#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blx h VAL 8 N 0.01 1.31 -0.28 0.00 -1.51 -2.00 -1.17 116.25 112.62 1blx h VAL 8 Ca -0.28 -1.57 -0.11 0.00 -1.23 0.00 0.00 66.70 63.50 1blx h VAL 8 Cb 2.00 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 32.77 1blx h VAL 8 CO 0.09 0.48 -0.30 1.23 -1.23 0.00 0.00 177.57 177.84 1blx h GLY 9 N 1.13 0.62 0.99 5.19 0.00 -1.69 -0.51 103.07 108.80 1blx h GLY 9 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1blx h GLY 9 CO 0.07 0.50 0.27 -0.55 0.00 0.00 0.00 176.54 176.83 1blx h ASP 10 N 0.49 0.51 -0.40 0.19 3.32 -1.13 -1.01 116.42 118.39 1blx h ASP 10 Ca 0.06 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1blx h ASP 10 Cb 0.77 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1blx h ASP 10 CO 0.06 0.40 0.06 0.03 -1.72 0.00 0.00 179.24 178.07 1blx h ARG 11 N 0.57 0.66 -0.35 3.56 2.47 -0.73 -1.57 114.38 118.99 1blx h ARG 11 Ca 0.15 -0.18 -0.10 0.00 -1.26 0.00 0.00 59.98 58.60 1blx h ARG 11 Cb -0.03 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1blx h ARG 11 CO -0.03 0.71 -0.18 1.25 0.56 0.00 0.00 179.97 182.28 1blx h LEU 12 N 0.51 0.76 -0.41 3.04 6.46 -1.05 -1.71 115.31 122.91 1blx h LEU 12 Ca 0.12 -0.41 -0.17 0.00 -0.12 0.00 0.00 57.88 57.30 1blx h LEU 12 Cb 0.37 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1blx h LEU 12 CO 0.01 1.00 -0.80 0.77 -0.62 0.00 0.00 178.44 178.80 1blx h SER 13 N 0.52 0.07 -0.41 1.25 4.64 -1.24 -0.71 113.55 117.66 1blx h SER 13 Ca 0.08 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1blx h SER 13 Cb 0.72 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1blx h SER 13 CO 0.05 0.84 0.23 1.23 -0.87 0.00 0.00 176.83 178.31 1blx h GLY 14 N 2.18 0.62 0.94 -0.77 0.00 -1.17 -0.14 103.07 104.73 1blx h GLY 14 Ca -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1blx h GLY 14 CO 0.11 0.27 0.17 0.00 0.00 0.00 0.00 176.54 177.08 1blx h ALA 15 N 1.08 0.51 -0.71 3.60 0.00 -1.16 -1.48 119.26 121.11 1blx h ALA 15 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1blx h ALA 15 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1blx h ALA 15 CO -0.02 0.10 0.20 0.00 0.00 0.00 0.00 179.25 179.53 1blx h ALA 16 N 1.01 0.93 0.00 0.00 0.00 -0.89 0.49 119.26 120.80 1blx h ALA 16 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1blx h ALA 16 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1blx h ALA 16 CO -0.01 0.62 -0.28 0.00 0.00 0.00 0.00 179.25 179.58 1blx h ALA 17 N 1.10 1.02 -0.00 0.00 0.00 -0.80 -0.41 119.26 120.16 1blx h ALA 17 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1blx h ALA 17 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1blx h ALA 17 CO -0.00 0.35 -0.05 0.54 0.00 0.00 0.00 179.25 180.08 1blx n ARG 18 N -3.45 0.41 -1.69 0.00 1.74 -0.58 -4.07 116.66 109.03 1blx n ARG 18 Ca -0.00 -0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.88 1blx n ARG 18 Cb 0.46 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1blx n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1blx n GLY 19 N 1.33 0.88 3.55 -0.13 0.00 -0.70 -4.92 105.19 105.19 1blx n GLY 19 Ca 0.13 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1blx n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1blx s ASP 20 N -2.70 6.54 0.24 1.61 -1.08 0.10 -4.80 116.67 116.58 1blx s ASP 20 Ca 0.00 -1.58 0.06 0.00 -0.52 0.00 0.00 52.55 50.51 1blx s ASP 20 Cb 0.00 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 39.15 1blx s ASP 20 CO 0.00 -1.44 1.55 0.58 0.52 0.00 0.00 175.17 176.38 1blx h VAL 21 N 6.61 1.43 -0.73 1.11 2.07 -1.91 -1.48 116.25 123.34 1blx h VAL 21 Ca 0.21 -2.16 -0.06 0.00 0.82 0.00 0.00 66.70 65.52 1blx h VAL 21 Cb 1.00 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1blx h VAL 21 CO 1.40 0.63 0.22 1.56 0.02 0.00 0.00 177.57 181.40 1blx h GLN 22 N 0.10 1.14 -0.12 1.57 7.50 -1.97 -0.06 115.11 123.26 1blx h GLN 22 Ca -0.01 -0.24 -0.20 0.00 0.50 0.00 0.00 58.65 58.69 1blx h GLN 22 Cb 1.18 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.54 1blx h GLN 22 CO 0.10 0.97 -0.74 1.49 -1.50 0.00 0.00 178.83 179.14 1blx h GLU 23 N 1.09 0.59 -0.10 1.46 4.57 -1.83 0.54 114.58 120.90 1blx h GLU 23 Ca 0.24 -0.48 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1blx h GLU 23 Cb 0.31 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1blx h GLU 23 CO -0.01 1.10 -0.10 0.28 -1.18 0.00 0.00 179.01 179.10 1blx h VAL 24 N 0.40 0.71 -0.92 0.32 2.07 -1.24 0.52 116.25 118.11 1blx h VAL 24 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1blx h VAL 24 Cb 1.34 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1blx h VAL 24 CO 0.14 0.00 0.56 0.03 0.02 0.00 0.00 177.57 178.32 1blx h ARG 25 N -0.13 1.25 0.17 1.57 3.08 -0.82 -0.94 114.38 118.56 1blx h ARG 25 Ca 0.07 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1blx h ARG 25 Cb 0.23 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1blx h ARG 25 CO -0.17 0.87 -0.08 0.00 -1.07 0.00 0.00 179.97 179.51 1blx h ARG 26 N 1.27 -0.22 -0.81 0.04 2.47 -0.40 0.35 114.38 117.08 1blx h ARG 26 Ca 0.33 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.10 1blx h ARG 26 Cb -0.07 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.26 1blx h ARG 26 CO -0.06 -0.13 0.52 -0.07 0.56 0.00 0.00 179.97 180.79 1blx h LEU 27 N -0.26 0.85 0.07 3.04 3.38 -0.82 0.97 115.31 122.55 1blx h LEU 27 Ca -0.02 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1blx h LEU 27 Cb 0.20 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.78 1blx h LEU 27 CO 0.04 0.59 -0.70 -0.07 0.09 0.00 0.00 178.44 178.38 1blx h LEU 28 N 1.00 0.49 0.01 1.67 3.38 -0.91 -1.50 115.31 119.45 1blx h LEU 28 Ca 0.32 -0.86 -0.37 0.00 0.09 0.00 0.00 57.88 57.06 1blx h LEU 28 Cb 0.02 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1blx h LEU 28 CO -0.12 1.30 -2.33 1.41 0.09 0.00 0.00 178.44 178.80 1blx n HIS 29 N -4.18 0.18 0.03 1.13 8.25 0.12 -2.58 115.22 118.17 1blx n HIS 29 Ca -0.12 0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 1blx n HIS 29 Cb 0.75 -1.03 -0.14 0.00 1.12 0.00 0.00 29.99 30.69 1blx n HIS 29 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1blx h ARG 30 N 0.00 0.13 -0.01 -0.41 2.47 -0.89 -3.35 114.38 112.32 1blx h ARG 30 Ca -0.53 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 57.98 1blx h ARG 30 Cb 2.10 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 30.50 1blx h ARG 30 CO -0.00 0.91 -0.05 0.39 0.56 0.00 0.00 179.97 181.79 1blx n GLU 31 N -3.31 0.93 -3.84 0.04 -0.58 -0.74 -5.02 120.64 108.12 1blx n GLU 31 Ca -0.14 -1.11 -0.27 0.00 -0.42 0.00 0.00 57.16 55.22 1blx n GLU 31 Cb 1.03 -1.21 0.03 0.00 -0.57 0.00 0.00 31.44 30.71 1blx n GLU 31 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1blx n LEU 32 N 0.50 -2.75 -4.84 -4.62 4.32 -0.96 -4.93 117.00 103.73 1blx n LEU 32 Ca 0.07 -0.79 -0.32 0.00 -0.02 0.00 0.00 56.01 54.94 1blx n LEU 32 Cb 0.29 -2.59 -0.06 0.00 -1.62 0.00 0.00 43.42 39.44 1blx n LEU 32 CO 0.09 0.45 0.60 -0.69 -1.22 0.00 0.00 177.39 176.62 1blx s VAL 33 N -3.45 4.51 0.04 4.08 1.01 -0.60 -4.98 120.40 121.01 1blx s VAL 33 Ca 0.41 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1blx s VAL 33 Cb -0.21 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1blx s VAL 33 CO 0.82 -0.40 1.09 -2.28 0.00 0.00 0.00 175.10 174.33 1blx s HIS 34 N -2.27 3.56 -0.22 5.22 2.46 -1.26 -4.74 115.29 118.04 1blx s HIS 34 Ca 0.59 1.51 0.28 0.00 0.47 0.00 0.00 55.06 57.91 1blx s HIS 34 Cb -0.10 -3.27 1.16 0.00 -0.13 0.00 0.00 32.58 30.25 1blx s HIS 34 CO 0.20 -0.63 1.83 -1.00 -2.47 0.00 0.00 174.74 172.68 1blx h PRO 35 N 6.64 0.00 -0.64 2.88 0.13 -1.92 -2.31 132.00 136.78 1blx h PRO 35 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1blx h PRO 35 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1blx h PRO 35 CO 0.78 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.30 1blx n ASP 36 N -2.60 4.70 -4.77 1.44 8.00 -1.26 -4.43 116.55 117.63 1blx n ASP 36 Ca 0.01 -2.62 -0.41 0.00 0.71 0.00 0.00 54.79 52.49 1blx n ASP 36 Cb 0.26 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1blx n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1blx n ALA 37 N 0.73 2.29 -2.22 2.24 0.00 -0.87 -4.85 120.51 117.83 1blx n ALA 37 Ca 0.23 0.34 -0.39 0.00 0.00 0.00 0.00 53.44 53.62 1blx n ALA 37 Cb 0.95 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 1blx n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1blx s LEU 38 N -1.97 4.52 0.00 0.00 1.02 -1.26 -4.42 118.68 116.56 1blx s LEU 38 Ca 0.53 1.48 -0.11 0.00 0.02 0.00 0.00 54.13 56.06 1blx s LEU 38 Cb -0.48 -3.19 0.20 0.00 0.02 0.00 0.00 46.19 42.73 1blx s LEU 38 CO 0.64 0.13 1.22 -0.46 0.02 0.00 0.00 176.35 177.90 1blx n ASN 39 N 2.18 0.52 0.15 2.29 2.04 0.10 -4.07 115.26 118.47 1blx n ASN 39 Ca -0.05 -1.70 0.12 0.00 -0.44 0.00 0.00 54.58 52.51 1blx n ASN 39 Cb 0.50 -0.89 0.53 0.00 -2.53 0.00 0.00 39.78 37.38 1blx n ASN 39 CO 0.00 0.00 0.00 0.08 -0.44 0.00 0.00 177.26 176.90 1blx h ARG 40 N 0.00 0.00 -0.31 -3.83 0.11 -1.89 -0.43 114.38 108.02 1blx h ARG 40 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1blx h ARG 40 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1blx h ARG 40 CO 0.32 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.58 1blx n PHE 41 N -2.33 0.41 -0.98 4.08 3.72 -1.26 -4.92 117.46 116.18 1blx n PHE 41 Ca 0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1blx n PHE 41 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1blx n PHE 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1blx n GLY 42 N 1.19 0.43 3.47 1.37 0.00 -0.17 -5.06 105.19 106.42 1blx n GLY 42 Ca 0.15 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 1blx n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1blx s LYS 43 N -1.44 1.70 0.66 1.61 -0.14 -1.26 -4.81 119.74 116.07 1blx s LYS 43 Ca 0.00 -1.50 -0.04 0.00 -1.36 0.00 0.00 55.97 53.07 1blx s LYS 43 Cb 0.00 -1.92 0.06 0.00 -1.68 0.00 0.00 37.83 34.30 1blx s LYS 43 CO 0.00 0.39 0.94 0.95 -0.76 0.00 0.00 175.35 176.88 1blx s THR 44 N -1.84 2.38 0.28 2.17 -4.23 -1.26 -0.73 115.64 112.41 1blx s THR 44 Ca 0.24 -0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1blx s THR 44 Cb -0.08 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 70.94 1blx s THR 44 CO 0.12 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.00 1blx h ALA 45 N -0.40 1.18 0.00 3.99 0.00 -1.77 -2.46 119.26 119.79 1blx h ALA 45 Ca -0.43 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1blx h ALA 45 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1blx h ALA 45 CO 0.55 0.54 -0.37 1.25 0.00 0.00 0.00 179.25 181.22 1blx h LEU 46 N 0.69 0.00 -1.31 0.00 5.85 -1.95 -1.28 115.31 117.32 1blx h LEU 46 Ca 0.14 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1blx h LEU 46 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1blx h LEU 46 CO 0.01 0.37 -0.21 1.56 -0.34 0.00 0.00 178.44 179.83 1blx h GLN 47 N 0.00 0.20 -0.01 1.25 4.20 -1.83 -3.34 115.11 115.58 1blx h GLN 47 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1blx h GLN 47 Cb 0.66 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1blx h GLN 47 CO 0.05 0.41 -0.02 1.33 -0.67 0.00 0.00 178.83 179.93 1blx n VAL 48 N -4.21 0.00 -1.65 -0.54 0.24 -0.93 -4.90 118.33 106.34 1blx n VAL 48 Ca -0.01 -0.49 -0.37 0.00 -2.04 0.00 0.00 64.34 61.43 1blx n VAL 48 Cb 0.32 1.10 0.07 0.00 -1.47 0.00 0.00 33.84 33.86 1blx n VAL 48 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1blx n MET 49 N 0.14 0.99 -1.57 7.34 0.00 -0.53 -4.27 117.12 119.23 1blx n MET 49 Ca 0.03 0.40 -0.39 0.00 0.00 0.00 0.00 57.70 57.73 1blx n MET 49 Cb 0.12 -2.48 -0.03 0.00 0.00 0.00 0.00 33.22 30.83 1blx n MET 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1blx n MET 50 N -1.93 1.39 0.01 3.17 1.56 -0.25 -4.80 117.12 116.27 1blx n MET 50 Ca 0.15 0.21 0.09 0.00 -0.27 0.00 0.00 57.70 57.88 1blx n MET 50 Cb 0.48 -3.32 0.37 0.00 2.15 0.00 0.00 33.22 32.91 1blx n MET 50 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 1blx n PHE 51 N 14.10 0.04 -0.12 1.12 3.72 -1.26 -1.38 117.46 133.68 1blx n PHE 51 Ca 0.35 0.01 0.06 0.00 -0.05 0.00 0.00 57.45 57.83 1blx n PHE 51 Cb 0.49 -0.52 0.27 0.00 -0.94 0.00 0.00 39.48 38.78 1blx n PHE 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1blx n GLY 52 N 0.29 2.17 3.02 1.37 0.00 -1.26 -4.57 105.19 106.20 1blx n GLY 52 Ca 0.04 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1blx n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1blx s SER 53 N -0.73 5.11 0.56 1.61 0.15 -0.48 -4.94 113.70 114.99 1blx s SER 53 Ca 0.38 -3.37 0.28 0.00 0.70 0.00 0.00 55.95 53.95 1blx s SER 53 Cb 0.26 -1.77 1.48 0.00 -1.71 0.00 0.00 66.02 64.28 1blx s SER 53 CO 0.16 -0.22 1.96 1.55 1.20 0.00 0.00 173.24 177.89 1blx h PRO 54 N 6.24 0.00 -0.64 5.44 0.13 -1.84 -2.27 132.00 139.05 1blx h PRO 54 Ca 0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 1blx h PRO 54 Cb 0.85 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 1blx h PRO 54 CO 0.74 0.00 0.21 0.00 -0.23 0.00 0.00 178.00 178.72 1blx h ALA 55 N 1.60 0.84 0.24 -0.56 0.00 -1.96 0.49 119.26 119.91 1blx h ALA 55 Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1blx h ALA 55 Cb 1.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1blx h ALA 55 CO -0.00 0.50 -0.21 0.28 0.00 0.00 0.00 179.25 179.82 1blx h VAL 56 N 0.92 0.55 -0.49 0.00 2.07 -1.78 -2.20 116.25 115.32 1blx h VAL 56 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 1blx h VAL 56 Cb 0.28 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1blx h VAL 56 CO -0.01 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.59 1blx h ALA 57 N 0.23 0.48 -0.83 1.67 0.00 -1.35 -2.24 119.26 117.21 1blx h ALA 57 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1blx h ALA 57 Cb 0.43 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1blx h ALA 57 CO -0.03 -0.38 0.52 1.25 0.00 0.00 0.00 179.25 180.61 1blx h LEU 58 N 0.13 0.82 -0.39 0.00 6.46 -0.73 -0.02 115.31 121.58 1blx h LEU 58 Ca 0.25 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1blx h LEU 58 Cb 0.37 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1blx h LEU 58 CO -0.40 0.54 0.00 -0.33 -0.62 0.00 0.00 178.44 177.63 1blx h GLU 59 N 0.96 0.69 -0.08 1.25 4.39 -1.08 0.43 114.58 121.14 1blx h GLU 59 Ca 0.35 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1blx h GLU 59 Cb 0.12 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1blx h GLU 59 CO -0.16 0.78 0.02 -0.07 -1.16 0.00 0.00 179.01 178.43 1blx h LEU 60 N 0.51 0.11 -0.55 1.33 -0.00 -1.18 -2.61 115.31 112.94 1blx h LEU 60 Ca 0.11 -0.21 -0.13 0.00 -0.00 0.00 0.00 57.88 57.66 1blx h LEU 60 Cb 0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1blx h LEU 60 CO 0.02 0.29 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.48 1blx h LEU 61 N -0.07 0.98 -2.28 1.67 3.38 -0.81 -1.80 115.31 116.38 1blx h LEU 61 Ca 0.03 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1blx h LEU 61 Cb 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1blx h LEU 61 CO -0.00 1.14 -0.02 0.11 0.09 0.00 0.00 178.44 179.76 1blx h LYS 62 N 0.83 0.00 -0.01 1.13 1.57 -0.91 -2.09 116.57 117.09 1blx h LYS 62 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1blx h LYS 62 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1blx h LYS 62 CO 0.06 0.02 -0.08 0.94 -0.57 0.00 0.00 179.45 179.82 1blx n GLN 63 N -3.99 1.38 0.00 3.15 -0.06 -0.99 -4.92 117.38 111.96 1blx n GLN 63 Ca -0.03 -0.80 0.00 0.00 -2.00 0.00 0.00 57.00 54.17 1blx n GLN 63 Cb 0.11 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.80 1blx n GLN 63 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1blx n GLY 64 N 1.23 1.20 3.73 1.69 0.00 -0.79 -4.75 105.19 107.50 1blx n GLY 64 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1blx n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1blx s ALA 65 N -2.00 2.29 -0.30 4.61 0.00 -0.70 -4.86 121.76 120.80 1blx s ALA 65 Ca 0.00 1.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.87 1blx s ALA 65 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1blx s ALA 65 CO 0.00 -1.71 0.89 -1.12 0.00 0.00 0.00 175.76 173.82 1blx s SER 66 N -1.50 6.77 0.41 0.00 0.01 -1.26 -4.75 113.70 113.37 1blx s SER 66 Ca 0.81 0.82 0.21 0.00 1.31 0.00 0.00 55.95 59.10 1blx s SER 66 Cb -0.36 -2.45 0.77 0.00 0.21 0.00 0.00 66.02 64.19 1blx s SER 66 CO 0.41 -0.69 1.77 1.55 0.41 0.00 0.00 173.24 176.69 1blx h PRO 67 N 8.07 0.00 -0.73 12.44 0.13 -1.91 -3.31 132.00 146.69 1blx h PRO 67 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1blx h PRO 67 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1blx h PRO 67 CO 0.93 0.30 0.09 0.09 -0.23 0.00 0.00 178.00 179.18 1blx n ASN 68 N -3.44 4.51 -4.65 1.44 3.02 -1.26 -4.66 115.26 110.22 1blx n ASN 68 Ca 0.00 -2.82 -0.40 0.00 -0.03 0.00 0.00 54.58 51.33 1blx n ASN 68 Cb 0.48 -0.67 0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1blx n ASN 68 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1blx n VAL 69 N 0.27 2.91 -4.18 2.41 0.24 -1.25 -5.02 118.33 113.72 1blx n VAL 69 Ca 0.26 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.92 1blx n VAL 69 Cb 1.07 -1.34 -0.11 0.00 -1.47 0.00 0.00 33.84 31.99 1blx n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1blx s GLN 70 N -2.34 0.85 0.00 7.34 -2.07 -1.26 -4.20 119.66 117.98 1blx s GLN 70 Ca 0.66 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 53.04 1blx s GLN 70 Cb -0.49 -0.52 0.00 0.00 -1.09 0.00 0.00 33.01 30.90 1blx s GLN 70 CO 0.54 0.08 0.00 -0.40 -1.32 0.00 0.00 175.29 174.19 1blx n ASP 71 N 0.54 0.00 0.00 12.60 5.68 -0.36 -4.91 116.55 130.10 1blx n ASP 71 Ca -0.16 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 1blx n ASP 71 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1blx n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1blx n ALA 72 N -3.00 -0.06 0.21 2.12 0.00 -1.26 -2.83 120.51 115.68 1blx n ALA 72 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1blx n ALA 72 Cb 0.00 0.32 0.44 0.00 0.00 0.00 0.00 19.45 20.21 1blx n ALA 72 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1blx h SER 73 N 0.00 0.00 0.00 0.00 0.02 -1.99 -3.45 113.55 108.13 1blx h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1blx h SER 73 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1blx h SER 73 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1blx n GLY 74 N -1.27 0.81 3.68 -3.77 0.00 -1.13 -0.07 105.19 103.45 1blx n GLY 74 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1blx n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1blx s THR 75 N -2.00 4.21 0.36 2.61 2.01 -1.26 -4.10 115.64 117.47 1blx s THR 75 Ca 0.00 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.61 1blx s THR 75 Cb 0.00 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1blx s THR 75 CO 0.00 -0.02 0.15 -0.44 -0.69 0.00 0.00 174.62 173.63 1blx s SER 76 N 1.57 4.63 0.29 3.53 0.01 -1.26 -1.22 113.70 121.25 1blx s SER 76 Ca 0.56 -0.83 0.05 0.00 1.31 0.00 0.00 55.95 57.04 1blx s SER 76 Cb -0.25 -0.67 0.73 0.00 0.21 0.00 0.00 66.02 66.04 1blx s SER 76 CO 0.22 -0.35 1.74 -0.65 0.41 0.00 0.00 173.24 174.60 1blx h PRO 77 N 1.51 0.56 0.00 12.44 0.11 -1.83 -1.29 132.00 143.50 1blx h PRO 77 Ca -0.43 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1blx h PRO 77 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1blx h PRO 77 CO 0.64 0.37 -0.30 -0.39 -0.21 0.00 0.00 178.00 178.11 1blx h VAL 78 N 0.58 1.14 0.42 3.15 -1.51 -1.92 -0.18 116.25 117.93 1blx h VAL 78 Ca 0.57 -1.05 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 1blx h VAL 78 Cb 0.98 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1blx h VAL 78 CO -0.45 0.29 -0.20 0.45 -1.23 0.00 0.00 177.57 176.43 1blx h HIS 79 N 0.00 -0.52 -0.80 5.19 3.86 -1.63 -2.09 115.15 119.16 1blx h HIS 79 Ca -0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1blx h HIS 79 Cb 0.56 0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 1blx h HIS 79 CO 0.00 -0.32 0.53 -0.44 0.86 0.00 0.00 177.93 178.55 1blx h ASP 80 N -0.57 0.92 -0.49 2.45 3.32 -1.16 -0.68 116.42 120.22 1blx h ASP 80 Ca -0.06 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1blx h ASP 80 Cb 0.44 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1blx h ASP 80 CO 0.09 0.67 0.14 0.00 -1.72 0.00 0.00 179.24 178.42 1blx h ALA 81 N 1.50 0.64 -0.35 3.45 0.00 -0.96 -0.99 119.26 122.55 1blx h ALA 81 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1blx h ALA 81 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1blx h ALA 81 CO -0.06 0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.52 1blx h ALA 82 N 1.00 0.47 -0.66 0.00 0.00 -1.14 -1.30 119.26 117.63 1blx h ALA 82 Ca 0.16 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1blx h ALA 82 Cb 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1blx h ALA 82 CO -0.00 0.20 0.39 -0.09 0.00 0.00 0.00 179.25 179.75 1blx h ARG 83 N 0.42 0.72 0.00 0.00 2.43 -1.10 -2.79 114.38 114.06 1blx h ARG 83 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1blx h ARG 83 Cb 0.41 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1blx h ARG 83 CO 0.01 0.48 -0.08 1.15 -1.51 0.00 0.00 179.97 180.02 1blx h THR 84 N 0.74 0.00 0.00 0.20 2.02 -1.16 -3.47 112.91 111.25 1blx h THR 84 Ca 0.28 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1blx h THR 84 Cb 0.10 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1blx h THR 84 CO -0.14 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.36 1blx n GLY 85 N 1.18 0.74 3.45 2.16 0.00 -0.53 -5.01 105.19 107.19 1blx n GLY 85 Ca 0.04 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1blx n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1blx s PHE 86 N -2.00 2.76 0.24 1.61 0.08 -0.97 -4.83 117.98 114.87 1blx s PHE 86 Ca 0.00 -0.73 0.10 0.00 0.12 0.00 0.00 56.93 56.42 1blx s PHE 86 Cb 0.00 -4.29 0.25 0.00 -0.57 0.00 0.00 43.02 38.41 1blx s PHE 86 CO 0.00 -1.61 1.55 1.25 -0.10 0.00 0.00 175.22 176.31 1blx h LEU 87 N 11.15 0.00 -0.38 -0.37 6.46 -1.94 -1.17 115.31 129.07 1blx h LEU 87 Ca -0.20 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 1blx h LEU 87 Cb 1.06 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1blx h LEU 87 CO 1.17 0.69 0.11 -2.24 -0.62 0.00 0.00 178.44 177.55 1blx h ASP 88 N 0.00 0.56 -0.20 1.25 2.03 -1.95 0.16 116.42 118.28 1blx h ASP 88 Ca -0.01 -0.22 -0.09 0.00 -0.73 0.00 0.00 57.03 55.99 1blx h ASP 88 Cb 1.22 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1blx h ASP 88 CO 0.09 0.63 -0.22 0.74 -1.03 0.00 0.00 179.24 179.45 1blx h THR 89 N 0.46 1.33 -0.73 1.15 2.02 -1.76 -2.86 112.91 112.53 1blx h THR 89 Ca 0.12 -1.40 0.16 0.00 0.77 0.00 0.00 66.41 66.06 1blx h THR 89 Cb 0.28 1.77 -0.11 0.00 -1.74 0.00 0.00 68.15 68.35 1blx h THR 89 CO -0.00 0.43 0.15 0.25 0.37 0.00 0.00 175.52 176.71 1blx h LEU 90 N 0.18 -0.05 -1.13 2.58 5.85 -1.06 -1.75 115.31 119.93 1blx h LEU 90 Ca 0.03 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1blx h LEU 90 Cb 0.78 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1blx h LEU 90 CO 0.05 -0.06 0.59 0.11 -0.34 0.00 0.00 178.44 178.79 1blx h LYS 91 N 0.24 1.06 -0.42 1.25 1.57 -0.84 -0.30 116.57 119.13 1blx h LYS 91 Ca 0.41 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1blx h LYS 91 Cb 0.70 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1blx h LYS 91 CO -0.53 0.70 0.21 0.28 -0.57 0.00 0.00 179.45 179.54 1blx h VAL 92 N 1.09 1.17 -0.27 0.50 2.07 -1.21 1.00 116.25 120.60 1blx h VAL 92 Ca 0.37 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1blx h VAL 92 Cb 0.09 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1blx h VAL 92 CO -0.12 0.18 0.14 -0.07 0.02 0.00 0.00 177.57 177.72 1blx h LEU 93 N 0.53 0.34 -0.60 2.57 3.38 -0.81 -2.09 115.31 118.64 1blx h LEU 93 Ca 0.14 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1blx h LEU 93 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1blx h LEU 93 CO -0.02 0.34 -0.53 -0.37 0.09 0.00 0.00 178.44 177.95 1blx h VAL 94 N 0.32 1.10 -0.03 1.22 -1.51 -0.73 -1.33 116.25 115.28 1blx h VAL 94 Ca 0.09 -2.03 -0.02 0.00 -1.23 0.00 0.00 66.70 63.52 1blx h VAL 94 Cb 0.08 2.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1blx h VAL 94 CO -0.01 0.52 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.43 1blx h GLU 95 N 0.00 0.05 -0.64 5.19 5.08 -0.56 -2.00 114.58 121.70 1blx h GLU 95 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1blx h GLU 95 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1blx h GLU 95 CO 0.07 0.14 0.00 0.72 -1.00 0.00 0.00 179.01 178.94 1blx n HIS 96 N -4.41 1.26 -0.04 4.33 8.25 -0.73 -4.92 115.22 118.95 1blx n HIS 96 Ca -0.02 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 1blx n HIS 96 Cb 0.18 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1blx n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1blx n GLY 97 N 0.77 0.98 3.77 -1.41 0.00 -0.75 -4.82 105.19 103.73 1blx n GLY 97 Ca 0.20 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1blx n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1blx s ALA 98 N -2.00 3.26 -0.40 4.61 0.00 -0.58 -4.80 121.76 121.85 1blx s ALA 98 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 1blx s ALA 98 Cb 0.00 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1blx s ALA 98 CO 0.00 -0.01 1.10 0.34 0.00 0.00 0.00 175.76 177.19 1blx s ASP 99 N -1.31 6.78 0.00 0.00 2.15 -1.26 -4.63 116.67 118.40 1blx s ASP 99 Ca 0.49 0.76 0.29 0.00 0.43 0.00 0.00 52.55 54.52 1blx s ASP 99 Cb -0.25 -2.54 1.57 0.00 -0.30 0.00 0.00 42.92 41.40 1blx s ASP 99 CO 0.31 -1.06 2.05 1.33 -0.17 0.00 0.00 175.17 177.63 1blx n VAL 100 N 6.34 0.04 -1.03 1.11 0.24 -1.26 -3.08 118.33 120.69 1blx n VAL 100 Ca 0.12 0.01 0.04 0.00 -2.04 0.00 0.00 64.34 62.47 1blx n VAL 100 Cb 0.48 -0.53 0.30 0.00 -1.47 0.00 0.00 33.84 32.61 1blx n VAL 100 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1blx n ASN 101 N -1.20 4.34 -4.76 -1.34 4.13 -1.26 -4.30 115.26 110.86 1blx n ASN 101 Ca 0.16 -3.12 -0.38 0.00 1.68 0.00 0.00 54.58 52.93 1blx n ASN 101 Cb 0.19 -0.62 0.01 0.00 -1.54 0.00 0.00 39.78 37.82 1blx n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1blx s ALA 102 N -2.90 2.99 -0.14 5.41 0.00 -1.18 -4.96 121.76 120.99 1blx s ALA 102 Ca 0.48 1.16 -0.03 0.00 0.00 0.00 0.00 51.96 53.56 1blx s ALA 102 Cb 0.38 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1blx s ALA 102 CO 0.10 -0.96 -0.05 -0.51 0.00 0.00 0.00 175.76 174.35 1blx s LEU 103 N -3.05 3.21 0.00 0.00 1.43 -1.26 -4.19 118.68 114.82 1blx s LEU 103 Ca 0.65 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1blx s LEU 103 Cb -0.35 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1blx s LEU 103 CO 0.43 0.20 0.00 -0.90 0.23 0.00 0.00 176.35 176.31 1blx n ASP 104 N 3.35 0.00 0.13 2.29 5.68 -0.81 -4.64 116.55 122.54 1blx n ASP 104 Ca -0.18 -0.58 0.05 0.00 -0.50 0.00 0.00 54.79 53.58 1blx n ASP 104 Cb 0.53 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.54 1blx n ASP 104 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1blx h SER 105 N 0.00 0.00 0.00 -1.12 4.64 -0.78 -2.53 113.55 113.76 1blx h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1blx h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1blx h SER 105 CO 0.00 0.36 0.00 0.35 -0.87 0.00 0.00 176.83 176.67 1blx n THR 106 N -3.09 0.00 -1.66 2.95 -2.24 -1.26 -4.84 114.28 104.14 1blx n THR 106 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1blx n THR 106 Cb 0.69 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1blx n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1blx n GLY 107 N 0.45 0.69 3.83 3.38 0.00 -0.95 -1.08 105.19 111.51 1blx n GLY 107 Ca 0.08 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1blx n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1blx s SER 108 N -2.75 6.91 0.69 1.61 0.01 -1.26 -4.12 113.70 114.79 1blx s SER 108 Ca 0.00 1.12 -0.11 0.00 1.31 0.00 0.00 55.95 58.27 1blx s SER 108 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1blx s SER 108 CO 0.00 0.22 1.07 -0.76 0.41 0.00 0.00 173.24 174.18 1blx s LEU 109 N -1.42 3.01 0.31 2.44 1.43 -1.26 -1.93 118.68 121.26 1blx s LEU 109 Ca 0.31 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 1blx s LEU 109 Cb -0.17 -4.23 0.68 0.00 0.03 0.00 0.00 46.19 42.50 1blx s LEU 109 CO 0.18 -1.32 1.84 -0.65 0.23 0.00 0.00 176.35 176.63 1blx h PRO 110 N -0.64 0.83 0.00 1.29 0.11 -1.75 -2.14 132.00 129.71 1blx h PRO 110 Ca -0.45 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1blx h PRO 110 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1blx h PRO 110 CO 0.61 0.55 -0.29 0.97 -0.21 0.00 0.00 178.00 179.63 1blx h ILE 111 N 0.85 1.06 -0.94 4.15 2.10 -1.93 -1.79 117.51 121.00 1blx h ILE 111 Ca 0.49 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 65.40 1blx h ILE 111 Cb 0.63 1.58 -0.05 0.00 -1.09 0.00 0.00 36.82 37.89 1blx h ILE 111 CO -0.26 0.28 0.60 0.45 -1.08 0.00 0.00 178.15 178.14 1blx h HIS 112 N 0.00 1.21 -0.33 2.19 3.86 -1.76 -1.24 115.15 119.09 1blx h HIS 112 Ca -0.00 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 1blx h HIS 112 Cb 0.56 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1blx h HIS 112 CO 0.00 0.78 -0.43 -0.07 0.86 0.00 0.00 177.93 179.07 1blx h LEU 113 N 1.29 0.90 -0.93 2.43 4.07 -1.27 -1.58 115.31 120.22 1blx h LEU 113 Ca 0.34 -0.43 -0.10 0.00 0.08 0.00 0.00 57.88 57.77 1blx h LEU 113 Cb -0.11 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.37 1blx h LEU 113 CO -0.07 1.20 -0.33 0.00 -1.08 0.00 0.00 178.44 178.16 1blx h ALA 114 N 0.83 1.09 -0.19 1.53 0.00 -1.03 -2.43 119.26 119.06 1blx h ALA 114 Ca 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1blx h ALA 114 Cb 1.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1blx h ALA 114 CO 0.10 0.57 -0.14 0.82 0.00 0.00 0.00 179.25 180.60 1blx h ILE 115 N 0.33 1.32 -0.84 0.00 2.04 -1.01 0.59 117.51 119.94 1blx h ILE 115 Ca 0.04 -1.25 0.13 0.00 1.00 0.00 0.00 64.86 64.78 1blx h ILE 115 Cb 0.75 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1blx h ILE 115 CO 0.06 0.38 0.55 -0.09 0.00 0.00 0.00 178.15 179.04 1blx h ARG 116 N 0.11 0.65 -0.00 2.37 2.43 -1.13 -0.60 114.38 118.22 1blx h ARG 116 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1blx h ARG 116 Cb 0.65 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1blx h ARG 116 CO 0.04 0.43 -0.59 0.39 -1.51 0.00 0.00 179.97 178.73 1blx n GLU 117 N -4.53 0.09 -0.11 0.20 -0.58 -0.93 -4.97 120.64 109.81 1blx n GLU 117 Ca 0.16 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1blx n GLU 117 Cb 0.43 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1blx n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1blx n GLY 118 N 1.49 0.94 3.43 0.62 0.00 0.07 -5.00 105.19 106.73 1blx n GLY 118 Ca 0.06 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1blx n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1blx s HIS 119 N -2.00 2.92 -0.15 1.61 3.76 -0.42 -4.86 115.29 116.15 1blx s HIS 119 Ca 0.00 -0.96 0.16 0.00 -0.15 0.00 0.00 55.06 54.11 1blx s HIS 119 Cb 0.00 -4.21 0.01 0.00 1.11 0.00 0.00 32.58 29.49 1blx s HIS 119 CO 0.00 -1.49 1.25 0.66 -0.85 0.00 0.00 174.74 174.31 1blx h SER 120 N 9.19 0.00 0.41 1.40 4.64 -1.95 -1.43 113.55 125.81 1blx h SER 120 Ca -0.14 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 1blx h SER 120 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1blx h SER 120 CO 1.13 0.50 -0.56 0.77 -0.87 0.00 0.00 176.83 177.79 1blx h SER 121 N 0.00 0.18 -0.26 4.97 4.64 -1.97 -1.23 113.55 119.88 1blx h SER 121 Ca -0.05 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 1blx h SER 121 Cb 1.42 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1blx h SER 121 CO 0.06 0.70 -0.06 0.58 -0.87 0.00 0.00 176.83 177.23 1blx h VAL 122 N 0.12 1.28 -0.40 0.95 2.07 -1.83 -2.42 116.25 116.03 1blx h VAL 122 Ca -0.00 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1blx h VAL 122 Cb 1.02 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1blx h VAL 122 CO 0.08 0.34 0.19 1.62 0.02 0.00 0.00 177.57 179.82 1blx h VAL 123 N 0.26 1.14 -0.45 2.57 3.04 -0.75 -1.78 116.25 120.28 1blx h VAL 123 Ca 0.07 -0.41 -0.12 0.00 -1.01 0.00 0.00 66.70 65.23 1blx h VAL 123 Cb 0.54 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1blx h VAL 123 CO 0.03 0.16 -0.19 0.28 -1.01 0.00 0.00 177.57 176.84 1blx h SER 124 N 0.56 0.90 -0.55 3.17 0.02 -1.16 -1.09 113.55 115.40 1blx h SER 124 Ca 0.14 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1blx h SER 124 Cb 0.07 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1blx h SER 124 CO -0.02 1.07 0.20 0.15 -1.14 0.00 0.00 176.83 177.10 1blx h PHE 125 N 0.78 0.86 0.00 3.45 3.57 -1.15 -3.22 116.94 121.22 1blx h PHE 125 Ca 0.11 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1blx h PHE 125 Cb 0.74 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1blx h PHE 125 CO 0.04 0.71 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.25 1blx h LEU 126 N 0.76 0.00 -0.55 0.59 3.38 -1.10 -3.40 115.31 114.99 1blx h LEU 126 Ca 0.18 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1blx h LEU 126 Cb 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1blx h LEU 126 CO -0.01 0.33 0.23 0.00 0.09 0.00 0.00 178.44 179.07 1blx h ALA 127 N 1.67 0.70 0.00 1.53 0.00 -1.21 -1.23 119.26 120.73 1blx h ALA 127 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1blx h ALA 127 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1blx h ALA 127 CO 0.04 -0.16 0.00 -0.35 0.00 0.00 0.00 179.25 178.78 1blx n PRO 128 N -4.96 0.06 0.00 0.00 -0.04 -1.26 -2.69 135.00 126.10 1blx n PRO 128 Ca 0.07 0.11 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1blx n PRO 128 Cb 0.21 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 1blx n PRO 128 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1blx n GLU 129 N -1.46 4.05 -3.20 0.54 -0.58 -0.54 -5.04 120.64 114.41 1blx n GLU 129 Ca 0.06 -0.16 -0.28 0.00 -0.42 0.00 0.00 57.16 56.36 1blx n GLU 129 Cb 0.25 -0.86 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 1blx n GLU 129 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1blx s SER 130 N -1.42 6.43 -0.84 1.62 0.01 -0.75 -4.84 113.70 113.91 1blx s SER 130 Ca 0.03 0.78 -0.24 0.00 1.31 0.00 0.00 55.95 57.83 1blx s SER 130 Cb 0.05 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 64.16 1blx s SER 130 CO 0.23 -0.27 1.29 -0.62 0.41 0.00 0.00 173.24 174.28 1blx s ASP 131 N -3.33 6.31 0.00 2.44 2.15 -1.26 -4.86 116.67 118.12 1blx s ASP 131 Ca 0.45 -0.98 0.28 0.00 0.43 0.00 0.00 52.55 52.73 1blx s ASP 131 Cb -0.10 -2.54 1.63 0.00 -0.30 0.00 0.00 42.92 41.61 1blx s ASP 131 CO 0.32 -1.62 2.01 0.18 -0.17 0.00 0.00 175.17 175.89 1blx n LEU 132 N 8.81 0.00 -0.18 -1.34 4.77 -1.26 -2.10 117.00 125.69 1blx n LEU 132 Ca 0.14 0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1blx n LEU 132 Cb 0.49 -0.05 0.21 0.00 -2.33 0.00 0.00 43.42 41.74 1blx n LEU 132 CO 0.67 -0.01 0.44 1.41 -1.33 0.00 0.00 177.39 178.57 1blx n HIS 133 N -1.05 0.00 -2.31 -1.77 8.25 -1.26 -4.38 115.22 112.70 1blx n HIS 133 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 1blx n HIS 133 Cb 0.12 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1blx n HIS 133 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1blx s HIS 134 N -2.72 3.36 -0.20 4.41 5.65 -0.89 -4.85 115.29 120.04 1blx s HIS 134 Ca 0.17 1.18 -0.12 0.00 0.25 0.00 0.00 55.06 56.54 1blx s HIS 134 Cb 0.18 -3.53 -0.05 0.00 -1.18 0.00 0.00 32.58 28.00 1blx s HIS 134 CO 0.63 -1.72 0.23 1.03 -0.65 0.00 0.00 174.74 174.26 1blx s ARG 135 N 0.90 4.18 0.44 2.88 0.52 -1.26 -4.10 118.95 122.51 1blx s ARG 135 Ca 0.60 -0.07 -0.07 0.00 -0.52 0.00 0.00 55.73 55.67 1blx s ARG 135 Cb -0.33 -3.47 0.11 0.00 0.52 0.00 0.00 34.95 31.78 1blx s ARG 135 CO 0.31 0.17 0.41 -0.40 0.02 0.00 0.00 175.30 175.81 1blx n ASP 136 N 3.87 -1.25 0.00 0.23 5.68 -0.21 -4.75 116.55 120.12 1blx n ASP 136 Ca -0.13 -0.79 0.09 0.00 -0.50 0.00 0.00 54.79 53.46 1blx n ASP 136 Cb 0.52 -0.37 0.41 0.00 -1.14 0.00 0.00 41.12 40.54 1blx n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1blx n ALA 137 N -3.64 1.87 0.59 2.12 0.00 -0.24 -0.13 120.51 121.08 1blx n ALA 137 Ca -0.08 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1blx n ALA 137 Cb 0.21 -1.30 0.27 0.00 0.00 0.00 0.00 19.45 18.63 1blx n ALA 137 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1blx n SER 138 N -1.48 2.63 0.00 0.00 3.41 -1.26 -4.95 113.62 111.96 1blx n SER 138 Ca 0.05 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1blx n SER 138 Cb 0.21 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1blx n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1blx n GLY 139 N 1.31 0.50 3.36 5.00 0.00 0.82 -5.04 105.19 111.14 1blx n GLY 139 Ca 0.17 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1blx n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1blx s LEU 140 N 0.00 2.65 0.83 0.99 1.02 -1.25 -4.80 118.68 118.12 1blx s LEU 140 Ca 0.00 -0.35 -0.12 0.00 0.02 0.00 0.00 54.13 53.68 1blx s LEU 140 Cb 0.00 -1.59 0.09 0.00 0.02 0.00 0.00 46.19 44.71 1blx s LEU 140 CO 0.00 0.17 1.14 0.42 0.02 0.00 0.00 176.35 178.11 1blx s THR 141 N 0.30 2.33 0.19 5.49 -4.23 -1.26 -1.04 115.64 117.43 1blx s THR 141 Ca -0.11 0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 60.34 1blx s THR 141 Cb -0.16 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 70.86 1blx s THR 141 CO 0.06 -0.14 1.61 -0.65 -0.54 0.00 0.00 174.62 174.96 1blx h PRO 142 N -1.15 -0.08 -0.71 3.99 0.11 -1.77 -1.01 132.00 131.38 1blx h PRO 142 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1blx h PRO 142 Cb 1.31 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1blx h PRO 142 CO 0.64 -0.05 0.45 1.25 -0.21 0.00 0.00 178.00 180.07 1blx h LEU 143 N -0.08 0.83 -0.84 2.35 6.46 -1.94 -1.83 115.31 120.26 1blx h LEU 143 Ca 0.26 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1blx h LEU 143 Cb 0.49 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 1blx h LEU 143 CO -0.62 0.63 0.45 -0.33 -0.62 0.00 0.00 178.44 177.95 1blx h GLU 144 N 0.96 1.17 -0.23 1.25 5.08 -1.86 -1.49 114.58 119.47 1blx h GLU 144 Ca 0.26 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1blx h GLU 144 Cb -0.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1blx h GLU 144 CO -0.05 0.86 0.13 1.25 -1.00 0.00 0.00 179.01 180.20 1blx h LEU 145 N 1.17 0.28 -1.39 1.33 6.46 -0.97 -1.01 115.31 121.18 1blx h LEU 145 Ca 0.29 -0.07 0.07 0.00 -0.12 0.00 0.00 57.88 58.05 1blx h LEU 145 Cb 0.04 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.85 1blx h LEU 145 CO -0.05 0.27 0.47 0.00 -0.62 0.00 0.00 178.44 178.52 1blx h ALA 146 N 1.02 1.72 -0.08 1.25 0.00 -0.77 -2.41 119.26 119.99 1blx h ALA 146 Ca 0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1blx h ALA 146 Cb 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1blx h ALA 146 CO -0.01 0.16 -0.74 -0.09 0.00 0.00 0.00 179.25 178.57 1blx h ARG 147 N 0.74 0.64 -0.16 0.00 2.43 -1.14 -0.80 114.38 116.09 1blx h ARG 147 Ca 0.31 -0.58 0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1blx h ARG 147 Cb 0.28 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1blx h ARG 147 CO -0.10 1.20 0.14 0.37 -1.51 0.00 0.00 179.97 180.06 1blx h GLN 148 N 0.29 0.00 0.00 0.20 4.15 -0.72 -0.26 115.11 118.78 1blx h GLN 148 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1blx h GLN 148 Cb 1.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1blx h GLN 148 CO 0.15 0.00 -0.54 0.54 -1.93 0.00 0.00 178.83 177.05 1blx n ARG 149 N -4.08 0.11 -0.91 1.69 1.74 -0.96 -4.92 116.66 109.33 1blx n ARG 149 Ca 0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1blx n ARG 149 Cb 0.27 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1blx n ARG 149 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1blx n GLY 150 N 1.44 0.45 3.51 -0.13 0.00 -0.11 -4.94 105.19 105.41 1blx n GLY 150 Ca 0.05 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1blx n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1blx n ALA 151 N 0.73 3.75 -0.31 4.61 0.00 -0.38 -4.83 120.51 124.07 1blx n ALA 151 Ca 0.00 -4.00 -0.05 0.00 0.00 0.00 0.00 53.44 49.39 1blx n ALA 151 Cb 0.00 -3.40 0.08 0.00 0.00 0.00 0.00 19.45 16.12 1blx n ALA 151 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1blx h GLN 152 N 7.34 1.23 -0.61 0.00 5.75 -1.92 -1.50 115.11 125.39 1blx h GLN 152 Ca 0.41 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1blx h GLN 152 Cb 0.86 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 1blx h GLN 152 CO 1.40 0.95 0.41 -2.95 -2.65 0.00 0.00 178.83 175.99 1blx h ASN 153 N 1.21 0.70 -0.39 -0.69 -0.00 -1.98 -2.17 115.58 112.26 1blx h ASN 153 Ca 0.29 -0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.54 1blx h ASN 153 Cb 0.14 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.27 1blx h ASN 153 CO -0.03 0.50 0.11 -0.07 -0.00 0.00 0.00 177.43 177.94 1blx h LEU 154 N 0.83 0.57 -0.57 6.14 3.38 -1.86 -2.76 115.31 121.05 1blx h LEU 154 Ca 0.23 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1blx h LEU 154 Cb -0.09 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.40 1blx h LEU 154 CO -0.05 0.64 -0.18 0.24 0.09 0.00 0.00 178.44 179.18 1blx h MET 155 N 0.48 -0.04 -0.98 1.13 2.86 -1.07 -1.91 114.93 115.39 1blx h MET 155 Ca 0.12 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1blx h MET 155 Cb 0.28 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1blx h MET 155 CO -0.00 -0.03 0.65 -0.44 1.06 0.00 0.00 176.91 178.14 1blx h ASP 156 N -0.05 1.11 -0.01 1.22 3.32 -1.28 -0.15 116.42 120.58 1blx h ASP 156 Ca 0.27 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1blx h ASP 156 Cb 0.46 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1blx h ASP 156 CO -0.61 0.79 0.01 0.40 -1.72 0.00 0.00 179.24 178.11 1blx h ILE 157 N 1.30 1.07 -0.34 0.35 2.04 -1.17 -2.83 117.51 117.93 1blx h ILE 157 Ca 0.37 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1blx h ILE 157 Cb -0.11 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1blx h ILE 157 CO -0.09 0.06 0.08 -0.07 0.00 0.00 0.00 178.15 178.13 1blx h LEU 158 N -0.07 0.52 -0.69 1.44 3.38 -0.79 -3.29 115.31 115.81 1blx h LEU 158 Ca 0.01 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1blx h LEU 158 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1blx h LEU 158 CO -0.00 0.61 -0.15 -0.61 0.09 0.00 0.00 178.44 178.38 1blx h GLN 159 N 0.39 0.86 -0.80 1.13 4.15 -1.09 0.68 115.11 120.44 1blx h GLN 159 Ca 0.11 -0.32 0.22 0.00 0.77 0.00 0.00 58.65 59.43 1blx h GLN 159 Cb 0.30 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 1blx h GLN 159 CO 0.00 0.95 0.56 0.78 -1.93 0.00 0.00 178.83 179.19 1blx h GLY 160 N 0.96 0.16 -0.26 2.39 0.00 -1.57 0.47 103.07 105.22 1blx h GLY 160 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1blx h GLY 160 CO 0.05 0.00 -0.01 1.42 0.00 0.00 0.00 176.54 177.99 1blx n HIS 161 N -4.34 0.00 0.19 5.60 8.25 0.22 -4.05 115.22 121.09 1blx n HIS 161 Ca 0.16 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.64 1blx n HIS 161 Cb 0.82 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1blx n HIS 161 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1blx n MET 162 N -0.00 1.89 -2.91 -0.41 2.00 0.11 -4.78 117.12 113.01 1blx n MET 162 Ca 0.19 -0.48 -0.32 0.00 0.00 0.00 0.00 57.70 57.09 1blx n MET 162 Cb 0.33 -0.94 -0.03 0.00 0.00 0.00 0.00 33.22 32.58 1blx n MET 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1blx n MET 163 N -0.25 3.83 0.35 0.03 3.85 -0.91 -4.87 117.12 119.14 1blx n MET 163 Ca 0.02 -4.78 -0.17 0.00 -1.00 0.00 0.00 57.70 51.76 1blx n MET 163 Cb 0.10 -2.32 -0.09 0.00 -1.05 0.00 0.00 33.22 29.86 1blx n MET 163 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1blx h ILE 164 N 2.82 0.38 0.00 3.17 1.08 -1.87 -3.49 117.51 119.60 1blx h ILE 164 Ca 0.25 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 1blx h ILE 164 Cb 0.47 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1blx h ILE 164 CO 0.94 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 175.76