4.17 121.76 118.80 1hxd s ALA 199 Ca 0.65 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 1hxd s ALA 199 Cb -0.53 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1hxd s ALA 199 CO 0.57 0.06 0.09 -0.65 0.00 0.00 0.00 175.76 175.83 1hxd s GLN 200 N 0.34 3.36 -0.15 0.00 -0.21 0.10 -0.96 119.66 122.15 1hxd s GLN 200 Ca 0.28 -0.68 -0.04 0.00 0.02 0.00 0.00 55.36 54.94 1hxd s GLN 200 Cb -0.16 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.44 1hxd s GLN 200 CO 0.13 -0.33 -0.01 0.42 -2.12 0.00 0.00 175.29 173.38 1hxd s ILE 201 N 1.57 4.17 -0.17 1.08 1.09 0.32 -2.54 121.20 126.72 1hxd s ILE 201 Ca 0.05 -0.26 -0.00 0.00 -1.10 0.00 0.00 60.65 59.33 1hxd s ILE 201 Cb -0.16 -2.83 0.01 0.00 -1.06 0.00 0.00 42.46 38.41 1hxd s ILE 201 CO 0.03 0.50 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.53 1hxd s VAL 202 N 0.20 2.53 -0.17 2.92 1.01 -0.43 -0.23 120.40 126.22 1hxd s VAL 202 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1hxd s VAL 202 Cb -0.13 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1hxd s VAL 202 CO 0.02 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 1hxd s ILE 203 N 1.11 2.59 -0.09 2.22 1.01 -0.18 0.50 121.20 128.36 1hxd s ILE 203 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1hxd s ILE 203 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1hxd s ILE 203 CO -0.05 0.51 -0.16 -0.83 0.00 0.00 0.00 174.94 174.40 1hxd s GLY 204 N 1.02 1.48 -0.05 6.18 0.00 0.12 -0.37 107.32 115.70 1hxd s GLY 204 Ca -0.01 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1hxd s GLY 204 CO -0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 173.10 172.52 1hxd s ALA 205 N -0.02 1.16 -0.13 3.20 0.00 0.56 0.80 121.76 127.32 1hxd s ALA 205 Ca -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1hxd s ALA 205 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1hxd s ALA 205 CO 0.04 0.12 -0.21 0.20 0.00 0.00 0.00 175.76 175.92 1hxd s GLY 206 N 0.55 1.38 -0.12 0.00 0.00 0.67 -1.48 107.32 108.32 1hxd s GLY 206 Ca -0.11 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1hxd s GLY 206 CO 0.03 -0.09 -0.11 -0.42 0.00 0.00 0.00 173.10 172.51 1hxd s ILE 207 N 0.70 1.27 -0.72 0.90 1.01 -0.26 0.11 121.20 124.21 1hxd s ILE 207 Ca -0.09 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 59.84 1hxd s ILE 207 Cb -0.16 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1hxd s ILE 207 CO 0.01 0.41 1.76 0.20 0.00 0.00 0.00 174.94 177.31 1hxd s ASN 208 N 1.48 5.46 0.00 3.58 0.01 -0.45 -2.82 114.94 122.21 1hxd s ASN 208 Ca 0.02 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1hxd s ASN 208 Cb -0.13 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1hxd s ASN 208 CO -0.08 -2.32 0.00 0.23 -1.51 0.00 0.00 177.10 173.43 1hxd n MET 209 N 9.13 0.00 -1.28 -0.60 2.81 -1.26 -0.42 117.12 125.51 1hxd n MET 209 Ca 0.23 0.15 -0.31 0.00 -1.81 0.00 0.00 57.70 55.96 1hxd n MET 209 Cb 0.50 -0.55 0.09 0.00 -0.71 0.00 0.00 33.22 32.56 1hxd n MET 209 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hxd s ALA 210 N -3.58 2.19 0.15 3.04 0.00 -1.16 -1.14 121.76 121.26 1hxd s ALA 210 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 1hxd s ALA 210 Cb 0.00 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 1hxd s ALA 210 CO 0.00 -1.81 1.25 1.41 0.00 0.00 0.00 175.76 176.61 1hxd s MET 211 N -4.92 4.43 0.00 0.00 1.75 -1.26 -4.76 119.30 114.54 1hxd s MET 211 Ca 0.61 1.91 0.00 0.00 -1.25 0.00 0.00 55.69 56.97 1hxd s MET 211 Cb -0.17 -3.26 0.00 0.00 2.84 0.00 0.00 34.83 34.24 1hxd s MET 211 CO 0.56 -0.21 0.00 0.94 -0.65 0.00 0.00 175.02 175.66 1hxd n GLN 221 N 3.09 0.00 0.00 4.11 7.27 -1.26 -5.10 117.38 125.49 1hxd n GLN 221 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1hxd n GLN 221 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 1hxd n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hxd n GLY 222 N 0.00 2.88 3.87 1.69 0.00 -1.26 -5.06 105.19 107.31 1hxd n GLY 222 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1hxd n GLY 222 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1hxd s TRP 223 N -2.59 3.26 0.06 1.61 0.52 -1.26 -1.06 118.94 119.48 1hxd s TRP 223 Ca 0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.05 1hxd s TRP 223 Cb 0.00 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 1hxd s TRP 223 CO 0.00 0.50 0.07 -1.50 0.02 0.00 0.00 176.95 176.04 1hxd s ILE 224 N -1.95 0.18 0.19 2.03 2.07 -0.26 -4.74 121.20 118.73 1hxd s ILE 224 Ca 0.33 -1.46 0.07 0.00 -1.41 0.00 0.00 60.65 58.19 1hxd s ILE 224 Cb -0.09 -1.33 -0.05 0.00 0.13 0.00 0.00 42.46 41.13 1hxd s ILE 224 CO 0.26 -0.80 -0.14 0.42 -1.91 0.00 0.00 174.94 172.77 1hxd s THR 225 N -3.63 1.67 0.21 4.00 -4.23 -1.26 -4.30 115.64 108.10 1hxd s THR 225 Ca 0.04 -2.16 -0.09 0.00 -1.18 0.00 0.00 61.69 58.30 1hxd s THR 225 Cb 0.05 -1.99 0.16 0.00 1.34 0.00 0.00 72.50 72.06 1hxd s THR 225 CO -0.09 -0.59 1.83 -0.07 -0.54 0.00 0.00 174.62 175.16 1hxd h LEU 226 N 2.66 0.98 -1.23 4.79 3.38 -0.41 -3.07 115.31 122.42 1hxd h LEU 226 Ca -0.38 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1hxd h LEU 226 Cb 1.22 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1hxd h LEU 226 CO 0.61 0.80 0.53 -0.61 0.09 0.00 0.00 178.44 179.85 1hxd h GLN 227 N 1.09 1.02 0.00 1.13 4.15 -1.02 0.96 115.11 122.44 1hxd h GLN 227 Ca 0.28 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 1hxd h GLN 227 Cb 0.03 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1hxd h GLN 227 CO -0.04 0.67 -0.38 0.93 -1.93 0.00 0.00 178.83 178.08 1hxd h GLU 228 N 1.05 0.00 -0.32 1.69 5.08 -1.80 -2.03 114.58 118.25 1hxd h GLU 228 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1hxd h GLU 228 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1hxd h GLU 228 CO -0.07 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 1hxd n ALA 229 N -2.43 2.47 -2.97 3.43 0.00 -1.09 -4.93 120.51 114.99 1hxd n ALA 229 Ca -0.02 -0.70 -0.17 0.00 0.00 0.00 0.00 53.44 52.56 1hxd n ALA 229 Cb 0.43 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.91 1hxd n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hxd n GLY 230 N 1.22 -0.20 3.59 0.00 0.00 -0.76 -5.04 105.19 104.00 1hxd n GLY 230 Ca 0.16 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1hxd n GLY 230 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxd s ILE 231 N -3.08 4.72 -0.56 -0.61 1.01 0.33 -4.93 121.20 118.07 1hxd s ILE 231 Ca 0.29 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.93 1hxd s ILE 231 Cb -0.13 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.34 1hxd s ILE 231 CO 0.36 0.42 0.35 0.20 0.00 0.00 0.00 174.94 176.27 1hxd s ASN 232 N 0.73 4.10 0.30 3.58 0.01 -1.26 -2.96 114.94 119.43 1hxd s ASN 232 Ca 0.04 -3.26 -0.12 0.00 -0.71 0.00 0.00 52.86 48.80 1hxd s ASN 232 Cb -0.13 -1.40 -0.08 0.00 0.41 0.00 0.00 41.25 40.05 1hxd s ASN 232 CO 0.02 -0.18 0.67 -0.76 -1.51 0.00 0.00 177.10 175.34 1hxd s LEU 233 N -0.57 4.07 0.12 0.60 1.43 -1.26 -5.06 118.68 118.00 1hxd s LEU 233 Ca 0.22 1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 54.13 1hxd s LEU 233 Cb -0.15 -3.92 -0.07 0.00 0.03 0.00 0.00 46.19 42.08 1hxd s LEU 233 CO -0.08 -0.18 1.23 -0.62 0.23 0.00 0.00 176.35 176.92 1hxd s ASP 234 N -2.44 7.04 0.04 2.29 2.15 -1.26 -4.95 116.67 119.53 1hxd s ASP 234 Ca 0.51 2.15 -0.28 0.00 0.43 0.00 0.00 52.55 55.36 1hxd s ASP 234 Cb -0.11 -2.59 -0.17 0.00 -0.30 0.00 0.00 42.92 39.75 1hxd s ASP 234 CO 0.21 -0.46 1.40 0.03 -0.17 0.00 0.00 175.17 176.17 1hxd h ARG 235 N 6.20 -0.64 -0.91 4.34 3.08 -1.97 -0.57 114.38 123.92 1hxd h ARG 235 Ca -0.43 0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.70 1hxd h ARG 235 Cb 1.21 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.35 1hxd h ARG 235 CO 0.80 -0.35 0.59 -0.91 -1.07 0.00 0.00 179.97 179.02 1hxd h ASN 236 N -0.84 0.97 -0.07 7.04 2.35 -1.92 0.42 115.58 123.53 1hxd h ASN 236 Ca -0.07 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1hxd h ASN 236 Cb 0.58 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1hxd h ASN 236 CO 0.11 0.67 -0.01 0.74 -1.65 0.00 0.00 177.43 177.29 1hxd h THR 237 N 1.14 1.28 -0.19 2.81 2.02 -1.96 -1.62 112.91 116.37 1hxd h THR 237 Ca 0.36 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1hxd h THR 237 Cb 0.01 1.72 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 1hxd h THR 237 CO -0.12 0.24 -0.48 0.25 0.37 0.00 0.00 175.52 175.78 1hxd h LEU 238 N -0.19 -1.52 -0.18 2.58 5.85 -0.77 0.32 115.31 121.40 1hxd h LEU 238 Ca 0.02 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1hxd h LEU 238 Cb 0.38 0.62 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1hxd h LEU 238 CO 0.01 -0.44 -0.22 0.00 -0.34 0.00 0.00 178.44 177.45 1hxd h ALA 239 N 0.00 -0.45 -0.92 1.25 0.00 -0.11 -0.14 119.26 118.90 1hxd h ALA 239 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1hxd h ALA 239 Cb 0.64 0.90 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 1hxd h ALA 239 CO -0.45 -0.56 0.56 0.00 0.00 0.00 0.00 179.25 178.80 1hxd h ALA 240 N -0.77 1.31 -0.15 0.00 0.00 -1.02 -1.19 119.26 117.43 1hxd h ALA 240 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1hxd h ALA 240 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hxd h ALA 240 CO -0.24 0.23 0.10 1.98 0.00 0.00 0.00 179.25 181.32 1hxd h MET 241 N 0.96 0.21 0.11 0.00 -1.53 0.26 -2.32 114.93 112.62 1hxd h MET 241 Ca 0.43 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.68 1hxd h MET 241 Cb 0.33 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.30 1hxd h MET 241 CO -0.22 0.16 -0.36 -0.07 0.14 0.00 0.00 176.91 176.56 1hxd h LEU 242 N 0.19 -1.06 -1.04 3.39 3.38 0.13 -0.41 115.31 119.87 1hxd h LEU 242 Ca 0.06 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1hxd h LEU 242 Cb 0.01 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1hxd h LEU 242 CO -0.01 -0.38 0.63 0.40 0.09 0.00 0.00 178.44 179.16 1hxd h ILE 243 N -0.53 0.96 0.56 1.22 5.03 -1.30 -1.11 117.51 122.34 1hxd h ILE 243 Ca -0.01 -0.35 -0.03 0.00 -0.12 0.00 0.00 64.86 64.36 1hxd h ILE 243 Cb 0.52 -0.14 0.01 0.00 -3.03 0.00 0.00 36.82 34.18 1hxd h ILE 243 CO -0.18 0.18 -0.27 -0.09 -0.68 0.00 0.00 178.15 177.12 1hxd h ARG 244 N 1.01 -0.72 0.00 2.37 2.43 -1.06 -0.59 114.38 117.82 1hxd h ARG 244 Ca 0.47 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1hxd h ARG 244 Cb 0.42 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1hxd h ARG 244 CO -0.23 -0.45 0.00 0.93 -1.51 0.00 0.00 179.97 178.71 1hxd h GLU 245 N -0.82 0.00 0.23 0.20 5.08 -0.55 -1.65 114.58 117.07 1hxd h GLU 245 Ca -0.08 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.95 1hxd h GLU 245 Cb 0.61 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.89 1hxd h GLU 245 CO 0.13 0.00 -1.44 -0.07 -1.00 0.00 0.00 179.01 176.62 1hxd h LEU 246 N 0.00 0.86 -0.30 1.33 3.38 -1.06 -0.76 115.31 118.76 1hxd h LEU 246 Ca 0.00 -0.90 0.06 0.00 0.09 0.00 0.00 57.88 57.13 1hxd h LEU 246 Cb 0.37 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1hxd h LEU 246 CO 0.00 1.70 -0.04 0.03 0.09 0.00 0.00 178.44 180.21 1hxd h ARG 247 N 0.17 0.04 -0.96 1.13 3.08 -0.58 0.50 114.38 117.76 1hxd h ARG 247 Ca -0.25 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.90 1hxd h ARG 247 Cb 2.13 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 32.10 1hxd h ARG 247 CO 0.27 0.02 0.62 0.00 -1.07 0.00 0.00 179.97 179.81 1hxd h ALA 248 N 1.28 1.55 0.00 0.04 0.00 -1.29 -0.96 119.26 119.88 1hxd h ALA 248 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1hxd h ALA 248 Cb 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1hxd h ALA 248 CO -0.28 0.25 -1.12 0.00 0.00 0.00 0.00 179.25 178.10 1hxd h ALA 249 N 1.53 0.64 0.00 0.00 0.00 -0.39 -3.13 119.26 117.91 1hxd h ALA 249 Ca 0.45 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1hxd h ALA 249 Cb 0.40 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1hxd h ALA 249 CO -0.21 0.86 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 1hxd h LEU 250 N 0.00 0.00 0.19 0.00 3.38 0.13 0.51 115.31 119.52 1hxd h LEU 250 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1hxd h LEU 250 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1hxd h LEU 250 CO 0.06 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.17 1hxd h GLU 251 N 0.00 -0.24 -1.01 1.13 5.08 -1.49 0.20 114.58 118.24 1hxd h GLU 251 Ca 0.00 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 58.71 1hxd h GLU 251 Cb 0.66 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.82 1hxd h GLU 251 CO 0.00 -0.16 0.58 1.25 -1.00 0.00 0.00 179.01 179.68 1hxd h LEU 252 N -0.62 0.50 0.61 1.33 5.85 -1.45 2.59 115.31 124.12 1hxd h LEU 252 Ca -0.03 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1hxd h LEU 252 Cb 0.19 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1hxd h LEU 252 CO 0.04 -0.15 -0.29 0.15 -0.34 0.00 0.00 178.44 177.85 1hxd h PHE 253 N 0.30 -0.76 -1.00 1.25 3.57 -0.00 0.35 116.94 120.65 1hxd h PHE 253 Ca 0.74 -0.02 0.40 0.00 3.53 0.00 0.00 57.97 62.62 1hxd h PHE 253 Cb 1.73 0.25 -0.18 0.00 2.79 0.00 0.00 35.95 40.54 1hxd h PHE 253 CO -0.01 -0.42 0.48 1.49 -2.23 0.00 0.00 178.31 177.62 1hxd h GLU 254 N -1.09 0.02 0.06 1.11 4.81 0.71 0.69 114.58 120.89 1hxd h GLU 254 Ca -0.08 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.91 1hxd h GLU 254 Cb 0.67 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1hxd h GLU 254 CO 0.14 0.01 -1.07 -0.56 -0.73 0.00 0.00 179.01 176.80 1hxd h GLN 255 N 0.02 0.18 0.00 1.92 3.07 0.21 -3.43 115.11 117.08 1hxd h GLN 255 Ca 0.81 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 59.28 1hxd h GLN 255 Cb 2.09 0.09 0.00 0.00 0.08 0.00 0.00 27.48 29.75 1hxd h GLN 255 CO -0.78 1.09 -0.02 0.39 0.09 0.00 0.00 178.83 179.60 1hxd n GLU 256 N -3.52 2.87 0.00 0.06 1.02 0.22 -5.07 120.64 116.21 1hxd n GLU 256 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1hxd n GLU 256 Cb 0.94 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 32.13 1hxd n GLU 256 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hxd n GLY 257 N 0.43 -1.65 0.23 0.62 0.00 0.22 -4.08 105.19 100.97 1hxd n GLY 257 Ca 0.00 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.70 1hxd n GLY 257 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hxd h LEU 258 N 0.00 0.00 -0.41 0.99 3.38 -1.90 -3.36 115.31 114.01 1hxd h LEU 258 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1hxd h LEU 258 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1hxd h LEU 258 CO 0.00 0.20 0.08 0.00 0.09 0.00 0.00 178.44 178.82 1hxd n ALA 259 N -2.24 0.29 0.38 1.53 0.00 -1.26 0.33 120.51 119.54 1hxd n ALA 259 Ca -0.00 0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.99 1hxd n ALA 259 Cb 0.38 -0.36 0.22 0.00 0.00 0.00 0.00 19.45 19.69 1hxd n ALA 259 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hxd h PRO 260 N 0.00 0.00 0.00 0.00 0.14 -1.87 -3.43 132.00 126.85 1hxd h PRO 260 Ca 0.29 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.43 1hxd h PRO 260 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.80 1hxd h PRO 260 CO -0.36 0.00 0.00 0.66 0.14 0.00 0.00 178.00 178.44 1hxd n TYR 261 N -2.65 0.00 0.00 1.56 4.01 1.01 -4.62 117.16 116.46 1hxd n TYR 261 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1hxd n TYR 261 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1hxd n TYR 261 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1hxd n LEU 262 N 0.00 0.00 -0.06 7.72 4.77 -1.19 -1.26 117.00 126.98 1hxd n LEU 262 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1hxd n LEU 262 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1hxd n LEU 262 CO 0.00 0.00 0.72 0.28 -1.33 0.00 0.00 177.39 177.06 1hxd h SER 263 N 0.00 0.72 0.36 -1.43 0.02 -1.88 -1.54 113.55 109.80 1hxd h SER 263 Ca 0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1hxd h SER 263 Cb 0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1hxd h SER 263 CO 0.00 0.92 -0.47 0.03 -1.14 0.00 0.00 176.83 176.17 1hxd h ARG 264 N 0.62 -0.83 -0.74 3.45 3.08 -1.44 -2.90 114.38 115.63 1hxd h ARG 264 Ca 0.09 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.35 1hxd h ARG 264 Cb 0.71 0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.81 1hxd h ARG 264 CO 0.05 -0.55 -0.13 2.35 -1.07 0.00 0.00 179.97 180.62 1hxd h TRP 265 N -0.86 -0.30 -0.81 3.04 2.91 -1.75 -2.16 115.95 116.02 1hxd h TRP 265 Ca -0.04 0.06 0.07 0.00 1.13 0.00 0.00 58.89 60.11 1hxd h TRP 265 Cb 0.77 0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 29.61 1hxd h TRP 265 CO -0.30 -0.30 0.48 1.05 -1.03 0.00 0.00 178.44 178.35 1hxd h GLU 266 N 0.02 0.83 0.00 2.65 4.11 -1.08 0.77 114.58 121.88 1hxd h GLU 266 Ca 0.37 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1hxd h GLU 266 Cb 0.59 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1hxd h GLU 266 CO -0.74 0.55 0.00 1.17 0.07 0.00 0.00 179.01 180.07 1hxd n LYS 267 N -4.69 0.10 -0.00 1.06 4.81 -0.82 -3.31 118.16 115.31 1hxd n LYS 267 Ca 0.12 0.12 0.01 0.00 -0.87 0.00 0.00 58.31 57.68 1hxd n LYS 267 Cb 0.21 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.75 1hxd n LYS 267 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1hxd n LEU 268 N -1.43 0.06 -4.67 3.14 4.77 -0.51 -5.00 117.00 113.36 1hxd n LEU 268 Ca 0.07 -0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 1hxd n LEU 268 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1hxd n LEU 268 CO 0.19 0.02 1.53 -0.62 -1.33 0.00 0.00 177.39 177.17 1hxd s ASP 269 N -1.26 6.49 0.36 -1.43 -1.08 0.26 -0.84 116.67 119.16 1hxd s ASP 269 Ca 0.00 2.60 0.16 0.00 -0.52 0.00 0.00 52.55 54.79 1hxd s ASP 269 Cb 0.01 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.59 1hxd s ASP 269 CO 0.06 -1.02 1.74 -1.13 0.52 0.00 0.00 175.17 175.35 1hxd h ASN 270 N 10.01 0.00 -0.33 -0.34 -1.24 -0.24 -3.33 115.58 120.11 1hxd h ASN 270 Ca -0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.54 1hxd h ASN 270 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1hxd h ASN 270 CO 0.94 0.43 0.00 0.49 -1.29 0.00 0.00 177.43 178.00 1hxd n PHE 271 N -3.75 0.44 -1.93 0.67 3.72 -1.26 -5.00 117.46 110.35 1hxd n PHE 271 Ca -0.01 -0.44 -0.40 0.00 -0.05 0.00 0.00 57.45 56.55 1hxd n PHE 271 Cb 0.50 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1hxd n PHE 271 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1hxd s ILE 272 N -1.00 2.34 -1.38 4.37 2.07 -1.25 -2.38 121.20 123.97 1hxd s ILE 272 Ca 0.24 0.31 -0.00 0.00 -1.41 0.00 0.00 60.65 59.78 1hxd s ILE 272 Cb 0.13 -3.19 0.00 0.00 0.13 0.00 0.00 42.46 39.53 1hxd s ILE 272 CO 0.17 0.05 0.06 0.59 -1.91 0.00 0.00 174.94 173.90 1hxd n ASN 273 N 0.12 -4.90 -4.13 4.50 3.02 0.27 -4.93 115.26 109.21 1hxd n ASN 273 Ca 0.03 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.45 1hxd n ASN 273 Cb 0.42 -3.97 -0.10 0.00 -0.61 0.00 0.00 39.78 35.52 1hxd n ASN 273 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hxd s ARG 274 N -4.90 0.75 0.10 3.52 0.52 -1.00 -4.91 118.95 113.03 1hxd s ARG 274 Ca 0.03 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 53.64 1hxd s ARG 274 Cb -0.01 0.03 -0.06 0.00 0.52 0.00 0.00 34.95 35.43 1hxd s ARG 274 CO 0.04 -0.09 1.12 -1.25 0.02 0.00 0.00 175.30 175.14 1hxd s PRO 275 N -3.90 4.52 0.00 3.54 0.04 -1.26 -1.66 135.00 136.29 1hxd s PRO 275 Ca 0.11 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1hxd s PRO 275 Cb 0.07 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1hxd s PRO 275 CO -0.06 -0.08 0.00 1.33 0.04 0.00 0.00 177.00 178.23 1hxd n VAL 276 N 3.27 0.00 -3.66 -0.36 0.24 -0.49 -1.14 118.33 116.19 1hxd n VAL 276 Ca 0.06 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.23 1hxd n VAL 276 Cb 0.47 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.71 1hxd n VAL 276 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1hxd s LYS 277 N -0.84 0.17 -0.08 7.34 2.20 -0.73 -3.36 119.74 124.44 1hxd s LYS 277 Ca 0.00 0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1hxd s LYS 277 Cb 0.00 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.28 1hxd s LYS 277 CO 0.00 -0.29 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.48 1hxd s LEU 278 N 2.44 3.26 -0.11 5.43 2.96 0.11 -1.94 118.68 130.83 1hxd s LEU 278 Ca 0.01 0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1hxd s LEU 278 Cb -0.12 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.90 1hxd s LEU 278 CO -0.09 0.35 0.21 -0.63 -1.32 0.00 0.00 176.35 174.86 1hxd s ILE 279 N -0.70 -0.33 -0.47 6.68 1.09 -0.87 0.16 121.20 126.74 1hxd s ILE 279 Ca 0.11 0.31 -0.15 0.00 -1.10 0.00 0.00 60.65 59.81 1hxd s ILE 279 Cb -0.11 -0.38 0.07 0.00 -1.06 0.00 0.00 42.46 40.98 1hxd s ILE 279 CO 0.02 0.12 0.40 -0.51 -0.10 0.00 0.00 174.94 174.87 1hxd s ILE 280 N 2.35 5.23 0.00 2.92 1.10 -0.65 -2.30 121.20 129.85 1hxd s ILE 280 Ca 0.02 -1.08 0.00 0.00 -0.51 0.00 0.00 60.65 59.08 1hxd s ILE 280 Cb -0.12 -4.13 0.00 0.00 0.15 0.00 0.00 42.46 38.36 1hxd s ILE 280 CO -0.07 -0.59 0.00 0.61 -2.11 0.00 0.00 174.94 172.78 1hxd n GLY 281 N 5.20 1.86 0.00 1.50 0.00 -1.26 -3.05 105.19 109.44 1hxd n GLY 281 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1hxd n GLY 281 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hxd n ASP 282 N 5.11 0.31 -4.59 1.61 5.75 -1.26 -5.05 116.55 118.43 1hxd n ASP 282 Ca 0.00 -1.02 -0.42 0.00 -0.01 0.00 0.00 54.79 53.34 1hxd n ASP 282 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1hxd n ASP 282 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1hxd s LYS 283 N -0.02 3.77 -0.51 0.11 2.36 -1.17 -5.03 119.74 119.24 1hxd s LYS 283 Ca 0.00 0.30 -0.23 0.00 -2.55 0.00 0.00 55.97 53.49 1hxd s LYS 283 Cb 0.00 -3.79 0.04 0.00 -1.05 0.00 0.00 37.83 33.03 1hxd s LYS 283 CO 0.00 -0.79 0.84 -1.21 1.55 0.00 0.00 175.35 175.74 1hxd s GLU 284 N 2.99 3.32 -0.18 4.03 2.02 -1.26 -1.64 118.70 127.98 1hxd s GLU 284 Ca 0.30 -0.33 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 1hxd s GLU 284 Cb -0.14 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 1hxd s GLU 284 CO 0.16 -1.33 0.03 0.42 0.02 0.00 0.00 175.26 174.56 1hxd s ILE 285 N 3.52 4.51 -0.04 -1.63 1.09 0.41 -4.95 121.20 124.11 1hxd s ILE 285 Ca 0.28 -0.13 0.07 0.00 -1.10 0.00 0.00 60.65 59.76 1hxd s ILE 285 Cb -0.14 -3.02 -0.01 0.00 -1.06 0.00 0.00 42.46 38.23 1hxd s ILE 285 CO 0.19 0.46 -0.25 0.12 -0.10 0.00 0.00 174.94 175.37 1hxd s PHE 286 N 0.43 2.42 -0.65 3.97 5.99 -1.26 0.05 117.98 128.93 1hxd s PHE 286 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 56.93 56.35 1hxd s PHE 286 Cb -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 43.02 41.32 1hxd s PHE 286 CO 0.01 -0.13 0.00 0.41 -0.00 0.00 0.00 175.22 175.51 1hxd n GLY 287 N 2.74 -0.57 3.17 13.12 0.00 -1.21 -4.82 105.19 117.62 1hxd n GLY 287 Ca -0.17 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1hxd n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxd s ILE 288 N -4.00 1.46 -0.01 -0.61 1.01 -0.73 -1.39 121.20 116.93 1hxd s ILE 288 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 1hxd s ILE 288 Cb 0.00 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1hxd s ILE 288 CO 0.00 0.42 0.84 -0.55 0.00 0.00 0.00 174.94 175.64 1hxd s SER 289 N -0.28 7.21 -0.10 3.58 0.15 -0.66 0.11 113.70 123.69 1hxd s SER 289 Ca 0.03 1.45 0.15 0.00 0.70 0.00 0.00 55.95 58.29 1hxd s SER 289 Cb -0.09 -2.49 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 1hxd s SER 289 CO 0.00 -0.15 1.12 0.54 1.20 0.00 0.00 173.24 175.95 1hxd n ARG 290 N 3.60 1.24 0.00 5.44 5.12 -1.07 0.95 116.66 131.95 1hxd n ARG 290 Ca 0.02 -2.30 0.00 0.00 -1.93 0.00 0.00 57.85 53.64 1hxd n ARG 290 Cb 0.51 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1hxd n ARG 290 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hxd n GLY 291 N -1.19 0.95 3.34 -0.13 0.00 -1.26 -4.79 105.19 102.11 1hxd n GLY 291 Ca 0.13 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 1hxd n GLY 291 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hxd s ILE 292 N 0.00 1.82 0.40 -0.61 -4.36 -1.25 -0.14 121.20 117.05 1hxd s ILE 292 Ca 0.00 -2.05 0.08 0.00 -0.26 0.00 0.00 60.65 58.42 1hxd s ILE 292 Cb 0.00 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1hxd s ILE 292 CO 0.00 -0.42 0.54 1.51 0.24 0.00 0.00 174.94 176.81 1hxd s ASP 293 N -2.94 5.75 0.00 4.36 -4.77 0.44 -4.85 116.67 114.66 1hxd s ASP 293 Ca 0.19 -0.35 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 1hxd s ASP 293 Cb -0.04 -0.82 0.00 0.00 -1.09 0.00 0.00 42.92 40.97 1hxd s ASP 293 CO 0.07 -0.67 0.79 2.29 0.70 0.00 0.00 175.17 178.36 1hxd n LYS 294 N -1.79 0.00 -1.09 2.11 2.85 -1.26 0.41 118.16 119.39 1hxd n LYS 294 Ca 0.06 0.30 -0.11 0.00 -1.05 0.00 0.00 58.31 57.51 1hxd n LYS 294 Cb 0.59 -1.67 0.15 0.00 -0.65 0.00 0.00 35.03 33.45 1hxd n LYS 294 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1hxd n GLN 295 N -1.29 2.24 -1.37 -1.58 3.00 -1.26 -4.78 117.38 112.34 1hxd n GLN 295 Ca 0.00 -3.41 -0.14 0.00 -0.01 0.00 0.00 57.00 53.45 1hxd n GLN 295 Cb 0.17 -1.94 -0.06 0.00 0.00 0.00 0.00 30.24 28.41 1hxd n GLN 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1hxd n GLY 296 N -1.03 1.29 3.80 1.08 0.00 0.17 -4.77 105.19 105.73 1hxd n GLY 296 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 1hxd n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxd s ALA 297 N -2.13 3.22 0.32 4.61 0.00 -1.19 -4.73 121.76 121.86 1hxd s ALA 297 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.09 1hxd s ALA 297 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1hxd s ALA 297 CO 0.00 0.20 1.04 -1.17 0.00 0.00 0.00 175.76 175.84 1hxd s LEU 298 N -2.33 4.40 -0.23 0.00 2.96 -1.15 0.17 118.68 122.50 1hxd s LEU 298 Ca 0.51 2.10 -0.09 0.00 -0.22 0.00 0.00 54.13 56.44 1hxd s LEU 298 Cb -0.16 -3.86 -0.04 0.00 0.50 0.00 0.00 46.19 42.63 1hxd s LEU 298 CO 0.21 -0.21 0.10 -0.76 -1.32 0.00 0.00 176.35 174.36 1hxd s LEU 299 N -1.89 3.80 -0.06 -0.68 1.43 0.80 -2.52 118.68 119.55 1hxd s LEU 299 Ca 0.49 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1hxd s LEU 299 Cb -0.26 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1hxd s LEU 299 CO 0.33 0.06 -0.13 -0.22 0.23 0.00 0.00 176.35 176.63 1hxd s LEU 300 N 1.07 1.67 -0.14 1.79 2.96 0.17 -2.58 118.68 123.62 1hxd s LEU 300 Ca 0.05 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1hxd s LEU 300 Cb -0.14 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 1hxd s LEU 300 CO 0.04 0.04 0.01 -0.70 -1.32 0.00 0.00 176.35 174.42 1hxd s GLU 301 N 0.61 3.54 -0.20 1.98 2.12 0.12 0.22 118.70 127.09 1hxd s GLU 301 Ca -0.14 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 1hxd s GLU 301 Cb -0.15 -2.98 0.06 0.00 0.26 0.00 0.00 34.13 31.32 1hxd s GLU 301 CO 0.04 0.42 0.05 -0.65 -0.54 0.00 0.00 175.26 174.58 1hxd s GLN 302 N -0.09 0.55 -0.28 4.30 1.11 0.39 -1.77 119.66 123.88 1hxd s GLN 302 Ca 0.04 -0.41 -0.02 0.00 0.01 0.00 0.00 55.36 54.99 1hxd s GLN 302 Cb -0.13 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 29.84 1hxd s GLN 302 CO 0.02 -0.68 0.05 -0.40 0.01 0.00 0.00 175.29 174.29 1hxd n ASP 303 N 5.08 -7.82 -0.96 5.90 5.75 -1.26 -2.41 116.55 120.83 1hxd n ASP 303 Ca -0.08 1.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.92 1hxd n ASP 303 Cb 0.47 -4.80 0.00 0.00 -1.03 0.00 0.00 41.12 35.76 1hxd n ASP 303 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hxd n GLY 304 N 0.71 -0.08 2.82 6.12 0.00 -1.26 -4.75 105.19 108.76 1hxd n GLY 304 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1hxd n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxd s ILE 305 N -0.84 1.07 0.06 -0.61 1.01 -1.01 -5.08 121.20 115.79 1hxd s ILE 305 Ca 0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 60.65 59.31 1hxd s ILE 305 Cb 0.00 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.86 1hxd s ILE 305 CO 0.00 -0.31 0.70 -0.63 0.00 0.00 0.00 174.94 174.70 1hxd s ILE 306 N 1.58 4.71 -0.01 2.92 1.09 -1.25 0.15 121.20 130.39 1hxd s ILE 306 Ca 0.01 1.50 -0.18 0.00 -1.10 0.00 0.00 60.65 60.88 1hxd s ILE 306 Cb -0.18 -4.05 0.03 0.00 -1.06 0.00 0.00 42.46 37.20 1hxd s ILE 306 CO -0.12 0.43 0.38 -0.75 -0.10 0.00 0.00 174.94 174.78 1hxd s LYS 307 N -0.39 0.77 0.23 2.79 2.47 0.13 -4.93 119.74 120.82 1hxd s LYS 307 Ca 0.35 -0.16 -0.14 0.00 -1.56 0.00 0.00 55.97 54.47 1hxd s LYS 307 Cb -0.20 0.35 -0.08 0.00 -1.46 0.00 0.00 37.83 36.44 1hxd s LYS 307 CO 0.22 -0.23 0.63 -1.25 0.16 0.00 0.00 175.35 174.88 1hxd s PRO 308 N -1.51 3.97 -0.17 4.03 0.04 -1.26 0.44 135.00 140.54 1hxd s PRO 308 Ca -0.12 0.53 -0.06 0.00 0.04 0.00 0.00 61.00 61.39 1hxd s PRO 308 Cb -0.04 -2.69 0.08 0.00 0.04 0.00 0.00 34.50 31.89 1hxd s PRO 308 CO 0.04 0.33 0.36 -1.58 0.04 0.00 0.00 177.00 176.19 1hxd s TRP 309 N -1.73 -0.66 -0.69 0.56 0.52 -1.05 -4.96 118.94 110.94 1hxd s TRP 309 Ca 0.46 1.32 -0.00 0.00 0.02 0.00 0.00 56.10 57.90 1hxd s TRP 309 Cb -0.13 0.18 0.40 0.00 -1.15 0.00 0.00 33.47 32.77 1hxd s TRP 309 CO 0.20 -0.43 1.82 -1.33 0.02 0.00 0.00 176.95 177.22 1hxd n MET 310 N 5.32 2.91 -3.61 4.98 2.81 -1.26 -2.96 117.12 125.32 1hxd n MET 310 Ca -0.08 -3.67 -0.02 0.00 -1.81 0.00 0.00 57.70 52.12 1hxd n MET 310 Cb 0.50 -2.27 -0.01 0.00 -0.71 0.00 0.00 33.22 30.72 1hxd n MET 310 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1hxd s GLY 311 N -1.88 -0.32 0.00 3.03 0.00 -1.26 -5.11 107.32 101.78 1hxd s GLY 311 Ca 0.55 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.64 1hxd s GLY 311 CO -0.23 0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1hxd n GLY 312 N -0.21 -1.70 3.28 0.20 0.00 -1.25 -4.49 105.19 101.00 1hxd n GLY 312 Ca -0.02 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 1hxd n GLY 312 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hxd s GLU 313 N 0.00 1.26 -0.25 1.61 2.12 -0.97 -4.86 118.70 117.61 1hxd s GLU 313 Ca 0.00 -1.08 -0.05 0.00 0.36 0.00 0.00 54.97 54.19 1hxd s GLU 313 Cb 0.00 -1.48 -0.00 0.00 0.26 0.00 0.00 34.13 32.90 1hxd s GLU 313 CO 0.00 0.36 0.02 -1.50 -0.54 0.00 0.00 175.26 173.60 1hxd s ILE 314 N -1.00 3.72 0.53 -3.70 1.10 -1.25 -2.06 121.20 118.53 1hxd s ILE 314 Ca 0.07 -0.53 0.01 0.00 -0.51 0.00 0.00 60.65 59.69 1hxd s ILE 314 Cb -0.10 -2.79 0.00 0.00 0.15 0.00 0.00 42.46 39.72 1hxd s ILE 314 CO 0.03 0.28 0.06 -0.44 -2.11 0.00 0.00 174.94 172.76 1hxd s SER 315 N 1.50 4.22 0.41 4.50 0.01 -0.82 -4.97 113.70 118.56 1hxd s SER 315 Ca 0.04 -1.63 0.08 0.00 1.31 0.00 0.00 55.95 55.75 1hxd s SER 315 Cb -0.16 0.61 -0.00 0.00 0.21 0.00 0.00 66.02 66.68 1hxd s SER 315 CO -0.00 -0.93 0.48 -0.22 0.41 0.00 0.00 173.24 172.98 1hxd s LEU 316 N -3.95 3.56 0.00 2.44 0.20 -1.26 -1.77 118.68 117.90 1hxd s LEU 316 Ca 0.07 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.35 1hxd s LEU 316 Cb 0.00 -2.41 0.00 0.00 -0.43 0.00 0.00 46.19 43.35 1hxd s LEU 316 CO 0.04 -0.69 0.39 -1.14 -0.29 0.00 0.00 176.35 174.66