#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdl s LEU 2 N 0.00 4.00 0.00 0.64 1.43 -1.26 -5.01 118.68 118.49 3hdl s LEU 2 Ca 0.00 2.75 0.02 0.00 -1.03 0.00 0.00 54.13 55.88 3hdl s LEU 2 Cb 0.00 -4.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 3hdl s LEU 2 CO 0.00 -1.27 -0.08 -1.10 0.23 0.00 0.00 176.35 174.13 3hdl s GLN 3 N -2.64 0.60 0.27 1.70 -1.52 -0.68 -4.77 119.66 112.61 3hdl s GLN 3 Ca 0.65 -0.35 -0.30 0.00 -1.95 0.00 0.00 55.36 53.41 3hdl s GLN 3 Cb -0.40 -0.56 -0.11 0.00 -0.22 0.00 0.00 33.01 31.72 3hdl s GLN 3 CO 0.49 0.15 1.58 0.42 -0.25 0.00 0.00 175.29 177.68 3hdl s ILE 4 N -0.36 2.22 -0.69 1.08 1.01 -1.26 -0.98 121.20 122.21 3hdl s ILE 4 Ca 0.01 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 3hdl s ILE 4 Cb -0.04 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.32 3hdl s ILE 4 CO -0.00 0.03 0.27 0.61 0.00 0.00 0.00 174.94 175.85 3hdl n GLY 5 N 2.49 0.15 0.42 6.18 0.00 -1.26 -4.90 105.19 108.27 3hdl n GLY 5 Ca 0.09 -0.38 0.23 0.00 0.00 0.00 0.00 46.02 45.96 3hdl n GLY 5 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hdl h PHE 6 N -0.62 0.26 -0.53 1.61 3.57 -1.78 -0.84 116.94 118.62 3hdl h PHE 6 Ca -0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3hdl h PHE 6 Cb 1.16 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3hdl h PHE 6 CO 0.23 0.07 0.00 0.66 -2.23 0.00 0.00 178.31 177.04 3hdl n TYR 7 N -4.40 1.46 -0.32 0.41 4.01 -1.26 -4.57 117.16 112.49 3hdl n TYR 7 Ca 0.18 -0.55 0.19 0.00 -0.16 0.00 0.00 57.90 57.56 3hdl n TYR 7 Cb 0.78 -0.31 0.38 0.00 -0.31 0.00 0.00 39.34 39.88 3hdl n TYR 7 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3hdl h ASN 8 N 3.44 0.06 0.00 7.72 2.35 -1.41 -0.28 115.58 127.46 3hdl h ASN 8 Ca 0.00 0.22 -0.41 0.00 -0.55 0.00 0.00 56.30 55.57 3hdl h ASN 8 Cb 1.46 0.29 -0.07 0.00 0.05 0.00 0.00 38.32 40.05 3hdl h ASN 8 CO 0.28 -0.24 -2.44 0.41 -1.65 0.00 0.00 177.43 173.79 3hdl n THR 9 N -5.25 1.43 0.16 2.81 -1.04 -1.26 -4.10 114.28 107.03 3hdl n THR 9 Ca 0.27 -0.46 0.04 0.00 -2.04 0.00 0.00 64.05 61.85 3hdl n THR 9 Cb 0.86 -1.60 0.19 0.00 -1.82 0.00 0.00 70.33 67.96 3hdl n THR 9 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3hdl h SER 10 N -0.45 0.00 -0.89 8.00 4.64 -1.81 -3.39 113.55 119.65 3hdl h SER 10 Ca -0.61 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.53 3hdl h SER 10 Cb 1.73 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.65 3hdl h SER 10 CO -0.24 0.47 -0.51 0.00 -0.87 0.00 0.00 176.83 175.68 3hdl h PRO 12 N 4.86 0.19 -0.73 0.00 0.11 -1.65 -1.44 132.00 133.34 3hdl h PRO 12 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3hdl h PRO 12 Cb 1.09 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hdl h PRO 12 CO 0.08 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.24 3hdl n THR 13 N -4.42 0.98 -0.10 -1.15 -2.24 -1.26 -4.63 114.28 101.46 3hdl n THR 13 Ca 0.11 -0.99 -0.07 0.00 -2.27 0.00 0.00 64.05 60.84 3hdl n THR 13 Cb 0.55 0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3hdl n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hdl h ALA 14 N 4.34 -0.04 -0.09 6.98 0.00 -1.61 -1.03 119.26 127.81 3hdl h ALA 14 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3hdl h ALA 14 Cb 1.00 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3hdl h ALA 14 CO 0.00 -0.64 -0.55 0.93 0.00 0.00 0.00 179.25 178.99 3hdl h GLU 15 N -0.20 0.27 -0.45 0.00 5.08 -1.82 -2.55 114.58 114.92 3hdl h GLU 15 Ca 0.18 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3hdl h GLU 15 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3hdl h GLU 15 CO -0.48 0.75 -0.23 1.03 -1.00 0.00 0.00 179.01 179.08 3hdl h SER 16 N 0.21 0.95 -0.64 1.42 0.87 -1.79 -1.66 113.55 112.91 3hdl h SER 16 Ca 0.00 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 3hdl h SER 16 Cb 1.04 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 3hdl h SER 16 CO 0.09 1.14 0.31 -0.07 -0.53 0.00 0.00 176.83 177.76 3hdl h LEU 17 N 0.80 0.84 -0.29 2.23 3.38 -1.02 -0.85 115.31 120.40 3hdl h LEU 17 Ca 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hdl h LEU 17 Cb 0.80 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hdl h LEU 17 CO 0.07 0.74 0.06 0.58 0.09 0.00 0.00 178.44 179.98 3hdl h VAL 18 N 0.88 1.22 -0.73 1.22 2.07 -1.38 -2.35 116.25 117.19 3hdl h VAL 18 Ca 0.22 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3hdl h VAL 18 Cb 0.12 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3hdl h VAL 18 CO -0.03 0.24 0.46 -0.61 0.02 0.00 0.00 177.57 177.66 3hdl h GLN 19 N 0.30 0.97 -0.21 1.57 -0.00 -1.00 -0.33 115.11 116.40 3hdl h GLN 19 Ca 0.09 -0.07 -0.14 0.00 -0.00 0.00 0.00 58.65 58.53 3hdl h GLN 19 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 3hdl h GLN 19 CO 0.00 0.66 -0.44 1.96 0.00 0.00 0.00 178.83 181.01 3hdl h GLN 20 N 0.99 0.52 -0.44 1.69 4.20 -1.02 0.11 115.11 121.15 3hdl h GLN 20 Ca 0.26 -0.28 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3hdl h GLN 20 Cb -0.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3hdl h GLN 20 CO -0.05 0.86 -0.20 0.00 -0.67 0.00 0.00 178.83 178.77 3hdl h ALA 21 N 1.10 0.62 -0.35 3.87 0.00 -0.81 -1.76 119.26 121.93 3hdl h ALA 21 Ca 0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3hdl h ALA 21 Cb 0.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3hdl h ALA 21 CO 0.08 0.58 -0.06 0.28 0.00 0.00 0.00 179.25 180.13 3hdl h VAL 22 N 0.74 1.27 -0.71 0.00 2.07 -0.90 -1.90 116.25 116.83 3hdl h VAL 22 Ca 0.10 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3hdl h VAL 22 Cb 0.76 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3hdl h VAL 22 CO 0.06 0.36 0.44 0.00 0.02 0.00 0.00 177.57 178.45 3hdl h ALA 23 N 0.83 0.90 -0.46 1.67 0.00 -0.76 0.10 119.26 121.54 3hdl h ALA 23 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hdl h ALA 23 Cb 0.55 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hdl h ALA 23 CO 0.03 0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.83 3hdl h ALA 24 N 1.23 0.60 -0.32 0.00 0.00 -1.24 -1.66 119.26 117.88 3hdl h ALA 24 Ca 0.26 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3hdl h ALA 24 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hdl h ALA 24 CO -0.05 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.23 3hdl h ALA 25 N 1.03 1.12 -0.41 0.00 0.00 -0.96 -2.76 119.26 117.29 3hdl h ALA 25 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3hdl h ALA 25 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hdl h ALA 25 CO -0.01 0.55 -0.28 0.35 0.00 0.00 0.00 179.25 179.86 3hdl h PHE 26 N 0.51 1.01 -0.64 0.00 3.57 -0.55 0.12 116.94 120.96 3hdl h PHE 26 Ca 0.09 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 3hdl h PHE 26 Cb 0.59 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3hdl h PHE 26 CO 0.02 1.04 0.33 0.00 -2.23 0.00 0.00 178.31 177.47 3hdl h ALA 27 N 0.94 1.36 -0.20 2.41 0.00 -1.19 -2.78 119.26 119.81 3hdl h ALA 27 Ca 0.09 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3hdl h ALA 27 Cb 0.83 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hdl h ALA 27 CO 0.07 0.51 -0.56 -0.97 0.00 0.00 0.00 179.25 178.30 3hdl h ASN 28 N 0.90 0.83 -1.53 0.00 -1.24 -1.16 -3.44 115.58 109.94 3hdl h ASN 28 Ca 0.23 -0.58 -0.06 0.00 0.71 0.00 0.00 56.30 56.59 3hdl h ASN 28 Cb 0.07 -0.24 -0.26 0.00 0.73 0.00 0.00 38.32 38.61 3hdl h ASN 28 CO -0.03 1.26 -0.41 0.21 -1.29 0.00 0.00 177.43 177.17 3hdl s ASN 29 N -6.84 -0.39 0.50 1.15 2.47 0.38 -5.02 114.94 107.18 3hdl s ASN 29 Ca -0.11 0.39 0.34 0.00 0.42 0.00 0.00 52.86 53.89 3hdl s ASN 29 Cb 0.08 1.52 1.64 0.00 -1.45 0.00 0.00 41.25 43.03 3hdl s ASN 29 CO 0.87 -0.29 2.01 0.77 -3.72 0.00 0.00 177.10 176.74 3hdl h SER 30 N 8.11 0.00 0.42 -4.21 4.64 -1.75 -2.51 113.55 118.25 3hdl h SER 30 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3hdl h SER 30 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3hdl h SER 30 CO 0.26 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.45 3hdl h GLY 31 N 1.01 0.00 2.00 -0.77 0.00 -1.92 -2.53 103.07 100.86 3hdl h GLY 31 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3hdl h GLY 31 CO 0.00 0.00 -0.14 0.16 0.00 0.00 0.00 176.54 176.56 3hdl h ILE 32 N 0.00 0.40 0.56 2.60 -0.00 -1.77 -2.19 117.51 117.11 3hdl h ILE 32 Ca 0.00 -0.77 -0.03 0.00 -0.00 0.00 0.00 64.86 64.06 3hdl h ILE 32 Cb 0.21 1.56 0.01 0.00 -0.00 0.00 0.00 36.82 38.59 3hdl h ILE 32 CO 0.00 0.13 -0.27 0.00 -0.00 0.00 0.00 178.15 178.01 3hdl h ALA 33 N 1.86 -0.76 -0.55 0.16 0.00 -1.69 -0.03 119.26 118.25 3hdl h ALA 33 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hdl h ALA 33 Cb 0.54 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hdl h ALA 33 CO 0.02 -0.80 0.23 -1.00 0.00 0.00 0.00 179.25 177.70 3hdl h PRO 34 N -1.02 0.79 -0.42 0.00 0.13 -1.75 -2.22 132.00 127.52 3hdl h PRO 34 Ca -0.08 -0.11 0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3hdl h PRO 34 Cb 0.65 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.57 3hdl h PRO 34 CO 0.13 0.64 0.04 0.78 -0.23 0.00 0.00 178.00 179.36 3hdl h GLY 35 N 0.91 0.46 1.47 1.56 0.00 -1.26 -0.76 103.07 105.45 3hdl h GLY 35 Ca 0.19 0.01 -0.20 0.00 0.00 0.00 0.00 47.33 47.33 3hdl h GLY 35 CO -0.02 -0.08 -0.77 1.41 0.00 0.00 0.00 176.54 177.09 3hdl h LEU 36 N 0.16 0.62 -0.35 3.11 3.38 -0.74 -0.22 115.31 121.26 3hdl h LEU 36 Ca 0.21 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3hdl h LEU 36 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hdl h LEU 36 CO -0.31 1.18 0.12 0.40 0.09 0.00 0.00 178.44 179.92 3hdl h ILE 37 N 0.35 1.20 -0.62 1.22 2.04 -1.21 -0.95 117.51 119.54 3hdl h ILE 37 Ca -0.04 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 3hdl h ILE 37 Cb 1.36 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 3hdl h ILE 37 CO 0.14 0.22 0.10 -0.09 0.00 0.00 0.00 178.15 178.52 3hdl h ARG 38 N 0.41 1.00 -0.79 2.37 2.43 -1.09 -2.07 114.38 116.64 3hdl h ARG 38 Ca 0.11 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3hdl h ARG 38 Cb 0.22 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3hdl h ARG 38 CO -0.01 0.92 0.41 1.98 -1.51 0.00 0.00 179.97 181.76 3hdl h MET 39 N 0.94 1.11 -0.56 0.20 4.05 -0.78 -0.17 114.93 119.73 3hdl h MET 39 Ca 0.19 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 3hdl h MET 39 Cb 0.40 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3hdl h MET 39 CO 0.01 0.84 0.11 1.25 0.23 0.00 0.00 176.91 179.36 3hdl h HIS 40 N 1.10 0.96 -0.26 1.39 -0.00 -0.93 0.33 115.15 117.74 3hdl h HIS 40 Ca 0.27 -0.12 0.05 0.00 -0.00 0.00 0.00 60.37 60.57 3hdl h HIS 40 Cb 0.07 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.17 3hdl h HIS 40 CO 0.01 0.84 -0.02 0.35 -0.00 0.00 0.00 177.93 179.10 3hdl h PHE 41 N 0.80 -0.05 0.00 5.26 3.57 -1.00 -0.39 116.94 125.13 3hdl h PHE 41 Ca 0.17 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3hdl h PHE 41 Cb 0.38 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3hdl h PHE 41 CO 0.03 -0.06 -0.32 0.45 -2.23 0.00 0.00 178.31 176.17 3hdl h HIS 42 N 0.05 0.00 0.45 0.41 3.86 -0.66 -1.51 115.15 117.76 3hdl h HIS 42 Ca 0.12 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3hdl h HIS 42 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3hdl h HIS 42 CO -0.22 0.32 -0.22 0.22 0.86 0.00 0.00 177.93 178.89 3hdl h ASP 43 N 0.00 -0.52 0.31 2.45 3.58 -0.43 -3.27 116.42 118.54 3hdl h ASP 43 Ca -0.00 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 3hdl h ASP 43 Cb 0.60 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 3hdl h ASP 43 CO 0.04 -0.22 -0.13 0.00 -2.88 0.00 0.00 179.24 176.05 3hdl n PHE 45 N -3.77 0.00 -3.82 0.00 3.01 -0.63 -3.48 117.46 108.77 3hdl n PHE 45 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.15 3hdl n PHE 45 Cb 0.23 -0.03 -0.16 0.00 -0.01 0.00 0.00 39.48 39.52 3hdl n PHE 45 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hdl s VAL 46 N -2.09 1.00 -1.96 -4.37 1.01 -0.96 -4.72 120.40 108.31 3hdl s VAL 46 Ca 0.38 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3hdl s VAL 46 Cb 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3hdl s VAL 46 CO 0.37 -0.22 0.00 0.54 0.00 0.00 0.00 175.10 175.79 3hdl n ARG 47 N 4.86 -1.57 -0.49 2.72 1.74 -1.26 -4.76 116.66 117.90 3hdl n ARG 47 Ca -0.09 1.10 0.07 0.00 -0.77 0.00 0.00 57.85 58.16 3hdl n ARG 47 Cb 0.45 -5.64 -0.02 0.00 -1.02 0.00 0.00 32.46 26.23 3hdl n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hdl n GLY 48 N -0.76 -1.81 3.57 -0.13 0.00 -1.23 -4.45 105.19 100.38 3hdl n GLY 48 Ca -0.23 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 3hdl n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdl n ASP 50 N 10.69 1.28 -0.84 0.00 5.75 -1.26 -4.64 116.55 127.53 3hdl n ASP 50 Ca 0.47 -2.49 -0.11 0.00 -0.01 0.00 0.00 54.79 52.66 3hdl n ASP 50 Cb 0.46 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 3hdl n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hdl n ALA 51 N -0.74 -0.17 0.00 2.12 0.00 -1.26 -1.10 120.51 119.37 3hdl n ALA 51 Ca 0.08 0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.72 3hdl n ALA 51 Cb 0.63 -1.67 0.39 0.00 0.00 0.00 0.00 19.45 18.81 3hdl n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hdl h SER 52 N 0.00 0.47 0.21 0.00 4.64 -1.86 -2.12 113.55 114.89 3hdl h SER 52 Ca -0.22 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3hdl h SER 52 Cb 1.08 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3hdl h SER 52 CO 0.33 0.40 -0.02 1.62 -0.87 0.00 0.00 176.83 178.29 3hdl h VAL 53 N 0.54 0.16 0.00 0.95 3.04 -1.89 -2.69 116.25 116.35 3hdl h VAL 53 Ca 0.14 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3hdl h VAL 53 Cb 0.04 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 3hdl h VAL 53 CO -0.02 0.02 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.42 3hdl h LEU 54 N 0.00 0.00 -9.52 3.16 3.38 -1.66 -3.39 115.31 107.28 3hdl h LEU 54 Ca -0.00 -0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.42 3hdl h LEU 54 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hdl h LEU 54 CO 0.00 0.01 0.56 -0.76 0.09 0.00 0.00 178.44 178.34 3hdl s LEU 55 N -4.74 4.39 0.45 1.67 1.43 -1.02 -4.26 118.68 116.59 3hdl s LEU 55 Ca 0.10 2.06 -0.22 0.00 -1.03 0.00 0.00 54.13 55.03 3hdl s LEU 55 Cb 0.11 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 3hdl s LEU 55 CO 0.62 -0.44 1.07 -1.81 0.23 0.00 0.00 176.35 176.02 3hdl s ASP 56 N 0.85 6.46 0.65 2.29 1.01 -0.31 -4.47 116.67 123.15 3hdl s ASP 56 Ca 0.57 2.06 -0.17 0.00 0.71 0.00 0.00 52.55 55.72 3hdl s ASP 56 Cb -0.30 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.05 3hdl s ASP 56 CO 0.31 -0.70 1.20 -0.44 0.21 0.00 0.00 175.17 175.74 3hdl s SER 57 N -1.68 4.80 0.44 0.27 0.01 -1.26 -4.76 113.70 111.52 3hdl s SER 57 Ca 0.63 2.33 0.03 0.00 1.31 0.00 0.00 55.95 60.25 3hdl s SER 57 Cb -0.21 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.41 3hdl s SER 57 CO 0.26 -1.85 0.12 0.42 0.41 0.00 0.00 173.24 172.60 3hdl s THR 58 N -1.84 0.60 0.42 1.44 -4.23 0.15 -4.95 115.64 107.24 3hdl s THR 58 Ca 0.75 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.41 3hdl s THR 58 Cb -0.29 -2.25 0.35 0.00 1.34 0.00 0.00 72.50 71.65 3hdl s THR 58 CO 0.39 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.40 3hdl h ALA 59 N 1.66 2.07 -0.14 3.99 0.00 -2.05 -2.71 119.26 122.08 3hdl h ALA 59 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hdl h ALA 59 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hdl h ALA 59 CO 0.57 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.66 3hdl n ASN 60 N -4.48 2.38 -3.65 0.00 3.02 -1.26 -4.94 115.26 106.32 3hdl n ASN 60 Ca 0.14 -1.68 -0.13 0.00 -0.03 0.00 0.00 54.58 52.88 3hdl n ASN 60 Cb 0.49 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.45 3hdl n ASN 60 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hdl s ASN 61 N -1.02 0.26 -0.47 6.41 2.47 -1.02 -5.11 114.94 116.45 3hdl s ASN 61 Ca 0.18 0.65 -0.20 0.00 0.42 0.00 0.00 52.86 53.91 3hdl s ASN 61 Cb 0.11 0.83 0.04 0.00 -1.45 0.00 0.00 41.25 40.78 3hdl s ASN 61 CO 0.16 -0.24 0.66 -0.89 -3.72 0.00 0.00 177.10 173.07 3hdl s THR 62 N 2.46 4.80 0.80 -5.21 2.01 -1.26 -0.67 115.64 118.57 3hdl s THR 62 Ca 0.01 -0.10 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 3hdl s THR 62 Cb -0.12 -4.27 0.11 0.00 0.01 0.00 0.00 72.50 68.22 3hdl s THR 62 CO -0.10 -0.72 1.14 0.00 -0.69 0.00 0.00 174.62 174.25 3hdl s ALA 63 N 2.86 2.81 0.43 7.40 0.00 -1.26 -0.91 121.76 133.09 3hdl s ALA 63 Ca 0.20 -0.96 0.17 0.00 0.00 0.00 0.00 51.96 51.37 3hdl s ALA 63 Cb -0.16 -2.72 1.09 0.00 0.00 0.00 0.00 23.12 21.33 3hdl s ALA 63 CO 0.16 -1.72 1.90 0.93 0.00 0.00 0.00 175.76 177.03 3hdl h GLU 64 N -1.00 0.38 -1.05 0.00 5.08 -1.71 -1.60 114.58 114.68 3hdl h GLU 64 Ca -0.44 -0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.18 3hdl h GLU 64 Cb 1.30 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 3hdl h GLU 64 CO 0.55 0.25 0.72 0.87 -1.00 0.00 0.00 179.01 180.40 3hdl h LYS 65 N 0.39 0.18 -0.30 2.33 1.57 -1.78 -0.18 116.57 118.76 3hdl h LYS 65 Ca 0.41 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3hdl h LYS 65 Cb 1.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3hdl h LYS 65 CO -0.13 0.12 0.00 -0.25 -0.57 0.00 0.00 179.45 178.61 3hdl n ASP 66 N -4.39 2.79 -4.74 0.86 8.00 -0.61 -3.18 116.55 115.28 3hdl n ASP 66 Ca 0.24 -1.90 -0.33 0.00 0.71 0.00 0.00 54.79 53.51 3hdl n ASP 66 Cb 1.01 -0.20 0.09 0.00 -0.02 0.00 0.00 41.12 42.01 3hdl n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hdl s ALA 67 N -1.61 2.13 0.16 2.24 0.00 -0.08 -4.68 121.76 119.92 3hdl s ALA 67 Ca 0.36 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 3hdl s ALA 67 Cb 0.21 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 20.02 3hdl s ALA 67 CO 0.29 -1.84 1.64 0.82 0.00 0.00 0.00 175.76 176.68 3hdl h ILE 68 N -0.64 0.46 0.00 0.00 1.08 -1.88 -0.26 117.51 116.28 3hdl h ILE 68 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3hdl h ILE 68 Cb 1.26 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 3hdl h ILE 68 CO 0.50 0.00 0.00 1.55 -0.69 0.00 0.00 178.15 179.51 3hdl h PRO 69 N -0.13 0.00 0.00 2.37 0.13 -1.92 -3.32 132.00 129.13 3hdl h PRO 69 Ca 0.18 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.02 3hdl h PRO 69 Cb 0.40 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.48 3hdl h PRO 69 CO -0.43 0.00 -2.08 0.09 -0.23 0.00 0.00 178.00 175.35 3hdl n ASN 70 N -2.32 1.41 -4.36 1.44 3.02 -0.33 -4.65 115.26 109.47 3hdl n ASN 70 Ca 0.01 -0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.19 3hdl n ASN 70 Cb 0.20 0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 39.88 3hdl n ASN 70 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hdl s ASN 71 N -5.12 4.46 -0.23 6.41 2.47 -0.26 -1.10 114.94 121.57 3hdl s ASN 71 Ca -0.12 -0.33 0.14 0.00 0.42 0.00 0.00 52.86 52.98 3hdl s ASN 71 Cb 0.05 -1.76 0.81 0.00 -1.45 0.00 0.00 41.25 38.89 3hdl s ASN 71 CO 0.60 0.01 1.73 -0.81 -3.72 0.00 0.00 177.10 174.92 3hdl n PRO 72 N 4.60 4.78 0.11 0.43 -0.04 -1.26 -4.79 135.00 138.83 3hdl n PRO 72 Ca -0.18 -3.15 -0.04 0.00 -0.04 0.00 0.00 63.50 60.10 3hdl n PRO 72 Cb 0.51 -2.24 0.10 0.00 -0.04 0.00 0.00 33.50 31.84 3hdl n PRO 72 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hdl h SER 73 N 3.88 0.08 -3.95 3.54 4.64 -1.67 -3.44 113.55 116.63 3hdl h SER 73 Ca 0.00 -0.05 -0.54 0.00 -0.47 0.00 0.00 61.79 60.73 3hdl h SER 73 Cb 1.95 -0.02 0.11 0.00 -0.31 0.00 0.00 62.40 64.12 3hdl h SER 73 CO 0.47 0.75 0.77 -0.76 -0.87 0.00 0.00 176.83 177.20 3hdl s LEU 74 N -7.53 4.31 0.01 5.97 1.43 -0.26 -5.01 118.68 117.59 3hdl s LEU 74 Ca -0.02 3.04 -0.15 0.00 -1.03 0.00 0.00 54.13 55.98 3hdl s LEU 74 Cb 0.12 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.68 3hdl s LEU 74 CO 0.78 -0.89 0.31 0.00 0.23 0.00 0.00 176.35 176.78 3hdl s ARG 75 N -2.12 0.72 0.00 1.70 1.70 -1.26 -4.92 118.95 114.77 3hdl s ARG 75 Ca 0.53 -0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.50 3hdl s ARG 75 Cb -0.46 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 3hdl s ARG 75 CO 0.63 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 175.05 3hdl n GLY 76 N 1.03 1.02 0.36 3.88 0.00 -1.26 -3.89 105.19 106.33 3hdl n GLY 76 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3hdl n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hdl h PHE 77 N 0.00 0.93 0.00 1.61 0.04 -1.96 -1.47 116.94 116.09 3hdl h PHE 77 Ca 0.00 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 3hdl h PHE 77 Cb 0.00 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 3hdl h PHE 77 CO 0.00 0.44 -0.34 1.49 -0.60 0.00 0.00 178.31 179.30 3hdl h GLU 78 N 0.87 0.00 -0.43 1.51 4.57 -1.99 -1.66 114.58 117.46 3hdl h GLU 78 Ca 0.40 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.47 3hdl h GLU 78 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3hdl h GLU 78 CO -0.16 0.34 -0.14 0.28 -1.18 0.00 0.00 179.01 178.15 3hdl h VAL 79 N 0.00 1.28 -0.52 0.32 2.07 -1.66 -0.62 116.25 117.12 3hdl h VAL 79 Ca -0.00 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 3hdl h VAL 79 Cb 0.61 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3hdl h VAL 79 CO 0.04 0.43 0.22 0.40 0.02 0.00 0.00 177.57 178.68 3hdl h ILE 80 N 0.67 1.21 -0.54 4.57 1.08 -1.31 0.07 117.51 123.26 3hdl h ILE 80 Ca 0.10 -0.63 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 3hdl h ILE 80 Cb 0.69 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 3hdl h ILE 80 CO 0.05 0.24 0.33 0.74 -0.69 0.00 0.00 178.15 178.82 3hdl h THR 81 N 0.69 1.05 -0.51 -0.27 2.02 -1.16 0.11 112.91 114.84 3hdl h THR 81 Ca 0.17 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3hdl h THR 81 Cb 0.17 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3hdl h THR 81 CO -0.02 0.12 0.11 0.00 0.37 0.00 0.00 175.52 176.10 3hdl h ALA 82 N 1.24 0.67 -0.38 6.16 0.00 -0.81 -0.65 119.26 125.49 3hdl h ALA 82 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hdl h ALA 82 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hdl h ALA 82 CO -0.10 0.38 0.08 0.00 0.00 0.00 0.00 179.25 179.61 3hdl h ALA 83 N 0.99 0.50 -0.82 0.00 0.00 -0.68 -2.47 119.26 116.78 3hdl h ALA 83 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hdl h ALA 83 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3hdl h ALA 83 CO 0.00 0.18 0.48 -0.22 0.00 0.00 0.00 179.25 179.69 3hdl h LYS 84 N 0.47 1.13 -0.35 0.00 1.63 -0.66 -0.77 116.57 118.01 3hdl h LYS 84 Ca 0.12 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3hdl h LYS 84 Cb 0.32 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 3hdl h LYS 84 CO 0.00 0.80 0.20 1.03 -3.45 0.00 0.00 179.45 178.04 3hdl h SER 85 N 1.14 0.33 -0.26 4.20 0.87 -0.91 -0.25 113.55 118.67 3hdl h SER 85 Ca 0.29 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3hdl h SER 85 Cb -0.02 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3hdl h SER 85 CO -0.05 0.24 0.03 0.00 -0.53 0.00 0.00 176.83 176.52 3hdl h ALA 86 N 1.16 0.35 -0.58 6.23 0.00 -0.97 -2.45 119.26 123.00 3hdl h ALA 86 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3hdl h ALA 86 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hdl h ALA 86 CO -0.07 0.04 -0.02 0.28 0.00 0.00 0.00 179.25 179.49 3hdl h VAL 87 N 0.24 1.26 -0.28 0.00 2.07 -1.01 -1.56 116.25 116.98 3hdl h VAL 87 Ca 0.08 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3hdl h VAL 87 Cb 0.35 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3hdl h VAL 87 CO 0.01 0.42 -0.07 -0.33 0.02 0.00 0.00 177.57 177.61 3hdl h GLU 88 N 0.93 0.45 -0.21 1.57 4.39 -1.02 0.29 114.58 120.98 3hdl h GLU 88 Ca 0.16 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 3hdl h GLU 88 Cb 0.57 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3hdl h GLU 88 CO 0.03 0.53 -0.48 0.00 -1.16 0.00 0.00 179.01 177.93 3hdl h ALA 89 N 1.51 0.76 0.07 3.43 0.00 -1.00 -2.80 119.26 121.23 3hdl h ALA 89 Ca 0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 3hdl h ALA 89 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3hdl h ALA 89 CO 0.02 0.67 -1.48 0.00 0.00 0.00 0.00 179.25 178.46 3hdl h ALA 90 N 1.02 0.39 -1.82 0.00 0.00 -0.90 -3.42 119.26 114.53 3hdl h ALA 90 Ca 0.02 -1.15 -0.39 0.00 0.00 0.00 0.00 54.91 53.39 3hdl h ALA 90 Cb 1.01 0.25 -0.29 0.00 0.00 0.00 0.00 17.79 18.76 3hdl h ALA 90 CO 0.09 1.25 -0.75 0.00 0.00 0.00 0.00 179.25 179.85 3hdl n PRO 92 N 3.25 0.99 -3.96 0.00 -0.02 -1.06 -2.94 135.00 131.26 3hdl n PRO 92 Ca 0.21 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 3hdl n PRO 92 Cb 0.50 -1.95 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3hdl n PRO 92 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hdl n GLN 93 N 2.26 -4.62 -0.00 -0.52 6.02 -1.26 -4.84 117.38 114.41 3hdl n GLN 93 Ca 0.18 0.53 -0.00 0.00 -0.01 0.00 0.00 57.00 57.70 3hdl n GLN 93 Cb 0.18 -5.23 -0.00 0.00 1.02 0.00 0.00 30.24 26.22 3hdl n GLN 93 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3hdl n THR 94 N -4.52 0.00 -3.41 5.09 -1.04 -1.15 -4.95 114.28 104.29 3hdl n THR 94 Ca -0.05 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 3hdl n THR 94 Cb 0.56 -1.46 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 3hdl n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hdl s VAL 95 N -2.00 5.22 0.51 12.58 1.01 -1.26 -4.99 120.40 131.45 3hdl s VAL 95 Ca -0.00 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 3hdl s VAL 95 Cb 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 3hdl s VAL 95 CO 0.00 0.27 1.09 -0.94 0.00 0.00 0.00 175.10 175.51 3hdl s SER 96 N 1.01 6.07 0.39 3.32 1.04 -1.26 -4.81 113.70 119.45 3hdl s SER 96 Ca 0.18 2.06 0.07 0.00 0.48 0.00 0.00 55.95 58.74 3hdl s SER 96 Cb -0.15 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.19 3hdl s SER 96 CO 0.07 -0.97 1.98 0.00 0.98 0.00 0.00 173.24 175.31 3hdl h ALA 98 N 1.67 0.71 -0.46 0.00 0.00 -1.87 -1.09 119.26 118.22 3hdl h ALA 98 Ca 0.11 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3hdl h ALA 98 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hdl h ALA 98 CO -0.01 0.26 -0.02 -0.44 0.00 0.00 0.00 179.25 179.04 3hdl h ASP 99 N 0.74 0.81 -0.73 0.00 3.32 -1.74 -2.33 116.42 116.49 3hdl h ASP 99 Ca 0.19 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 56.97 3hdl h ASP 99 Cb 0.10 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3hdl h ASP 99 CO -0.03 0.94 0.44 0.40 -1.72 0.00 0.00 179.24 179.27 3hdl h ILE 100 N 0.67 1.05 -0.60 0.35 2.04 -1.01 0.22 117.51 120.23 3hdl h ILE 100 Ca 0.13 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 3hdl h ILE 100 Cb 0.53 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3hdl h ILE 100 CO 0.03 0.15 0.14 0.25 0.00 0.00 0.00 178.15 178.72 3hdl h LEU 101 N 0.84 0.91 -0.35 1.44 5.85 -1.11 0.13 115.31 123.02 3hdl h LEU 101 Ca 0.31 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hdl h LEU 101 Cb 0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3hdl h LEU 101 CO -0.14 0.91 0.15 0.00 -0.34 0.00 0.00 178.44 179.01 3hdl h ALA 102 N 1.03 0.45 -0.54 1.25 0.00 -0.85 -1.22 119.26 119.39 3hdl h ALA 102 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hdl h ALA 102 Cb 0.36 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3hdl h ALA 102 CO 0.00 0.04 0.31 0.74 0.00 0.00 0.00 179.25 180.35 3hdl h PHE 103 N 0.42 0.58 -0.41 0.00 0.05 -0.36 -2.61 116.94 114.60 3hdl h PHE 103 Ca 0.12 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.84 3hdl h PHE 103 Cb 0.17 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 37.92 3hdl h PHE 103 CO -0.01 0.32 -0.09 0.00 -0.18 0.00 0.00 178.31 178.35 3hdl h ALA 104 N 1.25 1.07 -0.65 2.45 0.00 -0.50 -0.19 119.26 122.69 3hdl h ALA 104 Ca 0.22 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hdl h ALA 104 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hdl h ALA 104 CO -0.11 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.82 3hdl h ALA 105 N 1.24 0.87 -0.33 0.00 0.00 -1.10 -0.28 119.26 119.67 3hdl h ALA 105 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hdl h ALA 105 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hdl h ALA 105 CO 0.03 0.62 0.15 -0.09 0.00 0.00 0.00 179.25 179.97 3hdl h ARG 106 N 1.00 0.48 -0.55 0.00 1.12 -1.03 -1.38 114.38 114.02 3hdl h ARG 106 Ca 0.20 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 3hdl h ARG 106 Cb 0.42 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.27 3hdl h ARG 106 CO 0.01 0.45 0.30 -0.44 -3.11 0.00 0.00 179.97 177.18 3hdl h ASP 107 N 0.39 0.67 -0.46 -3.80 3.32 -0.84 -1.98 116.42 113.71 3hdl h ASP 107 Ca 0.11 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3hdl h ASP 107 Cb 0.14 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3hdl h ASP 107 CO -0.01 0.54 -0.08 0.28 -1.72 0.00 0.00 179.24 178.25 3hdl h SER 108 N 0.76 0.87 -0.49 6.45 0.02 -0.68 -1.37 113.55 119.11 3hdl h SER 108 Ca 0.20 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3hdl h SER 108 Cb 0.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3hdl h SER 108 CO -0.03 1.01 0.25 0.00 -1.14 0.00 0.00 176.83 176.92 3hdl h ALA 109 N 0.89 1.47 -0.23 3.77 0.00 -0.83 -0.21 119.26 124.12 3hdl h ALA 109 Ca 0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hdl h ALA 109 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hdl h ALA 109 CO 0.04 0.42 -0.16 -0.97 0.00 0.00 0.00 179.25 178.58 3hdl h ASN 110 N 0.73 0.55 -0.43 0.00 -0.00 -0.71 -0.98 115.58 114.74 3hdl h ASN 110 Ca 0.18 -0.44 -0.12 0.00 -0.00 0.00 0.00 56.30 55.92 3hdl h ASN 110 Cb 0.07 -0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 38.22 3hdl h ASN 110 CO -0.03 0.87 -0.18 -0.07 -0.00 0.00 0.00 177.43 178.03 3hdl h LEU 111 N 0.23 0.93 0.00 0.34 3.38 -0.95 0.31 115.31 119.56 3hdl h LEU 111 Ca 0.05 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3hdl h LEU 111 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3hdl h LEU 111 CO 0.04 1.09 -0.92 0.00 0.09 0.00 0.00 178.44 178.74 3hdl h ALA 112 N 0.98 0.66 0.00 1.53 0.00 -1.06 -3.41 119.26 117.96 3hdl h ALA 112 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hdl h ALA 112 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hdl h ALA 112 CO 0.06 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3hdl n GLY 113 N 1.27 -1.04 2.42 0.00 0.00 -0.40 -0.74 105.19 106.71 3hdl n GLY 113 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 3hdl n GLY 113 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hdl n ASN 114 N 0.00 -5.59 -4.57 1.61 5.15 0.10 -4.86 115.26 107.09 3hdl n ASN 114 Ca 0.00 0.06 -0.40 0.00 -0.60 0.00 0.00 54.58 53.64 3hdl n ASN 114 Cb 0.45 -4.69 -0.09 0.00 -0.53 0.00 0.00 39.78 34.91 3hdl n ASN 114 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hdl s ILE 115 N -2.95 5.18 0.11 -1.44 1.01 -1.06 -4.92 121.20 117.13 3hdl s ILE 115 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.95 3hdl s ILE 115 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3hdl s ILE 115 CO 0.00 0.03 -0.15 0.28 0.00 0.00 0.00 174.94 175.10 3hdl s THR 116 N 2.01 1.31 0.09 2.92 -1.32 -1.26 -1.97 115.64 117.42 3hdl s THR 116 Ca 0.12 -1.60 -0.26 0.00 -1.21 0.00 0.00 61.69 58.75 3hdl s THR 116 Cb -0.16 -1.42 0.08 0.00 -1.51 0.00 0.00 72.50 69.49 3hdl s THR 116 CO 0.11 -0.34 0.76 -0.72 -2.21 0.00 0.00 174.62 172.23 3hdl s TYR 117 N -1.84 -0.40 0.18 9.09 1.13 -1.26 -5.00 117.35 119.25 3hdl s TYR 117 Ca 0.06 0.20 -0.21 0.00 -1.41 0.00 0.00 57.07 55.71 3hdl s TYR 117 Cb -0.07 0.57 -0.08 0.00 -1.10 0.00 0.00 41.96 41.28 3hdl s TYR 117 CO 0.03 -0.74 0.70 -0.65 -2.51 0.00 0.00 175.55 172.38 3hdl s GLN 118 N -3.44 4.30 -0.26 -3.49 -0.21 -1.26 -5.02 119.66 110.28 3hdl s GLN 118 Ca 0.04 0.89 -0.05 0.00 0.02 0.00 0.00 55.36 56.27 3hdl s GLN 118 Cb -0.01 -3.03 0.01 0.00 1.00 0.00 0.00 33.01 30.97 3hdl s GLN 118 CO -0.09 0.48 0.02 0.08 -2.12 0.00 0.00 175.29 173.66 3hdl s VAL 119 N -1.36 3.57 0.41 1.09 1.01 -1.26 -4.96 120.40 118.90 3hdl s VAL 119 Ca 0.39 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 3hdl s VAL 119 Cb -0.19 -2.78 -0.10 0.00 0.00 0.00 0.00 36.38 33.32 3hdl s VAL 119 CO 0.22 0.20 1.46 -2.65 0.00 0.00 0.00 175.10 174.34 3hdl n PRO 120 N 4.80 2.49 -3.90 2.72 -0.02 -1.26 -4.43 135.00 135.40 3hdl n PRO 120 Ca -0.16 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.01 3hdl n PRO 120 Cb 0.49 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 3hdl n PRO 120 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hdl n SER 121 N 0.17 0.49 0.00 2.55 3.41 -0.15 -4.80 113.62 115.29 3hdl n SER 121 Ca 0.03 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 3hdl n SER 121 Cb 0.40 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 3hdl n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hdl n GLY 122 N -0.35 1.24 3.75 5.00 0.00 -1.26 -1.69 105.19 111.89 3hdl n GLY 122 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3hdl n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hdl s ARG 123 N -0.45 3.03 0.23 1.61 0.52 -1.26 -4.48 118.95 118.15 3hdl s ARG 123 Ca 0.00 1.93 0.09 0.00 -0.52 0.00 0.00 55.73 57.23 3hdl s ARG 123 Cb 0.00 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 3hdl s ARG 123 CO 0.00 -1.19 -0.02 1.03 0.02 0.00 0.00 175.30 175.15 3hdl s ARG 124 N -3.19 2.29 -0.11 3.54 1.81 0.35 -4.58 118.95 119.06 3hdl s ARG 124 Ca 0.76 -1.31 -0.19 0.00 -1.72 0.00 0.00 55.73 53.26 3hdl s ARG 124 Cb -0.33 -2.21 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 3hdl s ARG 124 CO 0.37 0.40 0.53 -0.51 -0.68 0.00 0.00 175.30 175.41 3hdl s ASP 125 N -3.37 6.76 0.91 0.23 1.01 0.31 -4.49 116.67 118.03 3hdl s ASP 125 Ca 0.29 0.91 -0.14 0.00 0.71 0.00 0.00 52.55 54.32 3hdl s ASP 125 Cb -0.07 -2.32 0.15 0.00 1.01 0.00 0.00 42.92 41.69 3hdl s ASP 125 CO 0.19 -0.03 1.25 -0.83 0.21 0.00 0.00 175.17 175.96 3hdl s GLY 126 N 0.67 1.69 -0.03 0.21 0.00 -0.26 -1.27 107.32 108.32 3hdl s GLY 126 Ca 0.29 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.12 3hdl s GLY 126 CO 0.12 -0.29 0.96 -1.30 0.00 0.00 0.00 173.10 172.59 3hdl n THR 127 N -3.63 0.97 -4.97 0.90 -2.24 -1.26 -4.84 114.28 99.21 3hdl n THR 127 Ca 0.12 -1.07 -0.27 0.00 -2.27 0.00 0.00 64.05 60.56 3hdl n THR 127 Cb 0.60 0.39 -0.16 0.00 -2.10 0.00 0.00 70.33 69.06 3hdl n THR 127 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hdl s VAL 128 N -1.24 1.59 -0.24 2.28 1.01 -1.26 -5.01 120.40 117.54 3hdl s VAL 128 Ca 0.09 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 3hdl s VAL 128 Cb 0.08 -1.33 0.12 0.00 0.00 0.00 0.00 36.38 35.24 3hdl s VAL 128 CO 0.01 0.45 0.47 -0.55 0.00 0.00 0.00 175.10 175.48 3hdl s SER 129 N -0.36 -0.42 -0.09 3.32 0.15 -1.26 -4.69 113.70 110.35 3hdl s SER 129 Ca 0.05 0.91 0.01 0.00 0.70 0.00 0.00 55.95 57.62 3hdl s SER 129 Cb -0.09 1.55 0.02 0.00 -1.71 0.00 0.00 66.02 65.79 3hdl s SER 129 CO 0.00 -0.25 -0.10 -0.76 1.20 0.00 0.00 173.24 173.33 3hdl s LEU 130 N 2.67 1.43 0.34 3.45 1.43 -1.26 -3.98 118.68 122.76 3hdl s LEU 130 Ca 0.03 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 3hdl s LEU 130 Cb -0.13 -0.82 0.80 0.00 0.03 0.00 0.00 46.19 46.07 3hdl s LEU 130 CO -0.15 -0.04 1.82 0.00 0.23 0.00 0.00 176.35 178.21 3hdl h ALA 131 N 7.52 1.79 -0.94 4.21 0.00 -0.88 -1.77 119.26 129.20 3hdl h ALA 131 Ca -0.31 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hdl h ALA 131 Cb 1.16 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3hdl h ALA 131 CO 0.45 -0.10 0.60 0.66 0.00 0.00 0.00 179.25 180.86 3hdl h SER 132 N 0.72 1.10 -0.25 0.00 4.64 -1.89 0.50 113.55 118.38 3hdl h SER 132 Ca 0.51 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.65 3hdl h SER 132 Cb 0.84 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hdl h SER 132 CO -0.28 0.81 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.80 3hdl h GLU 133 N 1.28 0.69 -0.54 4.77 5.08 -1.74 -2.60 114.58 121.53 3hdl h GLU 133 Ca 0.34 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3hdl h GLU 133 Cb -0.11 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3hdl h GLU 133 CO -0.07 1.03 0.27 0.00 -1.00 0.00 0.00 179.01 179.24 3hdl h ALA 134 N 0.65 0.69 -0.98 3.43 0.00 -1.19 0.17 119.26 122.04 3hdl h ALA 134 Ca 0.02 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.97 3hdl h ALA 134 Cb 0.96 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 3hdl h ALA 134 CO 0.09 0.25 0.59 -0.91 0.00 0.00 0.00 179.25 179.26 3hdl h ASN 135 N 0.72 0.80 0.66 0.00 2.35 -0.84 -1.81 115.58 117.46 3hdl h ASN 135 Ca 0.19 0.08 -0.27 0.00 -0.55 0.00 0.00 56.30 55.75 3hdl h ASN 135 Cb 0.10 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3hdl h ASN 135 CO -0.03 0.35 -1.39 0.00 -1.65 0.00 0.00 177.43 174.72 3hdl h ALA 136 N 1.59 0.43 0.00 -0.83 0.00 -1.05 -3.40 119.26 116.00 3hdl h ALA 136 Ca 0.53 -1.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 3hdl h ALA 136 Cb 0.71 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3hdl h ALA 136 CO -0.34 1.29 -1.88 1.04 0.00 0.00 0.00 179.25 179.37 3hdl n GLN 137 N -3.31 0.65 -2.59 0.00 1.13 0.01 -4.86 117.38 108.41 3hdl n GLN 137 Ca -0.11 0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.63 3hdl n GLN 137 Cb 1.01 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 29.67 3hdl n GLN 137 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hdl s ILE 138 N -2.81 4.56 0.60 5.09 -1.09 -0.70 -4.94 121.20 121.90 3hdl s ILE 138 Ca -0.06 1.84 -0.20 0.00 -2.23 0.00 0.00 60.65 60.00 3hdl s ILE 138 Cb 0.08 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3hdl s ILE 138 CO 0.83 0.03 1.32 -2.84 -1.23 0.00 0.00 174.94 173.05 3hdl s PRO 139 N 1.90 2.86 0.04 2.79 0.02 -1.26 -4.96 135.00 136.40 3hdl s PRO 139 Ca 0.52 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 63.56 3hdl s PRO 139 Cb -0.22 -2.04 -0.06 0.00 0.02 0.00 0.00 34.50 32.20 3hdl s PRO 139 CO 0.21 -1.38 0.39 0.45 -0.33 0.00 0.00 177.00 176.34 3hdl s SER 140 N -1.20 6.69 0.03 2.53 0.15 -1.26 -4.97 113.70 115.67 3hdl s SER 140 Ca 0.77 0.83 0.13 0.00 0.70 0.00 0.00 55.95 58.39 3hdl s SER 140 Cb -0.38 -2.20 0.56 0.00 -1.71 0.00 0.00 66.02 62.29 3hdl s SER 140 CO 0.43 0.23 1.41 -0.81 1.20 0.00 0.00 173.24 175.71 3hdl n PRO 141 N 1.25 0.02 0.00 5.44 -0.04 -1.26 -1.87 135.00 138.54 3hdl n PRO 141 Ca -0.10 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 3hdl n PRO 141 Cb 0.52 -1.55 0.47 0.00 -0.04 0.00 0.00 33.50 32.90 3hdl n PRO 141 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hdl n LEU 142 N -1.59 0.38 -4.74 1.53 4.77 -1.26 -0.78 117.00 115.31 3hdl n LEU 142 Ca 0.03 0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.76 3hdl n LEU 142 Cb 0.14 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3hdl n LEU 142 CO 0.12 0.08 0.91 -0.36 -1.33 0.00 0.00 177.39 176.81 3hdl s PHE 143 N -2.82 2.16 0.72 -1.77 0.08 -0.78 -4.87 117.98 110.70 3hdl s PHE 143 Ca 0.18 1.47 -0.00 0.00 0.12 0.00 0.00 56.93 58.69 3hdl s PHE 143 Cb 0.19 -3.68 0.13 0.00 -0.57 0.00 0.00 43.02 39.08 3hdl s PHE 143 CO 0.58 -2.82 0.99 0.54 -0.10 0.00 0.00 175.22 174.41 3hdl s ASN 144 N -1.35 4.37 0.17 1.36 2.20 -1.26 -4.17 114.94 116.26 3hdl s ASN 144 Ca 0.80 -0.39 -0.15 0.00 -0.94 0.00 0.00 52.86 52.18 3hdl s ASN 144 Cb -0.37 0.00 0.13 0.00 -2.00 0.00 0.00 41.25 39.01 3hdl s ASN 144 CO 0.40 -1.85 1.70 0.00 -2.94 0.00 0.00 177.10 174.41 3hdl h ALA 145 N -0.51 0.42 -0.70 3.54 0.00 -1.94 -1.19 119.26 118.87 3hdl h ALA 145 Ca -0.36 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hdl h ALA 145 Cb 1.27 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3hdl h ALA 145 CO 0.40 -0.37 0.44 1.15 0.00 0.00 0.00 179.25 180.87 3hdl h THR 146 N 0.14 1.08 -0.51 0.00 2.02 -1.95 -0.81 112.91 112.89 3hdl h THR 146 Ca 0.21 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 3hdl h THR 146 Cb 0.29 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3hdl h THR 146 CO -0.33 0.15 -0.06 1.56 0.37 0.00 0.00 175.52 177.22 3hdl h GLN 147 N 0.84 0.90 -0.25 6.66 4.20 -1.77 -1.19 115.11 124.50 3hdl h GLN 147 Ca 0.29 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3hdl h GLN 147 Cb 0.05 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3hdl h GLN 147 CO -0.12 0.93 0.02 -0.07 -0.67 0.00 0.00 178.83 178.92 3hdl h LEU 148 N 0.82 0.41 -0.30 1.46 3.38 -0.85 -1.00 115.31 119.23 3hdl h LEU 148 Ca 0.14 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hdl h LEU 148 Cb 0.57 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hdl h LEU 148 CO 0.03 0.59 0.18 0.40 0.09 0.00 0.00 178.44 179.74 3hdl h ILE 149 N 0.22 1.05 -0.57 1.22 2.04 -1.02 -1.92 117.51 118.53 3hdl h ILE 149 Ca 0.07 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3hdl h ILE 149 Cb 0.37 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3hdl h ILE 149 CO 0.01 0.07 0.21 0.78 0.00 0.00 0.00 178.15 179.22 3hdl h ASN 150 N 0.38 0.81 -0.26 1.72 2.35 -1.17 0.11 115.58 119.51 3hdl h ASN 150 Ca 0.11 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3hdl h ASN 150 Cb -0.02 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.09 3hdl h ASN 150 CO -0.04 0.77 -0.07 -1.28 -1.65 0.00 0.00 177.43 175.16 3hdl h SER 151 N 0.79 -0.25 0.11 5.81 0.87 -1.01 -2.21 113.55 117.66 3hdl h SER 151 Ca 0.19 0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 3hdl h SER 151 Cb 0.23 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3hdl h SER 151 CO -0.01 -0.09 -0.54 -0.26 -0.53 0.00 0.00 176.83 175.39 3hdl h PHE 152 N -0.00 0.58 -0.56 2.24 -1.00 -1.10 -3.02 116.94 114.08 3hdl h PHE 152 Ca 0.12 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 3hdl h PHE 152 Cb 0.19 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 3hdl h PHE 152 CO -0.26 0.91 0.31 0.00 -1.61 0.00 0.00 178.31 177.65 3hdl h ALA 153 N 1.05 1.48 0.00 2.45 0.00 -0.54 -0.10 119.26 123.61 3hdl h ALA 153 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hdl h ALA 153 Cb 1.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hdl h ALA 153 CO 0.10 0.43 0.00 -1.71 0.00 0.00 0.00 179.25 178.07 3hdl n ASN 154 N -4.40 0.67 -0.99 0.00 2.85 -0.85 -2.06 115.26 110.48 3hdl n ASN 154 Ca 0.05 0.68 0.04 0.00 -0.11 0.00 0.00 54.58 55.24 3hdl n ASN 154 Cb 0.10 -0.82 0.24 0.00 1.24 0.00 0.00 39.78 40.54 3hdl n ASN 154 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3hdl n LYS 155 N -2.26 2.58 -0.98 1.20 4.76 -0.18 -4.96 118.16 118.32 3hdl n LYS 155 Ca 0.02 -2.94 0.00 0.00 -2.87 0.00 0.00 58.31 52.52 3hdl n LYS 155 Cb 0.21 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 3hdl n LYS 155 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3hdl n THR 156 N -0.72 0.00 -3.82 -0.18 -2.24 -0.88 -4.94 114.28 101.51 3hdl n THR 156 Ca 0.26 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.68 3hdl n THR 156 Cb 0.95 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 3hdl n THR 156 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hdl s LEU 157 N 0.00 4.30 0.87 3.22 1.43 -0.43 -4.97 118.68 123.09 3hdl s LEU 157 Ca 0.00 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 3hdl s LEU 157 Cb 0.00 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 44.25 3hdl s LEU 157 CO 0.00 0.30 1.12 0.42 0.23 0.00 0.00 176.35 178.42 3hdl s THR 158 N -0.39 2.45 0.24 5.49 -4.23 -1.26 -2.82 115.64 115.12 3hdl s THR 158 Ca 0.12 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.70 3hdl s THR 158 Cb -0.12 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 71.06 3hdl s THR 158 CO 0.01 -0.19 1.89 0.00 -0.54 0.00 0.00 174.62 175.80 3hdl h ALA 159 N -1.34 1.16 -0.26 3.99 0.00 -1.96 -0.28 119.26 120.57 3hdl h ALA 159 Ca -0.49 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3hdl h ALA 159 Cb 1.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hdl h ALA 159 CO 0.61 0.48 -0.29 0.22 0.00 0.00 0.00 179.25 180.26 3hdl h ASP 160 N 1.16 0.53 0.20 0.00 3.58 -1.96 -2.00 116.42 117.94 3hdl h ASP 160 Ca 0.35 -0.20 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 3hdl h ASP 160 Cb -0.05 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 3hdl h ASP 160 CO -0.10 0.81 -0.42 -0.33 -2.88 0.00 0.00 179.24 176.32 3hdl h GLU 161 N 0.45 0.28 -0.34 0.28 5.08 -1.76 -0.77 114.58 117.80 3hdl h GLU 161 Ca 0.06 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3hdl h GLU 161 Cb 0.74 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3hdl h GLU 161 CO 0.06 0.65 0.17 1.98 -1.00 0.00 0.00 179.01 180.87 3hdl h MET 162 N 0.23 0.49 -0.61 2.33 4.05 -0.73 -0.23 114.93 120.46 3hdl h MET 162 Ca 0.02 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 3hdl h MET 162 Cb 0.84 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.52 3hdl h MET 162 CO 0.07 0.43 0.32 0.28 0.23 0.00 0.00 176.91 178.24 3hdl h VAL 163 N 0.42 1.20 -0.11 -5.77 2.07 -1.04 -1.17 116.25 111.85 3hdl h VAL 163 Ca 0.12 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3hdl h VAL 163 Cb 0.10 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hdl h VAL 163 CO -0.02 0.22 0.07 0.74 0.02 0.00 0.00 177.57 178.60 3hdl h THR 164 N 0.82 1.02 0.00 2.57 2.02 -0.97 -2.99 112.91 115.39 3hdl h THR 164 Ca 0.21 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 3hdl h THR 164 Cb 0.07 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3hdl h THR 164 CO -0.03 0.03 -0.35 -0.07 0.37 0.00 0.00 175.52 175.46 3hdl h LEU 165 N 0.14 0.00 -2.80 2.58 3.38 -0.88 -2.02 115.31 115.71 3hdl h LEU 165 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hdl h LEU 165 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hdl h LEU 165 CO -0.01 0.35 -0.00 0.28 0.09 0.00 0.00 178.44 179.15 3hdl h SER 166 N 0.00 0.00 0.24 -0.43 0.02 -1.06 -1.37 113.55 110.96 3hdl h SER 166 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hdl h SER 166 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3hdl h SER 166 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 3hdl n GLY 167 N -1.05 -0.76 0.32 -3.77 0.00 -0.76 -1.36 105.19 97.81 3hdl n GLY 167 Ca -0.03 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.17 3hdl n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdl h ALA 168 N 2.22 1.20 0.00 4.61 0.00 -1.44 -0.79 119.26 125.07 3hdl h ALA 168 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hdl h ALA 168 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hdl h ALA 168 CO 0.00 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.98 3hdl n HIS 169 N -3.39 0.00 0.65 0.00 8.25 -0.46 -2.51 115.22 117.77 3hdl n HIS 169 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 3hdl n HIS 169 Cb 0.10 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.61 3hdl n HIS 169 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hdl n SER 170 N -0.67 0.00 -4.20 0.41 2.88 -0.30 -3.54 113.62 108.19 3hdl n SER 170 Ca 0.06 0.45 -0.16 0.00 -1.33 0.00 0.00 58.87 57.89 3hdl n SER 170 Cb 0.03 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 62.91 3hdl n SER 170 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3hdl s ILE 171 N -2.96 0.39 0.00 2.46 -4.36 -1.04 -4.34 121.20 111.34 3hdl s ILE 171 Ca 0.10 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3hdl s ILE 171 Cb 0.12 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3hdl s ILE 171 CO 0.33 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.12 3hdl n GLY 172 N -0.46 -2.17 3.25 6.27 0.00 -1.21 -4.66 105.19 106.21 3hdl n GLY 172 Ca 0.01 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 3hdl n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hdl s VAL 173 N -0.26 0.52 -0.01 1.61 -7.23 -1.26 -1.51 120.40 112.26 3hdl s VAL 173 Ca 0.00 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 3hdl s VAL 173 Cb 0.00 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 3hdl s VAL 173 CO 0.00 -0.27 -0.11 0.00 -0.31 0.00 0.00 175.10 174.41 3hdl s ALA 174 N -3.77 0.91 0.49 1.32 0.00 0.01 -4.81 121.76 115.91 3hdl s ALA 174 Ca 0.30 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.58 3hdl s ALA 174 Cb 0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 3hdl s ALA 174 CO 0.08 0.21 1.23 -1.01 0.00 0.00 0.00 175.76 176.27 3hdl s HIS 175 N -0.20 2.68 0.31 0.00 3.76 -1.26 -0.72 115.29 119.87 3hdl s HIS 175 Ca 0.03 1.48 0.06 0.00 -0.15 0.00 0.00 55.06 56.49 3hdl s HIS 175 Cb -0.05 -3.52 0.86 0.00 1.11 0.00 0.00 32.58 30.99 3hdl s HIS 175 CO -0.00 -1.96 1.61 0.00 -0.85 0.00 0.00 174.74 173.54 3hdl h SER 177 N 0.11 0.00 1.14 0.00 4.64 -1.82 -1.24 113.55 116.38 3hdl h SER 177 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3hdl h SER 177 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3hdl h SER 177 CO -0.76 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 173.66 3hdl n SER 178 N -2.95 0.28 0.00 4.97 3.41 -0.26 -4.05 113.62 115.03 3hdl n SER 178 Ca -0.02 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3hdl n SER 178 Cb 0.10 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 3hdl n SER 178 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3hdl n PHE 179 N -1.76 0.00 0.30 7.33 1.16 -0.66 -4.73 117.46 119.10 3hdl n PHE 179 Ca 0.06 -0.01 0.18 0.00 -1.87 0.00 0.00 57.45 55.82 3hdl n PHE 179 Cb 0.36 -0.00 0.95 0.00 -1.61 0.00 0.00 39.48 39.18 3hdl n PHE 179 CO 0.00 0.00 0.00 1.79 -1.87 0.00 0.00 176.76 176.68 3hdl h THR 180 N 2.00 0.18 -0.65 1.97 1.35 -1.40 -1.14 112.91 115.21 3hdl h THR 180 Ca 0.00 -0.25 0.18 0.00 -0.55 0.00 0.00 66.41 65.79 3hdl h THR 180 Cb 0.75 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.35 3hdl h THR 180 CO 0.00 0.03 0.46 -0.55 -0.25 0.00 0.00 175.52 175.21 3hdl h ASN 181 N 0.00 0.05 0.78 5.36 -1.07 -1.85 -0.29 115.58 118.56 3hdl h ASN 181 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3hdl h ASN 181 Cb 0.21 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 3hdl h ASN 181 CO 0.00 0.02 -0.45 0.54 0.07 0.00 0.00 177.43 177.62 3hdl n ARG 182 N -4.36 0.14 -0.07 4.14 1.74 -0.43 -4.24 116.66 113.57 3hdl n ARG 182 Ca 0.13 0.05 -0.05 0.00 -0.77 0.00 0.00 57.85 57.20 3hdl n ARG 182 Cb 0.69 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 30.39 3hdl n ARG 182 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hdl n LEU 183 N -1.80 0.00 -3.96 0.55 4.77 -0.20 -0.77 117.00 115.59 3hdl n LEU 183 Ca 0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 3hdl n LEU 183 Cb 0.38 0.36 -0.15 0.00 -2.33 0.00 0.00 43.42 41.69 3hdl n LEU 183 CO 0.34 0.36 -0.41 -0.31 -1.33 0.00 0.00 177.39 176.04 3hdl s TYR 184 N -2.59 0.65 -2.04 -1.77 2.02 -0.71 -4.50 117.35 108.40 3hdl s TYR 184 Ca -0.08 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3hdl s TYR 184 Cb 0.07 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 41.16 3hdl s TYR 184 CO 0.74 -0.06 0.00 0.09 -1.57 0.00 0.00 175.55 174.76 3hdl n ASN 185 N 3.20 -5.37 -4.72 2.29 5.03 -1.03 -4.73 115.26 109.92 3hdl n ASN 185 Ca -0.16 0.40 -0.33 0.00 0.87 0.00 0.00 54.58 55.35 3hdl n ASN 185 Cb 0.56 -4.70 0.10 0.00 -1.02 0.00 0.00 39.78 34.72 3hdl n ASN 185 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3hdl s PHE 186 N -2.76 2.07 -1.28 3.10 5.36 0.25 -4.86 117.98 119.86 3hdl s PHE 186 Ca 0.00 1.63 -0.18 0.00 -0.96 0.00 0.00 56.93 57.42 3hdl s PHE 186 Cb 0.00 -3.37 0.02 0.00 -0.34 0.00 0.00 43.02 39.34 3hdl s PHE 186 CO 0.00 -2.47 1.89 -1.71 -1.46 0.00 0.00 175.22 171.47 3hdl n ASN 187 N -3.11 4.25 -3.77 6.13 4.05 -1.26 -4.26 115.26 117.29 3hdl n ASN 187 Ca 0.12 -2.85 -0.07 0.00 0.45 0.00 0.00 54.58 52.23 3hdl n ASN 187 Cb 0.51 -1.69 -0.02 0.00 1.23 0.00 0.00 39.78 39.82 3hdl n ASN 187 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3hdl s SER 188 N 4.40 -0.29 0.15 1.20 1.04 -1.26 -5.01 113.70 113.94 3hdl s SER 188 Ca 0.55 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.35 3hdl s SER 188 Cb 0.06 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.87 3hdl s SER 188 CO 0.05 -1.17 1.77 1.23 0.98 0.00 0.00 173.24 176.10 3hdl h GLY 189 N 2.00 0.48 2.00 7.32 0.00 -1.90 -2.61 103.07 110.36 3hdl h GLY 189 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hdl h GLY 189 CO 0.26 0.08 0.00 1.48 0.00 0.00 0.00 176.54 178.36 3hdl h SER 190 N 0.34 0.00 0.00 0.19 4.64 -1.97 -3.46 113.55 113.29 3hdl h SER 190 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3hdl h SER 190 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hdl h SER 190 CO -0.12 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.45 3hdl n GLY 191 N 0.99 0.77 3.56 -0.77 0.00 -0.98 -4.90 105.19 103.87 3hdl n GLY 191 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3hdl n GLY 191 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hdl s ILE 192 N -2.85 3.42 -0.06 -0.61 1.01 -1.26 -0.58 121.20 120.26 3hdl s ILE 192 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 60.65 59.40 3hdl s ILE 192 Cb 0.00 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.88 3hdl s ILE 192 CO 0.00 0.34 1.98 -0.67 0.00 0.00 0.00 174.94 176.60 3hdl n ASP 193 N 1.44 3.69 0.27 3.58 -0.08 0.05 -4.75 116.55 120.75 3hdl n ASP 193 Ca -0.15 0.82 0.18 0.00 -1.51 0.00 0.00 54.79 54.13 3hdl n ASP 193 Cb 0.52 -1.46 0.91 0.00 2.34 0.00 0.00 41.12 43.43 3hdl n ASP 193 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hdl h PRO 194 N 10.70 0.00 -0.04 -0.67 0.13 -1.96 -1.92 132.00 138.25 3hdl h PRO 194 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hdl h PRO 194 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hdl h PRO 194 CO 0.95 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 3hdl n THR 195 N -2.83 0.03 -4.14 1.56 -2.24 -1.26 -4.76 114.28 100.65 3hdl n THR 195 Ca -0.01 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 3hdl n THR 195 Cb 0.13 0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 3hdl n THR 195 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hdl s LEU 196 N -1.90 3.74 -0.04 3.22 2.96 -0.72 -4.66 118.68 121.27 3hdl s LEU 196 Ca 0.39 0.11 -0.37 0.00 -0.22 0.00 0.00 54.13 54.03 3hdl s LEU 196 Cb 0.20 -1.92 -0.16 0.00 0.50 0.00 0.00 46.19 44.82 3hdl s LEU 196 CO 0.32 0.25 1.54 -0.24 -1.32 0.00 0.00 176.35 176.89 3hdl n SER 197 N 3.04 2.15 0.16 3.68 2.88 -0.73 -4.82 113.62 119.99 3hdl n SER 197 Ca -0.17 1.09 0.07 0.00 -1.33 0.00 0.00 58.87 58.53 3hdl n SER 197 Cb 0.53 -1.21 0.57 0.00 -0.75 0.00 0.00 64.21 63.35 3hdl n SER 197 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hdl h PRO 198 N 5.90 0.19 -0.13 -1.46 0.11 -1.92 0.14 132.00 134.83 3hdl h PRO 198 Ca -0.47 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 3hdl h PRO 198 Cb 1.32 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3hdl h PRO 198 CO 0.86 0.12 -0.80 0.66 -0.21 0.00 0.00 178.00 178.63 3hdl h SER 199 N 0.19 0.90 -0.42 -2.05 4.64 -2.00 -1.25 113.55 113.57 3hdl h SER 199 Ca 0.06 -0.60 -0.03 0.00 -0.47 0.00 0.00 61.79 60.75 3hdl h SER 199 Cb 0.01 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 3hdl h SER 199 CO -0.01 1.40 0.15 0.22 -0.87 0.00 0.00 176.83 177.72 3hdl h TYR 200 N 0.51 0.66 -0.67 4.77 3.20 -1.79 -2.87 116.97 120.77 3hdl h TYR 200 Ca -0.06 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.79 3hdl h TYR 200 Cb 1.43 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 3hdl h TYR 200 CO 0.08 0.59 0.41 0.00 -1.64 0.00 0.00 178.16 177.61 3hdl h ALA 201 N 1.00 0.88 -0.51 1.82 0.00 -0.66 -0.48 119.26 121.31 3hdl h ALA 201 Ca 0.14 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hdl h ALA 201 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hdl h ALA 201 CO -0.01 0.16 0.26 0.00 0.00 0.00 0.00 179.25 179.67 3hdl h ALA 202 N 1.30 0.65 -0.43 0.00 0.00 -1.10 0.42 119.26 120.10 3hdl h ALA 202 Ca 0.27 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3hdl h ALA 202 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hdl h ALA 202 CO -0.12 -0.08 -0.30 -0.07 0.00 0.00 0.00 179.25 178.69 3hdl h LEU 203 N 0.51 0.98 -0.81 0.00 3.38 -1.23 -2.74 115.31 115.39 3hdl h LEU 203 Ca 0.22 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3hdl h LEU 203 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3hdl h LEU 203 CO -0.15 1.19 0.42 -0.07 0.09 0.00 0.00 178.44 179.92 3hdl h LEU 204 N 0.79 1.04 -1.38 1.67 3.38 -0.68 -2.60 115.31 117.53 3hdl h LEU 204 Ca 0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hdl h LEU 204 Cb 0.87 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hdl h LEU 204 CO 0.08 0.86 -0.02 0.03 0.09 0.00 0.00 178.44 179.49 3hdl h ARG 205 N 1.14 0.39 0.00 1.13 3.08 -0.81 0.27 114.38 119.58 3hdl h ARG 205 Ca 0.28 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hdl h ARG 205 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hdl h ARG 205 CO -0.04 0.43 0.00 -0.91 -1.07 0.00 0.00 179.97 178.38 3hdl h ASN 206 N 0.38 0.00 0.01 7.04 2.35 -1.16 -3.22 115.58 120.97 3hdl h ASN 206 Ca 0.08 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.46 3hdl h ASN 206 Cb 0.28 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 3hdl h ASN 206 CO 0.01 0.00 -2.41 0.41 -1.65 0.00 0.00 177.43 173.79 3hdl n THR 207 N -2.85 1.46 -3.94 2.81 -1.04 -0.63 -4.93 114.28 105.16 3hdl n THR 207 Ca 0.02 -0.70 -0.35 0.00 -2.04 0.00 0.00 64.05 60.98 3hdl n THR 207 Cb 0.33 -1.01 -0.14 0.00 -1.82 0.00 0.00 70.33 67.69 3hdl n THR 207 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hdl s PRO 209 N 1.31 3.19 0.54 0.00 0.02 -1.26 -4.59 135.00 134.19 3hdl s PRO 209 Ca -0.01 1.60 0.23 0.00 0.02 0.00 0.00 61.00 62.84 3hdl s PRO 209 Cb -0.18 -1.98 1.48 0.00 0.02 0.00 0.00 34.50 33.84 3hdl s PRO 209 CO -0.03 -0.98 2.15 0.00 -0.33 0.00 0.00 177.00 177.81 3hdl h ALA 210 N 0.93 1.63 -0.36 -1.55 0.00 -1.97 -2.38 119.26 115.57 3hdl h ALA 210 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3hdl h ALA 210 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hdl h ALA 210 CO 0.56 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.15 3hdl n ASN 211 N -4.07 2.88 -4.73 0.00 0.23 -1.26 -4.95 115.26 103.37 3hdl n ASN 211 Ca -0.03 -2.26 -0.42 0.00 -0.53 0.00 0.00 54.58 51.34 3hdl n ASN 211 Cb 0.14 -0.44 -0.01 0.00 -2.08 0.00 0.00 39.78 37.40 3hdl n ASN 211 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3hdl n SER 212 N 0.51 3.18 -4.55 0.53 7.64 -0.90 -5.03 113.62 115.00 3hdl n SER 212 Ca 0.14 1.21 -0.31 0.00 1.01 0.00 0.00 58.87 60.93 3hdl n SER 212 Cb 0.56 -1.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.14 3hdl n SER 212 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hdl s THR 213 N -1.02 0.99 0.06 0.44 -4.23 -1.26 -4.65 115.64 105.97 3hdl s THR 213 Ca 0.55 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.37 3hdl s THR 213 Cb -0.53 -2.23 0.32 0.00 1.34 0.00 0.00 72.50 71.40 3hdl s THR 213 CO 0.62 0.00 1.93 0.08 -0.54 0.00 0.00 174.62 176.71 3hdl h ARG 214 N 1.49 0.00 -0.00 3.99 0.11 -1.93 -1.04 114.38 116.99 3hdl h ARG 214 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3hdl h ARG 214 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3hdl h ARG 214 CO 0.69 0.00 -0.53 1.19 0.10 0.00 0.00 179.97 181.41 3hdl n PHE 215 N -2.62 0.00 -2.18 4.08 3.72 -1.26 -4.43 117.46 114.77 3hdl n PHE 215 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 3hdl n PHE 215 Cb 0.12 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 3hdl n PHE 215 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3hdl s THR 216 N -2.82 3.79 -0.16 4.37 2.01 -0.39 -4.87 115.64 117.57 3hdl s THR 216 Ca 0.15 0.89 -0.05 0.00 0.31 0.00 0.00 61.69 62.99 3hdl s THR 216 Cb 0.18 -3.80 -0.20 0.00 0.01 0.00 0.00 72.50 68.68 3hdl s THR 216 CO 0.67 -0.33 3.02 -0.81 -0.69 0.00 0.00 174.62 176.48 3hdl n PRO 217 N 7.57 1.81 -4.15 4.92 -0.04 -1.26 -4.73 135.00 139.12 3hdl n PRO 217 Ca 0.18 -0.95 -0.29 0.00 -0.04 0.00 0.00 63.50 62.40 3hdl n PRO 217 Cb 0.45 -2.00 -0.17 0.00 -0.04 0.00 0.00 33.50 31.75 3hdl n PRO 217 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hdl s ILE 218 N 1.51 1.45 0.19 0.52 1.01 -1.26 -5.11 121.20 119.51 3hdl s ILE 218 Ca 0.55 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.70 3hdl s ILE 218 Cb 0.25 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3hdl s ILE 218 CO -0.01 0.44 -0.15 0.42 0.00 0.00 0.00 174.94 175.64 3hdl s THR 219 N 1.35 1.73 -0.01 2.92 -4.23 -1.26 -1.64 115.64 114.49 3hdl s THR 219 Ca 0.01 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 58.44 3hdl s THR 219 Cb -0.13 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3hdl s THR 219 CO -0.07 -0.50 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.76 3hdl s VAL 220 N -2.65 0.47 0.23 2.29 1.01 0.10 -4.92 120.40 116.93 3hdl s VAL 220 Ca 0.19 -0.21 -0.32 0.00 0.00 0.00 0.00 61.98 61.65 3hdl s VAL 220 Cb -0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 36.38 35.80 3hdl s VAL 220 CO 0.06 0.15 1.56 -1.20 0.00 0.00 0.00 175.10 175.67 3hdl n SER 221 N 3.24 3.33 -0.07 3.32 7.64 -1.26 -0.81 113.62 129.01 3hdl n SER 221 Ca -0.17 1.11 -0.03 0.00 1.01 0.00 0.00 58.87 60.80 3hdl n SER 221 Cb 0.56 -1.49 0.20 0.00 -1.01 0.00 0.00 64.21 62.46 3hdl n SER 221 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3hdl h LEU 222 N 5.27 0.66 -8.09 -3.43 3.38 -1.52 -3.40 115.31 108.18 3hdl h LEU 222 Ca -0.45 -0.16 -0.69 0.00 0.09 0.00 0.00 57.88 56.67 3hdl h LEU 222 Cb 1.24 -0.17 -0.31 0.00 0.09 0.00 0.00 40.66 41.51 3hdl h LEU 222 CO 0.84 0.75 -0.63 -0.62 0.09 0.00 0.00 178.44 178.87 3hdl s ASP 223 N -6.69 5.16 0.31 -0.43 2.15 -1.23 -4.39 116.67 111.55 3hdl s ASP 223 Ca -0.09 -1.31 0.26 0.00 0.43 0.00 0.00 52.55 51.84 3hdl s ASP 223 Cb 0.15 -1.81 0.97 0.00 -0.30 0.00 0.00 42.92 41.93 3hdl s ASP 223 CO 0.80 -0.34 1.77 -0.29 -0.17 0.00 0.00 175.17 176.94 3hdl h ILE 224 N 6.31 0.00 0.00 4.11 2.10 -1.87 -2.84 117.51 125.31 3hdl h ILE 224 Ca -0.21 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.35 3hdl h ILE 224 Cb 1.07 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 3hdl h ILE 224 CO 0.59 0.00 -0.09 0.40 -1.08 0.00 0.00 178.15 177.97 3hdl h ILE 225 N 0.00 0.00 -2.77 2.19 2.04 -1.93 -3.42 117.51 113.62 3hdl h ILE 225 Ca 0.00 -0.64 -0.61 0.00 1.00 0.00 0.00 64.86 64.61 3hdl h ILE 225 Cb 0.51 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.19 3hdl h ILE 225 CO 0.00 0.00 -0.69 0.35 0.00 0.00 0.00 178.15 177.81 3hdl n THR 226 N -3.78 0.93 0.33 -0.27 -2.24 -1.25 -4.99 114.28 103.02 3hdl n THR 226 Ca -0.01 -4.52 0.21 0.00 -2.27 0.00 0.00 64.05 57.46 3hdl n THR 226 Cb 0.05 -2.04 1.15 0.00 -2.10 0.00 0.00 70.33 67.39 3hdl n THR 226 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hdl h PRO 227 N 5.26 0.00 -0.10 -0.78 0.13 -1.73 -2.43 132.00 132.35 3hdl h PRO 227 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hdl h PRO 227 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3hdl h PRO 227 CO 0.64 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 3hdl n SER 228 N -3.12 2.01 -4.32 1.44 7.64 -1.26 -3.34 113.62 112.67 3hdl n SER 228 Ca -0.03 -1.59 -0.34 0.00 1.01 0.00 0.00 58.87 57.92 3hdl n SER 228 Cb 0.11 -0.06 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 3hdl n SER 228 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hdl s VAL 229 N -0.76 3.08 -1.26 0.44 1.01 -0.91 -4.86 120.40 117.13 3hdl s VAL 229 Ca 0.11 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3hdl s VAL 229 Cb 0.07 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 34.15 3hdl s VAL 229 CO 0.09 0.48 1.75 -0.22 0.00 0.00 0.00 175.10 177.21 3hdl s LEU 230 N 0.95 3.70 0.00 3.92 2.96 0.08 -4.49 118.68 125.80 3hdl s LEU 230 Ca -0.02 -2.25 0.00 0.00 -0.22 0.00 0.00 54.13 51.64 3hdl s LEU 230 Cb -0.15 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 43.96 3hdl s LEU 230 CO -0.01 -1.49 0.00 -0.90 -1.32 0.00 0.00 176.35 172.64 3hdl n ASP 231 N 9.36 1.31 -0.84 3.68 5.68 -1.26 -4.45 116.55 130.02 3hdl n ASP 231 Ca 0.47 -0.69 0.08 0.00 -0.50 0.00 0.00 54.79 54.15 3hdl n ASP 231 Cb 0.46 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.65 3hdl n ASP 231 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3hdl n ASN 232 N -1.17 2.45 0.26 -1.12 6.94 -1.26 -4.26 115.26 117.10 3hdl n ASN 232 Ca 0.00 -1.99 0.17 0.00 -0.02 0.00 0.00 54.58 52.74 3hdl n ASN 232 Cb 0.00 -0.30 0.76 0.00 -2.36 0.00 0.00 39.78 37.88 3hdl n ASN 232 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3hdl h MET 233 N 2.70 0.00 -0.75 -3.83 2.86 -1.92 -1.85 114.93 112.14 3hdl h MET 233 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3hdl h MET 233 Cb 0.62 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.21 3hdl h MET 233 CO 0.00 0.00 0.42 -0.92 1.06 0.00 0.00 176.91 177.47 3hdl h TYR 234 N 0.00 0.77 -0.30 -0.22 3.20 -1.89 -0.53 116.97 118.00 3hdl h TYR 234 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3hdl h TYR 234 Cb 0.36 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3hdl h TYR 234 CO 0.00 0.34 -0.15 1.88 -1.64 0.00 0.00 178.16 178.59 3hdl h TYR 235 N 0.74 0.73 -0.67 -3.82 -1.99 -1.67 -1.23 116.97 109.07 3hdl h TYR 235 Ca 0.35 -0.18 0.11 0.00 2.00 0.00 0.00 58.73 61.01 3hdl h TYR 235 Cb 0.27 -0.17 -0.08 0.00 2.00 0.00 0.00 36.73 38.75 3hdl h TYR 235 CO -0.07 0.87 0.25 1.15 -0.00 0.00 0.00 178.16 180.36 3hdl h THR 236 N 0.39 0.72 -0.57 -2.88 2.02 -1.44 -1.61 112.91 109.54 3hdl h THR 236 Ca 0.07 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 3hdl h THR 236 Cb 0.68 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3hdl h THR 236 CO 0.05 0.08 0.04 1.23 0.37 0.00 0.00 175.52 177.28 3hdl h GLY 237 N 0.42 1.05 1.32 2.16 0.00 -0.85 -2.91 103.07 104.26 3hdl h GLY 237 Ca 0.35 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3hdl h GLY 237 CO -0.35 0.69 0.39 -2.08 0.00 0.00 0.00 176.54 175.19 3hdl h VAL 238 N 0.86 1.19 0.00 4.60 2.07 -0.51 0.64 116.25 125.11 3hdl h VAL 238 Ca 0.16 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hdl h VAL 238 Cb 0.50 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3hdl h VAL 238 CO 0.02 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.81 3hdl n GLN 239 N -4.40 0.23 -0.46 1.57 6.02 -0.67 -3.31 117.38 116.35 3hdl n GLN 239 Ca 0.07 0.36 0.08 0.00 -0.01 0.00 0.00 57.00 57.50 3hdl n GLN 239 Cb 0.07 -1.87 0.27 0.00 1.02 0.00 0.00 30.24 29.74 3hdl n GLN 239 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hdl n LEU 240 N -2.28 4.02 -1.04 1.08 4.77 -0.53 -4.93 117.00 118.08 3hdl n LEU 240 Ca 0.03 -2.72 -0.13 0.00 -0.03 0.00 0.00 56.01 53.16 3hdl n LEU 240 Cb 0.30 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3hdl n LEU 240 CO 0.24 0.70 -0.13 0.35 -1.33 0.00 0.00 177.39 177.22 3hdl n THR 241 N 0.04 -0.02 0.44 -5.08 -2.24 -1.18 -4.82 114.28 101.43 3hdl n THR 241 Ca 0.21 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.08 3hdl n THR 241 Cb 0.83 -1.47 0.13 0.00 -2.10 0.00 0.00 70.33 67.72 3hdl n THR 241 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hdl n LEU 242 N -1.53 2.88 -4.74 3.22 4.77 0.11 -1.77 117.00 119.93 3hdl n LEU 242 Ca -0.13 -1.32 -0.42 0.00 -0.03 0.00 0.00 56.01 54.11 3hdl n LEU 242 Cb 0.44 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3hdl n LEU 242 CO 0.20 0.59 1.27 -0.83 -1.33 0.00 0.00 177.39 177.29 3hdl s GLY 243 N -1.39 1.87 -0.15 -0.72 0.00 -1.12 -4.73 107.32 101.08 3hdl s GLY 243 Ca 0.27 1.56 -0.24 0.00 0.00 0.00 0.00 44.72 46.31 3hdl s GLY 243 CO 0.24 2.62 0.56 -2.00 0.00 0.00 0.00 173.10 174.53 3hdl h LEU 244 N 5.43 0.08-10.09 0.66 5.85 -1.93 -3.44 115.31 111.88 3hdl h LEU 244 Ca -0.46 -0.81 -0.48 0.00 0.84 0.00 0.00 57.88 56.98 3hdl h LEU 244 Cb 1.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3hdl h LEU 244 CO 0.84 1.28 0.20 -0.76 -0.34 0.00 0.00 178.44 179.66 3hdl s LEU 245 N -7.98 3.91 0.26 2.25 1.43 -1.26 -4.89 118.68 112.39 3hdl s LEU 245 Ca -0.22 1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 3hdl s LEU 245 Cb 0.01 -4.23 0.47 0.00 0.03 0.00 0.00 46.19 42.47 3hdl s LEU 245 CO 0.68 -0.35 1.79 0.74 0.23 0.00 0.00 176.35 179.44 3hdl h THR 246 N 1.56 0.84 0.00 5.49 2.02 -1.84 -0.72 112.91 120.25 3hdl h THR 246 Ca -0.48 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 3hdl h THR 246 Cb 1.18 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3hdl h THR 246 CO 0.63 0.13 -0.19 0.77 0.37 0.00 0.00 175.52 177.24 3hdl h SER 247 N 0.74 0.00 0.14 4.18 4.64 -1.12 -0.04 113.55 122.08 3hdl h SER 247 Ca 0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 3hdl h SER 247 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3hdl h SER 247 CO -0.30 0.19 -0.07 0.44 -0.87 0.00 0.00 176.83 176.23 3hdl h ASP 248 N 0.00 -0.16 -0.12 4.97 3.32 -1.47 -3.23 116.42 119.73 3hdl h ASP 248 Ca -0.00 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 3hdl h ASP 248 Cb 0.55 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3hdl h ASP 248 CO 0.02 0.32 0.01 -0.61 -1.72 0.00 0.00 179.24 177.27 3hdl h GLN 249 N -0.69 0.30 -0.89 3.56 -0.00 -1.09 -2.00 115.11 114.30 3hdl h GLN 249 Ca -0.02 -0.04 0.26 0.00 -0.00 0.00 0.00 58.65 58.85 3hdl h GLN 249 Cb 0.51 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 27.90 3hdl h GLN 249 CO 0.03 0.31 0.75 0.00 0.00 0.00 0.00 178.83 179.92 3hdl h ALA 250 N 1.73 2.76 0.00 3.38 0.00 -1.02 -1.22 119.26 124.88 3hdl h ALA 250 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hdl h ALA 250 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hdl h ALA 250 CO 0.00 -1.20 0.00 1.28 0.00 0.00 0.00 179.25 179.33 3hdl n LEU 251 N -3.93 0.08 -0.51 0.00 4.77 -0.75 -1.78 117.00 114.88 3hdl n LEU 251 Ca 0.19 0.52 0.09 0.00 -0.03 0.00 0.00 56.01 56.78 3hdl n LEU 251 Cb 1.05 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.83 3hdl n LEU 251 CO 0.34 -0.31 0.64 1.33 -1.33 0.00 0.00 177.39 178.06 3hdl n VAL 252 N -1.59 2.05 0.97 4.08 0.24 -0.46 -2.28 118.33 121.34 3hdl n VAL 252 Ca 0.03 -2.01 0.12 0.00 -2.04 0.00 0.00 64.34 60.44 3hdl n VAL 252 Cb 0.16 -0.21 0.09 0.00 -1.47 0.00 0.00 33.84 32.41 3hdl n VAL 252 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hdl n THR 253 N -0.89 0.00 -3.94 3.34 -2.24 -0.73 -4.82 114.28 105.00 3hdl n THR 253 Ca 0.18 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 3hdl n THR 253 Cb 0.76 1.47 -0.15 0.00 -2.10 0.00 0.00 70.33 70.31 3hdl n THR 253 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hdl s GLU 254 N -1.97 0.15 0.19 -0.78 2.12 -1.26 -5.06 118.70 112.09 3hdl s GLU 254 Ca 0.26 -0.01 -0.22 0.00 0.36 0.00 0.00 54.97 55.36 3hdl s GLU 254 Cb 0.19 -0.21 0.12 0.00 0.26 0.00 0.00 34.13 34.50 3hdl s GLU 254 CO 0.31 -0.01 1.57 0.00 -0.54 0.00 0.00 175.26 176.59 3hdl h ALA 255 N 6.41 -0.09 -0.46 6.30 0.00 -1.94 0.13 119.26 129.61 3hdl h ALA 255 Ca -0.30 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3hdl h ALA 255 Cb 1.18 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 3hdl h ALA 255 CO 0.50 -0.72 -0.12 -0.91 0.00 0.00 0.00 179.25 178.00 3hdl h ASN 256 N -0.13 0.83 -0.26 0.00 4.21 -1.98 -1.28 115.58 116.98 3hdl h ASN 256 Ca 0.25 -0.26 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 3hdl h ASN 256 Cb 0.56 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3hdl h ASN 256 CO -0.79 0.96 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.16 3hdl h LEU 257 N 0.75 0.52 -1.17 1.61 3.38 -1.60 -2.48 115.31 116.32 3hdl h LEU 257 Ca 0.12 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3hdl h LEU 257 Cb 0.62 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3hdl h LEU 257 CO 0.04 0.79 0.56 -1.28 0.09 0.00 0.00 178.44 178.64 3hdl h SER 258 N 0.25 0.97 -0.52 -0.43 0.87 -0.33 -0.19 113.55 114.17 3hdl h SER 258 Ca 0.06 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3hdl h SER 258 Cb 0.57 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3hdl h SER 258 CO 0.03 0.70 0.01 0.00 -0.53 0.00 0.00 176.83 177.04 3hdl h ALA 259 N 1.47 0.96 -0.43 6.23 0.00 -1.18 -1.08 119.26 125.25 3hdl h ALA 259 Ca 0.31 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3hdl h ALA 259 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3hdl h ALA 259 CO -0.07 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 3hdl h ALA 260 N 1.12 0.58 -0.45 0.00 0.00 -0.86 -1.00 119.26 118.65 3hdl h ALA 260 Ca 0.16 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hdl h ALA 260 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hdl h ALA 260 CO 0.02 0.40 0.24 0.28 0.00 0.00 0.00 179.25 180.20 3hdl h VAL 261 N 0.61 1.00 -0.39 0.00 2.07 -0.88 -0.54 116.25 118.12 3hdl h VAL 261 Ca 0.12 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3hdl h VAL 261 Cb 0.54 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3hdl h VAL 261 CO 0.03 0.09 0.25 0.50 0.02 0.00 0.00 177.57 178.46 3hdl h LYS 262 N 0.49 0.49 -0.61 1.57 3.64 -1.02 -0.90 116.57 120.23 3hdl h LYS 262 Ca 0.19 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3hdl h LYS 262 Cb 0.06 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3hdl h LYS 262 CO -0.11 0.33 0.22 0.00 -2.27 0.00 0.00 179.45 177.62 3hdl h ALA 263 N 1.15 0.80 -0.38 5.00 0.00 -0.84 -2.40 119.26 122.58 3hdl h ALA 263 Ca 0.15 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3hdl h ALA 263 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hdl h ALA 263 CO -0.04 0.44 -0.26 -0.91 0.00 0.00 0.00 179.25 178.48 3hdl h ASN 264 N 0.87 0.82 0.41 0.00 2.35 -0.87 -2.72 115.58 116.44 3hdl h ASN 264 Ca 0.20 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 3hdl h ASN 264 Cb 0.24 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hdl h ASN 264 CO -0.01 1.04 -0.21 0.00 -1.65 0.00 0.00 177.43 176.60 3hdl h ALA 265 N 1.02 1.33 0.00 -0.83 0.00 -0.98 -3.02 119.26 116.77 3hdl h ALA 265 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hdl h ALA 265 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hdl h ALA 265 CO 0.07 0.26 -0.86 -1.33 0.00 0.00 0.00 179.25 177.39 3hdl n MET 266 N -3.82 0.36 -3.48 0.00 2.81 -0.92 -4.77 117.12 107.30 3hdl n MET 266 Ca -0.02 0.06 -0.25 0.00 -1.81 0.00 0.00 57.70 55.68 3hdl n MET 266 Cb 0.31 -1.68 -0.13 0.00 -0.71 0.00 0.00 33.22 31.01 3hdl n MET 266 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3hdl s ASN 267 N -4.37 2.83 0.13 7.83 3.84 -1.05 -5.01 114.94 119.14 3hdl s ASN 267 Ca 0.04 -1.30 -0.19 0.00 0.21 0.00 0.00 52.86 51.62 3hdl s ASN 267 Cb 0.13 -0.08 -0.04 0.00 -0.55 0.00 0.00 41.25 40.71 3hdl s ASN 267 CO 0.76 -0.40 1.77 0.25 -2.79 0.00 0.00 177.10 176.70 3hdl h LEU 268 N 8.09 0.22 -0.69 3.21 5.85 -1.86 -1.96 115.31 128.17 3hdl h LEU 268 Ca -0.13 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3hdl h LEU 268 Cb 1.02 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3hdl h LEU 268 CO 0.37 0.16 0.42 0.74 -0.34 0.00 0.00 178.44 179.79 3hdl h THR 269 N 0.28 1.07 -0.17 1.05 2.02 -1.95 0.78 112.91 115.99 3hdl h THR 269 Ca 0.09 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3hdl h THR 269 Cb -0.00 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3hdl h THR 269 CO -0.05 0.15 0.01 0.00 0.37 0.00 0.00 175.52 176.00 3hdl h ALA 270 N 1.31 0.23 -0.38 6.16 0.00 -1.92 -2.16 119.26 122.51 3hdl h ALA 270 Ca 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hdl h ALA 270 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hdl h ALA 270 CO -0.12 -0.07 0.17 2.35 0.00 0.00 0.00 179.25 181.58 3hdl h TRP 271 N 0.06 0.56 -0.94 0.00 7.01 -1.06 -2.30 115.95 119.28 3hdl h TRP 271 Ca 0.05 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.06 3hdl h TRP 271 Cb 0.37 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.20 3hdl h TRP 271 CO 0.03 0.49 0.61 0.00 -2.79 0.00 0.00 178.44 176.78 3hdl h ALA 272 N 1.01 1.26 -0.49 2.65 0.00 -0.80 0.38 119.26 123.27 3hdl h ALA 272 Ca 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hdl h ALA 272 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hdl h ALA 272 CO -0.01 0.45 0.08 1.03 0.00 0.00 0.00 179.25 180.80 3hdl h SER 273 N 1.15 0.78 -0.37 0.00 0.87 -1.25 -1.53 113.55 113.19 3hdl h SER 273 Ca 0.39 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 3hdl h SER 273 Cb 0.06 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3hdl h SER 273 CO -0.14 0.84 -0.06 0.11 -0.53 0.00 0.00 176.83 177.05 3hdl h LYS 274 N 0.68 0.79 -0.23 2.24 1.57 -0.75 -2.02 116.57 118.85 3hdl h LYS 274 Ca 0.15 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3hdl h LYS 274 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hdl h LYS 274 CO 0.01 0.83 0.11 0.35 -0.57 0.00 0.00 179.45 180.18 3hdl h PHE 275 N 0.72 0.34 -0.37 -1.35 3.57 -0.04 0.10 116.94 119.91 3hdl h PHE 275 Ca 0.13 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 3hdl h PHE 275 Cb 0.52 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3hdl h PHE 275 CO 0.03 0.34 0.12 0.00 -2.23 0.00 0.00 178.31 176.56 3hdl h ALA 276 N 0.97 0.43 -0.73 2.41 0.00 -1.14 0.72 119.26 121.92 3hdl h ALA 276 Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hdl h ALA 276 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3hdl h ALA 276 CO -0.01 -0.28 0.32 1.96 0.00 0.00 0.00 179.25 181.24 3hdl h GLN 277 N 0.27 1.07 -0.30 0.00 4.20 -1.11 -2.08 115.11 117.16 3hdl h GLN 277 Ca 0.17 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3hdl h GLN 277 Cb 0.16 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hdl h GLN 277 CO -0.19 0.86 -0.34 0.00 -0.67 0.00 0.00 178.83 178.49 3hdl h ALA 278 N 1.15 0.85 -0.61 3.87 0.00 -0.34 -1.77 119.26 122.41 3hdl h ALA 278 Ca 0.25 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hdl h ALA 278 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hdl h ALA 278 CO -0.03 0.64 0.36 0.52 0.00 0.00 0.00 179.25 180.74 3hdl h MET 279 N 0.55 0.83 -0.77 0.00 2.86 -0.62 0.12 114.93 117.90 3hdl h MET 279 Ca 0.06 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3hdl h MET 279 Cb 0.85 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 3hdl h MET 279 CO 0.07 0.60 0.46 0.28 1.06 0.00 0.00 176.91 179.39 3hdl h VAL 280 N 0.83 1.22 -0.39 -2.22 2.07 -1.14 -0.81 116.25 115.81 3hdl h VAL 280 Ca 0.22 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3hdl h VAL 280 Cb -0.01 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3hdl h VAL 280 CO -0.04 0.23 -0.08 0.50 0.02 0.00 0.00 177.57 178.20 3hdl h LYS 281 N 1.05 0.75 -0.95 1.57 3.64 -0.94 -2.95 116.57 118.73 3hdl h LYS 281 Ca 0.28 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3hdl h LYS 281 Cb -0.04 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 3hdl h LYS 281 CO -0.05 0.88 0.63 1.98 -2.27 0.00 0.00 179.45 180.62 3hdl h MET 282 N 0.56 1.23 0.00 1.90 4.05 -0.51 -2.16 114.93 120.00 3hdl h MET 282 Ca 0.10 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3hdl h MET 282 Cb 0.60 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3hdl h MET 282 CO 0.04 0.82 0.00 0.41 0.23 0.00 0.00 176.91 178.40 3hdl n GLY 283 N -1.39 -0.67 0.01 1.39 0.00 -0.33 -2.33 105.19 101.88 3hdl n GLY 283 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3hdl n GLY 283 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hdl n GLN 284 N -0.67 2.67 -2.10 1.61 6.02 -0.81 -4.86 117.38 119.24 3hdl n GLN 284 Ca 0.05 -1.71 -0.42 0.00 -0.01 0.00 0.00 57.00 54.91 3hdl n GLN 284 Cb 0.02 -1.10 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 3hdl n GLN 284 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hdl s ILE 285 N -1.36 3.73 -1.53 5.09 1.01 -0.98 -3.87 121.20 123.29 3hdl s ILE 285 Ca 0.06 0.88 -0.05 0.00 0.00 0.00 0.00 60.65 61.54 3hdl s ILE 285 Cb 0.05 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.98 3hdl s ILE 285 CO 0.01 -0.11 0.38 -0.62 0.00 0.00 0.00 174.94 174.60 3hdl n GLU 286 N 7.10 -2.45 -2.77 2.79 1.02 -1.26 -1.55 120.64 123.52 3hdl n GLU 286 Ca 0.17 0.29 -0.34 0.00 -0.02 0.00 0.00 57.16 57.26 3hdl n GLU 286 Cb 0.43 -4.38 -0.06 0.00 -0.02 0.00 0.00 31.44 27.41 3hdl n GLU 286 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hdl s VAL 287 N -3.92 4.25 0.04 2.62 -7.23 -1.25 -4.22 120.40 110.69 3hdl s VAL 287 Ca 0.19 1.53 -0.20 0.00 -1.81 0.00 0.00 61.98 61.70 3hdl s VAL 287 Cb -0.11 -3.70 -0.06 0.00 0.56 0.00 0.00 36.38 33.08 3hdl s VAL 287 CO 0.94 -0.18 0.57 -0.76 -0.31 0.00 0.00 175.10 175.36 3hdl s LEU 288 N -2.89 4.49 0.25 1.32 1.43 -1.26 -4.99 118.68 117.02 3hdl s LEU 288 Ca 0.59 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 3hdl s LEU 288 Cb -0.13 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 3hdl s LEU 288 CO 0.17 0.22 0.16 0.42 0.23 0.00 0.00 176.35 177.55 3hdl s THR 289 N -0.77 0.10 0.00 5.49 -4.23 -1.26 -0.50 115.64 114.46 3hdl s THR 289 Ca 0.29 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3hdl s THR 289 Cb -0.19 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3hdl s THR 289 CO 0.18 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 3hdl n GLY 290 N -0.40 1.80 0.67 3.99 0.00 -1.26 -1.41 105.19 108.57 3hdl n GLY 290 Ca 0.03 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.32 3hdl n GLY 290 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hdl n THR 291 N 0.00 0.22 -2.03 2.61 -2.24 -1.26 -4.99 114.28 106.59 3hdl n THR 291 Ca 0.00 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 60.80 3hdl n THR 291 Cb 0.00 1.14 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 3hdl n THR 291 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hdl s GLN 292 N -1.21 3.26 3.25 -0.78 -0.21 -0.50 -4.78 119.66 118.69 3hdl s GLN 292 Ca 0.21 1.92 0.00 0.00 0.02 0.00 0.00 55.36 57.51 3hdl s GLN 292 Cb 0.14 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.98 3hdl s GLN 292 CO 0.20 -0.99 0.00 0.41 -2.12 0.00 0.00 175.29 172.78 3hdl n GLY 293 N 0.54 1.07 3.41 3.09 0.00 -1.26 -4.61 105.19 107.43 3hdl n GLY 293 Ca 0.11 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 3hdl n GLY 293 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hdl s GLU 294 N 0.00 1.59 -0.56 1.61 -1.05 -0.40 -4.89 118.70 115.00 3hdl s GLU 294 Ca 0.00 -1.61 -0.19 0.00 -0.15 0.00 0.00 54.97 53.03 3hdl s GLU 294 Cb 0.00 0.39 0.10 0.00 -0.44 0.00 0.00 34.13 34.18 3hdl s GLU 294 CO 0.00 -0.62 0.66 0.42 0.95 0.00 0.00 175.26 176.66 3hdl s ILE 295 N -3.67 4.88 0.12 1.83 -1.09 -1.26 -0.53 121.20 121.49 3hdl s ILE 295 Ca 0.32 -0.94 -0.31 0.00 -2.23 0.00 0.00 60.65 57.48 3hdl s ILE 295 Cb 0.02 -4.42 -0.09 0.00 -1.58 0.00 0.00 42.46 36.39 3hdl s ILE 295 CO 0.16 -1.02 1.49 -0.60 -1.23 0.00 0.00 174.94 173.74 3hdl s ARG 296 N 2.53 4.26 0.03 2.79 3.52 -1.26 -4.92 118.95 125.90 3hdl s ARG 296 Ca 0.11 2.21 -0.03 0.00 -0.13 0.00 0.00 55.73 57.89 3hdl s ARG 296 Cb -0.24 -3.26 -0.28 0.00 -1.56 0.00 0.00 34.95 29.61 3hdl s ARG 296 CO 0.07 -0.54 0.94 1.79 -0.81 0.00 0.00 175.30 176.75 3hdl h THR 297 N 4.25 1.26 -3.78 4.11 1.35 -1.94 -3.42 112.91 114.74 3hdl h THR 297 Ca -0.42 -2.88 -0.67 0.00 -0.55 0.00 0.00 66.41 61.89 3hdl h THR 297 Cb 1.20 2.81 -0.36 0.00 -1.73 0.00 0.00 68.15 70.08 3hdl h THR 297 CO 0.89 0.83 -0.79 0.21 -0.25 0.00 0.00 175.52 176.42 3hdl s ASN 298 N -7.01 4.42 0.53 5.36 3.84 -1.26 -4.96 114.94 115.86 3hdl s ASN 298 Ca -0.07 -1.30 0.33 0.00 0.21 0.00 0.00 52.86 52.03 3hdl s ASN 298 Cb 0.07 -1.58 1.80 0.00 -0.55 0.00 0.00 41.25 40.99 3hdl s ASN 298 CO 0.86 -0.19 2.01 0.00 -2.79 0.00 0.00 177.10 176.99 3hdl n SER 300 N -2.71 0.63 -3.76 0.00 7.64 -1.26 -4.03 113.62 110.13 3hdl n SER 300 Ca -0.02 -0.42 -0.13 0.00 1.01 0.00 0.00 58.87 59.31 3hdl n SER 300 Cb 0.12 0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 63.39 3hdl n SER 300 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hdl s VAL 301 N -2.83 0.02 0.69 0.44 0.11 -0.61 -1.16 120.40 117.07 3hdl s VAL 301 Ca 0.16 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 58.86 3hdl s VAL 301 Cb 0.18 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 3hdl s VAL 301 CO 0.63 -0.11 1.17 0.68 -3.33 0.00 0.00 175.10 174.14 3hdl s VAL 302 N -0.44 2.66 0.52 2.04 -7.23 -1.26 -4.48 120.40 112.20 3hdl s VAL 302 Ca -0.06 0.33 -0.21 0.00 -1.81 0.00 0.00 61.98 60.22 3hdl s VAL 302 Cb -0.04 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 33.96 3hdl s VAL 302 CO 0.02 -0.17 1.23 0.20 -0.31 0.00 0.00 175.10 176.07 3hdl s ASN 303 N -2.18 5.66 0.00 4.85 0.01 -1.26 -5.00 114.94 117.01 3hdl s ASN 303 Ca 0.72 2.46 0.00 0.00 -0.71 0.00 0.00 52.86 55.33 3hdl s ASN 303 Cb -0.26 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.79 3hdl s ASN 303 CO 0.43 -1.28 0.22 -1.54 -1.51 0.00 0.00 177.10 173.41