#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3had s ILE 13 N 0.00 4.64 -0.46 -0.18 1.01 -1.26 -5.02 121.20 119.93 3had s ILE 13 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 3had s ILE 13 Cb 0.00 -4.39 0.07 0.00 0.01 0.00 0.00 42.46 38.14 3had s ILE 13 CO 0.00 -0.91 0.38 -0.63 0.00 0.00 0.00 174.94 173.78 3had s ILE 14 N 3.27 5.22 0.13 2.92 1.01 -1.26 -4.78 121.20 127.70 3had s ILE 14 Ca 0.24 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 3had s ILE 14 Cb -0.15 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 3had s ILE 14 CO 0.17 -0.54 1.85 -0.69 0.00 0.00 0.00 174.94 175.73 3had s VAL 15 N 1.64 2.50 0.00 2.92 1.01 -1.26 -4.81 120.40 122.40 3had s VAL 15 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3had s VAL 15 Cb -0.23 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3had s VAL 15 CO 0.07 -0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.46 3had n LYS 16 N 5.75 0.43 -3.82 2.72 5.02 -1.26 -5.02 118.16 121.98 3had n LYS 16 Ca 0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.11 3had n LYS 16 Cb 0.38 -0.68 -0.13 0.00 -0.02 0.00 0.00 35.03 34.58 3had n LYS 16 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3had s HIS 17 N -1.37 3.07 -0.03 2.13 2.46 -1.26 -0.35 115.29 119.94 3had s HIS 17 Ca 0.00 -0.47 0.07 0.00 0.47 0.00 0.00 55.06 55.13 3had s HIS 17 Cb 0.00 -2.20 -0.01 0.00 -0.13 0.00 0.00 32.58 30.24 3had s HIS 17 CO 0.00 -0.35 -0.23 0.08 -2.47 0.00 0.00 174.74 171.77 3had s VAL 18 N 1.48 1.85 -0.22 0.89 1.01 0.85 -1.01 120.40 125.25 3had s VAL 18 Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 3had s VAL 18 Cb -0.15 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3had s VAL 18 CO 0.03 0.52 -0.03 -0.89 0.00 0.00 0.00 175.10 174.72 3had s THR 19 N -0.38 3.48 -0.26 3.92 2.01 0.19 -1.43 115.64 123.17 3had s THR 19 Ca 0.04 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 3had s THR 19 Cb -0.10 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.83 3had s THR 19 CO 0.01 0.42 0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 3had s VAL 20 N 1.42 3.43 -0.30 3.82 1.01 -0.51 0.54 120.40 129.81 3had s VAL 20 Ca 0.05 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3had s VAL 20 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3had s VAL 20 CO -0.02 0.18 0.17 -0.63 0.00 0.00 0.00 175.10 174.81 3had s ILE 21 N 1.42 4.98 0.00 2.22 1.01 -0.11 -0.53 121.20 130.20 3had s ILE 21 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3had s ILE 21 Cb -0.16 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3had s ILE 21 CO -0.01 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3had n GLY 22 N 5.03 1.62 2.03 6.18 0.00 0.17 -0.25 105.19 119.97 3had n GLY 22 Ca -0.14 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 3had n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3had n GLY 23 N 1.51 5.03 0.00 -0.02 0.00 -1.23 -3.84 105.19 106.64 3had n GLY 23 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3had n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3had n GLY 24 N -1.07 0.71 0.35 -0.02 0.00 -1.26 -4.08 105.19 99.83 3had n GLY 24 Ca 0.54 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 3had n GLY 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3had h LEU 25 N 0.00 -1.37 -0.02 0.99 5.85 -1.94 -0.06 115.31 118.77 3had h LEU 25 Ca 0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3had h LEU 25 Cb 0.00 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3had h LEU 25 CO 0.00 -0.33 -0.02 0.24 -0.34 0.00 0.00 178.44 177.98 3had h MET 26 N -0.37 0.05 -0.33 1.25 2.86 -1.92 -3.20 114.93 113.26 3had h MET 26 Ca 0.04 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 3had h MET 26 Cb 0.48 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 3had h MET 26 CO -0.40 0.55 -0.27 0.78 1.06 0.00 0.00 176.91 178.64 3had h GLY 27 N -0.45 -0.14 0.76 8.32 0.00 -1.64 -0.68 103.07 109.24 3had h GLY 27 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.72 3had h GLY 27 CO 0.01 -0.21 0.49 0.00 0.00 0.00 0.00 176.54 176.83 3had h ALA 28 N 0.85 1.08 -0.60 3.60 0.00 -1.12 -0.41 119.26 122.67 3had h ALA 28 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3had h ALA 28 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3had h ALA 28 CO -0.47 0.25 0.19 0.78 0.00 0.00 0.00 179.25 180.00 3had h GLY 29 N 0.92 1.00 0.95 0.00 0.00 -1.35 0.56 103.07 105.15 3had h GLY 29 Ca 0.34 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3had h GLY 29 CO -0.15 0.55 0.14 -2.22 0.00 0.00 0.00 176.54 174.85 3had h ILE 30 N 0.85 1.22 -0.19 2.60 2.04 -0.66 -1.69 117.51 121.68 3had h ILE 30 Ca 0.19 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.36 3had h ILE 30 Cb 0.28 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3had h ILE 30 CO -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 178.15 178.38 3had h ALA 31 N 0.99 0.14 0.14 1.87 0.00 -0.67 -1.01 119.26 120.73 3had h ALA 31 Ca 0.14 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3had h ALA 31 Cb 0.26 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3had h ALA 31 CO -0.00 -0.46 -0.20 0.37 0.00 0.00 0.00 179.25 178.96 3had h GLN 32 N 0.03 -0.38 -0.78 0.00 4.15 -0.63 -0.89 115.11 116.60 3had h GLN 32 Ca 0.09 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 3had h GLN 32 Cb 0.12 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 3had h GLN 32 CO -0.17 -0.25 0.38 0.28 -1.93 0.00 0.00 178.83 177.13 3had h VAL 33 N -0.40 1.24 -0.23 2.39 2.07 -1.16 0.29 116.25 120.45 3had h VAL 33 Ca 0.02 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3had h VAL 33 Cb 0.40 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3had h VAL 33 CO -0.09 0.29 0.12 0.00 0.02 0.00 0.00 177.57 177.91 3had h ALA 34 N 1.31 0.30 -0.59 1.67 0.00 -0.97 -1.82 119.26 119.16 3had h ALA 34 Ca 0.27 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3had h ALA 34 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3had h ALA 34 CO -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 179.25 179.13 3had h ALA 35 N 0.99 0.79 0.00 0.00 0.00 -0.71 -1.65 119.26 118.68 3had h ALA 35 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3had h ALA 35 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3had h ALA 35 CO -0.01 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.74 3had h ALA 36 N 1.00 1.41 -0.62 0.00 0.00 -0.26 -2.55 119.26 118.23 3had h ALA 36 Ca 0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3had h ALA 36 Cb 0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3had h ALA 36 CO 0.02 0.10 0.13 0.25 0.00 0.00 0.00 179.25 179.74 3had n THR 37 N -3.77 2.81 -0.64 0.00 -2.24 -0.70 -4.93 114.28 104.81 3had n THR 37 Ca -0.02 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 3had n THR 37 Cb 0.18 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3had n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3had n GLY 38 N 0.10 0.65 3.92 3.38 0.00 -0.96 -4.94 105.19 107.34 3had n GLY 38 Ca 0.34 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3had n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3had s HIS 39 N -2.00 3.50 -0.03 1.61 3.76 -0.66 -5.03 115.29 116.43 3had s HIS 39 Ca 0.00 0.36 -0.22 0.00 -0.15 0.00 0.00 55.06 55.05 3had s HIS 39 Cb 0.00 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 3had s HIS 39 CO 0.00 0.50 0.64 0.99 -0.85 0.00 0.00 174.74 176.02 3had s THR 40 N -1.64 4.96 -0.01 1.30 2.01 0.52 -4.22 115.64 118.56 3had s THR 40 Ca 0.38 1.34 0.04 0.00 0.31 0.00 0.00 61.69 63.76 3had s THR 40 Cb -0.12 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3had s THR 40 CO 0.27 0.34 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.71 3had s VAL 41 N 0.25 1.13 -0.15 3.82 1.01 -0.68 -0.10 120.40 125.67 3had s VAL 41 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3had s VAL 41 Cb -0.18 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3had s VAL 41 CO 0.18 0.30 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 3had s VAL 42 N -0.36 1.57 -0.22 2.92 1.01 -0.51 -0.03 120.40 124.77 3had s VAL 42 Ca 0.05 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3had s VAL 42 Cb -0.06 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3had s VAL 42 CO -0.00 0.45 0.20 -0.22 0.00 0.00 0.00 175.10 175.52 3had s LEU 43 N 1.49 4.15 0.02 3.92 2.96 0.20 -1.42 118.68 129.99 3had s LEU 43 Ca 0.05 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 3had s LEU 43 Cb -0.13 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3had s LEU 43 CO -0.11 0.07 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.16 3had s VAL 44 N 0.88 3.03 0.09 1.68 1.01 0.31 -0.96 120.40 126.44 3had s VAL 44 Ca 0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3had s VAL 44 Cb -0.13 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3had s VAL 44 CO 0.03 0.40 0.17 -0.67 0.00 0.00 0.00 175.10 175.03 3had n ASP 45 N 1.70 -0.49 0.05 3.32 -0.08 -1.03 0.42 116.55 120.44 3had n ASP 45 Ca -0.16 -1.37 -0.04 0.00 -1.51 0.00 0.00 54.79 51.72 3had n ASP 45 Cb 0.52 0.82 -0.08 0.00 2.34 0.00 0.00 41.12 44.72 3had n ASP 45 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3had h GLN 46 N 0.00 0.00 -4.26 -0.67 4.20 -1.88 -3.39 115.11 109.11 3had h GLN 46 Ca -0.07 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 3had h GLN 46 Cb 0.28 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.89 3had h GLN 46 CO 0.09 0.63 -0.69 -0.08 -0.67 0.00 0.00 178.83 178.11 3had s THR 47 N -2.79 0.27 0.18 -0.54 -1.32 -1.26 -4.96 115.64 105.22 3had s THR 47 Ca -0.00 -1.64 -0.10 0.00 -1.21 0.00 0.00 61.69 58.74 3had s THR 47 Cb 0.09 -1.28 0.07 0.00 -1.51 0.00 0.00 72.50 69.87 3had s THR 47 CO 0.80 -0.87 1.66 -0.33 -2.21 0.00 0.00 174.62 173.68 3had h GLU 48 N 3.45 1.01 -0.44 7.08 4.39 -1.97 -1.45 114.58 126.65 3had h GLU 48 Ca -0.34 -0.28 0.05 0.00 0.34 0.00 0.00 59.36 59.13 3had h GLU 48 Cb 1.16 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 3had h GLU 48 CO 0.60 0.95 0.18 -0.44 -1.16 0.00 0.00 179.01 179.14 3had h ASP 49 N 0.91 0.21 0.25 1.42 5.19 -1.98 0.99 116.42 123.42 3had h ASP 49 Ca 0.18 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 3had h ASP 49 Cb 0.44 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3had h ASP 49 CO 0.01 0.16 -0.12 0.40 -3.12 0.00 0.00 179.24 176.57 3had h ILE 50 N 0.36 0.75 -0.67 0.35 2.04 -1.92 -1.56 117.51 116.86 3had h ILE 50 Ca 0.20 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.11 3had h ILE 50 Cb 0.16 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 3had h ILE 50 CO -0.18 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.26 3had h LEU 51 N -0.35 0.52 -0.83 1.44 3.38 -0.60 0.58 115.31 119.46 3had h LEU 51 Ca -0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3had h LEU 51 Cb 0.27 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3had h LEU 51 CO 0.06 0.33 0.52 0.00 0.09 0.00 0.00 178.44 179.43 3had h ALA 52 N 1.37 1.13 -0.02 1.53 0.00 0.13 0.16 119.26 123.55 3had h ALA 52 Ca 0.31 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 3had h ALA 52 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3had h ALA 52 CO -0.20 0.27 -0.76 0.87 0.00 0.00 0.00 179.25 179.43 3had h LYS 53 N 0.96 0.19 -0.31 0.00 1.57 -0.44 -2.41 116.57 116.12 3had h LYS 53 Ca 0.36 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3had h LYS 53 Cb 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3had h LYS 53 CO -0.16 0.86 -0.00 0.77 -0.57 0.00 0.00 179.45 180.35 3had h SER 54 N 0.12 0.54 0.54 0.86 0.02 -0.04 -0.93 113.55 114.65 3had h SER 54 Ca -0.03 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 3had h SER 54 Cb 1.34 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3had h SER 54 CO 0.12 0.72 -0.33 0.50 -1.14 0.00 0.00 176.83 176.69 3had h LYS 55 N 0.34 0.00 -0.25 3.45 3.64 -0.99 -2.11 116.57 120.64 3had h LYS 55 Ca 0.09 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3had h LYS 55 Cb 0.45 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3had h LYS 55 CO 0.02 0.33 -0.27 -0.22 -2.27 0.00 0.00 179.45 177.04 3had h LYS 56 N 0.00 0.63 -0.83 1.90 3.64 -1.07 -1.78 116.57 119.08 3had h LYS 56 Ca -0.00 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3had h LYS 56 Cb 0.69 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3had h LYS 56 CO 0.04 0.95 0.53 0.78 -2.27 0.00 0.00 179.45 179.48 3had h GLY 57 N 0.35 1.17 0.89 5.01 0.00 -0.84 -1.00 103.07 108.65 3had h GLY 57 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3had h GLY 57 CO 0.07 0.44 0.08 -2.22 0.00 0.00 0.00 176.54 174.90 3had h ILE 58 N 1.12 1.21 -0.40 2.60 2.04 -1.19 -1.39 117.51 121.51 3had h ILE 58 Ca 0.30 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3had h ILE 58 Cb -0.11 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3had h ILE 58 CO -0.06 0.22 0.22 -0.08 0.00 0.00 0.00 178.15 178.45 3had h GLU 59 N 0.28 0.43 -0.25 2.37 4.81 -0.83 -0.08 114.58 121.30 3had h GLU 59 Ca 0.09 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3had h GLU 59 Cb 0.27 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3had h GLU 59 CO -0.00 0.28 0.10 0.93 -0.73 0.00 0.00 179.01 179.59 3had h GLU 60 N 0.44 0.21 -0.84 1.92 5.08 -1.03 0.15 114.58 120.52 3had h GLU 60 Ca 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3had h GLU 60 Cb 0.04 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3had h GLU 60 CO -0.09 0.14 0.50 1.03 -1.00 0.00 0.00 179.01 179.59 3had h SER 61 N 0.22 1.01 -0.34 1.42 0.87 -0.92 0.52 113.55 116.33 3had h SER 61 Ca 0.11 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3had h SER 61 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3had h SER 61 CO -0.10 0.79 0.02 -0.07 -0.53 0.00 0.00 176.83 176.94 3had h LEU 62 N 1.16 0.57 -0.40 2.23 3.38 -0.49 -2.88 115.31 118.87 3had h LEU 62 Ca 0.30 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3had h LEU 62 Cb -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3had h LEU 62 CO -0.06 0.72 0.18 0.03 0.09 0.00 0.00 178.44 179.40 3had h ARG 63 N 0.40 0.58 -0.99 1.13 3.08 -0.35 -0.58 114.38 117.66 3had h ARG 63 Ca 0.10 -0.09 0.22 0.00 0.07 0.00 0.00 59.98 60.28 3had h ARG 63 Cb 0.41 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.26 3had h ARG 63 CO 0.01 0.52 0.63 -0.22 -1.07 0.00 0.00 179.97 179.84 3had h LYS 64 N 0.51 0.54 0.14 0.04 3.64 -0.84 -0.62 116.57 119.98 3had h LYS 64 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3had h LYS 64 Cb 0.14 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3had h LYS 64 CO -0.02 0.36 -0.07 0.28 -2.27 0.00 0.00 179.45 177.73 3had h VAL 65 N 0.55 0.78 -0.80 2.00 2.07 -1.18 -3.34 116.25 116.33 3had h VAL 65 Ca 0.56 -1.21 0.18 0.00 0.82 0.00 0.00 66.70 67.06 3had h VAL 65 Cb 1.17 1.35 -0.12 0.00 -1.52 0.00 0.00 31.29 32.18 3had h VAL 65 CO -0.31 0.22 0.26 0.00 0.02 0.00 0.00 177.57 177.75 3had h ALA 66 N -0.43 1.13 -0.67 1.67 0.00 -0.33 -0.30 119.26 120.33 3had h ALA 66 Ca -0.02 0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.24 3had h ALA 66 Cb 0.50 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3had h ALA 66 CO 0.03 -0.33 0.48 0.87 0.00 0.00 0.00 179.25 180.30 3had h LYS 67 N 0.32 0.05 0.05 0.00 1.79 -1.26 0.68 116.57 118.21 3had h LYS 67 Ca 0.47 -0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.64 3had h LYS 67 Cb 0.83 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 3had h LYS 67 CO -0.52 0.03 -1.60 1.63 -1.08 0.00 0.00 179.45 177.91 3had n LYS 68 N -4.36 0.65 0.10 3.15 5.02 -0.22 -3.60 118.16 118.90 3had n LYS 68 Ca 0.13 0.44 -0.05 0.00 -2.02 0.00 0.00 58.31 56.81 3had n LYS 68 Cb 0.71 -1.73 0.11 0.00 -0.02 0.00 0.00 35.03 34.10 3had n LYS 68 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3had h LYS 69 N -0.55 0.15 -0.51 1.97 3.64 -0.88 -3.25 116.57 117.13 3had h LYS 69 Ca -0.39 -0.11 -0.24 0.00 -1.27 0.00 0.00 60.65 58.63 3had h LYS 69 Cb 1.62 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 33.31 3had h LYS 69 CO -0.09 0.76 0.10 1.19 -2.27 0.00 0.00 179.45 179.14 3had n PHE 70 N -3.79 1.58 -0.26 1.91 3.01 0.23 -4.72 117.46 115.42 3had n PHE 70 Ca -0.02 -1.59 0.06 0.00 1.01 0.00 0.00 57.45 56.91 3had n PHE 70 Cb 0.66 -0.59 0.19 0.00 -0.01 0.00 0.00 39.48 39.73 3had n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3had h ALA 71 N 1.13 1.06 0.00 4.37 0.00 -1.62 -0.45 119.26 123.76 3had h ALA 71 Ca 0.30 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3had h ALA 71 Cb 1.95 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3had h ALA 71 CO 0.55 -0.23 0.00 0.93 0.00 0.00 0.00 179.25 180.50 3had h GLU 72 N 0.42 0.00 -1.52 0.00 4.39 -1.89 -3.37 114.58 112.62 3had h GLU 72 Ca 0.42 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.81 3had h GLU 72 Cb 0.65 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.06 3had h GLU 72 CO -0.42 0.00 -0.67 1.21 -1.16 0.00 0.00 179.01 177.97 3had s ASN 73 N -4.60 -0.33 0.35 1.42 2.47 -0.22 -5.02 114.94 109.01 3had s ASN 73 Ca 0.04 -2.15 0.08 0.00 0.42 0.00 0.00 52.86 51.25 3had s ASN 73 Cb 0.09 1.03 0.77 0.00 -1.45 0.00 0.00 41.25 41.70 3had s ASN 73 CO 0.44 -0.11 1.88 1.55 -3.72 0.00 0.00 177.10 177.15 3had h PRO 74 N 5.41 0.72 0.16 0.43 0.13 -1.62 -2.67 132.00 134.57 3had h PRO 74 Ca 0.13 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.23 3had h PRO 74 Cb 1.04 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.97 3had h PRO 74 CO 0.15 0.48 -0.47 -0.22 -0.23 0.00 0.00 178.00 177.70 3had h LYS 75 N 0.74 -0.70 -0.66 0.86 3.64 -1.95 0.15 116.57 118.65 3had h LYS 75 Ca 0.43 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.96 3had h LYS 75 Cb 0.61 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 3had h LYS 75 CO -0.19 -0.47 0.26 0.00 -2.27 0.00 0.00 179.45 176.78 3had h ALA 76 N -0.38 0.87 -0.39 5.00 0.00 -1.87 -0.98 119.26 121.51 3had h ALA 76 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3had h ALA 76 Cb 0.73 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3had h ALA 76 CO -0.24 -0.18 0.03 0.78 0.00 0.00 0.00 179.25 179.63 3had h GLY 77 N 0.43 0.42 1.69 0.00 0.00 -0.93 0.10 103.07 104.78 3had h GLY 77 Ca 0.34 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.63 3had h GLY 77 CO -0.33 -0.08 -0.13 -0.55 0.00 0.00 0.00 176.54 175.45 3had h ASP 78 N 0.14 0.36 -0.33 0.19 3.32 0.27 -2.36 116.42 118.01 3had h ASP 78 Ca 0.19 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3had h ASP 78 Cb 0.26 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3had h ASP 78 CO -0.30 0.53 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.24 3had h GLU 79 N 0.35 0.70 -0.55 3.56 5.08 -0.11 0.31 114.58 123.93 3had h GLU 79 Ca 0.07 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.19 3had h GLU 79 Cb 0.44 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3had h GLU 79 CO 0.03 0.91 0.22 0.35 -1.00 0.00 0.00 179.01 179.52 3had h PHE 80 N 0.47 0.39 -0.30 4.33 3.57 -0.54 0.27 116.94 125.13 3had h PHE 80 Ca 0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3had h PHE 80 Cb 0.71 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3had h PHE 80 CO 0.06 0.14 0.05 0.28 -2.23 0.00 0.00 178.31 176.61 3had h VAL 81 N 0.42 1.23 0.07 1.41 2.07 -1.27 -2.29 116.25 117.89 3had h VAL 81 Ca 0.27 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3had h VAL 81 Cb 0.28 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3had h VAL 81 CO -0.25 0.26 -0.14 -0.33 0.02 0.00 0.00 177.57 177.13 3had h GLU 82 N 0.32 -0.26 -0.35 1.57 3.07 0.01 -0.30 114.58 118.64 3had h GLU 82 Ca 0.09 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.04 3had h GLU 82 Cb 0.33 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.23 3had h GLU 82 CO 0.01 -0.17 -0.11 -0.22 -1.40 0.00 0.00 179.01 177.11 3had h LYS 83 N -0.27 -0.04 -0.16 2.33 3.64 -0.48 -0.03 116.57 121.56 3had h LYS 83 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3had h LYS 83 Cb 0.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3had h LYS 83 CO -0.09 -0.02 0.09 1.15 -2.27 0.00 0.00 179.45 178.31 3had h THR 84 N -0.04 1.08 -0.74 1.00 2.02 -1.11 -2.64 112.91 112.48 3had h THR 84 Ca 0.17 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 3had h THR 84 Cb 0.30 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3had h THR 84 CO -0.38 0.08 0.30 -0.07 0.37 0.00 0.00 175.52 175.82 3had h LEU 85 N 0.17 1.01 0.00 2.58 -0.00 -0.72 -2.21 115.31 116.14 3had h LEU 85 Ca 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 3had h LEU 85 Cb 0.04 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 3had h LEU 85 CO -0.01 0.89 0.00 -1.54 -0.00 0.00 0.00 178.44 177.78 3had n SER 86 N -4.29 0.00 -1.39 -0.43 3.41 -0.06 -1.62 113.62 109.24 3had n SER 86 Ca 0.07 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.18 3had n SER 86 Cb 0.18 -0.45 0.32 0.00 -0.26 0.00 0.00 64.21 64.00 3had n SER 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3had n THR 87 N -1.45 1.29 -4.07 6.66 -1.04 -0.83 -4.80 114.28 110.04 3had n THR 87 Ca 0.04 -1.01 -0.32 0.00 -2.04 0.00 0.00 64.05 60.73 3had n THR 87 Cb 0.16 0.30 -0.16 0.00 -1.82 0.00 0.00 70.33 68.81 3had n THR 87 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3had s ILE 88 N -1.42 1.92 0.33 12.58 1.01 -0.64 -1.69 121.20 133.29 3had s ILE 88 Ca 0.47 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 60.13 3had s ILE 88 Cb 0.27 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3had s ILE 88 CO 0.28 0.32 0.41 0.00 0.00 0.00 0.00 174.94 175.95 3had s ALA 89 N 1.30 4.10 0.08 9.38 0.00 0.95 -4.95 121.76 132.61 3had s ALA 89 Ca 0.01 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.49 3had s ALA 89 Cb -0.15 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 3had s ALA 89 CO -0.10 -0.01 -0.13 0.95 0.00 0.00 0.00 175.76 176.48 3had s THR 90 N -2.21 1.03 -0.06 0.00 -4.23 -1.26 0.60 115.64 109.52 3had s THR 90 Ca 0.43 -1.37 -0.27 0.00 -1.18 0.00 0.00 61.69 59.30 3had s THR 90 Cb -0.08 -1.10 0.06 0.00 1.34 0.00 0.00 72.50 72.71 3had s THR 90 CO 0.29 -0.32 0.59 -0.55 -0.54 0.00 0.00 174.62 174.10 3had s SER 91 N -1.90 -0.55 0.00 3.99 0.15 -0.14 -4.88 113.70 110.37 3had s SER 91 Ca -0.01 0.62 0.21 0.00 0.70 0.00 0.00 55.95 57.47 3had s SER 91 Cb -0.08 0.55 0.15 0.00 -1.71 0.00 0.00 66.02 64.93 3had s SER 91 CO 0.02 -0.54 1.16 0.35 1.20 0.00 0.00 173.24 175.43 3had n THR 92 N 1.14 0.00 -3.83 6.45 -2.24 -1.26 -2.48 114.28 112.06 3had n THR 92 Ca -0.19 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 60.81 3had n THR 92 Cb 0.57 1.43 -0.14 0.00 -2.10 0.00 0.00 70.33 70.09 3had n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3had s ASP 93 N -1.83 4.01 0.23 3.42 2.15 -1.26 -4.79 116.67 118.60 3had s ASP 93 Ca 0.24 -2.78 -0.07 0.00 0.43 0.00 0.00 52.55 50.38 3had s ASP 93 Cb 0.18 -1.34 0.41 0.00 -0.30 0.00 0.00 42.92 41.87 3had s ASP 93 CO 0.29 -0.26 1.68 0.00 -0.17 0.00 0.00 175.17 176.71 3had h ALA 94 N 6.67 0.86 -0.98 3.66 0.00 -1.92 -2.13 119.26 125.42 3had h ALA 94 Ca -0.05 0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.18 3had h ALA 94 Cb 0.91 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3had h ALA 94 CO 0.58 -0.35 0.62 0.00 0.00 0.00 0.00 179.25 180.10 3had h ALA 95 N 1.59 1.63 0.00 0.00 0.00 -1.97 -0.65 119.26 119.86 3had h ALA 95 Ca 0.39 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3had h ALA 95 Cb 0.65 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3had h ALA 95 CO -0.51 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 177.70 3had n SER 96 N -4.63 0.02 -0.08 0.00 3.41 -0.80 -3.65 113.62 107.88 3had n SER 96 Ca 0.20 0.50 -0.08 0.00 -0.26 0.00 0.00 58.87 59.23 3had n SER 96 Cb 0.43 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 3had n SER 96 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3had n VAL 97 N -1.52 1.10 1.89 -3.33 0.31 -0.29 -4.61 118.33 111.89 3had n VAL 97 Ca 0.05 -0.66 0.15 0.00 -0.01 0.00 0.00 64.34 63.87 3had n VAL 97 Cb 0.23 -0.62 0.91 0.00 -0.91 0.00 0.00 33.84 33.45 3had n VAL 97 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3had n VAL 98 N -2.62 0.00 -0.22 2.52 0.24 -0.97 -4.14 118.33 113.14 3had n VAL 98 Ca -0.27 0.00 0.20 0.00 -2.04 0.00 0.00 64.34 62.23 3had n VAL 98 Cb 1.01 -0.52 0.54 0.00 -1.47 0.00 0.00 33.84 33.40 3had n VAL 98 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 3had h HIS 99 N 0.00 0.46 0.00 6.34 6.17 -1.74 -3.08 115.15 123.30 3had h HIS 99 Ca 0.00 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 3had h HIS 99 Cb 0.02 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 29.78 3had h HIS 99 CO 0.00 0.13 -0.50 0.45 0.71 0.00 0.00 177.93 178.72 3had n SER 100 N -4.48 0.27 -4.82 3.26 2.88 -1.26 -2.90 113.62 106.57 3had n SER 100 Ca 0.18 -2.10 -0.33 0.00 -1.33 0.00 0.00 58.87 55.29 3had n SER 100 Cb 0.70 -0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 3had n SER 100 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3had s THR 101 N -0.25 4.16 -0.00 2.46 -1.32 -1.19 -4.98 115.64 114.53 3had s THR 101 Ca 0.05 1.19 0.11 0.00 -1.21 0.00 0.00 61.69 61.83 3had s THR 101 Cb 0.05 -3.55 -0.19 0.00 -1.51 0.00 0.00 72.50 67.30 3had s THR 101 CO -0.01 -0.45 0.95 0.44 -2.21 0.00 0.00 174.62 173.34 3had h ASP 102 N 1.24 0.00 -3.83 8.08 3.32 -1.44 -3.39 116.42 120.39 3had h ASP 102 Ca -0.48 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 3had h ASP 102 Cb 1.20 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.51 3had h ASP 102 CO 0.60 0.92 -0.24 -0.22 -1.72 0.00 0.00 179.24 178.58 3had s LEU 103 N -6.29 0.37 -0.18 1.55 2.96 -1.03 -1.97 118.68 114.08 3had s LEU 103 Ca -0.02 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 54.72 3had s LEU 103 Cb 0.09 1.42 0.00 0.00 0.50 0.00 0.00 46.19 48.20 3had s LEU 103 CO 0.82 -0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.89 3had s VAL 104 N 0.31 2.80 -0.18 1.68 1.01 -0.24 0.56 120.40 126.35 3had s VAL 104 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3had s VAL 104 Cb -0.03 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3had s VAL 104 CO -0.01 0.49 -0.09 -0.69 0.00 0.00 0.00 175.10 174.80 3had s VAL 105 N 1.13 3.13 -0.13 2.92 1.01 0.19 -0.68 120.40 127.97 3had s VAL 105 Ca 0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 3had s VAL 105 Cb -0.14 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3had s VAL 105 CO -0.04 0.48 0.03 -0.70 0.00 0.00 0.00 175.10 174.87 3had s GLU 106 N 0.98 3.48 -0.39 2.72 -6.30 0.39 -0.94 118.70 118.64 3had s GLU 106 Ca -0.01 -0.37 0.11 0.00 -2.50 0.00 0.00 54.97 52.20 3had s GLU 106 Cb -0.15 -3.00 0.35 0.00 0.00 0.00 0.00 34.13 31.33 3had s GLU 106 CO -0.01 0.50 0.88 0.00 0.02 0.00 0.00 175.26 176.65 3had n ALA 107 N 2.79 1.27 -3.17 6.30 0.00 0.66 -1.21 120.51 127.15 3had n ALA 107 Ca -0.18 -2.74 -0.07 0.00 0.00 0.00 0.00 53.44 50.45 3had n ALA 107 Cb 0.53 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.00 3had n ALA 107 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3had n ILE 108 N 0.25 0.00 -1.57 0.00 -5.35 -1.25 -4.47 119.36 106.97 3had n ILE 108 Ca 0.17 -0.59 -0.49 0.00 -0.27 0.00 0.00 62.75 61.58 3had n ILE 108 Cb 0.69 -0.72 -0.04 0.00 -1.74 0.00 0.00 39.64 37.83 3had n ILE 108 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 3had n VAL 109 N -1.24 0.99 -0.48 7.28 3.14 -1.26 -4.76 118.33 122.00 3had n VAL 109 Ca 0.03 -0.25 -0.09 0.00 -2.96 0.00 0.00 64.34 61.08 3had n VAL 109 Cb 0.18 -0.78 -0.06 0.00 -1.06 0.00 0.00 33.84 32.13 3had n VAL 109 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3had n GLU 110 N 1.63 1.11 -4.03 1.45 4.07 -1.26 -4.75 120.64 118.86 3had n GLU 110 Ca 0.15 -0.69 -0.34 0.00 -0.06 0.00 0.00 57.16 56.23 3had n GLU 110 Cb 0.24 -1.91 -0.15 0.00 -0.06 0.00 0.00 31.44 29.56 3had n GLU 110 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3had s ASN 111 N 2.92 3.91 0.19 4.31 3.84 -1.26 -5.02 114.94 123.83 3had s ASN 111 Ca 0.30 -0.81 -0.12 0.00 0.21 0.00 0.00 52.86 52.44 3had s ASN 111 Cb 0.12 -1.59 0.15 0.00 -0.55 0.00 0.00 41.25 39.38 3had s ASN 111 CO -0.01 -0.08 1.81 0.25 -2.79 0.00 0.00 177.10 176.29 3had h LEU 112 N 7.97 0.53 0.40 3.21 5.85 -1.99 -0.93 115.31 130.34 3had h LEU 112 Ca -0.37 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3had h LEU 112 Cb 1.12 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3had h LEU 112 CO 0.59 0.36 -0.43 0.50 -0.34 0.00 0.00 178.44 179.12 3had h LYS 113 N 0.65 -0.82 -0.49 1.25 3.64 -1.97 0.59 116.57 119.42 3had h LYS 113 Ca 0.24 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.77 3had h LYS 113 Cb 0.08 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 3had h LYS 113 CO -0.13 -0.55 0.05 0.28 -2.27 0.00 0.00 179.45 176.83 3had h VAL 114 N -0.85 0.67 0.21 2.00 2.07 -1.89 0.44 116.25 118.89 3had h VAL 114 Ca -0.04 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3had h VAL 114 Cb 0.76 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3had h VAL 114 CO -0.08 0.03 -0.23 0.11 0.02 0.00 0.00 177.57 177.43 3had h LYS 115 N 0.17 -0.46 -0.19 1.57 1.57 -0.85 -0.44 116.57 117.94 3had h LYS 115 Ca 0.25 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 3had h LYS 115 Cb 0.36 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 3had h LYS 115 CO -0.37 -0.30 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.18 3had h ASN 116 N -0.47 -0.39 -0.57 0.86 -0.26 -0.24 0.15 115.58 114.66 3had h ASN 116 Ca 0.00 0.09 0.09 0.00 -0.56 0.00 0.00 56.30 55.92 3had h ASN 116 Cb 0.45 0.21 -0.07 0.00 -1.06 0.00 0.00 38.32 37.84 3had h ASN 116 CO -0.06 -0.16 0.17 -0.08 -1.06 0.00 0.00 177.43 176.24 3had h GLU 117 N -0.11 0.32 0.51 0.81 4.81 -0.77 0.39 114.58 120.54 3had h GLU 117 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3had h GLU 117 Cb 0.28 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3had h GLU 117 CO -0.26 0.21 -0.48 1.25 -0.73 0.00 0.00 179.01 179.00 3had h LEU 118 N 0.33 -1.31 -0.94 1.64 5.85 0.32 -1.16 115.31 120.04 3had h LEU 118 Ca 0.29 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 59.05 3had h LEU 118 Cb 0.38 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3had h LEU 118 CO -0.32 -0.65 0.14 -0.26 -0.34 0.00 0.00 178.44 177.00 3had h PHE 119 N -0.99 0.94 -0.77 1.25 0.04 -0.31 -0.96 116.94 116.14 3had h PHE 119 Ca -0.06 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.65 3had h PHE 119 Cb 0.86 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 3had h PHE 119 CO -0.23 0.79 0.49 -0.22 -0.60 0.00 0.00 178.31 178.53 3had h LYS 120 N 0.87 0.92 0.00 1.51 3.64 -0.09 0.17 116.57 123.60 3had h LYS 120 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3had h LYS 120 Cb 0.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3had h LYS 120 CO -0.00 0.61 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.70 3had h ARG 121 N 0.94 -0.00 0.00 1.90 2.43 -0.90 -3.18 114.38 115.57 3had h ARG 121 Ca 0.31 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 3had h ARG 121 Cb 0.02 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3had h ARG 121 CO -0.11 0.37 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.52 3had h LEU 122 N -0.38 0.00 -1.78 3.80 3.38 -0.83 -2.51 115.31 116.99 3had h LEU 122 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3had h LEU 122 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3had h LEU 122 CO 0.00 0.12 0.23 -0.78 0.09 0.00 0.00 178.44 178.10 3had h ASP 123 N 0.00 0.24 1.39 -0.43 3.58 -0.64 0.23 116.42 120.79 3had h ASP 123 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3had h ASP 123 Cb 0.25 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3had h ASP 123 CO 0.02 0.16 0.00 0.11 -2.88 0.00 0.00 179.24 176.65 3had h LYS 124 N 0.28 0.00 0.00 0.28 1.57 -1.55 -3.34 116.57 113.80 3had h LYS 124 Ca 0.15 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.62 3had h LYS 124 Cb 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 3had h LYS 124 CO -0.03 0.00 -2.17 0.54 -0.57 0.00 0.00 179.45 177.22 3had n ARG 125 N -2.52 0.79 -1.80 3.15 5.12 -0.09 -5.02 116.66 116.29 3had n ARG 125 Ca 0.04 0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.65 3had n ARG 125 Cb 0.40 -1.42 0.03 0.00 -1.16 0.00 0.00 32.46 30.31 3had n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3had s ALA 126 N -2.41 2.99 1.20 7.54 0.00 -0.27 -3.97 121.76 126.84 3had s ALA 126 Ca -0.22 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 3had s ALA 126 Cb 0.06 -3.57 0.29 0.00 0.00 0.00 0.00 23.12 19.90 3had s ALA 126 CO 0.54 -1.28 0.89 0.00 0.00 0.00 0.00 175.76 175.92 3had n ALA 127 N -0.68 -3.29 0.01 0.00 0.00 -1.14 -4.90 120.51 110.51 3had n ALA 127 Ca 0.08 -1.27 -0.12 0.00 0.00 0.00 0.00 53.44 52.13 3had n ALA 127 Cb 0.44 -1.92 -0.07 0.00 0.00 0.00 0.00 19.45 17.90 3had n ALA 127 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3had h GLU 128 N -2.73 0.06 0.00 0.00 4.81 -1.94 -2.99 114.58 111.79 3had h GLU 128 Ca -0.63 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 3had h GLU 128 Cb 1.34 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3had h GLU 128 CO 0.48 0.14 0.00 1.12 -0.73 0.00 0.00 179.01 180.03 3had h HIS 129 N -0.04 0.00 -2.07 0.92 2.07 -1.93 -3.46 115.15 110.64 3had h HIS 129 Ca 0.01 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.92 3had h HIS 129 Cb 0.10 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.14 3had h HIS 129 CO -0.04 0.00 0.72 2.41 -3.07 0.00 0.00 177.93 177.95 3had n THR 130 N -2.52 0.04 -3.81 6.12 -1.04 -1.13 -4.97 114.28 106.97 3had n THR 130 Ca 0.02 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.65 3had n THR 130 Cb 0.26 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.36 3had n THR 130 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3had s ILE 131 N 1.05 5.43 -0.10 12.58 1.01 -0.83 -4.90 121.20 135.44 3had s ILE 131 Ca 0.82 0.30 -0.01 0.00 0.00 0.00 0.00 60.65 61.76 3had s ILE 131 Cb -0.77 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3had s ILE 131 CO 0.42 0.59 -0.05 -0.36 0.00 0.00 0.00 174.94 175.54 3had s PHE 132 N -0.89 3.00 -0.03 3.97 0.40 0.68 -1.07 117.98 124.03 3had s PHE 132 Ca 0.16 -0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.35 3had s PHE 132 Cb -0.13 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.60 3had s PHE 132 CO 0.05 0.20 0.11 0.00 0.70 0.00 0.00 175.22 176.28 3had s ALA 133 N -0.36 -0.28 0.04 5.36 0.00 0.15 -1.23 121.76 125.44 3had s ALA 133 Ca 0.06 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.22 3had s ALA 133 Cb -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3had s ALA 133 CO 0.02 -0.10 -0.07 0.45 0.00 0.00 0.00 175.76 176.06 3had s SER 134 N -0.39 4.61 0.00 0.00 0.15 -0.93 -0.46 113.70 116.68 3had s SER 134 Ca -0.05 -0.21 0.19 0.00 0.70 0.00 0.00 55.95 56.58 3had s SER 134 Cb -0.03 -1.03 0.38 0.00 -1.71 0.00 0.00 66.02 63.63 3had s SER 134 CO 0.00 0.24 1.31 -3.20 1.20 0.00 0.00 173.24 172.80 3had n ASN 135 N 1.24 3.21 -4.57 5.45 5.15 -0.35 -0.27 115.26 125.13 3had n ASN 135 Ca -0.14 -1.92 -0.41 0.00 -0.60 0.00 0.00 54.58 51.50 3had n ASN 135 Cb 0.52 -0.24 0.01 0.00 -0.53 0.00 0.00 39.78 39.54 3had n ASN 135 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3had n THR 136 N 1.19 2.35 -0.12 -0.44 5.66 -1.26 -4.68 114.28 116.98 3had n THR 136 Ca 0.17 -0.50 -0.24 0.00 -3.05 0.00 0.00 64.05 60.43 3had n THR 136 Cb 0.53 -1.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.22 3had n THR 136 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3had n SER 137 N 0.64 1.94 -2.90 1.09 7.64 -1.26 -4.70 113.62 116.07 3had n SER 137 Ca 0.10 0.35 -0.36 0.00 1.01 0.00 0.00 58.87 59.97 3had n SER 137 Cb 0.39 -0.82 0.02 0.00 -1.01 0.00 0.00 64.21 62.80 3had n SER 137 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3had n SER 138 N -4.32 6.70 -3.87 6.43 3.41 -1.26 -4.19 113.62 116.52 3had n SER 138 Ca -0.43 -3.79 -0.11 0.00 -0.26 0.00 0.00 58.87 54.28 3had n SER 138 Cb 0.78 -0.91 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 3had n SER 138 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3had s LEU 139 N -3.95 1.59 -0.48 1.04 1.43 -1.26 -5.03 118.68 112.01 3had s LEU 139 Ca 0.49 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.15 3had s LEU 139 Cb 0.39 0.61 0.02 0.00 0.03 0.00 0.00 46.19 47.25 3had s LEU 139 CO -0.32 -0.32 1.26 -1.10 0.23 0.00 0.00 176.35 176.10 3had s GLN 140 N -1.19 3.61 0.45 1.70 -0.21 -1.26 -4.87 119.66 117.89 3had s GLN 140 Ca -0.13 0.62 0.28 0.00 0.02 0.00 0.00 55.36 56.16 3had s GLN 140 Cb -0.07 -3.98 1.34 0.00 1.00 0.00 0.00 33.01 31.31 3had s GLN 140 CO 0.01 -1.54 1.72 0.82 -2.12 0.00 0.00 175.29 174.19 3had h ILE 141 N 6.31 0.34 -0.46 1.08 1.08 -1.98 0.74 117.51 124.63 3had h ILE 141 Ca -0.25 -0.06 -0.07 0.00 -0.39 0.00 0.00 64.86 64.08 3had h ILE 141 Cb 1.08 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 3had h ILE 141 CO 1.13 0.03 -0.00 0.74 -0.69 0.00 0.00 178.15 179.36 3had h THR 142 N 0.19 1.26 0.00 -0.27 2.02 -1.91 -0.79 112.91 113.41 3had h THR 142 Ca 0.68 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3had h THR 142 Cb 2.15 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3had h THR 142 CO -0.25 0.37 0.00 -1.20 0.37 0.00 0.00 175.52 174.81 3had n SER 143 N -4.37 0.00 0.00 4.18 7.64 0.26 -2.05 113.62 119.28 3had n SER 143 Ca 0.00 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.46 3had n SER 143 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3had n SER 143 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3had n ILE 144 N -0.63 0.00 -0.18 0.44 5.41 -0.86 -4.67 119.36 118.87 3had n ILE 144 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.76 3had n ILE 144 Cb 0.01 -0.41 0.22 0.00 -0.71 0.00 0.00 39.64 38.75 3had n ILE 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3had h ALA 145 N 0.00 1.37 0.00 -1.39 0.00 -0.77 -0.81 119.26 117.66 3had h ALA 145 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3had h ALA 145 Cb 0.73 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3had h ALA 145 CO 0.00 0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.85 3had n ASN 146 N -4.37 0.52 0.00 0.00 3.02 -0.87 -1.47 115.26 112.09 3had n ASN 146 Ca 0.06 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.37 3had n ASN 146 Cb 0.11 -0.75 0.64 0.00 -0.61 0.00 0.00 39.78 39.17 3had n ASN 146 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3had n ALA 147 N -1.72 2.28 -4.15 5.41 0.00 -0.31 -4.76 120.51 117.27 3had n ALA 147 Ca 0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 3had n ALA 147 Cb 0.19 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 3had n ALA 147 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3had n THR 148 N -1.09 0.00 -1.11 0.00 -2.24 -0.54 -4.08 114.28 105.22 3had n THR 148 Ca 0.15 -1.85 0.09 0.00 -2.27 0.00 0.00 64.05 60.17 3had n THR 148 Cb 0.11 0.75 0.16 0.00 -2.10 0.00 0.00 70.33 69.25 3had n THR 148 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3had n THR 149 N -0.64 1.97 -0.85 4.28 -2.24 -1.26 -4.54 114.28 111.01 3had n THR 149 Ca -0.01 -2.31 0.08 0.00 -2.27 0.00 0.00 64.05 59.54 3had n THR 149 Cb 0.47 -0.24 0.26 0.00 -2.10 0.00 0.00 70.33 68.72 3had n THR 149 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3had n ARG 150 N -1.30 3.12 -0.59 -0.78 0.63 -1.26 -4.78 116.66 111.69 3had n ARG 150 Ca 0.17 -2.76 0.48 0.00 -0.92 0.00 0.00 57.85 54.82 3had n ARG 150 Cb 0.68 -1.80 0.79 0.00 0.45 0.00 0.00 32.46 32.58 3had n ARG 150 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3had h GLN 151 N 2.11 0.01 0.00 -0.14 7.50 -1.80 0.92 115.11 123.71 3had h GLN 151 Ca 0.00 -0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 3had h GLN 151 Cb 1.38 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.90 3had h GLN 151 CO 0.21 0.01 -0.27 0.38 -1.50 0.00 0.00 178.83 177.66 3had h ASP 152 N 0.01 0.00 -0.43 1.46 2.03 -1.87 -3.02 116.42 114.61 3had h ASP 152 Ca 0.84 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.99 3had h ASP 152 Cb 3.31 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 41.72 3had h ASP 152 CO -0.06 0.27 0.06 0.54 -1.03 0.00 0.00 179.24 179.02 3had n ARG 153 N -3.37 2.51 -5.12 4.15 3.00 0.32 -0.99 116.66 117.16 3had n ARG 153 Ca 0.00 -3.04 -0.32 0.00 -0.01 0.00 0.00 57.85 54.49 3had n ARG 153 Cb 0.48 -1.91 -0.16 0.00 0.00 0.00 0.00 32.46 30.87 3had n ARG 153 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 3had s PHE 154 N -3.07 2.57 0.35 -1.55 2.19 -1.07 -0.23 117.98 117.16 3had s PHE 154 Ca 0.46 -0.72 -0.06 0.00 0.33 0.00 0.00 56.93 56.95 3had s PHE 154 Cb 0.40 -1.67 0.01 0.00 -1.31 0.00 0.00 43.02 40.45 3had s PHE 154 CO 0.06 -0.21 0.55 0.00 1.83 0.00 0.00 175.22 177.44 3had s ALA 155 N -0.02 0.38 -0.00 11.12 0.00 -0.37 -4.58 121.76 128.29 3had s ALA 155 Ca -0.07 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3had s ALA 155 Cb -0.15 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3had s ALA 155 CO 0.05 -0.84 -0.01 0.20 0.00 0.00 0.00 175.76 175.16 3had s GLY 156 N -3.19 1.85 -0.34 0.00 0.00 0.16 -2.18 107.32 103.61 3had s GLY 156 Ca 0.27 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 3had s GLY 156 CO 0.18 -0.82 0.20 -2.27 0.00 0.00 0.00 173.10 170.39 3had s LEU 157 N -1.50 0.79 -0.36 0.66 2.96 0.63 -0.25 118.68 121.60 3had s LEU 157 Ca 0.19 -1.92 -0.16 0.00 -0.22 0.00 0.00 54.13 52.01 3had s LEU 157 Cb -0.11 -0.31 -0.00 0.00 0.50 0.00 0.00 46.19 46.26 3had s LEU 157 CO 0.09 -0.34 0.40 -2.28 -1.32 0.00 0.00 176.35 172.91 3had s HIS 158 N 1.35 3.20 0.43 5.38 5.65 -0.33 -3.92 115.29 127.04 3had s HIS 158 Ca 0.16 -0.05 0.06 0.00 0.25 0.00 0.00 55.06 55.47 3had s HIS 158 Cb -0.21 -2.75 0.01 0.00 -1.18 0.00 0.00 32.58 28.45 3had s HIS 158 CO -0.08 -0.50 0.60 -0.06 -0.65 0.00 0.00 174.74 174.05 3had s PHE 159 N 2.10 2.92 -0.02 3.88 0.40 -1.26 -1.72 117.98 124.28 3had s PHE 159 Ca 0.13 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 3had s PHE 159 Cb -0.16 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 3had s PHE 159 CO 0.12 -0.42 -0.21 -0.06 0.70 0.00 0.00 175.22 175.36 3had s PHE 160 N -2.41 1.85 0.11 0.36 0.40 -1.26 -5.02 117.98 112.01 3had s PHE 160 Ca 0.53 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 56.20 3had s PHE 160 Cb -0.10 -1.19 -0.06 0.00 0.51 0.00 0.00 43.02 42.18 3had s PHE 160 CO 0.34 -0.04 1.08 1.21 0.70 0.00 0.00 175.22 178.52 3had s ASN 161 N -0.47 7.27 -0.07 1.36 2.47 -1.26 -1.98 114.94 122.26 3had s ASN 161 Ca 0.08 1.96 -0.30 0.00 0.42 0.00 0.00 52.86 55.02 3had s ASN 161 Cb -0.08 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 37.11 3had s ASN 161 CO -0.01 -0.26 1.01 -2.84 -3.72 0.00 0.00 177.10 171.28 3had s PRO 162 N 0.24 4.46 0.24 0.43 0.02 -1.26 -4.84 135.00 134.30 3had s PRO 162 Ca 0.52 1.42 -0.04 0.00 0.02 0.00 0.00 61.00 62.91 3had s PRO 162 Cb -0.27 -3.52 0.46 0.00 0.02 0.00 0.00 34.50 31.19 3had s PRO 162 CO 0.32 -0.24 1.72 0.28 -0.33 0.00 0.00 177.00 178.74 3had h VAL 163 N 5.00 0.61 0.00 3.83 2.07 -1.72 0.16 116.25 126.20 3had h VAL 163 Ca -0.34 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3had h VAL 163 Cb 1.17 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3had h VAL 163 CO 0.82 0.07 0.00 -0.81 0.02 0.00 0.00 177.57 177.67 3had n PRO 164 N -5.05 0.10 -0.11 1.57 -0.04 -1.26 -3.77 135.00 126.44 3had n PRO 164 Ca 0.14 0.39 -0.19 0.00 -0.04 0.00 0.00 63.50 63.80 3had n PRO 164 Cb 0.43 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 3had n PRO 164 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3had n VAL 165 N -1.89 1.50 -1.73 0.52 0.31 0.33 -4.92 118.33 112.46 3had n VAL 165 Ca 0.02 -0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 3had n VAL 165 Cb 0.16 -2.12 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 3had n VAL 165 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3had s MET 166 N -2.71 3.71 0.00 5.55 -1.94 0.06 -4.88 119.30 119.09 3had s MET 166 Ca -0.33 2.23 0.28 0.00 -1.71 0.00 0.00 55.69 56.16 3had s MET 166 Cb 0.09 -4.22 1.06 0.00 2.01 0.00 0.00 34.83 33.78 3had s MET 166 CO 0.45 -1.43 1.81 1.63 -0.01 0.00 0.00 175.02 177.46 3had n LYS 167 N 8.00 0.00 -2.95 2.03 4.76 -1.26 -4.79 118.16 123.96 3had n LYS 167 Ca 0.23 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.30 3had n LYS 167 Cb 0.43 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 3had n LYS 167 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3had s LEU 168 N -3.00 4.43 -0.06 -0.35 2.96 -1.26 0.10 118.68 121.49 3had s LEU 168 Ca 0.13 1.64 -0.02 0.00 -0.22 0.00 0.00 54.13 55.66 3had s LEU 168 Cb 0.19 -3.65 0.04 0.00 0.50 0.00 0.00 46.19 43.26 3had s LEU 168 CO 0.57 0.05 0.12 0.54 -1.32 0.00 0.00 176.35 176.32 3had s VAL 169 N -1.44 -0.13 -0.38 1.68 0.11 -0.72 -4.27 120.40 115.26 3had s VAL 169 Ca 0.43 0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 59.56 3had s VAL 169 Cb -0.20 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3had s VAL 169 CO 0.24 0.11 0.58 -1.61 -3.33 0.00 0.00 175.10 171.09 3had s GLU 170 N 1.65 3.54 -0.57 1.54 2.02 -0.70 -1.03 118.70 125.14 3had s GLU 170 Ca -0.03 -0.16 -0.21 0.00 0.02 0.00 0.00 54.97 54.59 3had s GLU 170 Cb -0.12 -3.85 0.07 0.00 0.10 0.00 0.00 34.13 30.33 3had s GLU 170 CO -0.05 -0.77 0.78 0.08 0.02 0.00 0.00 175.26 175.31 3had s VAL 171 N 2.59 4.66 -0.37 2.63 1.01 0.15 -1.19 120.40 129.87 3had s VAL 171 Ca 0.21 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 3had s VAL 171 Cb -0.15 -4.48 0.01 0.00 0.00 0.00 0.00 36.38 31.76 3had s VAL 171 CO 0.15 -1.10 0.65 -0.63 0.00 0.00 0.00 175.10 174.17 3had s ILE 172 N 3.18 4.86 -0.15 2.22 -1.09 0.65 -3.29 121.20 127.59 3had s ILE 172 Ca 0.18 0.55 -0.06 0.00 -2.23 0.00 0.00 60.65 59.08 3had s ILE 172 Cb -0.19 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 3had s ILE 172 CO 0.11 -0.37 0.07 -0.75 -1.23 0.00 0.00 174.94 172.78 3had s LYS 173 N 2.77 3.67 0.41 2.79 2.20 -1.16 0.36 119.74 130.77 3had s LYS 173 Ca 0.25 -0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.64 3had s LYS 173 Cb -0.14 -3.14 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 3had s LYS 173 CO 0.16 0.48 0.55 0.95 -0.36 0.00 0.00 175.35 177.13 3had s THR 174 N -0.22 3.11 0.46 3.43 -4.23 -1.26 -3.44 115.64 113.49 3had s THR 174 Ca 0.08 -1.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.76 3had s THR 174 Cb -0.12 -3.05 0.36 0.00 1.34 0.00 0.00 72.50 71.04 3had s THR 174 CO 0.01 -0.02 1.96 1.55 -0.54 0.00 0.00 174.62 177.58 3had h PRO 175 N 0.68 0.27 0.00 3.99 0.13 -1.98 -0.31 132.00 134.78 3had h PRO 175 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3had h PRO 175 Cb 1.28 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3had h PRO 175 CO 0.46 0.18 -0.36 0.52 -0.23 0.00 0.00 178.00 178.57 3had h MET 176 N 0.28 0.00 -6.56 0.86 2.86 -1.94 -3.47 114.93 106.97 3had h MET 176 Ca 0.31 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.42 3had h MET 176 Cb 0.83 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.52 3had h MET 176 CO -0.07 0.00 0.88 0.99 1.06 0.00 0.00 176.91 179.77 3had s THR 177 N -3.15 2.86 0.64 2.22 2.01 -0.13 -3.80 115.64 116.29 3had s THR 177 Ca 0.08 0.55 -0.17 0.00 0.31 0.00 0.00 61.69 62.46 3had s THR 177 Cb 0.12 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 3had s THR 177 CO 0.67 0.03 1.21 -0.55 -0.69 0.00 0.00 174.62 175.30 3had s SER 178 N 1.43 4.86 0.09 3.53 0.15 -0.16 -4.81 113.70 118.80 3had s SER 178 Ca 0.70 2.38 -0.14 0.00 0.70 0.00 0.00 55.95 59.59 3had s SER 178 Cb -0.41 -2.60 -0.14 0.00 -1.71 0.00 0.00 66.02 61.16 3had s SER 178 CO 0.31 -1.82 1.32 -0.61 1.20 0.00 0.00 173.24 173.65 3had h GLN 179 N 0.48 0.75 -0.71 5.44 5.75 -1.93 -1.66 115.11 123.23 3had h GLN 179 Ca -0.50 -0.56 0.08 0.00 -0.15 0.00 0.00 58.65 57.53 3had h GLN 179 Cb 1.30 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.88 3had h GLN 179 CO 0.53 1.18 0.37 -0.22 -2.65 0.00 0.00 178.83 178.04 3had h LYS 180 N 0.47 0.62 -0.45 1.69 3.64 -1.93 0.13 116.57 120.75 3had h LYS 180 Ca -0.02 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 3had h LYS 180 Cb 1.24 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 3had h LYS 180 CO 0.13 0.41 -0.07 1.15 -2.27 0.00 0.00 179.45 178.80 3had h THR 181 N 0.64 1.25 0.33 1.00 2.02 -1.80 -2.24 112.91 114.11 3had h THR 181 Ca 0.34 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3had h THR 181 Cb 0.32 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3had h THR 181 CO -0.25 0.38 -0.16 0.15 0.37 0.00 0.00 175.52 176.02 3had h PHE 182 N 0.71 -0.41 0.00 3.16 3.57 -0.08 -2.06 116.94 121.83 3had h PHE 182 Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3had h PHE 182 Cb 0.54 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 3had h PHE 182 CO 0.03 -0.13 -0.02 0.93 -2.23 0.00 0.00 178.31 176.88 3had h GLU 183 N -0.64 0.00 0.07 1.11 5.08 -0.82 -0.66 114.58 118.72 3had h GLU 183 Ca -0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 3had h GLU 183 Cb 0.46 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.74 3had h GLU 183 CO 0.07 0.02 -1.17 1.03 -1.00 0.00 0.00 179.01 177.97 3had h SER 184 N 0.00 0.90 0.18 1.42 0.87 -1.15 -1.84 113.55 113.93 3had h SER 184 Ca -0.00 -0.79 -0.13 0.00 -1.23 0.00 0.00 61.79 59.64 3had h SER 184 Cb 0.25 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3had h SER 184 CO 0.00 1.59 -0.48 -0.07 -0.53 0.00 0.00 176.83 177.34 3had h LEU 185 N 0.32 0.38 -0.33 2.23 3.38 -0.64 -0.97 115.31 119.68 3had h LEU 185 Ca -0.17 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 3had h LEU 185 Cb 1.83 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 3had h LEU 185 CO 0.23 0.81 -0.07 0.58 0.09 0.00 0.00 178.44 180.07 3had h VAL 186 N 0.28 1.28 -0.81 1.22 2.07 -1.16 -0.20 116.25 118.93 3had h VAL 186 Ca 0.02 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 3had h VAL 186 Cb 0.95 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3had h VAL 186 CO 0.08 0.36 0.37 0.44 0.02 0.00 0.00 177.57 178.84 3had h ASP 187 N 0.42 1.07 -0.37 0.57 3.32 -1.16 -1.86 116.42 118.40 3had h ASP 187 Ca 0.09 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 3had h ASP 187 Cb 0.56 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3had h ASP 187 CO 0.03 0.92 0.02 0.15 -1.72 0.00 0.00 179.24 178.63 3had h PHE 188 N 1.16 0.69 -0.51 4.55 3.57 -1.00 -0.89 116.94 124.51 3had h PHE 188 Ca 0.28 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3had h PHE 188 Cb 0.14 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3had h PHE 188 CO 0.02 0.72 0.23 0.77 -2.23 0.00 0.00 178.31 177.82 3had h SER 189 N 0.46 0.31 -0.30 0.41 0.02 -0.74 0.68 113.55 114.39 3had h SER 189 Ca 0.11 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 3had h SER 189 Cb 0.43 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3had h SER 189 CO 0.02 0.21 -0.08 0.11 -1.14 0.00 0.00 176.83 175.95 3had h LYS 190 N 0.45 0.70 -0.23 3.45 1.57 -1.19 -0.65 116.57 120.67 3had h LYS 190 Ca 0.23 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3had h LYS 190 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3had h LYS 190 CO -0.19 0.76 0.01 0.00 -0.57 0.00 0.00 179.45 179.46 3had h ALA 191 N 1.28 1.59 0.00 3.86 0.00 0.19 0.20 119.26 126.37 3had h ALA 191 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3had h ALA 191 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3had h ALA 191 CO 0.03 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.86 3had n LEU 192 N -4.36 0.00 -0.05 0.00 4.77 0.10 -4.84 117.00 112.62 3had n LEU 192 Ca 0.00 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.10 3had n LEU 192 Cb 0.19 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3had n LEU 192 CO 0.37 -0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 177.00 3had n GLY 193 N 0.58 0.47 4.01 -0.72 0.00 0.68 -4.96 105.19 105.27 3had n GLY 193 Ca 0.15 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 3had n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3had s LYS 194 N -1.19 2.15 -0.30 1.61 -0.14 -0.31 -4.95 119.74 116.60 3had s LYS 194 Ca 0.00 -1.35 0.02 0.00 -1.36 0.00 0.00 55.97 53.27 3had s LYS 194 Cb 0.00 -2.53 0.09 0.00 -1.68 0.00 0.00 37.83 33.71 3had s LYS 194 CO 0.00 -1.00 0.04 -1.58 -0.76 0.00 0.00 175.35 172.04 3had s HIS 195 N -2.81 2.79 0.21 3.18 5.65 0.28 -4.08 115.29 120.51 3had s HIS 195 Ca 0.62 -2.30 -0.30 0.00 0.25 0.00 0.00 55.06 53.33 3had s HIS 195 Cb -0.06 -2.21 -0.08 0.00 -1.18 0.00 0.00 32.58 29.04 3had s HIS 195 CO 0.40 -0.89 0.97 -1.25 -0.65 0.00 0.00 174.74 173.32 3had s PRO 196 N 1.25 4.78 0.20 2.88 0.04 -1.26 -1.75 135.00 141.14 3had s PRO 196 Ca 0.06 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.70 3had s PRO 196 Cb -0.18 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 3had s PRO 196 CO -0.13 0.39 -0.16 0.14 0.04 0.00 0.00 177.00 177.28 3had s VAL 197 N -0.82 1.80 -0.01 -0.36 -7.23 -0.20 -4.94 120.40 108.64 3had s VAL 197 Ca 0.43 -2.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3had s VAL 197 Cb -0.26 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 3had s VAL 197 CO 0.32 -0.52 -0.08 -0.55 -0.31 0.00 0.00 175.10 173.96 3had s SER 198 N -3.17 4.53 0.08 4.85 0.15 -1.26 -0.67 113.70 118.21 3had s SER 198 Ca 0.21 -0.14 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 3had s SER 198 Cb -0.02 -1.05 0.03 0.00 -1.71 0.00 0.00 66.02 63.27 3had s SER 198 CO 0.07 0.30 0.37 0.00 1.20 0.00 0.00 173.24 175.18 3had s LYS 200 N -3.21 3.00 0.00 0.00 1.02 -1.26 -3.01 119.74 116.29 3had s LYS 200 Ca -0.01 0.10 -0.02 0.00 0.02 0.00 0.00 55.97 56.06 3had s LYS 200 Cb 0.01 -2.25 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 3had s LYS 200 CO -0.08 -0.68 1.57 -3.47 -0.92 0.00 0.00 175.35 171.77 3had n ASP 201 N -2.60 1.94 -4.88 2.83 2.03 -1.22 -4.74 116.55 109.91 3had n ASP 201 Ca 0.04 -1.83 -0.35 0.00 0.52 0.00 0.00 54.79 53.18 3had n ASP 201 Cb 0.57 -0.52 -0.05 0.00 -0.72 0.00 0.00 41.12 40.40 3had n ASP 201 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3had s THR 202 N 2.16 5.27 0.12 5.18 -4.23 -1.26 -4.76 115.64 118.12 3had s THR 202 Ca 0.22 0.25 -0.35 0.00 -1.18 0.00 0.00 61.69 60.63 3had s THR 202 Cb 0.11 -3.58 -0.16 0.00 1.34 0.00 0.00 72.50 70.21 3had s THR 202 CO 0.00 0.38 1.31 -0.81 -0.54 0.00 0.00 174.62 174.96 3had n PRO 203 N 1.19 1.23 -0.47 3.99 -0.04 -1.26 -1.27 135.00 138.37 3had n PRO 203 Ca -0.11 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3had n PRO 203 Cb 0.53 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 3had n PRO 203 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3had n GLY 204 N 2.44 1.75 7.00 0.55 0.00 -1.26 -4.65 105.19 111.02 3had n GLY 204 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3had n GLY 204 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3had n PHE 205 N -2.00 0.00 -0.00 1.61 3.72 -0.39 -1.56 117.46 118.84 3had n PHE 205 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3had n PHE 205 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3had n PHE 205 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3had n ILE 206 N 0.00 0.03 0.02 4.37 5.41 -1.26 -4.29 119.36 123.65 3had n ILE 206 Ca 0.00 0.49 -0.13 0.00 1.00 0.00 0.00 62.75 64.11 3had n ILE 206 Cb 0.00 -1.52 -0.08 0.00 -0.71 0.00 0.00 39.64 37.33 3had n ILE 206 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3had h VAL 207 N -0.02 0.00 0.00 1.39 2.07 -2.00 -1.35 116.25 116.35 3had h VAL 207 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3had h VAL 207 Cb 0.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3had h VAL 207 CO 0.00 0.00 -0.35 0.78 0.02 0.00 0.00 177.57 178.02 3had h ASN 208 N -0.54 0.00 -0.71 0.57 2.35 -1.85 0.15 115.58 115.56 3had h ASN 208 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3had h ASN 208 Cb 0.59 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 3had h ASN 208 CO -0.33 0.35 0.31 -0.09 -1.65 0.00 0.00 177.43 176.02 3had h ARG 209 N 0.00 1.06 0.00 0.81 9.65 -0.83 -0.48 114.38 124.60 3had h ARG 209 Ca -0.00 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3had h ARG 209 Cb 0.67 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3had h ARG 209 CO 0.04 0.85 -0.96 1.28 2.80 0.00 0.00 179.97 183.98 3had n LEU 210 N -4.30 0.73 -0.12 3.80 4.77 -0.55 -4.41 117.00 116.92 3had n LEU 210 Ca 0.07 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 56.01 3had n LEU 210 Cb 0.17 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 3had n LEU 210 CO 0.40 -0.10 -1.04 -0.11 -1.33 0.00 0.00 177.39 175.20 3had n LEU 211 N -2.39 1.97 0.09 2.23 7.94 0.48 -4.28 117.00 123.05 3had n LEU 211 Ca 0.01 0.35 -0.12 0.00 -1.11 0.00 0.00 56.01 55.14 3had n LEU 211 Cb 0.50 -0.89 -0.06 0.00 0.53 0.00 0.00 43.42 43.50 3had n LEU 211 CO 0.39 0.47 0.77 0.58 -1.11 0.00 0.00 177.39 178.49 3had h VAL 212 N -0.93 0.66 -0.82 1.96 2.07 -1.31 -1.34 116.25 116.53 3had h VAL 212 Ca -0.55 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.08 3had h VAL 212 Cb 1.51 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3had h VAL 212 CO -0.31 0.00 0.54 1.55 0.02 0.00 0.00 177.57 179.36 3had h PRO 213 N -0.29 0.70 -0.56 1.57 0.13 -1.77 -0.15 132.00 131.63 3had h PRO 213 Ca 0.02 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 3had h PRO 213 Cb 0.31 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 3had h PRO 213 CO -0.09 0.46 0.23 -0.92 -0.23 0.00 0.00 178.00 177.46 3had h TYR 214 N 0.72 0.84 -0.76 1.56 3.20 -1.58 -0.22 116.97 120.73 3had h TYR 214 Ca 0.39 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 3had h TYR 214 Cb 0.52 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3had h TYR 214 CO -0.00 0.67 0.32 -0.07 -1.64 0.00 0.00 178.16 177.44 3had h LEU 215 N 0.76 1.02 -0.71 2.82 3.38 -0.02 -1.00 115.31 121.57 3had h LEU 215 Ca 0.19 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3had h LEU 215 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3had h LEU 215 CO -0.02 0.89 -0.17 0.24 0.09 0.00 0.00 178.44 179.47 3had h MET 216 N 1.09 0.82 -0.86 1.13 2.86 -0.78 -2.17 114.93 117.02 3had h MET 216 Ca 0.26 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3had h MET 216 Cb 0.17 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3had h MET 216 CO -0.03 0.93 0.46 0.93 1.06 0.00 0.00 176.91 180.27 3had h GLU 217 N 0.73 1.20 -0.41 1.72 4.39 -0.36 -0.18 114.58 121.66 3had h GLU 217 Ca 0.11 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3had h GLU 217 Cb 0.68 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3had h GLU 217 CO 0.05 0.88 0.24 0.00 -1.16 0.00 0.00 179.01 179.02 3had h ALA 218 N 1.31 0.53 -0.43 3.43 0.00 -0.81 -0.69 119.26 122.59 3had h ALA 218 Ca 0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3had h ALA 218 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3had h ALA 218 CO -0.05 0.03 0.25 0.82 0.00 0.00 0.00 179.25 180.30 3had h ILE 219 N 0.54 1.03 -0.87 0.00 2.04 -0.85 -2.15 117.51 117.26 3had h ILE 219 Ca 0.15 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3had h ILE 219 Cb 0.02 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3had h ILE 219 CO -0.03 0.09 0.57 0.03 0.00 0.00 0.00 178.15 178.82 3had h ARG 220 N 0.50 1.14 -0.68 2.37 3.08 -0.50 0.27 114.38 120.56 3had h ARG 220 Ca 0.17 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3had h ARG 220 Cb 0.02 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3had h ARG 220 CO -0.09 0.76 0.45 1.25 -1.07 0.00 0.00 179.97 181.27 3had h LEU 221 N 1.18 0.79 0.11 3.04 5.85 -0.75 -0.28 115.31 125.25 3had h LEU 221 Ca 0.32 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3had h LEU 221 Cb -0.13 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.71 3had h LEU 221 CO -0.07 0.57 -0.06 0.22 -0.34 0.00 0.00 178.44 178.77 3had h TYR 222 N 0.93 -0.14 0.00 1.25 3.20 -0.66 -2.56 116.97 118.98 3had h TYR 222 Ca 0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3had h TYR 222 Cb -0.10 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3had h TYR 222 CO -0.02 0.07 0.00 0.39 -1.64 0.00 0.00 178.16 176.96 3had n GLU 223 N -5.07 0.16 0.15 1.82 1.02 0.84 -0.76 120.64 118.81 3had n GLU 223 Ca -0.08 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 3had n GLU 223 Cb 0.16 -1.94 0.11 0.00 -0.02 0.00 0.00 31.44 29.75 3had n GLU 223 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3had h ARG 224 N 0.00 0.00 0.00 3.49 2.43 -0.74 -3.47 114.38 116.09 3had h ARG 224 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3had h ARG 224 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3had h ARG 224 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 3had n GLY 225 N 1.17 0.76 0.16 2.80 0.00 0.06 -4.98 105.19 105.15 3had n GLY 225 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.93 3had n GLY 225 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3had h ASP 226 N 0.00 0.00 -5.03 1.61 3.32 -1.65 -3.47 116.42 111.20 3had h ASP 226 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 3had h ASP 226 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 3had h ASP 226 CO 0.00 0.50 0.36 0.00 -1.72 0.00 0.00 179.24 178.38 3had s ALA 227 N -3.46 -1.56 0.46 3.45 0.00 -1.26 -5.06 121.76 114.33 3had s ALA 227 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 3had s ALA 227 Cb 0.11 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 3had s ALA 227 CO 0.72 -0.91 0.81 -1.54 0.00 0.00 0.00 175.76 174.84 3had s SER 228 N -2.80 6.40 0.26 0.00 1.04 -1.26 -4.54 113.70 112.80 3had s SER 228 Ca 0.08 1.09 -0.03 0.00 0.48 0.00 0.00 55.95 57.57 3had s SER 228 Cb -0.02 -2.31 0.39 0.00 0.10 0.00 0.00 66.02 64.17 3had s SER 228 CO -0.02 -0.52 1.86 0.11 0.98 0.00 0.00 173.24 175.66 3had h LYS 229 N 0.71 1.04 -0.06 4.02 1.57 -1.98 -0.51 116.57 121.37 3had h LYS 229 Ca -0.47 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3had h LYS 229 Cb 1.19 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3had h LYS 229 CO 0.63 0.69 0.04 0.93 -0.57 0.00 0.00 179.45 181.16 3had h GLU 230 N 1.07 0.08 -0.58 3.15 3.07 -1.99 -0.06 114.58 119.33 3had h GLU 230 Ca 0.41 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.21 3had h GLU 230 Cb 0.20 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3had h GLU 230 CO -0.18 0.11 0.14 -0.44 -1.40 0.00 0.00 179.01 177.24 3had h ASP 231 N 0.04 0.89 -0.59 1.42 3.32 -1.87 0.84 116.42 120.47 3had h ASP 231 Ca 0.02 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.86 3had h ASP 231 Cb 0.05 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3had h ASP 231 CO -0.00 0.89 0.36 0.40 -1.72 0.00 0.00 179.24 179.17 3had h ILE 232 N 0.84 1.08 -0.28 0.35 2.04 -0.84 1.20 117.51 121.90 3had h ILE 232 Ca 0.18 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3had h ILE 232 Cb 0.35 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3had h ILE 232 CO 0.00 0.13 0.14 0.44 0.00 0.00 0.00 178.15 178.87 3had h ASP 233 N 0.72 0.36 -0.74 1.72 3.32 -0.72 -1.21 116.42 119.87 3had h ASP 233 Ca 0.23 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3had h ASP 233 Cb 0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3had h ASP 233 CO -0.09 0.36 0.35 0.74 -1.72 0.00 0.00 179.24 178.87 3had h THR 234 N 0.33 1.24 0.02 0.35 2.02 -0.01 -1.95 112.91 114.90 3had h THR 234 Ca 0.10 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3had h THR 234 Cb 0.09 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3had h THR 234 CO -0.01 0.29 -0.17 0.00 0.37 0.00 0.00 175.52 176.00 3had h ALA 235 N 1.17 -0.22 -0.13 6.16 0.00 0.19 -0.93 119.26 125.51 3had h ALA 235 Ca 0.25 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3had h ALA 235 Cb 0.14 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3had h ALA 235 CO -0.03 -0.67 -0.35 0.52 0.00 0.00 0.00 179.25 178.72 3had h MET 236 N -0.29 0.26 0.23 0.00 2.86 -1.12 0.57 114.93 117.44 3had h MET 236 Ca 0.05 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3had h MET 236 Cb 0.35 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3had h MET 236 CO -0.15 0.58 -0.11 0.87 1.06 0.00 0.00 176.91 179.16 3had h LYS 237 N 0.22 -0.30 0.07 1.72 1.57 -0.97 -1.16 116.57 117.73 3had h LYS 237 Ca 0.03 0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.58 3had h LYS 237 Cb 0.72 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3had h LYS 237 CO 0.05 0.06 -1.16 -0.07 -0.57 0.00 0.00 179.45 177.77 3had h LEU 238 N -0.76 0.24 0.02 2.94 3.38 -1.21 0.54 115.31 120.45 3had h LEU 238 Ca -0.03 -0.26 -0.27 0.00 0.09 0.00 0.00 57.88 57.41 3had h LEU 238 Cb 0.50 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3had h LEU 238 CO 0.05 1.20 -1.45 1.23 0.09 0.00 0.00 178.44 179.56 3had h GLY 239 N 2.23 0.04 -0.34 0.83 0.00 0.02 -3.38 103.07 102.47 3had h GLY 239 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3had h GLY 239 CO 0.17 0.10 -0.12 0.00 0.00 0.00 0.00 176.54 176.69 3had n ALA 240 N -2.51 2.62 -2.00 3.60 0.00 -0.48 -5.01 120.51 116.72 3had n ALA 240 Ca -0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.78 3had n ALA 240 Cb 1.01 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 20.21 3had n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3had n GLY 241 N 0.69 0.29 3.80 0.00 0.00 0.17 -4.96 105.19 105.18 3had n GLY 241 Ca 0.03 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3had n GLY 241 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3had s TYR 242 N -2.63 3.57 0.18 1.61 2.02 -1.05 -4.97 117.35 116.09 3had s TYR 242 Ca 0.00 1.69 -0.12 0.00 -0.37 0.00 0.00 57.07 58.27 3had s TYR 242 Cb 0.00 -2.87 0.09 0.00 -0.40 0.00 0.00 41.96 38.79 3had s TYR 242 CO 0.00 0.13 1.78 -1.35 -1.57 0.00 0.00 175.55 174.54 3had h PRO 243 N 2.80 0.88 -5.86 -1.71 0.11 -1.91 -3.40 132.00 122.91 3had h PRO 243 Ca -0.48 -0.11 -0.51 0.00 0.11 0.00 0.00 66.00 65.01 3had h PRO 243 Cb 1.19 -0.17 -0.23 0.00 0.11 0.00 0.00 31.00 31.91 3had h PRO 243 CO 0.64 0.68 -0.81 -1.64 -0.21 0.00 0.00 178.00 176.66 3had s MET 244 N -5.79 1.07 0.73 1.05 -1.94 -1.26 -5.02 119.30 108.15 3had s MET 244 Ca -0.13 -1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 52.71 3had s MET 244 Cb 0.13 -1.22 0.03 0.00 2.01 0.00 0.00 34.83 35.78 3had s MET 244 CO 0.78 0.29 1.07 0.20 -0.01 0.00 0.00 175.02 177.35 3had s GLY 245 N -1.67 1.67 0.25 -0.03 0.00 -1.26 -4.79 107.32 101.49 3had s GLY 245 Ca 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.87 3had s GLY 245 CO 0.03 0.47 1.79 -0.56 0.00 0.00 0.00 173.10 174.83 3had h PRO 246 N -0.91 0.69 -0.19 2.90 0.13 -1.86 -0.72 132.00 132.05 3had h PRO 246 Ca -0.44 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 3had h PRO 246 Cb 1.22 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3had h PRO 246 CO 0.55 0.46 -0.54 0.74 -0.23 0.00 0.00 178.00 178.98 3had h PHE 247 N 0.71 0.68 -0.51 1.56 -1.00 -1.92 0.45 116.94 116.91 3had h PHE 247 Ca 0.42 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 3had h PHE 247 Cb 0.49 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3had h PHE 247 CO -0.08 0.96 0.15 1.49 -1.61 0.00 0.00 178.31 179.22 3had h GLU 248 N 0.42 0.80 -0.46 1.51 4.81 -1.81 -2.29 114.58 117.56 3had h GLU 248 Ca 0.01 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3had h GLU 248 Cb 1.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 3had h GLU 248 CO 0.10 0.75 -0.04 1.25 -0.73 0.00 0.00 179.01 180.35 3had h LEU 249 N 0.70 0.83 -0.73 1.64 5.85 -0.97 -1.76 115.31 120.87 3had h LEU 249 Ca 0.16 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3had h LEU 249 Cb 0.29 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3had h LEU 249 CO -0.00 0.96 0.38 -0.07 -0.34 0.00 0.00 178.44 179.36 3had h LEU 250 N 0.68 0.52 -1.37 2.25 3.38 -0.73 0.12 115.31 120.17 3had h LEU 250 Ca 0.13 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3had h LEU 250 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3had h LEU 250 CO 0.03 0.31 -0.28 0.44 0.09 0.00 0.00 178.44 179.03 3had h ASP 251 N 0.66 0.00 0.03 -0.43 3.32 -1.14 -1.10 116.42 117.75 3had h ASP 251 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3had h ASP 251 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3had h ASP 251 CO -0.25 0.28 -0.02 0.22 -1.72 0.00 0.00 179.24 177.76 3had h TYR 252 N 0.00 -0.04 0.00 4.55 3.20 -0.13 0.11 116.97 124.66 3had h TYR 252 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3had h TYR 252 Cb 0.63 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3had h TYR 252 CO 0.00 0.65 0.00 1.33 -1.64 0.00 0.00 178.16 178.50 3had n VAL 253 N -4.75 0.73 -0.00 1.81 0.24 0.24 -4.82 118.33 111.78 3had n VAL 253 Ca -0.08 0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3had n VAL 253 Cb 0.35 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 3had n VAL 253 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3had n GLY 254 N 0.51 1.53 0.19 7.63 0.00 -0.42 -4.69 105.19 109.94 3had n GLY 254 Ca 0.03 -1.36 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 3had n GLY 254 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3had h LEU 255 N 0.00 0.83 -0.40 0.99 3.38 -0.82 -2.62 115.31 116.67 3had h LEU 255 Ca 0.00 -0.63 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 3had h LEU 255 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3had h LEU 255 CO 0.00 1.43 -0.06 -2.24 0.09 0.00 0.00 178.44 177.66 3had h ASP 256 N 0.39 0.75 -0.37 -0.43 2.03 -1.89 0.59 116.42 117.49 3had h ASP 256 Ca -0.10 -0.34 0.05 0.00 -0.73 0.00 0.00 57.03 55.91 3had h ASP 256 Cb 1.60 -0.20 -0.05 0.00 -0.83 0.00 0.00 39.33 39.85 3had h ASP 256 CO 0.18 0.91 0.10 0.74 -1.03 0.00 0.00 179.24 180.15 3had h THR 257 N 0.57 0.84 0.24 1.15 2.02 -1.83 0.00 112.91 115.90 3had h THR 257 Ca 0.11 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3had h THR 257 Cb 0.57 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3had h THR 257 CO 0.03 0.04 -0.11 0.74 0.37 0.00 0.00 175.52 176.59 3had h THR 258 N 0.23 0.82 -0.75 3.16 2.02 -1.29 -2.84 112.91 114.27 3had h THR 258 Ca 0.17 -0.49 0.14 0.00 0.77 0.00 0.00 66.41 67.01 3had h THR 258 Cb 0.18 1.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.60 3had h THR 258 CO -0.21 0.11 0.30 0.50 0.37 0.00 0.00 175.52 176.59 3had h LYS 259 N -0.57 0.43 -0.67 6.66 3.64 -0.67 -0.60 116.57 124.79 3had h LYS 259 Ca -0.03 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3had h LYS 259 Cb 0.42 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 3had h LYS 259 CO 0.05 0.29 0.39 0.35 -2.27 0.00 0.00 179.45 178.26 3had h PHE 260 N 0.45 0.73 -0.38 1.91 3.57 -0.93 0.91 116.94 123.20 3had h PHE 260 Ca 0.41 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.82 3had h PHE 260 Cb 0.62 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3had h PHE 260 CO -0.16 0.39 -0.23 0.82 -2.23 0.00 0.00 178.31 176.90 3had h ILE 261 N 0.75 1.27 -0.34 1.41 2.04 -0.93 -2.44 117.51 119.27 3had h ILE 261 Ca 0.28 -1.34 -0.17 0.00 1.00 0.00 0.00 64.86 64.63 3had h ILE 261 Cb 0.10 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3had h ILE 261 CO -0.14 0.44 -0.46 0.58 0.00 0.00 0.00 178.15 178.57 3had h VAL 262 N 0.66 1.27 -0.32 1.67 2.07 -0.54 -2.62 116.25 118.43 3had h VAL 262 Ca 0.09 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 3had h VAL 262 Cb 0.73 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3had h VAL 262 CO 0.06 0.54 0.18 0.44 0.02 0.00 0.00 177.57 178.81 3had h ASP 263 N 0.73 0.39 -0.13 0.57 3.32 -0.80 0.74 116.42 121.25 3had h ASP 263 Ca 0.04 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.06 3had h ASP 263 Cb 1.06 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.45 3had h ASP 263 CO 0.11 0.36 -0.33 1.23 -1.72 0.00 0.00 179.24 178.89 3had h GLY 264 N 0.40 -0.46 2.00 2.75 0.00 -1.40 0.38 103.07 106.73 3had h GLY 264 Ca 0.11 0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 3had h GLY 264 CO -0.02 -0.22 -0.07 1.49 0.00 0.00 0.00 176.54 177.72 3had h TRP 265 N -0.41 0.00 -0.32 5.60 6.55 -1.22 -0.61 115.95 125.55 3had h TRP 265 Ca 0.09 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.78 3had h TRP 265 Cb 0.55 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.85 3had h TRP 265 CO -0.41 0.07 -0.41 1.25 -1.05 0.00 0.00 178.44 177.89 3had h HIS 266 N 0.00 1.04 -0.29 0.49 2.76 0.17 -2.25 115.15 117.07 3had h HIS 266 Ca -0.00 -0.34 -0.18 0.00 -2.20 0.00 0.00 60.37 57.66 3had h HIS 266 Cb 0.13 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 3had h HIS 266 CO 0.00 1.15 -0.52 1.49 -1.30 0.00 0.00 177.93 178.75 3had h GLU 267 N 0.64 0.84 0.00 5.26 4.81 0.20 0.44 114.58 126.76 3had h GLU 267 Ca 0.04 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3had h GLU 267 Cb 1.01 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3had h GLU 267 CO 0.10 1.15 0.00 -0.12 -0.73 0.00 0.00 179.01 179.40 3had n MET 268 N -4.01 0.51 -2.66 1.92 1.56 -0.29 -4.22 117.12 109.93 3had n MET 268 Ca -0.04 0.04 -0.04 0.00 -0.27 0.00 0.00 57.70 57.39 3had n MET 268 Cb 0.61 -1.50 0.08 0.00 2.15 0.00 0.00 33.22 34.56 3had n MET 268 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3had n ASP 269 N -1.14 -1.10 0.00 6.12 2.03 -0.85 -5.02 116.55 116.59 3had n ASP 269 Ca 0.14 -1.59 0.02 0.00 0.52 0.00 0.00 54.79 53.87 3had n ASP 269 Cb 0.12 0.60 0.10 0.00 -0.72 0.00 0.00 41.12 41.22 3had n ASP 269 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3had n ALA 270 N 1.44 1.36 0.06 -1.67 0.00 0.15 -2.21 120.51 119.64 3had n ALA 270 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3had n ALA 270 Cb 0.72 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 3had n ALA 270 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3had h GLU 271 N 0.00 0.00 -6.23 0.00 4.39 -1.94 -3.46 114.58 107.35 3had h GLU 271 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 3had h GLU 271 Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3had h GLU 271 CO 0.00 0.59 1.03 1.21 -1.16 0.00 0.00 179.01 180.68 3had s ASN 272 N -6.29 6.73 0.57 1.42 3.84 -0.94 -4.92 114.94 115.36 3had s ASN 272 Ca -0.00 2.02 0.27 0.00 0.21 0.00 0.00 52.86 55.36 3had s ASN 272 Cb 0.09 -2.53 1.68 0.00 -0.55 0.00 0.00 41.25 39.93 3had s ASN 272 CO 0.80 -0.90 2.22 1.55 -2.79 0.00 0.00 177.10 177.98 3had h PRO 273 N 9.20 0.00 0.00 0.43 0.13 -1.90 -2.56 132.00 137.30 3had h PRO 273 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3had h PRO 273 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3had h PRO 273 CO 0.96 0.01 0.00 -0.07 -0.23 0.00 0.00 178.00 178.68 3had h LEU 274 N 0.00 0.00 -2.68 1.56 3.38 -1.97 -3.05 115.31 112.55 3had h LEU 274 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3had h LEU 274 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3had h LEU 274 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3had n HIS 275 N -2.85 0.55 -1.87 1.13 8.25 -0.96 -4.86 115.22 114.62 3had n HIS 275 Ca 0.01 -0.43 -0.41 0.00 -0.26 0.00 0.00 57.72 56.62 3had n HIS 275 Cb 0.27 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 3had n HIS 275 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3had s GLN 276 N -1.04 4.18 0.56 -0.41 -1.52 -1.16 -4.55 119.66 115.73 3had s GLN 276 Ca 0.30 2.47 -0.21 0.00 -1.95 0.00 0.00 55.36 55.97 3had s GLN 276 Cb 0.16 -3.05 -0.04 0.00 -0.22 0.00 0.00 33.01 29.86 3had s GLN 276 CO 0.21 -0.54 1.34 -1.25 -0.25 0.00 0.00 175.29 174.80 3had s PRO 277 N -0.59 3.05 -0.27 2.91 0.04 -1.26 -5.01 135.00 133.86 3had s PRO 277 Ca 0.61 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.75 3had s PRO 277 Cb -0.45 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 3had s PRO 277 CO 0.47 -1.25 0.11 0.45 0.04 0.00 0.00 177.00 176.82 3had s SER 278 N -1.05 5.34 0.17 6.66 0.15 -1.26 -4.99 113.70 118.72 3had s SER 278 Ca 0.73 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.88 3had s SER 278 Cb -0.39 -1.96 0.08 0.00 -1.71 0.00 0.00 66.02 62.03 3had s SER 278 CO 0.46 -0.09 1.62 -0.65 1.20 0.00 0.00 173.24 175.78 3had h PRO 279 N 8.28 -0.19 -0.43 5.44 0.11 -1.99 0.15 132.00 143.38 3had h PRO 279 Ca -0.36 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.81 3had h PRO 279 Cb 1.17 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3had h PRO 279 CO 0.59 -0.13 0.18 0.77 -0.21 0.00 0.00 178.00 179.20 3had h SER 280 N -0.20 0.24 -0.34 -2.05 0.02 -1.98 -0.07 113.55 109.17 3had h SER 280 Ca 0.19 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3had h SER 280 Cb 0.49 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3had h SER 280 CO -0.51 0.17 0.18 0.25 -1.14 0.00 0.00 176.83 175.79 3had h LEU 281 N 0.37 0.43 -0.63 5.07 5.85 -1.69 -2.35 115.31 122.37 3had h LEU 281 Ca 0.19 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3had h LEU 281 Cb 0.14 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3had h LEU 281 CO -0.17 0.41 0.37 0.78 -0.34 0.00 0.00 178.44 179.49 3had h ASN 282 N 0.42 0.77 0.35 1.25 2.35 -0.39 -2.49 115.58 117.84 3had h ASN 282 Ca 0.12 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3had h ASN 282 Cb 0.08 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3had h ASN 282 CO -0.02 0.61 -0.33 0.50 -1.65 0.00 0.00 177.43 176.55 3had h LYS 283 N 0.85 -0.68 -0.98 0.81 3.64 -0.76 0.64 116.57 120.10 3had h LYS 283 Ca 0.22 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.79 3had h LYS 283 Cb -0.00 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 3had h LYS 283 CO -0.04 -0.45 0.62 -0.07 -2.27 0.00 0.00 179.45 177.24 3had h LEU 284 N -0.70 0.84 -0.24 5.20 3.38 -1.36 0.22 115.31 122.65 3had h LEU 284 Ca -0.02 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3had h LEU 284 Cb 0.63 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3had h LEU 284 CO -0.05 0.40 -0.01 0.58 0.09 0.00 0.00 178.44 179.46 3had h VAL 285 N 0.87 1.26 0.19 1.22 2.07 -1.00 0.40 116.25 121.25 3had h VAL 285 Ca 0.51 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3had h VAL 285 Cb 0.65 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3had h VAL 285 CO -0.28 0.29 -0.32 0.00 0.02 0.00 0.00 177.57 177.28 3had h ALA 286 N 0.80 -0.91 0.00 1.67 0.00 0.87 -1.73 119.26 119.96 3had h ALA 286 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3had h ALA 286 Cb 0.43 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3had h ALA 286 CO 0.01 -0.96 0.00 -0.85 0.00 0.00 0.00 179.25 177.45 3had n GLU 287 N -4.28 0.70 -4.22 0.00 0.28 -0.11 -4.79 120.64 108.21 3had n GLU 287 Ca -0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.62 3had n GLU 287 Cb 0.27 -1.15 -0.09 0.00 1.43 0.00 0.00 31.44 31.90 3had n GLU 287 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3had n ASN 288 N 1.37 0.06 -4.10 -1.84 3.02 -0.65 -4.91 115.26 108.22 3had n ASN 288 Ca 0.00 -1.17 -0.37 0.00 -0.03 0.00 0.00 54.58 53.01 3had n ASN 288 Cb 0.35 -1.47 -0.09 0.00 -0.61 0.00 0.00 39.78 37.96 3had n ASN 288 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3had s LYS 289 N -6.96 2.75 0.00 3.52 1.02 0.14 -4.92 119.74 115.29 3had s LYS 289 Ca 0.25 -2.70 0.28 0.00 0.02 0.00 0.00 55.97 53.81 3had s LYS 289 Cb -0.14 -3.80 0.96 0.00 -0.52 0.00 0.00 37.83 34.33 3had s LYS 289 CO 0.93 -1.20 1.69 1.19 -0.92 0.00 0.00 175.35 177.04 3had n PHE 290 N 3.23 0.00 0.00 3.18 3.72 -0.95 -4.26 117.46 122.38 3had n PHE 290 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3had n PHE 290 Cb 0.38 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3had n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3had n GLY 291 N 1.22 0.25 0.29 1.37 0.00 0.04 -0.49 105.19 107.87 3had n GLY 291 Ca 0.17 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 3had n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3had h LYS 292 N 0.00 0.96 -0.02 1.61 1.57 -1.24 0.16 116.57 119.62 3had h LYS 292 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3had h LYS 292 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3had h LYS 292 CO 0.00 1.00 0.00 0.36 -0.57 0.00 0.00 179.45 180.24 3had n LYS 293 N -4.16 0.31 0.00 3.15 2.85 -1.26 -0.61 118.16 118.43 3had n LYS 293 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 3had n LYS 293 Cb 0.38 -1.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.75 3had n LYS 293 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3had n THR 294 N -0.45 0.00 -0.29 0.58 -1.04 -1.03 -4.99 114.28 107.06 3had n THR 294 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3had n THR 294 Cb 0.00 1.63 0.00 0.00 -1.82 0.00 0.00 70.33 70.15 3had n THR 294 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3had n GLY 295 N 0.00 2.08 3.64 3.41 0.00 0.22 -4.91 105.19 109.62 3had n GLY 295 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3had n GLY 295 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3had s GLU 296 N -0.12 0.66 0.00 1.61 2.12 0.50 0.11 118.70 123.58 3had s GLU 296 Ca 0.00 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.25 3had s GLU 296 Cb 0.00 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.64 3had s GLU 296 CO 0.00 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3had n GLY 297 N 3.16 3.96 0.24 -1.50 0.00 -1.24 -0.78 105.19 109.02 3had n GLY 297 Ca -0.16 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.58 3had n GLY 297 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3had h PHE 298 N 0.00 0.00 -2.44 1.61 0.04 -1.87 -3.44 116.94 110.83 3had h PHE 298 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 3had h PHE 298 Cb 0.00 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.01 3had h PHE 298 CO 0.00 0.14 -0.64 0.71 -0.60 0.00 0.00 178.31 177.92 3had s TYR 299 N -3.61 2.11 -0.11 -0.55 2.02 -1.26 -5.14 117.35 110.80 3had s TYR 299 Ca 0.01 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 55.94 3had s TYR 299 Cb 0.09 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 3had s TYR 299 CO 0.61 0.27 0.01 0.15 -1.57 0.00 0.00 175.55 175.02 3had s LYS 300 N -3.76 3.26 0.02 -0.62 1.02 -1.26 -4.29 119.74 114.11 3had s LYS 300 Ca 0.33 -0.41 0.07 0.00 0.02 0.00 0.00 55.97 55.98 3had s LYS 300 Cb 0.06 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3had s LYS 300 CO 0.15 0.56 -0.22 0.71 -0.92 0.00 0.00 175.35 175.63 3had s TYR 301 N -0.49 1.95 0.00 3.18 1.51 0.29 -4.96 117.35 118.83 3had s TYR 301 Ca 0.09 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3had s TYR 301 Cb -0.12 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.53 3had s TYR 301 CO 0.02 0.04 0.00 0.36 -1.11 0.00 0.00 175.55 174.87