#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bhw h ARG 5 N 0.00 0.26 -5.32 0.54 2.43 -1.94 -3.43 114.38 106.93 3bhw h ARG 5 Ca 0.00 -0.21 -0.64 0.00 -0.81 0.00 0.00 59.98 58.32 3bhw h ARG 5 Cb 0.00 0.04 -0.21 0.00 -0.42 0.00 0.00 29.97 29.38 3bhw h ARG 5 CO 0.00 0.86 -0.66 0.71 -1.51 0.00 0.00 179.97 179.36 3bhw s TYR 6 N -3.63 3.03 0.19 2.20 2.02 -1.26 -4.67 117.35 115.22 3bhw s TYR 6 Ca -0.15 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 3bhw s TYR 6 Cb 0.03 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 3bhw s TYR 6 CO 0.75 -0.02 -0.04 -1.59 -1.57 0.00 0.00 175.55 173.09 3bhw s LYS 7 N 0.33 1.18 0.00 -0.62 -2.85 -1.26 -4.76 119.74 111.75 3bhw s LYS 7 Ca -0.04 -1.56 0.23 0.00 -1.00 0.00 0.00 55.97 53.60 3bhw s LYS 7 Cb -0.14 -0.53 0.64 0.00 -2.06 0.00 0.00 37.83 35.74 3bhw s LYS 7 CO 0.03 -0.04 1.50 0.00 0.10 0.00 0.00 175.35 176.94 3bhw n ALA 8 N -0.29 2.50 -0.30 0.59 0.00 -1.26 -4.48 120.51 117.27 3bhw n ALA 8 Ca -0.07 -0.65 0.15 0.00 0.00 0.00 0.00 53.44 52.87 3bhw n ALA 8 Cb 0.63 -1.01 0.41 0.00 0.00 0.00 0.00 19.45 19.47 3bhw n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3bhw h ASP 9 N 3.12 0.61 -0.97 0.00 3.32 -1.98 -0.53 116.42 119.99 3bhw h ASP 9 Ca 0.00 0.06 0.28 0.00 0.02 0.00 0.00 57.03 57.39 3bhw h ASP 9 Cb 0.68 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 3bhw h ASP 9 CO 0.00 0.25 0.69 -0.29 -1.72 0.00 0.00 179.24 178.17 3bhw h ILE 10 N 0.61 0.52 0.00 0.35 6.09 -1.94 -1.27 117.51 121.88 3bhw h ILE 10 Ca 0.51 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.99 3bhw h ILE 10 Cb 0.98 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.75 3bhw h ILE 10 CO -0.26 0.01 0.00 0.61 -3.07 0.00 0.00 178.15 175.44 3bhw n GLY 11 N -1.71 -1.11 0.29 8.18 0.00 -0.21 -3.21 105.19 107.43 3bhw n GLY 11 Ca 0.20 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.40 3bhw n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bhw h GLY 12 N 2.45 0.00 0.00 -0.02 0.00 -1.41 -3.43 103.07 100.66 3bhw h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bhw h GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3bhw n GLY 13 N -0.51 1.46 0.00 4.60 0.00 -1.20 -4.77 105.19 104.78 3bhw n GLY 13 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3bhw n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bhw n SER 14 N 0.00 0.00 -0.11 1.61 3.41 -1.26 -4.97 113.62 112.30 3bhw n SER 14 Ca 0.00 -0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.39 3bhw n SER 14 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3bhw n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3bhw h LEU 15 N 0.00 0.95 -3.09 1.04 3.38 -1.92 -3.48 115.31 112.18 3bhw h LEU 15 Ca 0.00 -0.48 -0.26 0.00 0.09 0.00 0.00 57.88 57.24 3bhw h LEU 15 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3bhw h LEU 15 CO 0.00 1.23 -0.65 0.29 0.09 0.00 0.00 178.44 179.40 3bhw n LYS 16 N -4.10 -1.57 -0.02 1.13 5.02 -1.26 -4.67 118.16 112.68 3bhw n LYS 16 Ca -0.03 1.22 -0.10 0.00 -2.02 0.00 0.00 58.31 57.38 3bhw n LYS 16 Cb 0.54 -3.86 -0.04 0.00 -0.02 0.00 0.00 35.03 31.66 3bhw n LYS 16 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3bhw h LEU 17 N 0.42 -0.00 -0.42 -0.35 5.85 -1.98 -1.26 115.31 117.56 3bhw h LEU 17 Ca -0.34 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.48 3bhw h LEU 17 Cb 1.22 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3bhw h LEU 17 CO 0.31 0.02 0.08 -0.65 -0.34 0.00 0.00 178.44 177.87 3bhw h PRO 18 N 0.09 0.20 -0.60 5.25 0.11 -1.99 0.21 132.00 135.27 3bhw h PRO 18 Ca 0.07 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3bhw h PRO 18 Cb 0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3bhw h PRO 18 CO -0.10 0.14 0.19 0.93 -0.21 0.00 0.00 178.00 178.95 3bhw h GLU 19 N 0.21 0.90 -0.19 1.05 3.07 -1.89 -2.65 114.58 115.08 3bhw h GLU 19 Ca 0.21 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 3bhw h GLU 19 Cb 0.26 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3bhw h GLU 19 CO -0.27 0.77 -0.27 0.77 -1.40 0.00 0.00 179.01 178.61 3bhw h SER 20 N 0.87 0.35 -0.28 1.42 0.02 0.13 -2.04 113.55 114.04 3bhw h SER 20 Ca 0.20 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3bhw h SER 20 Cb 0.25 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3bhw h SER 20 CO -0.01 0.62 0.04 0.03 -1.14 0.00 0.00 176.83 176.37 3bhw h ARG 21 N 0.32 0.56 -0.11 3.45 3.08 -0.31 0.55 114.38 121.91 3bhw h ARG 21 Ca 0.05 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.76 3bhw h ARG 21 Cb 0.64 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.61 3bhw h ARG 21 CO 0.05 0.56 -0.82 0.82 -1.07 0.00 0.00 179.97 179.51 3bhw h ILE 22 N 0.55 1.30 -0.34 2.04 2.04 -1.24 -1.52 117.51 120.34 3bhw h ILE 22 Ca 0.12 -2.07 -0.13 0.00 1.00 0.00 0.00 64.86 63.78 3bhw h ILE 22 Cb 0.29 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3bhw h ILE 22 CO 0.01 0.65 -0.30 0.40 0.00 0.00 0.00 178.15 178.91 3bhw h ILE 23 N 0.46 1.29 -0.95 -0.67 2.04 -1.08 -2.06 117.51 116.53 3bhw h ILE 23 Ca -0.06 -1.46 0.05 0.00 1.00 0.00 0.00 64.86 64.39 3bhw h ILE 23 Cb 1.45 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.92 3bhw h ILE 23 CO 0.16 0.48 0.62 0.00 0.00 0.00 0.00 178.15 179.41 3bhw h ALA 24 N 0.75 1.43 -0.33 1.87 0.00 -0.85 0.36 119.26 122.49 3bhw h ALA 24 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3bhw h ALA 24 Cb 0.87 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3bhw h ALA 24 CO 0.08 0.46 0.05 0.78 0.00 0.00 0.00 179.25 180.61 3bhw h GLY 25 N 1.15 0.36 1.51 0.00 0.00 -0.80 -0.81 103.07 104.48 3bhw h GLY 25 Ca 0.39 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 3bhw h GLY 25 CO -0.14 -0.04 0.04 1.41 0.00 0.00 0.00 176.54 177.82 3bhw h LEU 26 N 0.15 0.58 -0.55 3.11 3.38 -0.66 0.72 115.31 122.04 3bhw h LEU 26 Ca 0.16 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3bhw h LEU 26 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3bhw h LEU 26 CO -0.22 0.62 -0.23 -0.07 0.09 0.00 0.00 178.44 178.63 3bhw h LEU 27 N 0.59 0.96 -0.62 1.67 3.38 -0.62 -2.25 115.31 118.42 3bhw h LEU 27 Ca 0.13 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3bhw h LEU 27 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3bhw h LEU 27 CO 0.01 1.14 -0.51 -0.07 0.09 0.00 0.00 178.44 179.09 3bhw h LEU 28 N 0.81 0.00 0.01 1.67 3.38 -0.46 -3.25 115.31 117.46 3bhw h LEU 28 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3bhw h LEU 28 Cb 0.79 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.55 3bhw h LEU 28 CO 0.07 0.51 -0.41 1.05 0.09 0.00 0.00 178.44 179.75 3bhw h GLU 29 N 0.00 0.26 -0.25 1.13 4.11 -0.82 -3.50 114.58 115.50 3bhw h GLU 29 Ca -0.01 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3bhw h GLU 29 Cb 1.12 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3bhw h GLU 29 CO 0.07 1.01 0.00 0.41 0.07 0.00 0.00 179.01 180.57 3bhw n GLY 30 N 1.12 0.29 3.23 1.06 0.00 -0.85 -5.10 105.19 104.94 3bhw n GLY 30 Ca -0.10 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 3bhw n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bhw s VAL 31 N 0.00 1.23 0.83 1.61 -7.23 -1.26 -5.06 120.40 110.52 3bhw s VAL 31 Ca 0.00 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 3bhw s VAL 31 Cb 0.00 -1.56 0.09 0.00 0.56 0.00 0.00 36.38 35.47 3bhw s VAL 31 CO 0.00 -0.51 1.10 0.42 -0.31 0.00 0.00 175.10 175.80 3bhw s THR 32 N -2.42 2.97 0.22 5.32 -4.23 -1.26 -4.78 115.64 111.45 3bhw s THR 32 Ca 0.10 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 3bhw s THR 32 Cb -0.03 -2.74 0.17 0.00 1.34 0.00 0.00 72.50 71.24 3bhw s THR 32 CO 0.02 -0.41 1.88 1.05 -0.54 0.00 0.00 174.62 176.62 3bhw h GLU 33 N -1.36 1.06 -1.01 3.99 9.09 -2.01 0.58 114.58 124.91 3bhw h GLU 33 Ca -0.46 -0.07 0.04 0.00 0.05 0.00 0.00 59.36 58.92 3bhw h GLU 33 Cb 1.25 -0.23 -0.06 0.00 -1.65 0.00 0.00 28.75 28.06 3bhw h GLU 33 CO 0.51 0.71 0.66 -0.44 0.05 0.00 0.00 179.01 180.50 3bhw h ASP 34 N 1.08 1.09 0.59 3.06 3.32 -2.00 -2.24 116.42 121.32 3bhw h ASP 34 Ca 0.29 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 3bhw h ASP 34 Cb -0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3bhw h ASP 34 CO -0.06 0.74 -0.65 -0.61 -1.72 0.00 0.00 179.24 176.93 3bhw h GLN 35 N 1.26 0.05 0.01 3.56 5.75 -1.63 -1.15 115.11 122.96 3bhw h GLN 35 Ca 0.41 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3bhw h GLN 35 Cb 0.03 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.59 3bhw h GLN 35 CO -0.13 0.69 -0.00 2.35 -2.65 0.00 0.00 178.83 179.08 3bhw h TRP 36 N 0.04 -0.01 -0.56 3.99 2.91 -0.40 0.78 115.95 122.71 3bhw h TRP 36 Ca -0.01 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.96 3bhw h TRP 36 Cb 1.16 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.79 3bhw h TRP 36 CO 0.01 0.01 0.17 0.00 -1.03 0.00 0.00 178.44 177.59 3bhw h ARG 37 N -0.02 0.87 -0.22 2.65 3.08 -1.29 -2.31 114.38 117.14 3bhw h ARG 37 Ca -0.00 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 59.89 3bhw h ARG 37 Cb 0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3bhw h ARG 37 CO 0.00 0.80 0.01 1.25 -1.07 0.00 0.00 179.97 180.96 3bhw h HIS 38 N 0.78 0.00 -1.00 3.04 2.76 -1.07 0.25 115.15 119.92 3bhw h HIS 38 Ca 0.18 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.44 3bhw h HIS 38 Cb 0.30 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.22 3bhw h HIS 38 CO 0.02 -0.02 0.65 0.00 -1.30 0.00 0.00 177.93 177.27 3bhw h ALA 39 N 1.19 1.42 0.01 5.26 0.00 -0.57 0.10 119.26 126.66 3bhw h ALA 39 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bhw h ALA 39 Cb 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3bhw h ALA 39 CO -0.17 0.42 -0.00 0.82 0.00 0.00 0.00 179.25 180.32 3bhw h ILE 40 N 1.15 1.57 0.00 0.00 1.08 -1.31 -0.80 117.51 119.20 3bhw h ILE 40 Ca 0.44 -1.88 -0.27 0.00 -0.39 0.00 0.00 64.86 62.76 3bhw h ILE 40 Cb 0.20 2.82 -0.04 0.00 -3.07 0.00 0.00 36.82 36.73 3bhw h ILE 40 CO -0.18 0.48 -1.51 -0.33 -0.69 0.00 0.00 178.15 175.92 3bhw h GLU 41 N -0.84 0.00 0.00 2.37 5.08 -0.87 -3.21 114.58 117.10 3bhw h GLU 41 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3bhw h GLU 41 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3bhw h GLU 41 CO 0.00 0.62 -0.94 0.28 -1.00 0.00 0.00 179.01 177.97 3bhw n VAL 42 N -3.12 0.78 0.27 3.13 0.31 0.20 -4.58 118.33 115.32 3bhw n VAL 42 Ca -0.12 0.08 0.15 0.00 -0.01 0.00 0.00 64.34 64.44 3bhw n VAL 42 Cb 1.02 -1.68 0.70 0.00 -0.91 0.00 0.00 33.84 32.97 3bhw n VAL 42 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3bhw h GLU 43 N -0.27 0.00 -5.69 5.55 5.08 -1.26 -3.47 114.58 114.51 3bhw h GLU 43 Ca -0.11 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.91 3bhw h GLU 43 Cb 0.80 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.21 3bhw h GLU 43 CO -0.07 0.07 -0.76 -1.71 -1.00 0.00 0.00 179.01 175.55 3bhw n ASN 44 N -3.25 -2.78 0.27 1.42 5.15 -0.68 -4.88 115.26 110.51 3bhw n ASN 44 Ca -0.00 -0.61 0.18 0.00 -0.60 0.00 0.00 54.58 53.55 3bhw n ASN 44 Cb 0.30 -5.10 0.91 0.00 -0.53 0.00 0.00 39.78 35.36 3bhw n ASN 44 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 3bhw h VAL 45 N -2.04 0.00 -0.00 3.44 -1.51 -1.35 0.12 116.25 114.91 3bhw h VAL 45 Ca -0.59 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 3bhw h VAL 45 Cb 1.35 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3bhw h VAL 45 CO 0.51 0.00 -0.32 0.18 -1.23 0.00 0.00 177.57 176.71 3bhw n LEU 46 N -2.82 0.70 -2.56 4.19 4.77 -1.26 -4.96 117.00 115.05 3bhw n LEU 46 Ca -0.01 -0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 3bhw n LEU 46 Cb 0.12 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3bhw n LEU 46 CO 0.19 0.14 0.13 0.00 -1.33 0.00 0.00 177.39 176.53 3bhw n GLN 47 N -1.06 -4.95 0.00 3.23 1.13 0.03 -5.01 117.38 110.74 3bhw n GLN 47 Ca 0.10 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 3bhw n GLN 47 Cb 0.33 -4.73 0.00 0.00 0.11 0.00 0.00 30.24 25.96 3bhw n GLN 47 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3bhw n ARG 48 N -3.33 3.31 0.00 -1.09 5.12 -1.26 -5.19 116.66 114.22 3bhw n ARG 48 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 3bhw n ARG 48 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 3bhw n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bhw n ALA 54 N -3.00 0.00 -0.27 7.54 0.00 -1.26 -5.10 120.51 118.43 3bhw n ALA 54 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3bhw n ALA 54 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3bhw n ALA 54 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3bhw h LYS 55 N 0.00 1.04 -0.47 0.00 1.57 -2.00 -2.84 116.57 113.87 3bhw h LYS 55 Ca 0.00 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3bhw h LYS 55 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3bhw h LYS 55 CO 0.00 0.80 0.16 0.00 -0.57 0.00 0.00 179.45 179.84 3bhw h ARG 56 N 1.02 0.73 -0.27 3.15 3.08 -2.00 -1.76 114.38 118.34 3bhw h ARG 56 Ca 0.26 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3bhw h ARG 56 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3bhw h ARG 56 CO -0.04 0.68 0.15 0.37 -1.07 0.00 0.00 179.97 180.07 3bhw h GLN 57 N 0.63 0.37 -0.61 0.04 4.15 -1.82 -0.49 115.11 117.37 3bhw h GLN 57 Ca 0.15 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 3bhw h GLN 57 Cb 0.25 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 3bhw h GLN 57 CO -0.01 0.32 0.32 0.77 -1.93 0.00 0.00 178.83 178.30 3bhw h SER 58 N 0.33 0.76 -0.28 -0.69 0.02 -1.41 -1.16 113.55 111.12 3bhw h SER 58 Ca 0.10 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3bhw h SER 58 Cb 0.05 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3bhw h SER 58 CO -0.02 0.63 0.09 0.77 -1.14 0.00 0.00 176.83 177.16 3bhw h SER 59 N 0.86 0.41 -0.03 3.07 4.64 -0.85 -1.47 113.55 120.17 3bhw h SER 59 Ca 0.22 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3bhw h SER 59 Cb 0.05 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 3bhw h SER 59 CO -0.03 0.50 -0.19 0.25 -0.87 0.00 0.00 176.83 176.49 3bhw h LEU 60 N 0.30 -0.56 -1.20 5.97 5.85 -0.48 0.44 115.31 125.64 3bhw h LEU 60 Ca 0.09 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3bhw h LEU 60 Cb 0.23 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3bhw h LEU 60 CO -0.00 -0.25 0.40 0.24 -0.34 0.00 0.00 178.44 178.49 3bhw h MET 61 N -0.29 0.95 -0.07 1.25 2.86 -1.16 0.34 114.93 118.81 3bhw h MET 61 Ca 0.07 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3bhw h MET 61 Cb 0.38 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3bhw h MET 61 CO -0.20 0.68 -0.12 -0.09 1.06 0.00 0.00 176.91 178.24 3bhw h ARG 62 N 0.96 0.20 -0.48 1.72 2.43 -0.92 -2.40 114.38 115.89 3bhw h ARG 62 Ca 0.25 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3bhw h ARG 62 Cb -0.01 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3bhw h ARG 62 CO -0.04 0.70 0.17 -0.91 -1.51 0.00 0.00 179.97 178.38 3bhw h ASN 63 N -0.28 0.18 -0.28 -3.80 -0.26 0.52 0.71 115.58 112.36 3bhw h ASN 63 Ca 0.00 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.86 3bhw h ASN 63 Cb 0.69 0.04 -0.08 0.00 -1.06 0.00 0.00 38.32 37.91 3bhw h ASN 63 CO 0.03 0.13 -0.43 0.03 -1.06 0.00 0.00 177.43 176.13 3bhw h ARG 64 N 0.35 -0.39 0.00 0.81 3.08 -0.36 -2.87 114.38 115.00 3bhw h ARG 64 Ca 0.23 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 3bhw h ARG 64 Cb 0.23 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3bhw h ARG 64 CO -0.23 -0.26 -0.21 -0.07 -1.07 0.00 0.00 179.97 178.13 3bhw h LEU 65 N -0.40 0.00 0.00 3.04 3.38 -0.85 -2.45 115.31 118.03 3bhw h LEU 65 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3bhw h LEU 65 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3bhw h LEU 65 CO -0.49 0.21 0.00 -0.62 0.09 0.00 0.00 178.44 177.62 3bhw n GLU 66 N -4.15 0.04 0.05 1.13 1.02 0.18 -1.14 120.64 117.76 3bhw n GLU 66 Ca -0.02 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 3bhw n GLU 66 Cb 0.27 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.63 3bhw n GLU 66 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3bhw n THR 67 N -1.47 0.68 -4.72 2.62 -2.24 -0.92 -4.87 114.28 103.36 3bhw n THR 67 Ca 0.05 0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.63 3bhw n THR 67 Cb 0.22 -0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 3bhw n THR 67 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3bhw s MET 68 N -3.09 2.16 0.54 -0.78 -1.94 -0.29 -5.07 119.30 110.82 3bhw s MET 68 Ca 0.08 -2.39 0.03 0.00 -1.71 0.00 0.00 55.69 51.71 3bhw s MET 68 Cb 0.12 -1.29 0.02 0.00 2.01 0.00 0.00 34.83 35.69 3bhw s MET 68 CO 0.40 -0.43 0.21 0.20 -0.01 0.00 0.00 175.02 175.40 3bhw s GLY 69 N -3.83 2.72 0.48 -0.03 0.00 -1.26 -4.94 107.32 100.45 3bhw s GLY 69 Ca 0.07 -0.72 0.19 0.00 0.00 0.00 0.00 44.72 44.26 3bhw s GLY 69 CO 0.05 -2.08 1.98 -2.55 0.00 0.00 0.00 173.10 170.50 3bhw h PRO 70 N 1.00 0.21 -0.58 2.90 0.11 -1.98 -1.31 132.00 132.35 3bhw h PRO 70 Ca -0.40 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3bhw h PRO 70 Cb 1.31 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3bhw h PRO 70 CO 0.65 0.14 -0.03 1.49 -0.21 0.00 0.00 178.00 180.03 3bhw h GLU 71 N 0.22 1.04 0.00 1.05 4.81 -1.99 -0.28 114.58 119.43 3bhw h GLU 71 Ca 0.28 -0.34 -0.25 0.00 -0.13 0.00 0.00 59.36 58.92 3bhw h GLU 71 Cb 0.80 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.11 3bhw h GLU 71 CO -0.05 1.04 -1.00 1.25 -0.73 0.00 0.00 179.01 179.51 3bhw h LEU 72 N 0.94 0.74 -0.97 1.64 6.46 -1.72 -2.46 115.31 119.94 3bhw h LEU 72 Ca 0.16 -0.59 0.14 0.00 -0.12 0.00 0.00 57.88 57.47 3bhw h LEU 72 Cb 0.59 -0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 3bhw h LEU 72 CO 0.04 1.39 0.59 -0.50 -0.62 0.00 0.00 178.44 179.34 3bhw h TRP 73 N 0.32 1.06 -0.35 1.25 6.55 -1.10 -1.39 115.95 122.28 3bhw h TRP 73 Ca -0.11 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.67 3bhw h TRP 73 Cb 1.65 -0.33 -0.02 0.00 -0.86 0.00 0.00 29.16 29.61 3bhw h TRP 73 CO 0.08 0.35 -0.19 0.37 -1.05 0.00 0.00 178.44 178.01 3bhw h GLN 74 N 0.87 0.66 -0.73 0.49 5.75 -0.84 -0.26 115.11 121.05 3bhw h GLN 74 Ca 0.51 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3bhw h GLN 74 Cb 0.61 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 3bhw h GLN 74 CO -0.31 0.81 0.45 0.52 -2.65 0.00 0.00 178.83 177.65 3bhw h MET 75 N 0.59 0.98 -0.11 1.69 2.86 -0.95 0.69 114.93 120.68 3bhw h MET 75 Ca 0.09 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3bhw h MET 75 Cb 0.65 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3bhw h MET 75 CO 0.05 0.68 0.01 0.28 1.06 0.00 0.00 176.91 178.99 3bhw h VAL 76 N 0.99 1.23 -0.32 -2.22 2.07 -0.70 -0.02 116.25 117.29 3bhw h VAL 76 Ca 0.26 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3bhw h VAL 76 Cb -0.06 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3bhw h VAL 76 CO -0.05 0.21 -0.10 -0.09 0.02 0.00 0.00 177.57 177.56 3bhw h ARG 77 N -0.05 0.62 0.00 1.57 2.43 -0.92 -3.37 114.38 114.65 3bhw h ARG 77 Ca 0.03 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3bhw h ARG 77 Cb 0.31 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3bhw h ARG 77 CO 0.00 0.82 -1.60 -0.25 -1.51 0.00 0.00 179.97 177.43 3bhw n ASP 78 N -4.43 1.67 -4.66 -3.80 8.00 0.22 -4.98 116.55 108.57 3bhw n ASP 78 Ca -0.03 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.14 3bhw n ASP 78 Cb 0.34 1.62 0.13 0.00 -0.02 0.00 0.00 41.12 43.19 3bhw n ASP 78 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bhw s GLY 79 N -3.58 1.63 1.05 0.44 0.00 -0.02 -5.02 107.32 101.81 3bhw s GLY 79 Ca -0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 3bhw s GLY 79 CO 0.59 -0.16 1.07 -1.35 0.00 0.00 0.00 173.10 173.25 3bhw s SER 80 N -4.46 2.06 0.15 1.64 1.04 -1.26 -4.57 113.70 108.30 3bhw s SER 80 Ca 0.65 1.47 -0.20 0.00 0.48 0.00 0.00 55.95 58.35 3bhw s SER 80 Cb -0.10 -2.16 0.05 0.00 0.10 0.00 0.00 66.02 63.90 3bhw s SER 80 CO 0.51 -3.52 1.66 0.74 0.98 0.00 0.00 173.24 173.61 3bhw h THR 81 N -2.16 0.56 -0.29 2.02 2.02 -1.97 0.24 112.91 113.33 3bhw h THR 81 Ca -0.56 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.47 3bhw h THR 81 Cb 1.32 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3bhw h THR 81 CO 0.53 0.00 -0.43 -0.61 0.37 0.00 0.00 175.52 175.37 3bhw h GLN 82 N -0.10 0.81 0.00 6.66 5.75 -1.99 -1.30 115.11 124.93 3bhw h GLN 82 Ca 0.15 -0.48 -0.00 0.00 -0.15 0.00 0.00 58.65 58.17 3bhw h GLN 82 Cb 0.33 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.93 3bhw h GLN 82 CO -0.36 1.11 -0.00 0.28 -2.65 0.00 0.00 178.83 177.21 3bhw h VAL 83 N 0.57 1.11 -0.51 2.39 2.07 -1.83 -2.01 116.25 118.03 3bhw h VAL 83 Ca 0.03 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3bhw h VAL 83 Cb 1.03 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3bhw h VAL 83 CO 0.10 0.08 0.26 0.00 0.02 0.00 0.00 177.57 178.03 3bhw h ALA 84 N 0.86 0.65 -0.45 1.67 0.00 -0.54 -1.98 119.26 119.48 3bhw h ALA 84 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3bhw h ALA 84 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3bhw h ALA 84 CO 0.00 0.20 -0.01 0.97 0.00 0.00 0.00 179.25 180.41 3bhw h ILE 85 N 0.68 1.24 -0.20 0.00 6.09 -1.16 -0.66 117.51 123.50 3bhw h ILE 85 Ca 0.18 -0.98 -0.11 0.00 -1.37 0.00 0.00 64.86 62.58 3bhw h ILE 85 Cb 0.09 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 38.28 3bhw h ILE 85 CO -0.02 0.34 -0.34 1.56 -3.07 0.00 0.00 178.15 176.62 3bhw h GLN 86 N 0.69 0.42 -0.39 2.19 4.20 -1.12 0.14 115.11 121.23 3bhw h GLN 86 Ca 0.14 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3bhw h GLN 86 Cb 0.44 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3bhw h GLN 86 CO 0.02 0.71 -0.14 0.00 -0.67 0.00 0.00 178.83 178.76 3bhw h ALA 87 N 1.28 0.55 -0.84 3.87 0.00 -0.94 -1.39 119.26 121.79 3bhw h ALA 87 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3bhw h ALA 87 Cb 0.78 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3bhw h ALA 87 CO 0.06 0.45 0.40 0.28 0.00 0.00 0.00 179.25 180.45 3bhw h VAL 88 N 0.60 1.26 -1.01 0.00 2.07 -0.61 -1.52 116.25 117.04 3bhw h VAL 88 Ca 0.09 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.95 3bhw h VAL 88 Cb 0.68 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3bhw h VAL 88 CO 0.05 0.31 0.65 0.15 0.02 0.00 0.00 177.57 178.75 3bhw h PHE 89 N 1.20 1.21 -0.26 1.57 3.57 -0.45 0.16 116.94 123.93 3bhw h PHE 89 Ca 0.29 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 3bhw h PHE 89 Cb 0.12 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 3bhw h PHE 89 CO 0.02 0.63 -0.31 0.00 -2.23 0.00 0.00 178.31 176.41 3bhw h ALA 90 N 1.46 0.39 -0.84 2.41 0.00 -0.73 -0.16 119.26 121.79 3bhw h ALA 90 Ca 0.43 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bhw h ALA 90 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3bhw h ALA 90 CO -0.17 0.43 0.54 0.00 0.00 0.00 0.00 179.25 180.04 3bhw h ALA 91 N 0.68 1.37 -0.47 0.00 0.00 -0.77 -0.47 119.26 119.60 3bhw h ALA 91 Ca 0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3bhw h ALA 91 Cb 0.89 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3bhw h ALA 91 CO 0.08 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.70 3bhw h ALA 92 N 1.45 0.77 0.25 0.00 0.00 0.19 -1.78 119.26 120.14 3bhw h ALA 92 Ca 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3bhw h ALA 92 Cb -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3bhw h ALA 92 CO -0.06 0.66 -0.12 0.82 0.00 0.00 0.00 179.25 180.55 3bhw h ILE 93 N 0.82 0.78 -1.00 0.00 2.04 -0.75 -1.67 117.51 117.72 3bhw h ILE 93 Ca 0.11 -0.18 0.18 0.00 1.00 0.00 0.00 64.86 65.97 3bhw h ILE 93 Cb 0.75 0.89 -0.10 0.00 -0.74 0.00 0.00 36.82 37.61 3bhw h ILE 93 CO 0.06 0.04 0.61 0.50 0.00 0.00 0.00 178.15 179.36 3bhw h LYS 94 N -0.43 0.77 0.00 2.37 3.64 -0.95 -1.83 116.57 120.14 3bhw h LYS 94 Ca -0.03 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 3bhw h LYS 94 Cb 0.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3bhw h LYS 94 CO 0.06 0.51 -0.45 1.25 -2.27 0.00 0.00 179.45 178.54 3bhw h HIS 95 N 0.79 0.00 -3.39 1.91 2.76 -1.19 -3.43 115.15 112.61 3bhw h HIS 95 Ca 0.56 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 58.12 3bhw h HIS 95 Cb 0.83 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.39 3bhw h HIS 95 CO -0.01 0.45 -0.74 0.45 -1.30 0.00 0.00 177.93 176.78 3bhw s SER 96 N -6.45 4.29 0.49 3.26 0.15 -0.64 -4.96 113.70 109.84 3bhw s SER 96 Ca 0.02 -1.80 0.15 0.00 0.70 0.00 0.00 55.95 55.02 3bhw s SER 96 Cb 0.10 -1.17 1.17 0.00 -1.71 0.00 0.00 66.02 64.40 3bhw s SER 96 CO 0.71 -0.39 2.10 0.74 1.20 0.00 0.00 173.24 177.60 3bhw h THR 97 N 6.55 0.98 -0.41 6.45 2.02 -1.84 -0.51 112.91 126.15 3bhw h THR 97 Ca -0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3bhw h THR 97 Cb 1.02 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3bhw h THR 97 CO 0.48 0.03 0.21 0.25 0.37 0.00 0.00 175.52 176.86 3bhw h LEU 98 N 0.16 0.52 0.21 2.58 5.85 -1.85 -0.24 115.31 122.54 3bhw h LEU 98 Ca 0.09 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3bhw h LEU 98 Cb 0.16 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3bhw h LEU 98 CO -0.01 0.48 -0.10 0.25 -0.34 0.00 0.00 178.44 178.72 3bhw h LEU 99 N 0.52 -0.23 -0.51 2.25 5.85 -1.80 -2.65 115.31 118.74 3bhw h LEU 99 Ca 0.14 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3bhw h LEU 99 Cb 0.09 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3bhw h LEU 99 CO -0.02 0.11 0.18 1.23 -0.34 0.00 0.00 178.44 179.60 3bhw h GLY 100 N -0.60 0.68 1.78 3.75 0.00 -1.04 -1.59 103.07 106.05 3bhw h GLY 100 Ca -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 3bhw h GLY 100 CO 0.05 -0.00 -0.26 -0.55 0.00 0.00 0.00 176.54 175.78 3bhw h ASP 101 N 0.35 0.25 -0.52 0.19 5.19 -1.13 0.11 116.42 120.86 3bhw h ASP 101 Ca 0.25 -0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 3bhw h ASP 101 Cb 0.27 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 3bhw h ASP 101 CO -0.26 0.52 0.27 0.15 -3.12 0.00 0.00 179.24 176.80 3bhw h PHE 102 N 0.23 0.49 0.13 4.55 3.57 -0.92 0.63 116.94 125.62 3bhw h PHE 102 Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3bhw h PHE 102 Cb 0.59 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3bhw h PHE 102 CO 0.01 0.24 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.20 3bhw h LEU 103 N 0.52 -0.15 -0.23 0.59 3.38 -0.90 -0.74 115.31 117.77 3bhw h LEU 103 Ca 0.23 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3bhw h LEU 103 Cb 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3bhw h LEU 103 CO -0.15 0.23 0.08 -0.78 0.09 0.00 0.00 178.44 177.91 3bhw h ASP 104 N -0.55 0.33 0.01 -0.43 3.58 -0.67 0.11 116.42 118.79 3bhw h ASP 104 Ca -0.02 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3bhw h ASP 104 Cb 0.43 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.40 3bhw h ASP 104 CO 0.03 0.43 -1.36 0.18 -2.88 0.00 0.00 179.24 175.64 3bhw n LEU 105 N -4.78 0.63 0.05 2.28 4.77 0.20 -4.47 117.00 115.68 3bhw n LEU 105 Ca -0.03 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3bhw n LEU 105 Cb 0.14 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3bhw n LEU 105 CO 0.36 0.16 -0.13 0.55 -1.33 0.00 0.00 177.39 176.99 3bhw n VAL 106 N -1.78 0.50 -0.17 4.08 3.14 -0.65 -4.73 118.33 118.73 3bhw n VAL 106 Ca 0.01 0.16 -0.05 0.00 -2.96 0.00 0.00 64.34 61.51 3bhw n VAL 106 Cb 0.42 -1.21 0.05 0.00 -1.06 0.00 0.00 33.84 32.04 3bhw n VAL 106 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3bhw h VAL 107 N 0.00 0.98 -0.47 1.55 2.07 -1.00 -2.15 116.25 117.22 3bhw h VAL 107 Ca 0.00 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3bhw h VAL 107 Cb 0.27 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3bhw h VAL 107 CO 0.00 0.10 0.11 -0.09 0.02 0.00 0.00 177.57 177.71 3bhw h ARG 108 N 0.52 0.25 0.00 1.57 2.43 -1.19 -2.15 114.38 115.81 3bhw h ARG 108 Ca 0.22 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3bhw h ARG 108 Cb 0.10 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3bhw h ARG 108 CO -0.14 0.16 -0.32 0.22 -1.51 0.00 0.00 179.97 178.39 3bhw h ASP 109 N 0.26 0.00 -0.33 -3.80 3.58 -1.74 -2.67 116.42 111.72 3bhw h ASP 109 Ca 0.23 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 3bhw h ASP 109 Cb 0.29 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 3bhw h ASP 109 CO -0.29 0.32 0.16 1.56 -2.88 0.00 0.00 179.24 178.11 3bhw h GLN 110 N 0.00 0.53 0.00 0.28 1.08 -0.75 -1.69 115.11 114.55 3bhw h GLN 110 Ca -0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3bhw h GLN 110 Cb 0.79 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3bhw h GLN 110 CO 0.04 0.43 0.00 1.19 -0.95 0.00 0.00 178.83 179.55 3bhw n PHE 111 N -4.39 0.00 0.08 2.96 3.72 -1.00 -0.98 117.46 117.84 3bhw n PHE 111 Ca 0.02 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.43 3bhw n PHE 111 Cb 0.13 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3bhw n PHE 111 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3bhw h ARG 112 N 0.00 0.00 -7.18 -1.08 2.43 -1.46 -3.47 114.38 103.62 3bhw h ARG 112 Ca 0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 3bhw h ARG 112 Cb 0.00 0.00 0.21 0.00 -0.42 0.00 0.00 29.97 29.76 3bhw h ARG 112 CO 0.00 0.43 0.07 -1.33 -1.51 0.00 0.00 179.97 177.63 3bhw n MET 113 N -3.07 -1.52 -3.39 0.20 2.81 -0.15 -5.00 117.12 107.01 3bhw n MET 113 Ca -0.04 -0.39 -0.38 0.00 -1.81 0.00 0.00 57.70 55.07 3bhw n MET 113 Cb 0.80 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.00 3bhw n MET 113 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 3bhw s PHE 114 N -2.51 3.69 -0.79 2.03 2.19 -1.26 -4.13 117.98 117.20 3bhw s PHE 114 Ca 0.68 1.04 -0.01 0.00 0.33 0.00 0.00 56.93 58.97 3bhw s PHE 114 Cb -0.24 -2.42 -0.00 0.00 -1.31 0.00 0.00 43.02 39.05 3bhw s PHE 114 CO 0.62 0.50 0.67 0.54 1.83 0.00 0.00 175.22 179.38 3bhw n ARG 115 N 2.31 -1.41 -1.72 10.12 5.12 -1.26 -4.89 116.66 124.93 3bhw n ARG 115 Ca -0.11 1.20 -0.41 0.00 -1.93 0.00 0.00 57.85 56.60 3bhw n ARG 115 Cb 0.52 -4.47 0.01 0.00 -1.16 0.00 0.00 32.46 27.35 3bhw n ARG 115 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3bhw n PRO 116 N -2.16 2.10 -4.35 5.56 -0.02 -1.26 -4.91 135.00 129.96 3bhw n PRO 116 Ca -0.12 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 61.93 3bhw n PRO 116 Cb 0.57 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 3bhw n PRO 116 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3bhw s ASP 117 N -0.45 1.50 -0.39 2.55 1.47 -1.26 -0.94 116.67 119.15 3bhw s ASP 117 Ca 0.60 -1.45 0.09 0.00 1.18 0.00 0.00 52.55 52.96 3bhw s ASP 117 Cb -0.50 0.22 0.27 0.00 -0.34 0.00 0.00 42.92 42.58 3bhw s ASP 117 CO 0.59 -0.78 0.59 -0.11 0.68 0.00 0.00 175.17 176.15 3bhw n LEU 118 N -0.55 0.07 -4.74 2.11 7.94 0.55 -4.83 117.00 117.55 3bhw n LEU 118 Ca -0.00 -4.65 -0.33 0.00 -1.11 0.00 0.00 56.01 49.91 3bhw n LEU 118 Cb 0.66 0.67 0.08 0.00 0.53 0.00 0.00 43.42 45.36 3bhw n LEU 118 CO 0.37 2.11 0.75 -2.16 -1.11 0.00 0.00 177.39 177.35 3bhw s PRO 119 N -1.29 2.35 0.46 1.96 0.04 -1.26 -4.88 135.00 132.38 3bhw s PRO 119 Ca 0.36 1.51 0.19 0.00 0.04 0.00 0.00 61.00 63.09 3bhw s PRO 119 Cb 0.21 -1.88 1.16 0.00 0.04 0.00 0.00 34.50 34.03 3bhw s PRO 119 CO -0.11 -1.62 1.93 0.00 0.04 0.00 0.00 177.00 177.23 3bhw h ARG 120 N -0.39 0.28 -0.51 4.56 2.47 -1.99 -0.94 114.38 117.87 3bhw h ARG 120 Ca -0.46 -0.02 0.15 0.00 -1.26 0.00 0.00 59.98 58.39 3bhw h ARG 120 Cb 1.26 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 3bhw h ARG 120 CO 0.51 0.19 0.43 1.57 0.56 0.00 0.00 179.97 183.22 3bhw h LYS 121 N 0.29 0.00 -0.23 0.04 2.10 -1.99 -0.43 116.57 116.35 3bhw h LYS 121 Ca 0.36 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.86 3bhw h LYS 121 Cb 0.97 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.29 3bhw h LYS 121 CO -0.09 0.00 -0.47 0.52 -2.00 0.00 0.00 179.45 177.41 3bhw h MET 122 N 0.00 0.61 -0.18 0.07 2.86 -1.51 -0.36 114.93 116.43 3bhw h MET 122 Ca 0.24 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3bhw h MET 122 Cb 1.09 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 3bhw h MET 122 CO -0.00 0.95 -0.08 2.35 1.06 0.00 0.00 176.91 181.18 3bhw h TRP 123 N 0.49 0.42 -0.38 -0.22 2.91 -1.23 -2.23 115.95 115.71 3bhw h TRP 123 Ca 0.03 -0.10 0.08 0.00 1.13 0.00 0.00 58.89 60.02 3bhw h TRP 123 Cb 1.00 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.48 3bhw h TRP 123 CO 0.04 0.67 -0.11 -0.44 -1.03 0.00 0.00 178.44 177.57 3bhw h ASP 124 N 0.05 -0.40 0.57 2.65 5.19 -1.13 -1.01 116.42 122.34 3bhw h ASP 124 Ca 0.04 0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.44 3bhw h ASP 124 Cb 0.56 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 3bhw h ASP 124 CO 0.02 -0.14 -0.61 1.56 -3.12 0.00 0.00 179.24 176.95 3bhw h GLN 125 N -0.02 0.04 -0.08 3.56 4.20 -1.10 -1.91 115.11 119.79 3bhw h GLN 125 Ca 0.18 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3bhw h GLN 125 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3bhw h GLN 125 CO -0.40 0.64 0.03 -0.92 -0.67 0.00 0.00 178.83 177.51 3bhw h TYR 126 N 0.03 0.13 -0.58 2.96 3.20 -0.92 -1.46 116.97 120.32 3bhw h TYR 126 Ca -0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3bhw h TYR 126 Cb 1.09 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 3bhw h TYR 126 CO 0.00 0.24 0.28 -0.07 -1.64 0.00 0.00 178.16 176.98 3bhw h LEU 127 N -0.03 0.37 -0.59 2.82 3.38 -0.96 0.13 115.31 120.42 3bhw h LEU 127 Ca 0.03 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.17 3bhw h LEU 127 Cb 0.17 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 3bhw h LEU 127 CO -0.00 0.24 -0.05 -0.33 0.09 0.00 0.00 178.44 178.39 3bhw h GLU 128 N 0.51 0.07 -0.64 1.13 5.08 -1.04 -1.44 114.58 118.26 3bhw h GLU 128 Ca 0.27 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3bhw h GLU 128 Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3bhw h GLU 128 CO -0.22 0.05 0.33 0.37 -1.00 0.00 0.00 179.01 178.54 3bhw h GLN 129 N 0.08 0.91 -0.60 2.33 5.75 -0.70 -2.59 115.11 120.29 3bhw h GLN 129 Ca 0.30 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3bhw h GLN 129 Cb 0.48 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 3bhw h GLN 129 CO -0.54 0.71 0.37 0.00 -2.65 0.00 0.00 178.83 176.73 3bhw h ARG 131 N 0.75 0.23 -0.77 0.00 2.47 -1.17 0.17 114.38 116.06 3bhw h ARG 131 Ca 0.23 -0.01 0.14 0.00 -1.26 0.00 0.00 59.98 59.08 3bhw h ARG 131 Cb -0.01 -0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.16 3bhw h ARG 131 CO -0.08 0.15 0.32 -0.97 0.56 0.00 0.00 179.97 179.95 3bhw h ASN 132 N 0.23 0.31 1.53 7.04 -1.24 -1.05 -2.71 115.58 119.70 3bhw h ASN 132 Ca 0.12 0.11 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 3bhw h ASN 132 Cb 0.08 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 3bhw h ASN 132 CO -0.12 0.12 -0.48 0.03 -1.29 0.00 0.00 177.43 175.69 3bhw h ARG 133 N 0.47 0.00 -3.20 6.67 3.08 -0.48 -3.41 114.38 117.51 3bhw h ARG 133 Ca 0.42 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.85 3bhw h ARG 133 Cb 0.64 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.28 3bhw h ARG 133 CO -0.40 0.17 -0.70 0.34 -1.07 0.00 0.00 179.97 178.31 3bhw s ASP 134 N -6.07 3.93 0.27 7.04 2.15 0.55 -4.95 116.67 119.58 3bhw s ASP 134 Ca 0.04 -2.71 0.19 0.00 0.43 0.00 0.00 52.55 50.50 3bhw s ASP 134 Cb 0.07 -1.26 0.99 0.00 -0.30 0.00 0.00 42.92 42.42 3bhw s ASP 134 CO 0.73 -0.26 1.59 -2.65 -0.17 0.00 0.00 175.17 174.40 3bhw n PRO 135 N 3.46 0.13 0.00 4.34 -0.02 -1.25 -1.78 135.00 139.88 3bhw n PRO 135 Ca 0.07 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 3bhw n PRO 135 Cb 0.34 -1.88 0.10 0.00 -0.02 0.00 0.00 33.50 32.04 3bhw n PRO 135 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3bhw n LEU 136 N -2.15 2.84 0.00 2.45 4.77 -1.26 -5.15 117.00 118.49 3bhw n LEU 136 Ca -0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3bhw n LEU 136 Cb 0.06 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3bhw n LEU 136 CO 0.10 0.48 0.00 0.23 -1.33 0.00 0.00 177.39 176.87 3bhw n MET 137 N 1.15 3.23 -0.06 3.23 2.81 -0.73 -4.72 117.12 122.03 3bhw n MET 137 Ca 0.14 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.80 3bhw n MET 137 Cb 0.58 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.96 3bhw n MET 137 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3bhw n ASP 142 N 0.00 2.00 -0.21 7.83 8.00 -1.26 -5.14 116.55 127.78 3bhw n ASP 142 Ca 0.00 0.24 -0.02 0.00 0.71 0.00 0.00 54.79 55.73 3bhw n ASP 142 Cb 0.00 -0.83 0.19 0.00 -0.02 0.00 0.00 41.12 40.46 3bhw n ASP 142 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3bhw h SER 143 N -0.40 0.88 -0.14 -2.24 4.64 -2.05 -1.11 113.55 113.13 3bhw h SER 143 Ca -0.46 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.75 3bhw h SER 143 Cb 1.74 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 3bhw h SER 143 CO -0.09 0.74 -0.00 0.74 -0.87 0.00 0.00 176.83 177.35 3bhw h THR 144 N 0.98 1.25 -0.39 2.95 2.02 -2.03 -2.45 112.91 115.25 3bhw h THR 144 Ca 0.24 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.66 3bhw h THR 144 Cb 0.08 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.94 3bhw h THR 144 CO -0.03 0.25 -0.04 0.00 0.37 0.00 0.00 175.52 176.06 3bhw h ALA 145 N 0.76 0.31 -0.58 6.16 0.00 -1.85 0.19 119.26 124.26 3bhw h ALA 145 Ca 0.04 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3bhw h ALA 145 Cb 0.37 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3bhw h ALA 145 CO 0.01 -0.42 0.02 -0.91 0.00 0.00 0.00 179.25 177.95 3bhw h ASN 146 N 0.05 0.96 -0.27 0.00 2.35 -1.19 -1.04 115.58 116.44 3bhw h ASN 146 Ca 0.19 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 3bhw h ASN 146 Cb 0.28 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3bhw h ASN 146 CO -0.36 1.00 -0.34 0.11 -1.65 0.00 0.00 177.43 176.19 3bhw h LYS 147 N 0.91 0.80 -0.09 0.81 1.57 -1.14 -2.24 116.57 117.19 3bhw h LYS 147 Ca 0.17 -0.39 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3bhw h LYS 147 Cb 0.50 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3bhw h LYS 147 CO 0.02 1.02 -0.14 1.25 -0.57 0.00 0.00 179.45 181.03 3bhw h LEU 148 N 0.66 -0.44 -0.47 2.94 5.85 -0.13 -0.59 115.31 123.15 3bhw h LEU 148 Ca 0.07 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3bhw h LEU 148 Cb 0.89 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3bhw h LEU 148 CO 0.08 -0.19 0.19 0.00 -0.34 0.00 0.00 178.44 178.18 3bhw h ALA 149 N 0.83 0.60 -0.83 1.25 0.00 -1.16 -1.56 119.26 118.41 3bhw h ALA 149 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3bhw h ALA 149 Cb 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3bhw h ALA 149 CO -0.21 0.21 0.52 -0.44 0.00 0.00 0.00 179.25 179.33 3bhw h ASP 150 N 0.61 0.83 -0.16 0.00 5.19 -1.26 -1.52 116.42 120.10 3bhw h ASP 150 Ca 0.16 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.51 3bhw h ASP 150 Cb 0.19 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 3bhw h ASP 150 CO -0.01 0.55 -0.15 0.00 -3.12 0.00 0.00 179.24 176.51 3bhw h VAL 152 N 0.04 0.94 -0.10 0.00 2.07 -1.10 -1.52 116.25 116.58 3bhw h VAL 152 Ca 0.03 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3bhw h VAL 152 Cb 0.67 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3bhw h VAL 152 CO 0.04 0.08 -0.41 1.88 0.02 0.00 0.00 177.57 179.18 3bhw h TYR 153 N 0.44 0.25 -0.58 1.57 -1.99 -1.17 -2.31 116.97 113.17 3bhw h TYR 153 Ca 0.20 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 3bhw h TYR 153 Cb 0.13 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3bhw h TYR 153 CO -0.11 0.60 0.23 -0.09 -0.00 0.00 0.00 178.16 178.78 3bhw h ARG 154 N 0.18 0.87 -0.72 4.88 2.43 -0.66 0.01 114.38 121.37 3bhw h ARG 154 Ca 0.02 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3bhw h ARG 154 Cb 0.81 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.15 3bhw h ARG 154 CO 0.06 0.75 0.39 0.82 -1.51 0.00 0.00 179.97 180.49 3bhw h ILE 155 N 0.80 0.92 -0.11 1.20 2.04 -1.04 0.22 117.51 121.54 3bhw h ILE 155 Ca 0.19 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.69 3bhw h ILE 155 Cb 0.21 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3bhw h ILE 155 CO -0.01 0.13 -0.50 -0.07 0.00 0.00 0.00 178.15 177.69 3bhw h LEU 156 N 0.69 0.30 -0.28 1.44 3.38 -0.95 -1.42 115.31 118.47 3bhw h LEU 156 Ca 0.34 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3bhw h LEU 156 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3bhw h LEU 156 CO -0.23 0.75 -0.05 0.58 0.09 0.00 0.00 178.44 179.59 3bhw h VAL 157 N 0.22 1.28 -0.48 1.22 2.07 -0.22 -0.28 116.25 120.05 3bhw h VAL 157 Ca 0.01 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.50 3bhw h VAL 157 Cb 0.96 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3bhw h VAL 157 CO 0.08 0.33 0.30 -0.33 0.02 0.00 0.00 177.57 177.97 3bhw h GLU 158 N 0.29 0.59 0.00 1.57 5.08 -0.16 -1.96 114.58 119.98 3bhw h GLU 158 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3bhw h GLU 158 Cb 0.51 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3bhw h GLU 158 CO 0.02 0.39 -0.03 -0.24 -1.00 0.00 0.00 179.01 178.16 3bhw h VAL 159 N 0.61 0.06 0.00 3.13 3.04 -1.32 -3.47 116.25 118.30 3bhw h VAL 159 Ca 0.19 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3bhw h VAL 159 Cb -0.02 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3bhw h VAL 159 CO -0.07 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.13 3bhw n GLY 160 N 0.67 0.68 0.27 3.17 0.00 -0.74 -4.99 105.19 104.26 3bhw n GLY 160 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3bhw n GLY 160 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bhw h TYR 161 N 0.00 0.13 -1.60 1.61 -1.99 -1.30 -3.41 116.97 110.40 3bhw h TYR 161 Ca 0.00 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.12 3bhw h TYR 161 Cb 0.00 -0.04 -0.13 0.00 2.00 0.00 0.00 36.73 38.56 3bhw h TYR 161 CO 0.00 0.09 -0.57 0.42 -0.00 0.00 0.00 178.16 178.10 3bhw s ILE 162 N -5.14 1.53 0.00 -2.88 1.01 -1.06 -0.87 121.20 113.79 3bhw s ILE 162 Ca -0.06 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.59 3bhw s ILE 162 Cb 0.17 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.95 3bhw s ILE 162 CO 0.69 0.00 0.00 0.35 0.00 0.00 0.00 174.94 175.98 3bhw n THR 167 N -0.99 0.00 -2.72 2.92 -2.24 -1.26 -4.38 114.28 105.61 3bhw n THR 167 Ca -0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 3bhw n THR 167 Cb 0.67 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 3bhw n THR 167 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3bhw n TYR 168 N -0.64 -1.87 -2.02 4.78 4.01 -1.26 -4.72 117.16 115.43 3bhw n TYR 168 Ca 0.00 0.08 -0.41 0.00 -0.16 0.00 0.00 57.90 57.41 3bhw n TYR 168 Cb 0.00 -1.25 -0.02 0.00 -0.31 0.00 0.00 39.34 37.76 3bhw n TYR 168 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3bhw s ARG 169 N -5.25 4.28 0.05 -0.72 0.52 -1.26 -0.33 118.95 116.23 3bhw s ARG 169 Ca 0.09 2.31 -0.04 0.00 -0.52 0.00 0.00 55.73 57.57 3bhw s ARG 169 Cb -0.05 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3bhw s ARG 169 CO 0.12 -0.33 0.27 -0.51 0.02 0.00 0.00 175.30 174.86 3bhw s LEU 170 N -1.31 4.34 0.07 2.53 1.43 -0.11 -4.39 118.68 121.24 3bhw s LEU 170 Ca 0.53 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 3bhw s LEU 170 Cb -0.42 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 3bhw s LEU 170 CO 0.51 0.19 -0.14 -0.75 0.23 0.00 0.00 176.35 176.39 3bhw s LYS 171 N -2.16 0.81 0.49 1.70 2.20 -0.05 -4.63 119.74 118.10 3bhw s LYS 171 Ca 0.32 -0.95 -0.21 0.00 -0.36 0.00 0.00 55.97 54.77 3bhw s LYS 171 Cb -0.13 -0.80 -0.08 0.00 -1.51 0.00 0.00 37.83 35.31 3bhw s LYS 171 CO 0.21 0.18 1.07 -1.54 -0.36 0.00 0.00 175.35 174.91 3bhw s SER 172 N -1.75 6.23 -0.04 1.43 1.04 -1.26 -4.49 113.70 114.85 3bhw s SER 172 Ca -0.02 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.44 3bhw s SER 172 Cb -0.10 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.48 3bhw s SER 172 CO 0.02 -0.87 -0.01 0.68 0.98 0.00 0.00 173.24 174.04 3bhw s VAL 173 N -1.86 0.33 -0.36 5.02 -7.23 -1.26 -4.95 120.40 110.10 3bhw s VAL 173 Ca 0.67 0.03 -0.26 0.00 -1.81 0.00 0.00 61.98 60.62 3bhw s VAL 173 Cb -0.20 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.33 3bhw s VAL 173 CO 0.24 0.20 0.91 -0.60 -0.31 0.00 0.00 175.10 175.54 3bhw s ARG 174 N 1.24 3.86 0.12 4.82 6.06 -1.26 -4.88 118.95 128.90 3bhw s ARG 174 Ca -0.06 0.58 -0.30 0.00 -2.50 0.00 0.00 55.73 53.45 3bhw s ARG 174 Cb -0.13 -3.79 -0.07 0.00 0.06 0.00 0.00 34.95 31.02 3bhw s ARG 174 CO -0.02 -0.92 1.14 0.42 -2.50 0.00 0.00 175.30 173.43 3bhw s ILE 175 N 3.41 3.98 0.41 4.11 -1.09 -1.26 -4.97 121.20 125.79 3bhw s ILE 175 Ca 0.37 1.55 -0.26 0.00 -2.23 0.00 0.00 60.65 60.09 3bhw s ILE 175 Cb -0.12 -3.99 -0.10 0.00 -1.58 0.00 0.00 42.46 36.67 3bhw s ILE 175 CO 0.18 0.20 1.30 -1.54 -1.23 0.00 0.00 174.94 173.85 3bhw n SER 176 N 3.13 2.73 0.07 3.58 3.41 -1.26 -4.79 113.62 120.49 3bhw n SER 176 Ca 0.06 1.13 0.07 0.00 -0.26 0.00 0.00 58.87 59.87 3bhw n SER 176 Cb 0.46 -1.52 0.52 0.00 -0.26 0.00 0.00 64.21 63.42 3bhw n SER 176 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bhw h GLY 177 N 2.22 0.36 1.02 5.00 0.00 -1.99 -0.93 103.07 108.76 3bhw h GLY 177 Ca -0.48 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 3bhw h GLY 177 CO 0.61 0.12 0.12 -2.09 0.00 0.00 0.00 176.54 175.29 3bhw h GLU 178 N 0.33 0.96 -0.16 4.80 4.81 -2.00 -0.49 114.58 122.83 3bhw h GLU 178 Ca 0.12 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 3bhw h GLU 178 Cb 0.09 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3bhw h GLU 178 CO -0.03 0.90 -0.22 0.28 -0.73 0.00 0.00 179.01 179.22 3bhw h VAL 179 N 0.87 1.35 -0.68 0.32 2.07 -1.66 -2.73 116.25 115.78 3bhw h VAL 179 Ca 0.18 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3bhw h VAL 179 Cb 0.39 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3bhw h VAL 179 CO 0.01 0.43 0.38 0.24 0.02 0.00 0.00 177.57 178.64 3bhw h MET 180 N 0.07 0.94 -0.43 1.57 2.86 -1.10 -1.49 114.93 117.35 3bhw h MET 180 Ca 0.02 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3bhw h MET 180 Cb 0.78 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3bhw h MET 180 CO 0.05 0.68 0.12 1.03 1.06 0.00 0.00 176.91 179.86 3bhw h SER 181 N 0.95 0.63 -0.48 1.22 0.87 -1.07 -0.94 113.55 114.73 3bhw h SER 181 Ca 0.24 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3bhw h SER 181 Cb 0.01 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 3bhw h SER 181 CO -0.04 0.68 0.26 0.22 -0.53 0.00 0.00 176.83 177.42 3bhw h TYR 182 N 0.55 0.48 -0.52 2.24 3.20 -1.10 -0.52 116.97 121.29 3bhw h TYR 182 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3bhw h TYR 182 Cb 0.28 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3bhw h TYR 182 CO 0.01 0.25 0.20 -0.07 -1.64 0.00 0.00 178.16 176.92 3bhw h LEU 183 N 0.51 0.72 0.04 2.82 3.38 -1.04 -1.27 115.31 120.47 3bhw h LEU 183 Ca 0.20 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3bhw h LEU 183 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3bhw h LEU 183 CO -0.12 0.70 -0.02 0.03 0.09 0.00 0.00 178.44 179.12 3bhw h ARG 184 N 0.70 -0.05 0.00 1.13 3.08 -1.05 0.06 114.38 118.25 3bhw h ARG 184 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3bhw h ARG 184 Cb 0.21 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3bhw h ARG 184 CO -0.01 0.13 -0.09 0.93 -1.07 0.00 0.00 179.97 179.86 3bhw h GLU 185 N -0.22 0.00 -0.65 0.04 5.08 -0.89 -0.61 114.58 117.34 3bhw h GLU 185 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bhw h GLU 185 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3bhw h GLU 185 CO 0.01 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 3bhw n ASN 186 N -3.76 4.30 -1.59 1.42 3.02 -0.50 -4.97 115.26 113.19 3bhw n ASN 186 Ca -0.02 -2.26 -0.14 0.00 -0.03 0.00 0.00 54.58 52.12 3bhw n ASN 186 Cb 0.19 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 3bhw n ASN 186 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bhw n ASN 187 N 1.22 -4.36 -3.62 6.41 3.02 -0.24 -4.86 115.26 112.84 3bhw n ASN 187 Ca 0.24 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 3bhw n ASN 187 Cb 0.76 -3.50 -0.01 0.00 -0.61 0.00 0.00 39.78 36.42 3bhw n ASN 187 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bhw n GLU 188 N -2.37 3.84 -0.22 3.52 -0.58 -0.05 -4.73 120.64 120.04 3bhw n GLU 188 Ca -0.17 -3.13 0.02 0.00 -0.42 0.00 0.00 57.16 53.46 3bhw n GLU 188 Cb 0.62 -2.86 0.12 0.00 -0.57 0.00 0.00 31.44 28.75 3bhw n GLU 188 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3bhw h GLN 189 N 5.28 0.11 -0.07 3.49 1.08 -1.89 -0.27 115.11 122.84 3bhw h GLN 189 Ca 0.61 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.76 3bhw h GLN 189 Cb 0.46 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3bhw h GLN 189 CO 1.65 0.07 -0.12 -0.92 -0.95 0.00 0.00 178.83 178.56 3bhw h TYR 190 N 0.11 0.26 -0.82 2.96 3.20 -1.99 -1.79 116.97 118.90 3bhw h TYR 190 Ca 0.35 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.17 3bhw h TYR 190 Cb 0.59 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 3bhw h TYR 190 CO -0.39 0.71 0.52 0.28 -1.64 0.00 0.00 178.16 177.65 3bhw h VAL 191 N -0.26 1.10 -0.25 1.81 2.07 -1.86 -2.48 116.25 116.38 3bhw h VAL 191 Ca 0.00 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3bhw h VAL 191 Cb 0.69 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3bhw h VAL 191 CO 0.03 0.18 -0.09 0.40 0.02 0.00 0.00 177.57 178.11 3bhw h ILE 192 N 1.00 0.69 -0.64 4.57 2.04 -0.87 0.19 117.51 124.50 3bhw h ILE 192 Ca 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 3bhw h ILE 192 Cb 0.05 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3bhw h ILE 192 CO -0.13 0.00 0.37 -0.09 0.00 0.00 0.00 178.15 178.30 3bhw h ARG 193 N -0.04 0.87 0.00 2.37 2.43 -1.05 -3.22 114.38 115.74 3bhw h ARG 193 Ca 0.13 -0.08 -0.27 0.00 -0.81 0.00 0.00 59.98 58.95 3bhw h ARG 193 Cb 0.23 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3bhw h ARG 193 CO -0.28 0.62 -1.55 0.00 -1.51 0.00 0.00 179.97 177.25 3bhw h ILE 195 N 0.00 1.29 -3.62 0.00 2.10 -0.65 -3.40 117.51 113.24 3bhw h ILE 195 Ca -0.22 -2.47 -0.64 0.00 1.08 0.00 0.00 64.86 62.61 3bhw h ILE 195 Cb 1.95 2.40 -0.39 0.00 -1.09 0.00 0.00 36.82 39.69 3bhw h ILE 195 CO 0.09 0.66 -0.75 -1.58 -1.08 0.00 0.00 178.15 175.48 3bhw s GLN 196 N -3.16 1.52 -0.04 2.19 2.00 -1.24 -4.93 119.66 116.00 3bhw s GLN 196 Ca 0.01 -1.46 0.06 0.00 -2.00 0.00 0.00 55.36 51.98 3bhw s GLN 196 Cb 0.10 -2.82 0.10 0.00 0.80 0.00 0.00 33.01 31.19 3bhw s GLN 196 CO 0.76 -0.81 0.98 1.33 -0.50 0.00 0.00 175.29 177.06 3bhw n VAL 197 N 4.47 1.05 -0.13 1.34 0.24 -1.26 -4.87 118.33 119.16 3bhw n VAL 197 Ca -0.04 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 3bhw n VAL 197 Cb 0.42 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 3bhw n VAL 197 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15