#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm s THR 2 N 0.00 -0.00 -0.16 0.00 2.01 -1.26 -1.53 115.64 114.70 1rqm s THR 2 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1rqm s THR 2 Cb 0.00 -0.68 0.08 0.00 0.01 0.00 0.00 72.50 71.91 1rqm s THR 2 CO 0.00 0.00 0.33 -0.32 -0.69 0.00 0.00 174.62 173.94 1rqm s MET 3 N 0.33 0.23 -0.77 4.92 -2.45 0.04 -4.88 119.30 116.72 1rqm s MET 3 Ca -0.01 0.84 -0.25 0.00 -1.25 0.00 0.00 55.69 55.02 1rqm s MET 3 Cb -0.04 0.06 -0.07 0.00 1.25 0.00 0.00 34.83 36.04 1rqm s MET 3 CO -0.00 -0.30 2.13 0.99 1.05 0.00 0.00 175.02 178.89 1rqm s THR 4 N 2.50 3.25 0.52 10.11 2.01 -1.26 -4.30 115.64 128.47 1rqm s THR 4 Ca 0.01 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 1rqm s THR 4 Cb -0.12 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1rqm s THR 4 CO -0.11 -0.55 0.94 0.18 -0.69 0.00 0.00 174.62 174.39 1rqm n LEU 5 N 15.41 2.89 0.00 4.42 4.77 -1.26 -4.89 117.00 138.34 1rqm n LEU 5 Ca 0.38 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1rqm n LEU 5 Cb 0.48 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1rqm n LEU 5 CO 0.61 -1.81 0.00 0.41 -1.33 0.00 0.00 177.39 175.27 1rqm n THR 6 N -1.16 0.00 0.00 -5.08 -1.04 -1.26 -4.71 114.28 101.03 1rqm n THR 6 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1rqm n THR 6 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1rqm n THR 6 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1rqm n ASP 7 N -0.77 0.00 0.20 8.00 2.03 -1.26 -3.59 116.55 121.16 1rqm n ASP 7 Ca 0.00 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.46 1rqm n ASP 7 Cb 0.00 0.00 0.78 0.00 -0.72 0.00 0.00 41.12 41.18 1rqm n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rqm h ALA 8 N 1.56 1.91 0.00 -1.67 0.00 -1.97 0.12 119.26 119.21 1rqm h ALA 8 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rqm h ALA 8 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rqm h ALA 8 CO 0.00 -0.22 -0.11 -0.97 0.00 0.00 0.00 179.25 177.95 1rqm h ASN 9 N 0.00 0.00 0.00 0.00 -0.73 -1.91 -0.72 115.58 112.22 1rqm h ASN 9 Ca 0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1rqm h ASN 9 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1rqm h ASN 9 CO -0.00 0.11 0.00 0.33 -0.37 0.00 0.00 177.43 177.50 1rqm n PHE 10 N -3.20 0.00 0.00 0.67 -0.00 0.41 -0.99 117.46 114.34 1rqm n PHE 10 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1rqm n PHE 10 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.89 1rqm n PHE 10 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1rqm n GLN 11 N -0.91 0.00 -0.22 -4.13 1.13 -0.78 -4.73 117.38 107.73 1rqm n GLN 11 Ca 0.04 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.25 1rqm n GLN 11 Cb 0.02 -0.33 0.45 0.00 0.11 0.00 0.00 30.24 30.49 1rqm n GLN 11 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1rqm h GLN 12 N 0.00 0.51 0.04 -1.09 4.15 -1.04 -2.26 115.11 115.42 1rqm h GLN 12 Ca 0.00 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 1rqm h GLN 12 Cb 0.64 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.23 1rqm h GLN 12 CO 0.00 0.34 -0.50 0.00 -1.93 0.00 0.00 178.83 176.74 1rqm h ALA 13 N 1.62 0.01 0.00 3.38 0.00 -1.32 -3.34 119.26 119.61 1rqm h ALA 13 Ca 0.42 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1rqm h ALA 13 Cb 0.86 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1rqm h ALA 13 CO -0.17 0.25 -0.14 0.82 0.00 0.00 0.00 179.25 180.01 1rqm h ILE 14 N -0.38 0.46 -0.99 0.00 1.08 -1.60 -3.35 117.51 112.72 1rqm h ILE 14 Ca -0.07 -0.71 0.25 0.00 -0.39 0.00 0.00 64.86 63.94 1rqm h ILE 14 Cb 1.28 1.49 -0.08 0.00 -3.07 0.00 0.00 36.82 36.45 1rqm h ILE 14 CO 0.10 0.13 0.66 0.06 -0.69 0.00 0.00 178.15 178.41 1rqm h GLN 15 N 0.00 0.35 -0.98 2.37 3.07 -1.59 -0.25 115.11 118.07 1rqm h GLN 15 Ca -0.00 -0.02 0.18 0.00 0.09 0.00 0.00 58.65 58.90 1rqm h GLN 15 Cb 0.48 -0.08 -0.26 0.00 0.08 0.00 0.00 27.48 27.71 1rqm h GLN 15 CO 0.02 0.23 0.34 0.20 0.09 0.00 0.00 178.83 179.71 1rqm s GLY 16 N -3.89 -0.02 0.00 0.06 0.00 -1.26 -4.47 107.32 97.74 1rqm s GLY 16 Ca -0.08 3.21 0.00 0.00 0.00 0.00 0.00 44.72 47.85 1rqm s GLY 16 CO 0.79 3.10 0.00 1.34 0.00 0.00 0.00 173.10 178.33 1rqm n ASP 17 N 4.53 0.00 0.00 1.64 -0.08 -1.26 -4.99 116.55 116.39 1rqm n ASP 17 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1rqm n ASP 17 Cb 0.54 0.35 0.00 0.00 2.34 0.00 0.00 41.12 44.35 1rqm n ASP 17 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rqm n GLY 18 N -0.89 0.03 3.56 0.27 0.00 -1.26 -5.04 105.19 101.86 1rqm n GLY 18 Ca 0.00 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 1rqm n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rqm s PRO 19 N -2.00 2.15 0.45 1.61 0.04 -1.26 -4.23 135.00 131.76 1rqm s PRO 19 Ca 0.00 -0.03 -0.23 0.00 0.04 0.00 0.00 61.00 60.78 1rqm s PRO 19 Cb 0.00 -4.96 -0.08 0.00 0.04 0.00 0.00 34.50 29.50 1rqm s PRO 19 CO 0.00 -3.87 1.15 0.08 0.04 0.00 0.00 177.00 174.40 1rqm s VAL 20 N 12.11 3.19 -0.10 -0.36 1.01 0.65 -0.50 120.40 136.40 1rqm s VAL 20 Ca 0.79 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 1rqm s VAL 20 Cb -0.09 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1rqm s VAL 20 CO 0.03 -0.01 0.20 -0.22 0.00 0.00 0.00 175.10 175.11 1rqm s LEU 21 N -2.95 0.10 -0.05 3.92 1.98 0.75 -0.05 118.68 122.38 1rqm s LEU 21 Ca 0.62 0.42 0.02 0.00 -2.89 0.00 0.00 54.13 52.31 1rqm s LEU 21 Cb -0.28 0.47 -0.03 0.00 0.66 0.00 0.00 46.19 47.02 1rqm s LEU 21 CO 0.34 -0.21 -0.09 0.54 -1.89 0.00 0.00 176.35 175.04 1rqm s VAL 22 N 1.94 3.53 -0.49 1.68 0.11 0.10 -0.46 120.40 126.80 1rqm s VAL 22 Ca -0.02 -0.60 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 1rqm s VAL 22 Cb -0.12 -2.45 0.08 0.00 -1.53 0.00 0.00 36.38 32.37 1rqm s VAL 22 CO -0.07 0.55 0.46 -0.62 -3.33 0.00 0.00 175.10 172.09 1rqm s ASP 23 N -0.92 6.17 -0.50 3.54 -1.08 0.43 -3.18 116.67 121.13 1rqm s ASP 23 Ca 0.13 -1.35 -0.25 0.00 -0.52 0.00 0.00 52.55 50.56 1rqm s ASP 23 Cb -0.11 -2.21 0.03 0.00 -1.46 0.00 0.00 42.92 39.17 1rqm s ASP 23 CO 0.02 -0.74 0.95 -0.36 0.52 0.00 0.00 175.17 175.57 1rqm s PHE 24 N 1.82 2.86 0.11 -5.34 0.08 0.24 -1.18 117.98 116.56 1rqm s PHE 24 Ca 0.06 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.37 1rqm s PHE 24 Cb -0.24 -4.05 -0.00 0.00 -0.57 0.00 0.00 43.02 38.16 1rqm s PHE 24 CO 0.07 -1.22 0.04 -2.67 -0.10 0.00 0.00 175.22 171.34 1rqm n TRP 25 N 7.36 0.03 -3.68 0.36 4.27 -0.91 -1.65 117.44 123.22 1rqm n TRP 25 Ca 0.05 -0.68 -0.09 0.00 -3.89 0.00 0.00 57.50 52.89 1rqm n TRP 25 Cb 0.48 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.41 1rqm n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rqm s ALA 26 N -2.29 -1.40 -0.39 -1.67 0.00 -1.26 -0.62 121.76 114.13 1rqm s ALA 26 Ca 0.05 0.05 0.21 0.00 0.00 0.00 0.00 51.96 52.28 1rqm s ALA 26 Cb 0.00 0.84 1.01 0.00 0.00 0.00 0.00 23.12 24.97 1rqm s ALA 26 CO 0.04 -0.93 1.64 0.00 0.00 0.00 0.00 175.76 176.51 1rqm n ALA 27 N -0.42 1.31 -0.03 0.00 0.00 -1.26 -3.24 120.51 116.87 1rqm n ALA 27 Ca -0.09 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1rqm n ALA 27 Cb 0.61 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 1rqm n ALA 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1rqm n TRP 28 N -2.18 0.00 -2.27 0.00 2.14 -1.26 -4.95 117.44 108.91 1rqm n TRP 28 Ca 0.00 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.22 1rqm n TRP 28 Cb 0.12 -0.41 -0.04 0.00 -0.81 0.00 0.00 31.31 30.16 1rqm n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1rqm n GLY 30 N 6.43 -0.63 0.26 0.00 0.00 -1.26 -0.46 105.19 109.53 1rqm n GLY 30 Ca 0.29 0.21 -0.05 0.00 0.00 0.00 0.00 46.02 46.47 1rqm n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rqm h PRO 31 N 0.00 0.67 -0.57 1.61 0.13 -1.96 -2.82 132.00 129.06 1rqm h PRO 31 Ca 0.02 -0.24 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1rqm h PRO 31 Cb 0.06 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1rqm h PRO 31 CO -0.13 0.81 0.17 0.00 -0.23 0.00 0.00 178.00 178.63 1rqm h ARG 33 N 0.83 0.00 0.00 0.00 1.12 -0.89 0.21 114.38 115.65 1rqm h ARG 33 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 1rqm h ARG 33 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 1rqm h ARG 33 CO -0.01 0.00 -1.34 -1.33 -3.11 0.00 0.00 179.97 174.18 1rqm n MET 34 N -3.12 0.52 -0.04 0.20 2.81 -0.70 -4.46 117.12 112.32 1rqm n MET 34 Ca -0.02 -0.08 -0.19 0.00 -1.81 0.00 0.00 57.70 55.60 1rqm n MET 34 Cb 0.13 -1.46 -0.13 0.00 -0.71 0.00 0.00 33.22 31.05 1rqm n MET 34 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1rqm n MET 35 N -1.77 0.72 -0.14 0.03 0.00 -0.47 -3.72 117.12 111.77 1rqm n MET 35 Ca 0.01 0.23 -0.03 0.00 -0.00 0.00 0.00 57.70 57.90 1rqm n MET 35 Cb 0.40 -1.66 0.04 0.00 0.00 0.00 0.00 33.22 32.01 1rqm n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rqm h ALA 36 N 0.13 0.44 -0.23 -5.12 0.00 -0.88 0.30 119.26 113.90 1rqm h ALA 36 Ca -0.46 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1rqm h ALA 36 Cb 2.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1rqm h ALA 36 CO 0.04 -0.37 -0.16 -1.00 0.00 0.00 0.00 179.25 177.75 1rqm h PRO 37 N 0.14 0.39 -0.78 0.00 0.13 -1.78 -1.66 132.00 128.43 1rqm h PRO 37 Ca 0.22 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1rqm h PRO 37 Cb 0.31 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1rqm h PRO 37 CO -0.35 0.55 0.34 0.28 -0.23 0.00 0.00 178.00 178.59 1rqm h VAL 38 N 0.36 1.25 0.00 1.56 2.07 -1.27 -1.99 116.25 118.24 1rqm h VAL 38 Ca 0.07 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1rqm h VAL 38 Cb 0.50 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1rqm h VAL 38 CO 0.03 0.31 -0.01 -0.07 0.02 0.00 0.00 177.57 177.86 1rqm h LEU 39 N 1.11 0.00 0.06 2.57 4.07 -0.00 -1.83 115.31 121.28 1rqm h LEU 39 Ca 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.22 1rqm h LEU 39 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1rqm h LEU 39 CO -0.03 0.01 -0.03 -0.08 -1.08 0.00 0.00 178.44 177.23 1rqm h GLU 40 N 0.00 -0.08 -0.54 1.13 4.57 -0.53 0.71 114.58 119.84 1rqm h GLU 40 Ca -0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1rqm h GLU 40 Cb 0.33 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1rqm h GLU 40 CO 0.00 0.41 0.19 1.49 -1.18 0.00 0.00 179.01 179.92 1rqm h GLU 41 N -0.62 0.83 0.01 1.92 4.81 -1.40 0.14 114.58 120.27 1rqm h GLU 41 Ca -0.01 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1rqm h GLU 41 Cb 0.53 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1rqm h GLU 41 CO 0.01 0.74 -0.42 0.35 -0.73 0.00 0.00 179.01 178.97 1rqm h PHE 42 N 0.74 -1.19 -0.04 0.92 3.57 -1.40 -1.68 116.94 117.87 1rqm h PHE 42 Ca 0.18 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1rqm h PHE 42 Cb 0.25 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1rqm h PHE 42 CO 0.01 -0.50 -0.15 0.00 -2.23 0.00 0.00 178.31 175.45 1rqm h ALA 43 N -0.05 -0.14 -0.79 2.41 0.00 -0.45 -2.69 119.26 117.55 1rqm h ALA 43 Ca 0.04 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1rqm h ALA 43 Cb 0.66 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1rqm h ALA 43 CO -0.31 -0.63 0.44 1.49 0.00 0.00 0.00 179.25 180.24 1rqm h GLU 44 N -0.22 0.72 0.00 0.00 4.81 -0.87 -0.66 114.58 118.36 1rqm h GLU 44 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rqm h GLU 44 Cb 0.31 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1rqm h GLU 44 CO -0.17 0.48 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 1rqm h ALA 45 N 1.44 1.00 -1.06 2.92 0.00 -0.95 -2.79 119.26 119.81 1rqm h ALA 45 Ca 0.38 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.92 1rqm h ALA 45 Cb 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.82 1rqm h ALA 45 CO -0.25 0.00 -0.93 -2.39 0.00 0.00 0.00 179.25 175.69 1rqm n HIS 46 N -2.40 -0.58 0.32 0.00 1.44 -0.38 -5.01 115.22 108.61 1rqm n HIS 46 Ca -0.02 -2.96 0.20 0.00 -2.01 0.00 0.00 57.72 52.94 1rqm n HIS 46 Cb 0.04 0.29 1.06 0.00 0.12 0.00 0.00 29.99 31.51 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rqm h ALA 47 N 2.87 1.09 0.00 1.59 0.00 -0.94 -3.17 119.26 120.69 1rqm h ALA 47 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rqm h ALA 47 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rqm h ALA 47 CO 0.35 0.01 0.00 -3.47 0.00 0.00 0.00 179.25 176.14 1rqm n ASP 48 N -3.22 0.20 0.11 0.00 2.03 -1.26 -3.77 116.55 110.64 1rqm n ASP 48 Ca -0.02 -0.82 0.03 0.00 0.52 0.00 0.00 54.79 54.50 1rqm n ASP 48 Cb 0.12 0.05 0.40 0.00 -0.72 0.00 0.00 41.12 40.98 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1rqm h LYS 49 N 0.00 0.26 -5.47 -0.67 3.64 -1.92 -3.33 116.57 109.08 1rqm h LYS 49 Ca 0.00 -0.05 -0.49 0.00 -1.27 0.00 0.00 60.65 58.84 1rqm h LYS 49 Cb 0.30 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 31.94 1rqm h LYS 49 CO 0.00 0.36 -0.67 0.14 -2.27 0.00 0.00 179.45 177.01 1rqm s VAL 50 N -4.82 1.59 -0.74 2.00 -7.23 -1.23 -4.64 120.40 105.34 1rqm s VAL 50 Ca -0.06 -2.11 -0.06 0.00 -1.81 0.00 0.00 61.98 57.94 1rqm s VAL 50 Cb 0.16 -2.47 0.19 0.00 0.56 0.00 0.00 36.38 34.82 1rqm s VAL 50 CO 0.73 -0.28 0.60 -0.89 -0.31 0.00 0.00 175.10 174.95 1rqm s THR 51 N -3.04 4.46 0.70 5.32 2.01 0.35 0.06 115.64 125.49 1rqm s THR 51 Ca 0.30 -2.93 -0.12 0.00 0.31 0.00 0.00 61.69 59.24 1rqm s THR 51 Cb 0.04 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1rqm s THR 51 CO 0.12 -0.96 1.08 -0.69 -0.69 0.00 0.00 174.62 173.48 1rqm s VAL 52 N -0.19 3.56 0.05 3.82 1.01 -0.58 -0.18 120.40 127.89 1rqm s VAL 52 Ca 0.19 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 1rqm s VAL 52 Cb -0.15 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1rqm s VAL 52 CO -0.06 -0.59 0.44 0.00 0.00 0.00 0.00 175.10 174.90 1rqm s ALA 53 N -2.75 -1.10 -0.02 5.51 0.00 0.39 -0.78 121.76 123.01 1rqm s ALA 53 Ca 0.62 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1rqm s ALA 53 Cb -0.17 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1rqm s ALA 53 CO 0.50 -0.48 0.03 0.15 0.00 0.00 0.00 175.76 175.96 1rqm s LYS 54 N -2.54 0.01 0.00 0.00 1.02 -1.26 -0.43 119.74 116.54 1rqm s LYS 54 Ca -0.05 0.19 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 1rqm s LYS 54 Cb -0.01 -0.32 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 1rqm s LYS 54 CO -0.03 -0.18 0.23 -0.48 -0.92 0.00 0.00 175.35 173.97 1rqm s LEU 55 N 1.18 1.18 0.02 3.17 0.05 -0.33 -4.77 118.68 119.19 1rqm s LEU 55 Ca -0.08 -0.09 -0.30 0.00 0.05 0.00 0.00 54.13 53.71 1rqm s LEU 55 Cb -0.13 1.01 -0.05 0.00 -2.05 0.00 0.00 46.19 44.97 1rqm s LEU 55 CO -0.03 -0.44 1.23 0.21 -0.55 0.00 0.00 176.35 176.77 1rqm s ASN 56 N -1.46 7.04 0.36 1.48 2.47 -1.26 -2.14 114.94 121.42 1rqm s ASN 56 Ca -0.13 1.98 0.05 0.00 0.42 0.00 0.00 52.86 55.19 1rqm s ASN 56 Cb -0.06 -2.57 0.67 0.00 -1.45 0.00 0.00 41.25 37.84 1rqm s ASN 56 CO 0.02 -0.54 1.91 1.62 -3.72 0.00 0.00 177.10 176.40 1rqm h VAL 57 N 4.69 1.18 -0.31 -5.21 3.04 -1.21 -2.68 116.25 115.75 1rqm h VAL 57 Ca -0.39 -0.68 -0.10 0.00 -1.01 0.00 0.00 66.70 64.51 1rqm h VAL 57 Cb 1.20 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1rqm h VAL 57 CO 0.84 0.24 -0.22 -0.78 -1.01 0.00 0.00 177.57 176.64 1rqm h ASP 58 N 0.47 0.72 -0.74 3.17 3.58 -1.92 -3.08 116.42 118.62 1rqm h ASP 58 Ca 0.11 -0.44 0.09 0.00 0.42 0.00 0.00 57.03 57.21 1rqm h ASP 58 Cb 0.27 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 1rqm h ASP 58 CO 0.00 1.01 0.49 -0.08 -2.88 0.00 0.00 179.24 177.78 1rqm h GLU 59 N 0.45 0.63 -3.25 0.28 4.81 -1.84 -3.35 114.58 112.30 1rqm h GLU 59 Ca 0.06 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.57 1rqm h GLU 59 Cb 0.77 -0.14 -0.37 0.00 0.63 0.00 0.00 28.75 29.63 1rqm h GLU 59 CO 0.06 0.42 -0.24 1.21 -0.73 0.00 0.00 179.01 179.73 1rqm s ASN 60 N -6.10 5.65 0.35 1.04 3.04 -1.04 -4.72 114.94 113.16 1rqm s ASN 60 Ca -0.09 -3.75 0.15 0.00 0.04 0.00 0.00 52.86 49.20 1rqm s ASN 60 Cb 0.20 -1.83 0.65 0.00 -1.54 0.00 0.00 41.25 38.73 1rqm s ASN 60 CO 0.77 -0.16 1.75 1.55 -3.04 0.00 0.00 177.10 177.98 1rqm h PRO 61 N 5.85 0.00 -6.16 0.43 0.13 -1.74 -3.40 132.00 127.11 1rqm h PRO 61 Ca 0.15 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.62 1rqm h PRO 61 Cb 0.80 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.93 1rqm h PRO 61 CO 0.81 0.43 1.14 -1.91 -0.23 0.00 0.00 178.00 178.25 1rqm n GLU 62 N -3.81 1.64 0.00 0.86 4.07 -1.26 -1.46 120.64 120.68 1rqm n GLU 62 Ca -0.01 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.66 1rqm n GLU 62 Cb 0.49 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 1rqm n GLU 62 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1rqm n THR 63 N 5.62 0.00 -0.02 6.31 -1.04 -1.26 -4.63 114.28 119.26 1rqm n THR 63 Ca 0.28 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.21 1rqm n THR 63 Cb 0.24 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.73 1rqm n THR 63 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1rqm h THR 64 N 0.00 0.50 0.00 12.58 2.02 -1.72 -0.34 112.91 125.95 1rqm h THR 64 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rqm h THR 64 Cb 0.00 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1rqm h THR 64 CO 0.00 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.65 1rqm n SER 65 N -5.34 0.00 -0.12 4.18 2.88 -0.54 -0.99 113.62 113.70 1rqm n SER 65 Ca -0.02 -0.17 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 1rqm n SER 65 Cb 0.25 -0.17 -0.12 0.00 -0.75 0.00 0.00 64.21 63.42 1rqm n SER 65 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1rqm n GLN 66 N -1.17 0.65 -0.18 -1.46 -0.06 -0.29 -4.40 117.38 110.47 1rqm n GLN 66 Ca 0.09 0.12 0.09 0.00 -2.00 0.00 0.00 57.00 55.30 1rqm n GLN 66 Cb 0.09 -1.50 0.26 0.00 -4.06 0.00 0.00 30.24 25.03 1rqm n GLN 66 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1rqm n PHE 67 N -3.14 0.48 -2.63 3.69 3.72 -0.33 -4.93 117.46 114.31 1rqm n PHE 67 Ca -0.42 -0.24 -0.14 0.00 -0.05 0.00 0.00 57.45 56.60 1rqm n PHE 67 Cb 0.99 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.55 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqm n GLY 68 N 1.24 -0.07 2.91 1.37 0.00 -0.92 -4.89 105.19 104.84 1rqm n GLY 68 Ca 0.16 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1rqm n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rqm n ILE 69 N -4.02 3.15 0.19 -0.61 2.08 -0.16 -4.26 119.36 115.73 1rqm n ILE 69 Ca -0.09 -2.83 0.11 0.00 0.56 0.00 0.00 62.75 60.51 1rqm n ILE 69 Cb 0.58 -2.52 -0.06 0.00 -0.75 0.00 0.00 39.64 36.89 1rqm n ILE 69 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1rqm n MET 70 N 6.57 0.54 -1.82 0.38 0.00 -1.26 -4.86 117.12 116.66 1rqm n MET 70 Ca 0.51 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.70 57.76 1rqm n MET 70 Cb 0.40 -1.65 -0.03 0.00 0.00 0.00 0.00 33.22 31.95 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1rqm s SER 71 N -4.64 6.49 0.05 6.12 0.15 -1.26 -5.03 113.70 115.58 1rqm s SER 71 Ca -0.02 2.70 -0.09 0.00 0.70 0.00 0.00 55.95 59.24 1rqm s SER 71 Cb 0.13 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1rqm s SER 71 CO 0.84 -0.92 0.18 0.27 1.20 0.00 0.00 173.24 174.81 1rqm s ILE 72 N 1.79 0.12 0.17 6.45 -4.36 -1.26 -4.23 121.20 119.88 1rqm s ILE 72 Ca 0.75 -0.99 -0.32 0.00 -0.26 0.00 0.00 60.65 59.83 1rqm s ILE 72 Cb -0.45 -1.02 -0.10 0.00 1.25 0.00 0.00 42.46 42.14 1rqm s ILE 72 CO 0.33 -0.55 1.56 -2.16 0.24 0.00 0.00 174.94 174.37 1rqm s PRO 73 N -2.90 4.22 0.10 0.37 0.04 -1.26 -4.86 135.00 130.71 1rqm s PRO 73 Ca -0.03 2.36 0.09 0.00 0.04 0.00 0.00 61.00 63.46 1rqm s PRO 73 Cb 0.00 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 1rqm s PRO 73 CO -0.06 -0.60 -0.22 0.99 0.04 0.00 0.00 177.00 177.15 1rqm s THR 74 N 1.12 1.84 -0.02 1.26 2.01 -0.66 -1.01 115.64 120.18 1rqm s THR 74 Ca 0.70 -1.55 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1rqm s THR 74 Cb -0.44 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.43 1rqm s THR 74 CO 0.31 0.01 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.99 1rqm s LEU 75 N -1.85 1.64 0.02 4.42 0.20 0.21 -0.59 118.68 122.73 1rqm s LEU 75 Ca 0.08 -0.11 0.04 0.00 0.69 0.00 0.00 54.13 54.83 1rqm s LEU 75 Cb -0.10 -0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 1rqm s LEU 75 CO 0.04 0.00 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.36 1rqm s ILE 76 N 0.42 0.92 -0.10 6.68 1.01 -1.19 -0.12 121.20 128.82 1rqm s ILE 76 Ca -0.05 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1rqm s ILE 76 Cb -0.09 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1rqm s ILE 76 CO -0.00 0.04 -0.04 -0.22 0.00 0.00 0.00 174.94 174.71 1rqm s LEU 77 N -0.85 3.29 0.26 2.97 0.20 -0.84 -0.73 118.68 122.98 1rqm s LEU 77 Ca 0.01 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.83 1rqm s LEU 77 Cb -0.07 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.89 1rqm s LEU 77 CO 0.01 0.30 0.08 -0.36 -0.29 0.00 0.00 176.35 176.09 1rqm s PHE 78 N -0.45 1.59 0.06 5.38 0.40 0.92 0.08 117.98 125.97 1rqm s PHE 78 Ca 0.07 -1.12 -0.18 0.00 -0.60 0.00 0.00 56.93 55.10 1rqm s PHE 78 Cb -0.12 -0.95 0.04 0.00 0.51 0.00 0.00 43.02 42.50 1rqm s PHE 78 CO 0.02 -0.26 0.42 -1.59 0.70 0.00 0.00 175.22 174.52 1rqm s LYS 79 N -4.00 0.97 -1.44 0.44 0.00 0.15 -0.26 119.74 115.60 1rqm s LYS 79 Ca 0.36 -0.42 -0.16 0.00 0.00 0.00 0.00 55.97 55.76 1rqm s LYS 79 Cb 0.08 0.43 0.15 0.00 0.00 0.00 0.00 37.83 38.49 1rqm s LYS 79 CO 0.13 -0.34 0.54 0.41 0.00 0.00 0.00 175.35 176.09 1rqm n GLY 80 N 0.34 -0.45 2.17 0.59 0.00 -0.16 -0.34 105.19 107.34 1rqm n GLY 80 Ca -0.18 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 1rqm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqm n GLY 81 N -1.10 0.68 2.83 -0.02 0.00 -0.86 -4.81 105.19 101.92 1rqm n GLY 81 Ca 0.06 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 1rqm n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rqm s GLU 82 N -2.00 0.03 1.03 1.61 2.12 0.54 -5.08 118.70 116.95 1rqm s GLU 82 Ca 0.00 0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.27 1rqm s GLU 82 Cb 0.00 -0.15 0.20 0.00 0.26 0.00 0.00 34.13 34.44 1rqm s GLU 82 CO 0.00 -0.07 1.10 -1.25 -0.54 0.00 0.00 175.26 174.50 1rqm s PRO 83 N 0.47 0.19 0.00 4.30 0.04 -1.26 -0.68 135.00 138.06 1rqm s PRO 83 Ca -0.04 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1rqm s PRO 83 Cb -0.06 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1rqm s PRO 83 CO -0.01 -2.87 0.04 0.28 0.04 0.00 0.00 177.00 174.48 1rqm n VAL 84 N -4.25 0.00 0.00 -0.36 0.31 0.11 -4.70 118.33 109.44 1rqm n VAL 84 Ca 0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1rqm n VAL 84 Cb 0.58 1.16 0.00 0.00 -0.91 0.00 0.00 33.84 34.67 1rqm n VAL 84 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1rqm n LYS 85 N -0.26 -0.30 -4.50 5.55 2.85 -1.24 -4.98 118.16 115.29 1rqm n LYS 85 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1rqm n LYS 85 Cb 0.04 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.28 1rqm n LYS 85 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1rqm s GLN 86 N -2.00 1.04 0.06 -1.58 0.74 -1.26 -1.99 119.66 114.67 1rqm s GLN 86 Ca 0.00 -0.63 0.09 0.00 0.05 0.00 0.00 55.36 54.86 1rqm s GLN 86 Cb 0.00 -1.04 -0.03 0.00 1.10 0.00 0.00 33.01 33.05 1rqm s GLN 86 CO 0.00 0.27 -0.24 -0.51 -0.55 0.00 0.00 175.29 174.26 1rqm s LEU 87 N -0.74 2.19 -0.07 3.68 2.01 0.84 -5.00 118.68 121.59 1rqm s LEU 87 Ca 0.04 -0.59 -0.05 0.00 0.01 0.00 0.00 54.13 53.54 1rqm s LEU 87 Cb -0.07 -1.16 0.03 0.00 0.01 0.00 0.00 46.19 45.01 1rqm s LEU 87 CO 0.00 0.21 0.18 0.27 1.01 0.00 0.00 176.35 178.02 1rqm s ILE 88 N -0.85 -0.02 0.00 -0.59 -0.00 -1.26 -0.62 121.20 117.86 1rqm s ILE 88 Ca 0.10 0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.84 1rqm s ILE 88 Cb -0.10 -0.27 0.00 0.00 -0.00 0.00 0.00 42.46 42.10 1rqm s ILE 88 CO 0.02 0.03 0.00 0.61 -0.00 0.00 0.00 174.94 175.61 1rqm n GLY 89 N 3.60 -0.52 2.80 6.27 0.00 -0.18 -4.75 105.19 112.41 1rqm n GLY 89 Ca -0.19 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1rqm n GLY 89 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rqm n TYR 90 N -0.41 3.03 -2.56 1.61 9.36 -1.26 -4.90 117.16 122.03 1rqm n TYR 90 Ca 0.00 -2.67 -0.42 0.00 3.32 0.00 0.00 57.90 58.13 1rqm n TYR 90 Cb 0.00 -2.33 -0.03 0.00 -0.63 0.00 0.00 39.34 36.35 1rqm n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1rqm s GLN 91 N 3.60 4.54 1.01 2.98 -1.52 -1.26 -5.05 119.66 123.95 1rqm s GLN 91 Ca 0.51 1.62 -0.12 0.00 -1.95 0.00 0.00 55.36 55.41 1rqm s GLN 91 Cb 0.14 -3.37 0.19 0.00 -0.22 0.00 0.00 33.01 29.76 1rqm s GLN 91 CO -0.04 -0.07 1.08 -1.25 -0.25 0.00 0.00 175.29 174.77 1rqm s PRO 92 N 0.61 0.36 0.20 2.91 0.04 -1.26 -4.62 135.00 133.24 1rqm s PRO 92 Ca 0.53 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 1rqm s PRO 92 Cb -0.26 -1.72 0.23 0.00 0.04 0.00 0.00 34.50 32.79 1rqm s PRO 92 CO 0.30 -2.82 1.76 0.87 0.04 0.00 0.00 177.00 177.16 1rqm h LYS 93 N -1.96 0.45 0.00 4.56 6.56 -1.97 0.66 116.57 124.86 1rqm h LYS 93 Ca -0.54 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.02 1rqm h LYS 93 Cb 1.32 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1rqm h LYS 93 CO 0.55 0.30 0.00 0.39 -2.06 0.00 0.00 179.45 178.62 1rqm n GLU 94 N -4.94 0.08 -0.11 3.15 4.71 -1.26 0.24 120.64 122.51 1rqm n GLU 94 Ca 0.07 0.38 -0.17 0.00 -0.01 0.00 0.00 57.16 57.43 1rqm n GLU 94 Cb 0.22 -1.68 -0.06 0.00 -1.01 0.00 0.00 31.44 28.91 1rqm n GLU 94 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1rqm n GLN 95 N -1.83 0.54 0.25 3.49 0.00 -0.48 -4.03 117.38 115.32 1rqm n GLN 95 Ca 0.02 0.29 -0.17 0.00 -0.00 0.00 0.00 57.00 57.14 1rqm n GLN 95 Cb 0.16 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.80 1rqm n GLN 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1rqm h LEU 96 N -1.00 -1.34 -2.10 1.69 6.46 -0.60 0.20 115.31 118.62 1rqm h LEU 96 Ca -0.27 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1rqm h LEU 96 Cb 1.18 0.45 -0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1rqm h LEU 96 CO -0.17 -0.61 -0.03 -0.08 -0.62 0.00 0.00 178.44 176.93 1rqm h GLU 97 N -0.91 0.00 -0.02 1.25 4.81 -0.44 0.91 114.58 120.18 1rqm h GLU 97 Ca -0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1rqm h GLU 97 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1rqm h GLU 97 CO -0.09 0.03 -0.16 0.00 -0.73 0.00 0.00 179.01 178.05 1rqm h ALA 98 N 1.97 0.05 -0.26 2.92 0.00 -1.48 -1.70 119.26 120.77 1rqm h ALA 98 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1rqm h ALA 98 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rqm h ALA 98 CO 0.00 0.01 0.17 0.37 0.00 0.00 0.00 179.25 179.81 1rqm h GLN 99 N -0.48 0.27 -0.06 0.00 5.75 0.28 -2.29 115.11 118.58 1rqm h GLN 99 Ca -0.01 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1rqm h GLN 99 Cb 0.86 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.35 1rqm h GLN 99 CO 0.03 0.18 0.00 -0.11 -2.65 0.00 0.00 178.83 176.28 1rqm n LEU 100 N -4.50 2.70 0.26 -2.39 7.94 0.23 -4.64 117.00 116.61 1rqm n LEU 100 Ca 0.01 -0.93 0.09 0.00 -1.11 0.00 0.00 56.01 54.07 1rqm n LEU 100 Cb 0.13 -0.02 0.67 0.00 0.53 0.00 0.00 43.42 44.73 1rqm n LEU 100 CO 0.35 0.47 1.07 0.00 -1.11 0.00 0.00 177.39 178.17 1rqm h ALA 101 N 4.61 1.94 0.00 1.96 0.00 -0.69 -0.44 119.26 126.64 1rqm h ALA 101 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 101 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1rqm h ALA 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 1rqm n ASP 102 N -4.45 0.37 0.00 0.00 5.75 -1.26 -0.07 116.55 116.89 1rqm n ASP 102 Ca -0.03 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 1rqm n ASP 102 Cb 0.09 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1rqm n ASP 102 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1rqm n VAL 103 N -1.95 0.36 0.39 2.12 0.31 -0.24 -4.62 118.33 114.70 1rqm n VAL 103 Ca 0.01 -0.58 0.04 0.00 -0.01 0.00 0.00 64.34 63.80 1rqm n VAL 103 Cb 0.13 0.93 -0.02 0.00 -0.91 0.00 0.00 33.84 33.97 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1rqm n LEU 104 N -0.18 0.88 0.00 7.52 7.99 -0.80 -4.96 117.00 127.45 1rqm n LEU 104 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 56.01 55.32 1rqm n LEU 104 Cb 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1rqm n LEU 104 CO 0.00 0.19 0.14 1.67 -1.51 0.00 0.00 177.39 177.88