#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qeo s THR 2 N 0.00 2.71 0.26 6.31 -4.23 -1.26 -4.58 115.64 114.86 2qeo s THR 2 Ca 0.00 -1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.36 2qeo s THR 2 Cb 0.00 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.27 2qeo s THR 2 CO 0.00 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 176.54 2qeo h VAL 3 N 0.70 1.08 0.55 2.29 2.07 -1.90 -1.10 116.25 119.93 2qeo h VAL 3 Ca -0.39 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2qeo h VAL 3 Cb 1.28 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2qeo h VAL 3 CO 0.49 0.21 -0.48 1.56 0.02 0.00 0.00 177.57 179.37 2qeo h GLN 4 N 1.15 -0.98 -0.87 1.57 4.20 -1.98 -0.65 115.11 117.55 2qeo h GLN 4 Ca 0.43 0.07 0.15 0.00 0.06 0.00 0.00 58.65 59.36 2qeo h GLN 4 Cb 0.18 0.22 -0.15 0.00 0.30 0.00 0.00 27.48 28.03 2qeo h GLN 4 CO -0.18 -0.65 -0.34 -0.44 -0.67 0.00 0.00 178.83 176.55 2qeo h ASP 5 N -1.01 -1.23 -0.70 1.46 3.32 -1.83 0.21 116.42 116.64 2qeo h ASP 5 Ca -0.07 0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.32 2qeo h ASP 5 Cb 0.86 0.67 -0.05 0.00 0.22 0.00 0.00 39.33 41.03 2qeo h ASP 5 CO -0.02 -0.29 0.41 0.00 -1.72 0.00 0.00 179.24 177.61 2qeo h GLU 7 N 0.76 0.47 -0.05 0.00 5.08 0.72 -2.84 114.58 118.73 2qeo h GLU 7 Ca 0.30 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2qeo h GLU 7 Cb 0.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2qeo h GLU 7 CO -0.16 0.62 -0.33 -0.91 -1.00 0.00 0.00 179.01 177.22 2qeo h ASN 8 N 0.43 0.09 -0.42 1.42 2.35 0.12 -2.96 115.58 116.60 2qeo h ASN 8 Ca 0.08 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2qeo h ASN 8 Cb 0.53 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2qeo h ASN 8 CO 0.03 0.42 0.00 2.29 -1.65 0.00 0.00 177.43 178.53 2qeo n LYS 9 N -4.12 3.25 -2.44 0.81 2.85 -0.79 -4.95 118.16 112.77 2qeo n LYS 9 Ca -0.02 -2.06 -0.38 0.00 -1.05 0.00 0.00 58.31 54.81 2qeo n LYS 9 Cb 0.39 -1.85 -0.03 0.00 -0.65 0.00 0.00 35.03 32.89 2qeo n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2qeo s LEU 10 N -1.64 4.27 0.43 -5.58 1.43 -1.12 -5.03 118.68 111.45 2qeo s LEU 10 Ca 0.36 2.20 -0.22 0.00 -1.03 0.00 0.00 54.13 55.44 2qeo s LEU 10 Cb 0.25 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 2qeo s LEU 10 CO 0.14 -0.46 1.01 -2.16 0.23 0.00 0.00 176.35 175.11 2qeo s PRO 11 N -2.15 4.09 0.31 1.29 0.04 -1.26 -4.66 135.00 132.66 2qeo s PRO 11 Ca 0.54 1.32 0.15 0.00 0.04 0.00 0.00 61.00 63.05 2qeo s PRO 11 Cb -0.27 -2.29 1.08 0.00 0.04 0.00 0.00 34.50 33.06 2qeo s PRO 11 CO 0.35 -0.18 1.37 -2.30 0.04 0.00 0.00 177.00 176.28 2qeo n PRO 12 N -0.52 -0.06 0.11 0.56 -0.01 -1.26 0.94 135.00 134.76 2qeo n PRO 12 Ca 0.07 1.22 -0.03 0.00 -0.01 0.00 0.00 63.50 64.75 2qeo n PRO 12 Cb 0.52 -2.14 0.18 0.00 -0.01 0.00 0.00 33.50 32.05 2qeo n PRO 12 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 2qeo h SER 13 N 0.00 0.16 0.49 2.55 4.64 -2.02 -3.09 113.55 116.28 2qeo h SER 13 Ca 0.70 -0.09 -0.30 0.00 -0.47 0.00 0.00 61.79 61.64 2qeo h SER 13 Cb 1.80 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.83 2qeo h SER 13 CO -0.70 0.68 -1.50 -0.07 -0.87 0.00 0.00 176.83 174.37 2qeo h LEU 14 N 0.11 0.35 -1.67 5.97 3.38 0.22 -3.33 115.31 120.34 2qeo h LEU 14 Ca -0.00 -0.48 0.13 0.00 0.09 0.00 0.00 57.88 57.62 2qeo h LEU 14 Cb 1.01 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2qeo h LEU 14 CO 0.08 1.40 0.44 0.11 0.09 0.00 0.00 178.44 180.56 2qeo h LYS 15 N 0.06 0.34 0.00 1.13 1.57 -1.14 -1.17 116.57 117.35 2qeo h LYS 15 Ca -0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2qeo h LYS 15 Cb 2.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.23 2qeo h LYS 15 CO 0.16 0.22 0.00 0.43 -0.57 0.00 0.00 179.45 179.69 2qeo n SER 16 N -4.46 0.40 -0.60 0.86 7.64 -1.18 -2.22 113.62 114.06 2qeo n SER 16 Ca 0.12 0.59 0.05 0.00 1.01 0.00 0.00 58.87 60.64 2qeo n SER 16 Cb 0.48 -0.68 0.19 0.00 -1.01 0.00 0.00 64.21 63.19 2qeo n SER 16 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qeo n ARG 17 N -1.93 1.72 -0.33 1.43 1.74 -0.45 -4.80 116.66 114.05 2qeo n ARG 17 Ca 0.03 -3.00 0.05 0.00 -0.77 0.00 0.00 57.85 54.17 2qeo n ARG 17 Cb 0.24 -1.66 0.21 0.00 -1.02 0.00 0.00 32.46 30.23 2qeo n ARG 17 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qeo h LEU 18 N 0.80 0.79 -1.15 0.55 5.85 -1.43 -0.67 115.31 120.04 2qeo h LEU 18 Ca 0.05 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2qeo h LEU 18 Cb 1.20 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2qeo h LEU 18 CO 0.11 0.42 -0.38 0.00 -0.34 0.00 0.00 178.44 178.26 2qeo h GLU 20 N 0.00 -0.23 -0.01 0.00 5.08 -1.52 -1.99 114.58 115.90 2qeo h GLU 20 Ca -0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2qeo h GLU 20 Cb 0.77 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2qeo h GLU 20 CO 0.05 0.13 -0.45 0.82 -1.00 0.00 0.00 179.01 178.56 2qeo h ILE 21 N -0.64 0.11 0.00 3.13 2.04 -0.91 -0.71 117.51 120.53 2qeo h ILE 21 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2qeo h ILE 21 Cb 0.47 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2qeo h ILE 21 CO 0.04 0.00 0.02 0.03 0.00 0.00 0.00 178.15 178.24 2qeo h ARG 22 N -0.60 0.00 -0.33 2.37 3.08 -0.46 0.98 114.38 119.42 2qeo h ARG 22 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2qeo h ARG 22 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2qeo h ARG 22 CO -0.33 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.11 2qeo n ARG 23 N -2.29 2.15 -2.08 0.04 1.74 -0.37 -4.92 116.66 110.91 2qeo n ARG 23 Ca -0.01 -1.74 -0.12 0.00 -0.77 0.00 0.00 57.85 55.20 2qeo n ARG 23 Cb 0.05 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 2qeo n ARG 23 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qeo n TYR 24 N 0.94 -0.48 -2.49 -1.55 4.01 0.34 -4.99 117.16 112.95 2qeo n TYR 24 Ca 0.18 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.50 2qeo n TYR 24 Cb 0.46 -2.67 -0.04 0.00 -0.31 0.00 0.00 39.34 36.79 2qeo n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2qeo s GLU 25 N -4.34 4.53 -0.09 -0.72 2.02 -0.60 -5.00 118.70 114.50 2qeo s GLU 25 Ca 0.00 1.72 -0.29 0.00 0.02 0.00 0.00 54.97 56.42 2qeo s GLU 25 Cb 0.00 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 2qeo s GLU 25 CO 0.00 -0.06 0.97 0.42 0.02 0.00 0.00 175.26 176.61 2qeo s ILE 26 N 0.32 4.83 -0.15 -1.63 1.01 -1.26 -4.46 121.20 119.85 2qeo s ILE 26 Ca 0.53 1.97 -0.00 0.00 0.00 0.00 0.00 60.65 63.15 2qeo s ILE 26 Cb -0.29 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 37.93 2qeo s ILE 26 CO 0.32 0.05 -0.08 -0.63 0.00 0.00 0.00 174.94 174.61 2qeo s ILE 27 N 1.74 1.23 0.83 2.92 1.01 -1.26 -5.12 121.20 122.55 2qeo s ILE 27 Ca 0.48 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 2qeo s ILE 27 Cb -0.19 -1.30 0.10 0.00 0.01 0.00 0.00 42.46 41.08 2qeo s ILE 27 CO 0.20 0.26 1.19 -1.61 0.00 0.00 0.00 174.94 174.98 2qeo s GLU 28 N 1.60 1.80 0.00 2.79 0.41 -1.26 -4.69 118.70 119.35 2qeo s GLU 28 Ca 0.02 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 2qeo s GLU 28 Cb -0.14 -1.95 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2qeo s GLU 28 CO -0.08 -1.69 0.00 0.41 -0.49 0.00 0.00 175.26 173.40 2qeo n GLY 29 N -3.36 3.37 0.37 -1.39 0.00 -1.26 -4.72 105.19 98.20 2qeo n GLY 29 Ca 0.09 -1.75 0.19 0.00 0.00 0.00 0.00 46.02 44.55 2qeo n GLY 29 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qeo h PRO 30 N 0.00 0.00 0.00 1.61 0.11 -1.99 -1.88 132.00 129.85 2qeo h PRO 30 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 2qeo h PRO 30 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2qeo h PRO 30 CO 0.00 0.00 -1.21 0.93 -0.21 0.00 0.00 178.00 177.51 2qeo h GLU 31 N 0.00 0.00 -0.22 1.05 4.39 -1.97 -2.58 114.58 115.25 2qeo h GLU 31 Ca 0.22 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.73 2qeo h GLU 31 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2qeo h GLU 31 CO -0.00 0.55 -0.61 0.52 -1.16 0.00 0.00 179.01 178.31 2qeo h MET 32 N 0.00 0.76 -0.60 2.33 2.86 -1.70 -0.80 114.93 117.77 2qeo h MET 32 Ca -0.13 -0.52 0.12 0.00 -2.06 0.00 0.00 59.70 57.12 2qeo h MET 32 Cb 1.70 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 33.34 2qeo h MET 32 CO 0.08 1.14 0.07 -0.44 1.06 0.00 0.00 176.91 178.82 2qeo h ASP 33 N 0.56 -0.12 -0.42 1.22 3.32 -1.36 0.11 116.42 119.74 2qeo h ASP 33 Ca -0.00 0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2qeo h ASP 33 Cb 1.21 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.95 2qeo h ASP 33 CO 0.13 -0.05 0.00 0.11 -1.72 0.00 0.00 179.24 177.71 2qeo h LYS 34 N 0.19 0.74 -0.47 3.56 1.57 -1.43 -2.77 116.57 117.96 2qeo h LYS 34 Ca 0.32 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2qeo h LYS 34 Cb 0.49 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2qeo h LYS 34 CO -0.45 0.82 0.12 1.25 -0.57 0.00 0.00 179.45 180.61 2qeo h HIS 35 N 0.58 0.78 -0.23 -1.35 2.76 -0.65 -2.29 115.15 114.75 2qeo h HIS 35 Ca 0.12 -0.09 -0.19 0.00 -2.20 0.00 0.00 60.37 58.01 2qeo h HIS 35 Cb 0.48 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2qeo h HIS 35 CO 0.04 0.70 -0.61 0.82 -1.30 0.00 0.00 177.93 177.58 2qeo h ILE 36 N 0.63 1.28 -0.55 6.26 1.08 -0.83 -1.99 117.51 123.40 2qeo h ILE 36 Ca 0.15 -1.82 0.11 0.00 -0.39 0.00 0.00 64.86 62.91 2qeo h ILE 36 Cb 0.31 1.75 -0.10 0.00 -3.07 0.00 0.00 36.82 35.72 2qeo h ILE 36 CO -0.00 0.58 -0.08 -0.74 -0.69 0.00 0.00 178.15 177.22 2qeo h HIS 37 N 0.59 -0.19 -0.19 1.37 -0.00 -1.53 -0.84 115.15 114.37 2qeo h HIS 37 Ca -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2qeo h HIS 37 Cb 1.22 0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.79 2qeo h HIS 37 CO 0.07 -0.20 0.11 0.00 -0.00 0.00 0.00 177.93 177.92 2qeo h VAL 39 N 0.22 1.34 -0.45 0.00 -1.51 -1.36 -0.75 116.25 113.74 2qeo h VAL 39 Ca 0.07 -1.84 -0.13 0.00 -1.23 0.00 0.00 66.70 63.57 2qeo h VAL 39 Cb 0.02 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 2qeo h VAL 39 CO -0.01 0.56 -0.23 0.24 -1.23 0.00 0.00 177.57 176.90 2qeo h MET 40 N 0.31 0.96 -0.69 5.19 2.86 -0.97 -1.46 114.93 121.13 2qeo h MET 40 Ca 0.00 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.16 2qeo h MET 40 Cb 1.07 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 2qeo h MET 40 CO 0.10 1.09 0.17 0.00 1.06 0.00 0.00 176.91 179.33 2qeo h ARG 41 N 0.80 1.10 -0.32 1.72 2.47 -0.91 0.24 114.38 119.48 2qeo h ARG 41 Ca 0.10 -0.26 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 2qeo h ARG 41 Cb 0.80 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2qeo h ARG 41 CO 0.07 0.97 0.06 0.00 0.56 0.00 0.00 179.97 181.63 2qeo h ALA 42 N 1.08 1.50 -0.02 0.04 0.00 -0.68 -0.31 119.26 120.87 2qeo h ALA 42 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qeo h ALA 42 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qeo h ALA 42 CO 0.00 0.37 -0.02 1.28 0.00 0.00 0.00 179.25 180.88 2qeo n LEU 43 N -4.34 2.43 -0.96 0.00 4.77 -0.59 -4.87 117.00 113.45 2qeo n LEU 43 Ca 0.01 -0.81 -0.06 0.00 -0.03 0.00 0.00 56.01 55.12 2qeo n LEU 43 Cb 0.19 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2qeo n LEU 43 CO 0.38 0.41 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.15 2qeo n ASP 44 N 0.88 -2.76 0.01 -1.43 -0.08 -0.13 -4.92 116.55 108.12 2qeo n ASP 44 Ca 0.16 -0.06 0.11 0.00 -1.51 0.00 0.00 54.79 53.48 2qeo n ASP 44 Cb 0.51 -1.80 0.04 0.00 2.34 0.00 0.00 41.12 42.20 2qeo n ASP 44 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2qeo n PHE 45 N -3.72 0.07 -4.04 -0.67 3.72 0.68 -4.91 117.46 108.59 2qeo n PHE 45 Ca -0.04 0.02 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 2qeo n PHE 45 Cb 0.54 -0.20 -0.12 0.00 -0.94 0.00 0.00 39.48 38.76 2qeo n PHE 45 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2qeo s VAL 46 N -3.06 0.36 1.09 -4.37 -7.23 -1.24 -0.93 120.40 105.01 2qeo s VAL 46 Ca 0.08 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.28 2qeo s VAL 46 Cb 0.16 -0.43 0.23 0.00 0.56 0.00 0.00 36.38 36.91 2qeo s VAL 46 CO 0.80 -0.31 1.09 -0.31 -0.31 0.00 0.00 175.10 176.05 2qeo s TYR 47 N -1.11 1.52 0.54 2.82 2.02 0.11 -4.70 117.35 118.55 2qeo s TYR 47 Ca -0.09 0.85 0.31 0.00 -0.37 0.00 0.00 57.07 57.76 2qeo s TYR 47 Cb -0.08 -3.29 1.78 0.00 -0.40 0.00 0.00 41.96 39.97 2qeo s TYR 47 CO -0.00 -3.35 2.21 0.93 -1.57 0.00 0.00 175.55 173.78 2qeo h GLU 48 N -2.22 0.00 -0.41 -0.62 5.08 -2.02 0.63 114.58 115.03 2qeo h GLU 48 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2qeo h GLU 48 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2qeo h GLU 48 CO 0.50 0.04 0.00 -0.40 -1.00 0.00 0.00 179.01 178.15 2qeo n ASP 49 N -3.68 2.61 0.00 1.42 5.68 -1.26 -4.93 116.55 116.40 2qeo n ASP 49 Ca -0.03 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 2qeo n ASP 49 Cb 0.13 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 2qeo n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qeo n GLY 50 N 1.30 1.12 3.72 6.12 0.00 0.22 -4.65 105.19 113.03 2qeo n GLY 50 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qeo n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qeo s ARG 51 N -0.60 4.20 0.47 1.61 3.52 -1.26 -2.99 118.95 123.90 2qeo s ARG 51 Ca 0.00 2.42 -0.23 0.00 -0.13 0.00 0.00 55.73 57.79 2qeo s ARG 51 Cb 0.00 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.19 2qeo s ARG 51 CO 0.00 -0.63 1.22 0.20 -0.81 0.00 0.00 175.30 175.28 2qeo s GLY 52 N 1.12 2.82 -0.52 8.12 0.00 -1.26 0.04 107.32 117.63 2qeo s GLY 52 Ca 0.71 1.05 -0.11 0.00 0.00 0.00 0.00 44.72 46.37 2qeo s GLY 52 CO 0.32 1.53 0.41 -0.35 0.00 0.00 0.00 173.10 175.02 2qeo s ASP 53 N -1.21 5.86 0.34 1.64 -1.08 -0.11 -4.82 116.67 117.29 2qeo s ASP 53 Ca 0.64 -2.01 0.18 0.00 -0.52 0.00 0.00 52.55 50.85 2qeo s ASP 53 Cb -0.32 -2.06 1.22 0.00 -1.46 0.00 0.00 42.92 40.30 2qeo s ASP 53 CO 0.39 -0.70 1.48 0.00 0.52 0.00 0.00 175.17 176.86 2qeo n TYR 54 N 4.82 1.05 0.34 -5.34 9.36 -1.26 -1.55 117.16 124.58 2qeo n TYR 54 Ca -0.06 1.11 0.12 0.00 3.32 0.00 0.00 57.90 62.38 2qeo n TYR 54 Cb 0.41 -1.48 0.24 0.00 -0.63 0.00 0.00 39.34 37.87 2qeo n TYR 54 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2qeo h HIS 55 N 0.00 0.00 0.00 2.98 3.86 -1.96 -0.18 115.15 119.85 2qeo h HIS 55 Ca 0.78 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.99 2qeo h HIS 55 Cb 2.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.50 2qeo h HIS 55 CO -0.05 0.00 0.00 1.63 0.86 0.00 0.00 177.93 180.37 2qeo n LYS 56 N -2.84 0.09 0.00 2.45 4.76 -0.60 -4.34 118.16 117.68 2qeo n LYS 56 Ca 0.04 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2qeo n LYS 56 Cb 0.50 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2qeo n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qeo n LEU 57 N -1.83 1.29 0.03 -0.35 4.77 -1.09 -4.67 117.00 115.15 2qeo n LEU 57 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2qeo n LEU 57 Cb 0.21 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 2qeo n LEU 57 CO 0.17 0.20 0.58 0.22 -1.33 0.00 0.00 177.39 177.23 2qeo h TYR 58 N 0.00 -1.22 0.12 -1.77 5.03 -1.22 -0.49 116.97 117.42 2qeo h TYR 58 Ca 0.00 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2qeo h TYR 58 Cb 0.45 0.54 0.00 0.00 1.55 0.00 0.00 36.73 39.27 2qeo h TYR 58 CO 0.00 -0.49 -0.06 -0.44 -1.32 0.00 0.00 178.16 175.85 2qeo h ASP 59 N -0.54 -0.14 -0.55 -2.11 3.32 -1.84 -1.91 116.42 112.65 2qeo h ASP 59 Ca 0.06 -0.32 0.08 0.00 0.02 0.00 0.00 57.03 56.87 2qeo h ASP 59 Cb 0.65 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.16 2qeo h ASP 59 CO -0.35 0.27 0.18 -0.65 -1.72 0.00 0.00 179.24 176.97 2qeo h PRO 60 N -0.57 0.34 -0.64 3.56 0.11 -1.82 0.52 132.00 133.49 2qeo h PRO 60 Ca -0.02 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.14 2qeo h PRO 60 Cb 0.45 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.42 2qeo h PRO 60 CO 0.03 0.23 0.32 -0.07 -0.21 0.00 0.00 178.00 178.30 2qeo h LEU 61 N 0.35 0.45 -0.31 2.35 3.38 -1.06 -1.26 115.31 119.21 2qeo h LEU 61 Ca 0.27 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.15 2qeo h LEU 61 Cb 0.33 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2qeo h LEU 61 CO -0.29 0.28 -0.65 0.78 0.09 0.00 0.00 178.44 178.65 2qeo h ASN 62 N 0.59 0.00 -0.46 -0.43 2.35 -0.56 0.00 115.58 117.08 2qeo h ASN 62 Ca 0.30 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.92 2qeo h ASN 62 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2qeo h ASN 62 CO -0.22 0.65 -0.24 0.40 -1.65 0.00 0.00 177.43 176.37 2qeo h ILE 63 N 0.00 1.27 -0.05 2.81 2.04 0.23 -2.58 117.51 121.23 2qeo h ILE 63 Ca -0.01 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.38 2qeo h ILE 63 Cb 1.36 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2qeo h ILE 63 CO 0.08 0.48 -0.24 0.40 0.00 0.00 0.00 178.15 178.88 2qeo h ILE 64 N 0.82 1.46 -2.66 -0.67 2.04 -1.17 -3.43 117.51 113.90 2qeo h ILE 64 Ca 0.10 -1.70 -0.47 0.00 1.00 0.00 0.00 64.86 63.80 2qeo h ILE 64 Cb 0.82 2.42 -0.38 0.00 -0.74 0.00 0.00 36.82 38.94 2qeo h ILE 64 CO 0.07 0.47 -0.74 -0.70 0.00 0.00 0.00 178.15 177.26 2qeo s GLU 65 N -3.59 0.21 -0.25 2.37 2.56 -0.02 -5.10 118.70 114.87 2qeo s GLU 65 Ca -0.15 -0.37 -0.28 0.00 0.00 0.00 0.00 54.97 54.17 2qeo s GLU 65 Cb 0.03 -1.11 -0.04 0.00 2.00 0.00 0.00 34.13 35.01 2qeo s GLU 65 CO 0.75 -0.98 2.09 -1.17 -0.56 0.00 0.00 175.26 175.40 2qeo s LEU 66 N 2.17 3.46 -0.18 2.70 2.96 -0.97 -4.15 118.68 124.66 2qeo s LEU 66 Ca 0.08 1.71 -0.08 0.00 -0.22 0.00 0.00 54.13 55.63 2qeo s LEU 66 Cb -0.16 -3.52 0.08 0.00 0.50 0.00 0.00 46.19 43.10 2qeo s LEU 66 CO -0.33 -1.89 0.41 -0.62 -1.32 0.00 0.00 176.35 172.61 2qeo s ASP 67 N 7.63 -0.36 0.58 3.68 -1.08 -1.26 -5.02 116.67 120.84 2qeo s ASP 67 Ca 0.94 0.94 0.36 0.00 -0.52 0.00 0.00 52.55 54.27 2qeo s ASP 67 Cb -0.30 1.06 1.65 0.00 -1.46 0.00 0.00 42.92 43.88 2qeo s ASP 67 CO 0.35 -0.21 2.09 0.07 0.52 0.00 0.00 175.17 177.98 2qeo h LYS 68 N 7.69 0.00 0.00 4.34 2.10 -2.02 -2.80 116.57 125.88 2qeo h LYS 68 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2qeo h LYS 68 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2qeo h LYS 68 CO 0.20 0.01 0.00 0.00 -2.00 0.00 0.00 179.45 177.66 2qeo h ARG 69 N 0.00 0.00 -0.62 0.07 3.08 -1.98 -3.18 114.38 111.76 2qeo h ARG 69 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2qeo h ARG 69 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 2qeo h ARG 69 CO 0.00 0.00 0.36 0.45 -1.07 0.00 0.00 179.97 179.71 2qeo h HIS 70 N 0.00 0.66 -0.14 3.04 3.86 -1.89 0.48 115.15 121.17 2qeo h HIS 70 Ca 0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2qeo h HIS 70 Cb 0.70 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2qeo h HIS 70 CO 0.00 0.35 0.08 0.22 0.86 0.00 0.00 177.93 179.44 2qeo h ASP 71 N 0.69 0.17 -0.33 2.45 3.58 -1.76 0.12 116.42 121.35 2qeo h ASP 71 Ca 0.26 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2qeo h ASP 71 Cb 0.10 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2qeo h ASP 71 CO -0.14 0.20 0.18 0.58 -2.88 0.00 0.00 179.24 177.18 2qeo h VAL 72 N 0.13 1.14 -0.44 2.25 2.07 -1.54 -1.50 116.25 118.36 2qeo h VAL 72 Ca 0.05 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2qeo h VAL 72 Cb 0.06 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2qeo h VAL 72 CO -0.01 0.14 0.15 0.78 0.02 0.00 0.00 177.57 178.65 2qeo h ASN 73 N 0.41 0.63 -0.16 0.57 -0.26 0.06 -0.24 115.58 116.58 2qeo h ASN 73 Ca 0.12 -0.19 0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2qeo h ASN 73 Cb 0.06 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 2qeo h ASN 73 CO -0.02 0.65 0.04 -0.07 -1.06 0.00 0.00 177.43 176.97 2qeo h LEU 74 N 0.57 0.02 -0.54 1.61 3.38 -0.71 -0.41 115.31 119.23 2qeo h LEU 74 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2qeo h LEU 74 Cb 0.24 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2qeo h LEU 74 CO -0.01 0.04 0.29 -0.33 0.09 0.00 0.00 178.44 178.52 2qeo h GLU 75 N 0.11 0.76 -0.63 1.13 4.39 -1.11 0.13 114.58 119.35 2qeo h GLU 75 Ca 0.07 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2qeo h GLU 75 Cb 0.06 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2qeo h GLU 75 CO -0.09 0.59 0.36 -0.22 -1.16 0.00 0.00 179.01 178.49 2qeo h LYS 76 N 0.73 0.87 0.09 2.33 3.64 -0.88 -0.14 116.57 123.22 2qeo h LYS 76 Ca 0.19 -0.09 -0.26 0.00 -1.27 0.00 0.00 60.65 59.22 2qeo h LYS 76 Cb 0.06 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2qeo h LYS 76 CO -0.03 0.65 -1.16 0.00 -2.27 0.00 0.00 179.45 176.64 2qeo h ILE 78 N 0.07 1.26 0.04 0.00 2.04 -0.72 -1.70 117.51 118.51 2qeo h ILE 78 Ca -0.10 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 64.99 2qeo h ILE 78 Cb 1.88 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2qeo h ILE 78 CO 0.18 0.33 -0.40 1.23 0.00 0.00 0.00 178.15 179.49 2qeo h GLY 79 N 1.17 -0.76 1.15 5.37 0.00 -0.67 -2.66 103.07 106.67 2qeo h GLY 79 Ca 0.27 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 48.08 2qeo h GLY 79 CO -0.03 -0.25 0.45 0.83 0.00 0.00 0.00 176.54 177.54 2qeo h GLU 80 N -0.58 1.11 -0.08 4.80 5.08 -0.96 -3.11 114.58 120.83 2qeo h GLU 80 Ca 0.04 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2qeo h GLU 80 Cb 0.65 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2qeo h GLU 80 CO -0.28 0.81 -0.46 0.00 -1.00 0.00 0.00 179.01 178.07 2qeo n VAL 82 N -3.98 0.12 -0.18 0.00 0.24 -1.02 -2.74 118.33 110.76 2qeo n VAL 82 Ca -0.02 0.03 0.06 0.00 -2.04 0.00 0.00 64.34 62.37 2qeo n VAL 82 Cb 0.51 -0.58 0.16 0.00 -1.47 0.00 0.00 33.84 32.46 2qeo n VAL 82 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qeo n GLN 83 N -1.28 2.83 -4.02 7.34 10.64 -1.16 -4.92 117.38 126.80 2qeo n GLN 83 Ca 0.13 -2.08 -0.23 0.00 -1.83 0.00 0.00 57.00 52.98 2qeo n GLN 83 Cb 0.21 -1.29 -0.03 0.00 -0.86 0.00 0.00 30.24 28.27 2qeo n GLN 83 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2qeo s VAL 84 N -1.00 4.95 0.98 -0.39 -7.23 -1.11 -5.11 120.40 111.49 2qeo s VAL 84 Ca 0.25 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.29 2qeo s VAL 84 Cb 0.13 -3.62 0.17 0.00 0.56 0.00 0.00 36.38 33.62 2qeo s VAL 84 CO 0.17 -0.23 1.04 -2.65 -0.31 0.00 0.00 175.10 173.12 2qeo n PRO 85 N -0.94 -0.88 -0.07 4.82 -0.02 -1.26 -4.77 135.00 131.88 2qeo n PRO 85 Ca -0.08 -0.20 -0.03 0.00 -2.02 0.00 0.00 63.50 61.17 2qeo n PRO 85 Cb 0.56 -2.28 0.19 0.00 -0.02 0.00 0.00 33.50 31.95 2qeo n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qeo h THR 86 N -2.04 1.24 -0.34 3.45 1.03 -1.93 -1.97 112.91 112.34 2qeo h THR 86 Ca -0.47 -1.00 0.10 0.00 -0.01 0.00 0.00 66.41 65.03 2qeo h THR 86 Cb 1.29 0.97 -0.01 0.00 -1.07 0.00 0.00 68.15 69.32 2qeo h THR 86 CO 0.42 0.34 0.41 0.77 -0.01 0.00 0.00 175.52 177.45 2qeo h SER 87 N 0.64 0.00 -0.00 0.00 4.64 -1.91 -2.88 113.55 114.04 2qeo h SER 87 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2qeo h SER 87 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2qeo h SER 87 CO 0.02 0.00 -0.23 1.21 -0.87 0.00 0.00 176.83 176.96 2qeo n GLU 88 N -3.63 2.77 -0.03 4.77 2.13 -0.76 -4.52 120.64 121.36 2qeo n GLU 88 Ca 0.06 -0.40 -0.15 0.00 0.66 0.00 0.00 57.16 57.32 2qeo n GLU 88 Cb 0.56 -0.99 -0.12 0.00 0.27 0.00 0.00 31.44 31.16 2qeo n GLU 88 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2qeo h ARG 89 N 0.69 0.13 -0.66 5.31 2.43 -1.27 -2.29 114.38 118.71 2qeo h ARG 89 Ca 0.00 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2qeo h ARG 89 Cb 0.26 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2qeo h ARG 89 CO 0.00 0.96 0.42 0.00 -1.51 0.00 0.00 179.97 179.84 2qeo h ALA 90 N 0.17 0.84 -0.39 2.80 0.00 -1.77 -1.08 119.26 119.84 2qeo h ALA 90 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2qeo h ALA 90 Cb 1.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2qeo h ALA 90 CO 0.04 0.22 0.23 1.25 0.00 0.00 0.00 179.25 180.99 2qeo h HIS 91 N 0.85 0.42 -0.80 0.00 -0.00 -1.79 -0.21 115.15 113.62 2qeo h HIS 91 Ca 0.25 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 2qeo h HIS 91 Cb -0.05 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 2qeo h HIS 91 CO -0.04 0.24 0.37 0.28 -0.00 0.00 0.00 177.93 178.79 2qeo h VAL 92 N 0.46 1.25 0.28 5.26 2.07 -1.22 0.33 116.25 124.68 2qeo h VAL 92 Ca 0.16 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2qeo h VAL 92 Cb 0.01 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2qeo h VAL 92 CO -0.08 0.31 -0.14 0.15 0.02 0.00 0.00 177.57 177.84 2qeo h PHE 93 N 1.14 -0.35 -0.70 1.57 3.57 -0.74 -1.04 116.94 120.39 2qeo h PHE 93 Ca 0.27 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.88 2qeo h PHE 93 Cb 0.15 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 38.88 2qeo h PHE 93 CO 0.01 -0.18 -0.37 -0.92 -2.23 0.00 0.00 178.31 174.62 2qeo h TYR 94 N -0.43 -1.06 -0.42 0.41 3.20 -0.77 -1.33 116.97 116.57 2qeo h TYR 94 Ca -0.04 0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2qeo h TYR 94 Cb 0.33 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2qeo h TYR 94 CO -0.04 -0.40 0.11 0.87 -1.64 0.00 0.00 178.16 177.06 2qeo h LYS 95 N -0.13 0.66 -0.22 1.82 1.57 -0.15 -1.13 116.57 118.99 2qeo h LYS 95 Ca 0.25 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2qeo h LYS 95 Cb 0.56 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2qeo h LYS 95 CO -0.77 0.67 0.05 0.00 -0.57 0.00 0.00 179.45 178.82 2qeo h LEU 97 N 0.14 0.34 -1.31 0.00 3.38 -1.06 -0.60 115.31 116.20 2qeo h LEU 97 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2qeo h LEU 97 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2qeo h LEU 97 CO -0.13 0.25 0.23 -0.07 0.09 0.00 0.00 178.44 178.81 2qeo h LEU 98 N 0.40 0.63 0.00 1.67 3.38 -0.95 -0.30 115.31 120.14 2qeo h LEU 98 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qeo h LEU 98 Cb -0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2qeo h LEU 98 CO -0.03 0.55 -0.20 0.11 0.09 0.00 0.00 178.44 178.97 2qeo h LYS 99 N 0.70 0.00 -7.60 1.13 1.57 -0.68 -3.39 116.57 108.30 2qeo h LYS 99 Ca 0.18 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.50 2qeo h LYS 99 Cb 0.10 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.54 2qeo h LYS 99 CO -0.02 0.00 0.33 -1.54 -0.57 0.00 0.00 179.45 177.64 2qeo s SER 100 N -5.81 3.58 0.36 0.86 1.04 -0.27 -4.95 113.70 108.51 2qeo s SER 100 Ca 0.06 0.11 0.27 0.00 0.48 0.00 0.00 55.95 56.87 2qeo s SER 100 Cb 0.07 -0.29 1.15 0.00 0.10 0.00 0.00 66.02 67.05 2qeo s SER 100 CO 0.68 -2.41 1.81 0.00 0.98 0.00 0.00 173.24 174.30 2qeo h THR 101 N -1.26 0.00 0.00 2.02 1.03 -1.89 -2.53 112.91 110.27 2qeo h THR 101 Ca -0.42 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.70 2qeo h THR 101 Cb 1.25 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 2qeo h THR 101 CO 0.41 0.00 -0.68 0.74 -0.01 0.00 0.00 175.52 175.98 2qeo h THR 102 N 0.00 0.00 -0.94 0.00 2.02 -1.90 -3.37 112.91 108.71 2qeo h THR 102 Ca 0.00 -0.96 0.18 0.00 0.77 0.00 0.00 66.41 66.40 2qeo h THR 102 Cb 0.36 1.61 -0.17 0.00 -1.74 0.00 0.00 68.15 68.21 2qeo h THR 102 CO 0.00 0.00 -0.28 1.23 0.37 0.00 0.00 175.52 176.84 2qeo h GLY 103 N 4.04 0.50 -0.01 2.16 0.00 -0.62 0.28 103.07 109.42 2qeo h GLY 103 Ca 0.00 0.37 0.20 0.00 0.00 0.00 0.00 47.33 47.90 2qeo h GLY 103 CO 0.00 -0.31 0.49 -0.09 0.00 0.00 0.00 176.54 176.62 2qeo h ARG 104 N -0.01 0.55 0.08 4.80 2.43 -1.80 -0.97 114.38 119.46 2qeo h ARG 104 Ca 0.42 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 59.25 2qeo h ARG 104 Cb 0.66 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2qeo h ARG 104 CO -0.97 0.36 -1.59 1.15 -1.51 0.00 0.00 179.97 177.42 2qeo h THR 105 N 0.57 1.06 -0.77 0.20 2.02 -1.17 -3.33 112.91 111.49 2qeo h THR 105 Ca 0.56 -2.77 0.13 0.00 0.77 0.00 0.00 66.41 65.10 2qeo h THR 105 Cb 0.96 2.65 -0.09 0.00 -1.74 0.00 0.00 68.15 69.93 2qeo h THR 105 CO -0.45 0.76 0.35 0.15 0.37 0.00 0.00 175.52 176.71 2qeo h PHE 106 N 0.05 0.61 -0.77 3.16 3.57 0.14 -1.11 116.94 122.59 2qeo h PHE 106 Ca -0.26 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.28 2qeo h PHE 106 Cb 2.00 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.54 2qeo h PHE 106 CO 0.04 0.13 0.51 0.87 -2.23 0.00 0.00 178.31 177.63 2qeo h LYS 107 N 0.53 1.01 -0.54 1.11 1.57 -1.32 0.19 116.57 119.12 2qeo h LYS 107 Ca 0.41 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 2qeo h LYS 107 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2qeo h LYS 107 CO -0.36 0.67 0.20 0.87 -0.57 0.00 0.00 179.45 180.26 2qeo h LYS 108 N 1.04 0.81 -0.52 3.15 1.57 -1.47 -0.74 116.57 120.40 2qeo h LYS 108 Ca 0.28 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2qeo h LYS 108 Cb -0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2qeo h LYS 108 CO -0.06 0.72 -0.12 0.28 -0.57 0.00 0.00 179.45 179.70 2qeo h VAL 109 N 0.73 1.27 -0.13 0.50 2.07 -0.80 -1.62 116.25 118.27 2qeo h VAL 109 Ca 0.18 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2qeo h VAL 109 Cb 0.22 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2qeo h VAL 109 CO -0.01 0.44 0.08 0.15 0.02 0.00 0.00 177.57 178.25 2qeo h PHE 110 N 0.88 0.17 -0.28 1.57 3.04 -0.51 -1.80 116.94 120.01 2qeo h PHE 110 Ca 0.14 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.10 2qeo h PHE 110 Cb 0.67 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 2qeo h PHE 110 CO 0.04 0.12 0.14 -0.44 -2.02 0.00 0.00 178.31 176.16 2qeo h ASP 111 N 0.16 0.22 0.11 0.41 3.32 -0.89 -0.42 116.42 119.33 2qeo h ASP 111 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2qeo h ASP 111 Cb -0.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2qeo h ASP 111 CO -0.01 0.16 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.50 2qeo h LEU 112 N 0.30 -0.27 -1.08 1.55 3.38 -1.21 -2.16 115.31 115.82 2qeo h LEU 112 Ca 0.11 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2qeo h LEU 112 Cb 0.03 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2qeo h LEU 112 CO -0.07 -0.16 0.62 -0.03 0.09 0.00 0.00 178.44 178.88 2qeo h MET 113 N -0.24 1.02 0.09 1.13 4.05 -1.06 0.20 114.93 120.13 2qeo h MET 113 Ca 0.00 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2qeo h MET 113 Cb 0.22 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2qeo h MET 113 CO -0.03 0.68 -0.14 1.49 0.23 0.00 0.00 176.91 179.14 2qeo h GLU 114 N 1.05 -0.27 0.00 0.39 4.81 -0.55 0.02 114.58 120.03 2qeo h GLU 114 Ca 0.43 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 2qeo h GLU 114 Cb 0.28 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2qeo h GLU 114 CO -0.19 -0.18 -0.03 -0.07 -0.73 0.00 0.00 179.01 177.82 2qeo h LEU 115 N -0.29 0.00 0.18 1.64 3.38 -1.07 -2.64 115.31 116.52 2qeo h LEU 115 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qeo h LEU 115 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qeo h LEU 115 CO -0.07 0.03 -0.09 0.11 0.09 0.00 0.00 178.44 178.50 2qeo h LYS 116 N 0.00 -0.23 0.00 1.13 1.57 -0.25 -0.09 116.57 118.69 2qeo h LYS 116 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2qeo h LYS 116 Cb 0.91 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2qeo h LYS 116 CO 0.00 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.58 2qeo n LYS 117 N -5.06 0.02 0.00 3.15 5.02 -0.04 -1.86 118.16 119.39 2qeo n LYS 117 Ca -0.09 0.24 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 2qeo n LYS 117 Cb 0.22 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 2qeo n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qeo n ALA 118 N -1.53 4.03 -0.92 7.82 0.00 -1.00 -4.98 120.51 123.92 2qeo n ALA 118 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2qeo n ALA 118 Cb 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2qeo n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qeo n GLY 119 N 1.42 0.46 0.09 0.00 0.00 -0.71 -4.94 105.19 101.51 2qeo n GLY 119 Ca 0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 2qeo n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qeo h LYS 120 N 0.00 0.00 -4.85 1.61 1.79 -1.29 -3.46 116.57 110.37 2qeo h LYS 120 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 2qeo h LYS 120 Cb 0.05 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.52 2qeo h LYS 120 CO 0.00 0.66 -0.73 0.14 -1.08 0.00 0.00 179.45 178.44 2qeo s VAL 121 N -2.76 0.83 0.69 0.50 -7.23 -1.15 -5.04 120.40 106.23 2qeo s VAL 121 Ca -0.00 -1.56 -0.15 0.00 -1.81 0.00 0.00 61.98 58.46 2qeo s VAL 121 Cb 0.09 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.80 2qeo s VAL 121 CO 0.81 -0.56 1.14 -2.16 -0.31 0.00 0.00 175.10 174.02 2qeo s PRO 122 N -2.67 2.56 0.00 4.82 0.04 -1.26 -4.49 135.00 134.00 2qeo s PRO 122 Ca 0.03 1.51 0.12 0.00 0.04 0.00 0.00 61.00 62.70 2qeo s PRO 122 Cb -0.03 -1.91 0.58 0.00 0.04 0.00 0.00 34.50 33.18 2qeo s PRO 122 CO -0.01 -1.46 1.27 1.04 0.04 0.00 0.00 177.00 177.88 2qeo n GLN 123 N -2.54 0.17 -0.12 4.56 1.13 -1.26 -0.12 117.38 119.20 2qeo n GLN 123 Ca 0.11 0.17 0.06 0.00 -1.94 0.00 0.00 57.00 55.41 2qeo n GLN 123 Cb 0.51 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.49 2qeo n GLN 123 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 2qeo n HIS 124 N -1.28 0.31 -1.57 1.08 1.44 -1.26 -5.02 115.22 108.92 2qeo n HIS 124 Ca 0.05 -0.30 -0.54 0.00 -2.01 0.00 0.00 57.72 54.92 2qeo n HIS 124 Cb 0.09 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.12 2qeo n HIS 124 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2qeo n GLN 125 N 0.66 0.82 -2.64 -1.40 -0.06 0.84 -4.99 117.38 110.60 2qeo n GLN 125 Ca 0.11 0.29 -0.23 0.00 -2.00 0.00 0.00 57.00 55.17 2qeo n GLN 125 Cb 0.39 -1.90 0.09 0.00 -4.06 0.00 0.00 30.24 24.77 2qeo n GLN 125 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2qeo s ARG 126 N 0.51 1.86 -1.15 3.69 0.52 -1.26 -5.03 118.95 118.09 2qeo s ARG 126 Ca 0.87 -1.13 -0.14 0.00 -0.52 0.00 0.00 55.73 54.81 2qeo s ARG 126 Cb -1.05 -2.39 0.18 0.00 0.52 0.00 0.00 34.95 32.21 2qeo s ARG 126 CO 0.51 -1.29 1.34 -0.47 0.02 0.00 0.00 175.30 175.41 2qeo s TYR 127 N -3.04 3.53 0.31 -0.53 5.04 -1.26 -4.78 117.35 116.63 2qeo s TYR 127 Ca 0.65 -2.08 0.05 0.00 -2.44 0.00 0.00 57.07 53.25 2qeo s TYR 127 Cb -0.06 -4.25 -0.02 0.00 0.35 0.00 0.00 41.96 37.99 2qeo s TYR 127 CO 0.43 -1.35 0.46 0.95 -1.34 0.00 0.00 175.55 174.69 2qeo s THR 128 N 1.41 4.54 0.34 4.34 -4.23 -1.26 -4.95 115.64 115.83 2qeo s THR 128 Ca 0.39 -0.92 0.14 0.00 -1.18 0.00 0.00 61.69 60.12 2qeo s THR 128 Cb -0.04 -3.60 0.34 0.00 1.34 0.00 0.00 72.50 70.54 2qeo s THR 128 CO -0.02 -0.26 1.64 0.00 -0.54 0.00 0.00 174.62 175.43 2qeo h ALA 129 N 0.93 1.87 -0.33 3.99 0.00 -2.00 -0.99 119.26 122.73 2qeo h ALA 129 Ca -0.48 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2qeo h ALA 129 Cb 1.24 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2qeo h ALA 129 CO 0.56 -0.65 -0.08 1.49 0.00 0.00 0.00 179.25 180.58 2qeo h GLU 130 N 0.21 0.64 -0.30 0.00 4.81 -1.97 -2.86 114.58 115.11 2qeo h GLU 130 Ca 0.73 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.76 2qeo h GLU 130 Cb 1.71 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 31.01 2qeo h GLU 130 CO -0.67 0.81 0.03 0.35 -0.73 0.00 0.00 179.01 178.80 2qeo h PHE 131 N 0.42 0.04 -0.40 0.92 3.57 -1.59 -1.23 116.94 118.67 2qeo h PHE 131 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2qeo h PHE 131 Cb 0.58 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2qeo h PHE 131 CO 0.05 -0.02 0.26 -0.39 -2.23 0.00 0.00 178.31 175.98 2qeo h VAL 132 N 0.13 1.12 -0.93 1.41 -1.51 -1.09 0.20 116.25 115.57 2qeo h VAL 132 Ca 0.14 -0.24 0.18 0.00 -1.23 0.00 0.00 66.70 65.56 2qeo h VAL 132 Cb 0.17 0.55 -0.11 0.00 -2.13 0.00 0.00 31.29 29.78 2qeo h VAL 132 CO -0.22 0.11 0.51 -0.61 -1.23 0.00 0.00 177.57 176.14 2qeo h GLN 133 N 0.54 0.63 -0.51 5.19 5.75 -1.45 0.01 115.11 125.27 2qeo h GLN 133 Ca 0.15 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 2qeo h GLN 133 Cb -0.03 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 2qeo h GLN 133 CO -0.03 0.42 0.08 0.82 -2.65 0.00 0.00 178.83 177.47 2qeo h ILE 134 N 0.65 1.23 0.00 2.39 2.04 0.53 -1.63 117.51 122.71 2qeo h ILE 134 Ca 0.54 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 2qeo h ILE 134 Cb 0.86 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2qeo h ILE 134 CO -0.40 0.31 -0.67 -0.03 0.00 0.00 0.00 178.15 177.36 2qeo h MET 135 N 0.76 0.00 -0.19 2.37 4.05 0.37 -2.35 114.93 119.94 2qeo h MET 135 Ca 0.16 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 2qeo h MET 135 Cb 0.34 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2qeo h MET 135 CO 0.01 0.67 -0.00 0.87 0.23 0.00 0.00 176.91 178.68 2qeo h LYS 136 N 0.00 0.33 -0.08 0.39 1.57 -0.54 -1.24 116.57 117.01 2qeo h LYS 136 Ca -0.01 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2qeo h LYS 136 Cb 1.24 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2qeo h LYS 136 CO 0.09 0.54 -0.32 -0.44 -0.57 0.00 0.00 179.45 178.74 2qeo h ASP 137 N 0.08 0.15 -0.31 0.86 3.32 -1.28 0.78 116.42 120.02 2qeo h ASP 137 Ca 0.05 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2qeo h ASP 137 Cb 0.39 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2qeo h ASP 137 CO 0.01 0.47 -0.20 0.22 -1.72 0.00 0.00 179.24 178.02 2qeo h TYR 138 N 0.13 0.80 -0.42 4.55 5.03 -1.35 -2.79 116.97 122.92 2qeo h TYR 138 Ca 0.02 -0.21 -0.11 0.00 2.58 0.00 0.00 58.73 61.01 2qeo h TYR 138 Cb 0.64 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2qeo h TYR 138 CO 0.01 0.93 -0.16 -0.44 -1.32 0.00 0.00 178.16 177.18 2qeo h ASP 139 N 0.44 0.87 -0.77 -2.11 3.32 -0.93 -3.04 116.42 114.20 2qeo h ASP 139 Ca 0.06 -0.39 0.15 0.00 0.02 0.00 0.00 57.03 56.88 2qeo h ASP 139 Cb 0.75 -0.24 -0.10 0.00 0.22 0.00 0.00 39.33 39.96 2qeo h ASP 139 CO 0.06 1.06 0.31 0.50 -1.72 0.00 0.00 179.24 179.44 2qeo h LYS 140 N 0.67 0.43 0.00 3.56 3.64 -0.82 0.15 116.57 124.20 2qeo h LYS 140 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2qeo h LYS 140 Cb 0.71 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2qeo h LYS 140 CO 0.05 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 2qeo n ALA 141 N -2.52 1.40 0.45 5.00 0.00 -1.06 -0.88 120.51 122.90 2qeo n ALA 141 Ca 0.15 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.73 2qeo n ALA 141 Cb 0.44 -1.24 0.15 0.00 0.00 0.00 0.00 19.45 18.80 2qeo n ALA 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qeo n LEU 142 N -1.83 3.01 0.00 0.00 4.77 0.37 -4.94 117.00 118.38 2qeo n LEU 142 Ca 0.01 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2qeo n LEU 142 Cb 0.12 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2qeo n LEU 142 CO 0.11 0.61 0.00 -3.20 -1.33 0.00 0.00 177.39 173.59 2qeo n ASN 143 N 1.20 -1.86 -0.51 -1.43 5.15 -0.06 -5.02 115.26 112.72 2qeo n ASN 143 Ca 0.15 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.19 2qeo n ASN 143 Cb 0.52 -0.31 0.05 0.00 -0.53 0.00 0.00 39.78 39.52 2qeo n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66