#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 3.04 0.00 0.00 2.01 -0.73 -3.14 115.64 116.81 1rqm s THR 2 Ca 0.00 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1rqm s THR 2 Cb 0.00 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1rqm s THR 2 CO 0.00 0.49 0.00 0.80 -0.69 0.00 0.00 174.62 175.22 1rqm n MET 3 N 4.11 0.00 -1.29 4.92 0.00 -1.25 -5.06 117.12 118.55 1rqm n MET 3 Ca -0.19 0.00 0.17 0.00 -0.00 0.00 0.00 57.70 57.68 1rqm n MET 3 Cb 0.52 -0.25 -0.05 0.00 0.00 0.00 0.00 33.22 33.44 1rqm n MET 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1rqm n THR 4 N 0.00 0.00 -4.17 1.12 -1.04 -1.26 -5.02 114.28 103.91 1rqm n THR 4 Ca 0.00 0.17 -0.13 0.00 -2.04 0.00 0.00 64.05 62.05 1rqm n THR 4 Cb 0.24 -0.60 -0.08 0.00 -1.82 0.00 0.00 70.33 68.06 1rqm n THR 4 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rqm s LEU 5 N -6.49 1.09 0.00 -4.42 1.43 -1.25 -4.91 118.68 104.13 1rqm s LEU 5 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1rqm s LEU 5 Cb 0.00 0.74 0.00 0.00 0.03 0.00 0.00 46.19 46.96 1rqm s LEU 5 CO 0.00 -0.97 0.00 0.41 0.23 0.00 0.00 176.35 176.02 1rqm n THR 6 N -0.37 0.00 0.06 5.49 -1.04 -1.26 -4.69 114.28 112.46 1rqm n THR 6 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1rqm n THR 6 Cb 0.64 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 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 -0.15 -0.07 -0.08 8.00 2.03 -1.26 -4.05 116.55 120.97 1rqm n ASP 7 Ca 0.00 0.19 0.21 0.00 0.52 0.00 0.00 54.79 55.72 1rqm n ASP 7 Cb 0.00 0.16 0.66 0.00 -0.72 0.00 0.00 41.12 41.23 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 0.00 2.51 0.00 -1.67 0.00 -1.99 0.77 119.26 118.89 1rqm h ALA 8 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1rqm h ALA 8 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rqm h ALA 8 CO 0.00 -0.70 -0.39 -0.97 0.00 0.00 0.00 179.25 177.19 1rqm h ASN 9 N 0.08 0.00 0.59 0.00 -0.73 -1.96 -2.98 115.58 110.57 1rqm h ASN 9 Ca 0.32 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.46 1rqm h ASN 9 Cb 1.16 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.74 1rqm h ASN 9 CO -0.03 0.39 -0.36 0.15 -0.37 0.00 0.00 177.43 177.21 1rqm h PHE 10 N 0.00 -0.96 -0.75 0.67 3.04 -1.13 0.15 116.94 117.97 1rqm h PHE 10 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1rqm h PHE 10 Cb 0.91 0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.73 1rqm h PHE 10 CO 0.00 -0.54 0.48 0.37 -2.02 0.00 0.00 178.31 176.60 1rqm h GLN 11 N -0.88 1.00 0.00 1.11 4.15 -1.66 -1.20 115.11 117.62 1rqm h GLN 11 Ca -0.08 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1rqm h GLN 11 Cb 0.71 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1rqm h GLN 11 CO 0.08 0.68 -0.12 0.37 -1.93 0.00 0.00 178.83 177.91 1rqm h GLN 12 N 1.01 0.00 0.08 1.69 4.15 -1.40 -2.43 115.11 118.21 1rqm h GLN 12 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1rqm h GLN 12 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1rqm h GLN 12 CO -0.06 0.12 -0.04 0.00 -1.93 0.00 0.00 178.83 176.92 1rqm h ALA 13 N 1.88 -0.13 -0.00 3.38 0.00 -0.07 -3.40 119.26 120.93 1rqm h ALA 13 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rqm h ALA 13 Cb 0.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rqm h ALA 13 CO 0.02 -0.12 0.05 -0.84 0.00 0.00 0.00 179.25 178.35 1rqm h ILE 14 N -0.88 0.03 0.00 0.00 3.07 -1.05 -0.56 117.51 118.12 1rqm h ILE 14 Ca -0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1rqm h ILE 14 Cb 0.09 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 1rqm h ILE 14 CO 0.02 0.00 0.00 0.06 -1.05 0.00 0.00 178.15 177.18 1rqm h GLN 15 N 0.00 0.00 -7.25 0.16 -0.00 -1.65 0.13 115.11 106.51 1rqm h GLN 15 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1rqm h GLN 15 Cb 0.10 0.00 0.15 0.00 -0.00 0.00 0.00 27.48 27.72 1rqm h GLN 15 CO -0.00 0.00 0.33 0.20 -0.00 0.00 0.00 178.83 179.36 1rqm s GLY 16 N -4.04 1.94 0.11 0.06 0.00 -0.22 -3.44 107.32 101.73 1rqm s GLY 16 Ca -0.04 0.55 -0.06 0.00 0.00 0.00 0.00 44.72 45.17 1rqm s GLY 16 CO 0.38 0.92 1.24 1.29 0.00 0.00 0.00 173.10 176.94 1rqm h ASP 17 N -0.85 0.57 -4.18 1.64 2.03 -1.90 0.24 116.42 113.98 1rqm h ASP 17 Ca -0.45 -0.49 -0.50 0.00 -0.73 0.00 0.00 57.03 54.86 1rqm h ASP 17 Cb 1.26 -0.18 0.15 0.00 -0.83 0.00 0.00 39.33 39.74 1rqm h ASP 17 CO 0.49 1.31 0.26 -0.83 -1.03 0.00 0.00 179.24 179.44 1rqm s GLY 18 N -4.46 1.65 -0.32 7.15 0.00 -1.26 -4.74 107.32 105.34 1rqm s GLY 18 Ca -0.06 0.22 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 1rqm s GLY 18 CO 0.88 0.65 2.09 2.56 0.00 0.00 0.00 173.10 179.28 1rqm s PRO 19 N -4.83 3.01 -0.06 2.90 0.04 -1.26 -4.55 135.00 130.25 1rqm s PRO 19 Ca 0.63 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 63.25 1rqm s PRO 19 Cb -0.19 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 1rqm s PRO 19 CO 0.57 -2.24 0.21 0.08 0.04 0.00 0.00 177.00 175.66 1rqm s VAL 20 N 8.48 5.38 0.03 -0.36 1.01 -0.55 -0.33 120.40 134.07 1rqm s VAL 20 Ca 0.91 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1rqm s VAL 20 Cb -0.26 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1rqm s VAL 20 CO 0.32 0.51 0.02 -1.48 0.00 0.00 0.00 175.10 174.48 1rqm s LEU 21 N -1.34 2.10 -0.06 3.92 0.05 0.13 -0.04 118.68 123.43 1rqm s LEU 21 Ca 0.21 -0.59 0.01 0.00 0.05 0.00 0.00 54.13 53.81 1rqm s LEU 21 Cb -0.13 0.32 0.02 0.00 -2.05 0.00 0.00 46.19 44.35 1rqm s LEU 21 CO 0.10 -0.43 -0.05 -0.69 -0.55 0.00 0.00 176.35 174.73 1rqm s VAL 22 N -2.30 0.67 -0.20 1.48 1.01 -0.63 -1.69 120.40 118.73 1rqm s VAL 22 Ca -0.08 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1rqm s VAL 22 Cb -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1rqm s VAL 22 CO -0.04 0.27 1.03 -0.62 0.00 0.00 0.00 175.10 175.74 1rqm s ASP 23 N 1.15 7.13 -0.46 3.32 2.15 0.30 -2.92 116.67 127.34 1rqm s ASP 23 Ca -0.07 1.41 -0.16 0.00 0.43 0.00 0.00 52.55 54.15 1rqm s ASP 23 Cb -0.14 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1rqm s ASP 23 CO -0.01 -0.62 0.43 -0.36 -0.17 0.00 0.00 175.17 174.44 1rqm s PHE 24 N 2.93 3.19 0.38 -5.34 0.08 0.15 -1.42 117.98 117.95 1rqm s PHE 24 Ca 0.45 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1rqm s PHE 24 Cb -0.16 -3.07 -0.00 0.00 -0.57 0.00 0.00 43.02 39.22 1rqm s PHE 24 CO 0.09 -0.78 0.05 -2.67 -0.10 0.00 0.00 175.22 171.80 1rqm n TRP 25 N 5.46 0.63 -3.72 0.36 4.27 -1.08 -1.83 117.44 121.52 1rqm n TRP 25 Ca -0.10 -2.05 -0.09 0.00 -3.89 0.00 0.00 57.50 51.37 1rqm n TRP 25 Cb 0.45 -0.17 -0.03 0.00 -1.36 0.00 0.00 31.31 30.21 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 -2.78 -1.21 -1.70 -1.67 0.00 -1.26 -0.31 121.76 112.83 1rqm s ALA 26 Ca 0.06 -0.09 0.12 0.00 0.00 0.00 0.00 51.96 52.05 1rqm s ALA 26 Cb 0.00 0.87 0.65 0.00 0.00 0.00 0.00 23.12 24.65 1rqm s ALA 26 CO 0.05 -0.90 1.22 0.00 0.00 0.00 0.00 175.76 176.13 1rqm n ALA 27 N -0.41 1.82 -0.01 0.00 0.00 -1.26 -3.24 120.51 117.42 1rqm n ALA 27 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rqm n ALA 27 Cb 0.62 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.15 0.00 -2.29 0.00 2.14 -1.26 -5.01 117.44 109.87 1rqm n TRP 28 Ca 0.07 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.28 1rqm n TRP 28 Cb 0.07 -0.10 -0.04 0.00 -0.81 0.00 0.00 31.31 30.43 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 6.37 0.00 0.20 0.00 0.00 -1.26 -0.15 105.19 110.35 1rqm n GLY 30 Ca 0.27 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 1.61 0.13 -1.92 -2.37 132.00 129.45 1rqm h PRO 31 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1rqm h PRO 31 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1rqm h PRO 31 CO 0.00 0.29 -0.18 0.00 -0.23 0.00 0.00 178.00 177.88 1rqm h ARG 33 N 0.00 0.00 0.00 0.00 1.12 -1.04 0.18 114.38 114.64 1rqm h ARG 33 Ca -0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.74 1rqm h ARG 33 Cb 0.37 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 1rqm h ARG 33 CO 0.02 0.00 -2.04 -1.33 -3.11 0.00 0.00 179.97 173.51 1rqm n MET 34 N -3.02 0.76 -0.02 0.20 2.81 -0.42 -4.38 117.12 113.05 1rqm n MET 34 Ca -0.01 -0.11 -0.15 0.00 -1.81 0.00 0.00 57.70 55.61 1rqm n MET 34 Cb 0.20 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.12 1rqm n MET 34 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1rqm h MET 35 N 0.00 0.19 -0.65 0.03 1.85 -0.90 -3.17 114.93 112.29 1rqm h MET 35 Ca -0.19 -0.21 0.14 0.00 -0.61 0.00 0.00 59.70 58.83 1rqm h MET 35 Cb 1.38 0.06 -0.11 0.00 0.43 0.00 0.00 31.60 33.36 1rqm h MET 35 CO 0.01 0.95 -0.00 0.00 -0.40 0.00 0.00 176.91 177.46 1rqm h ALA 36 N 0.25 0.63 -0.14 0.39 0.00 -0.85 0.50 119.26 120.05 1rqm h ALA 36 Ca -0.04 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1rqm h ALA 36 Cb 1.05 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1rqm h ALA 36 CO 0.06 -0.40 -0.39 -1.00 0.00 0.00 0.00 179.25 177.52 1rqm h PRO 37 N 0.11 0.30 -0.34 0.00 0.13 -1.76 -1.26 132.00 129.17 1rqm h PRO 37 Ca 0.34 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 65.26 1rqm h PRO 37 Cb 0.56 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1rqm h PRO 37 CO -0.56 0.65 -0.09 0.28 -0.23 0.00 0.00 178.00 178.04 1rqm h VAL 38 N 0.25 1.23 0.00 1.56 2.07 -0.72 -2.26 116.25 118.38 1rqm h VAL 38 Ca 0.03 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1rqm h VAL 38 Cb 0.80 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1rqm h VAL 38 CO 0.06 0.34 -0.10 -0.07 0.02 0.00 0.00 177.57 177.82 1rqm h LEU 39 N 0.53 0.00 0.16 2.57 3.38 0.14 0.74 115.31 122.83 1rqm h LEU 39 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1rqm h LEU 39 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rqm h LEU 39 CO 0.03 0.10 -0.08 -0.08 0.09 0.00 0.00 178.44 178.50 1rqm h GLU 40 N 0.00 -0.21 0.00 1.13 4.57 -0.67 0.89 114.58 120.29 1rqm h GLU 40 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1rqm h GLU 40 Cb 0.69 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1rqm h GLU 40 CO 0.01 0.16 0.00 1.05 -1.18 0.00 0.00 179.01 179.06 1rqm h GLU 41 N -0.63 0.00 0.65 1.92 4.11 -1.22 0.96 114.58 120.38 1rqm h GLU 41 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 1rqm h GLU 41 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1rqm h GLU 41 CO 0.04 0.00 -0.31 0.35 0.07 0.00 0.00 179.01 179.15 1rqm h PHE 42 N 0.00 -0.82 -0.39 2.06 3.57 -0.85 -3.03 116.94 117.48 1rqm h PHE 42 Ca 0.00 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1rqm h PHE 42 Cb 0.56 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 1rqm h PHE 42 CO 0.00 -0.51 -0.06 0.00 -2.23 0.00 0.00 178.31 175.51 1rqm h ALA 43 N -1.24 0.30 -0.84 2.41 0.00 -0.32 -1.92 119.26 117.64 1rqm h ALA 43 Ca -0.09 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1rqm h ALA 43 Cb 0.67 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1rqm h ALA 43 CO 0.15 -0.43 0.46 1.49 0.00 0.00 0.00 179.25 180.92 1rqm h GLU 44 N 0.04 0.70 0.00 0.00 4.81 -0.95 0.70 114.58 119.88 1rqm h GLU 44 Ca 0.19 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1rqm h GLU 44 Cb 0.28 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1rqm h GLU 44 CO -0.37 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.37 1rqm h ALA 45 N 1.50 1.00 -0.14 2.92 0.00 -1.21 -3.27 119.26 120.06 1rqm h ALA 45 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.08 1rqm h ALA 45 Cb 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.11 1rqm h ALA 45 CO -0.30 0.00 -0.48 -2.39 0.00 0.00 0.00 179.25 176.08 1rqm n HIS 46 N -2.34 -2.53 0.43 0.00 1.44 -0.54 -5.00 115.22 106.67 1rqm n HIS 46 Ca 0.00 -2.20 0.12 0.00 -2.01 0.00 0.00 57.72 53.63 1rqm n HIS 46 Cb 0.14 1.47 0.48 0.00 0.12 0.00 0.00 29.99 32.21 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rqm n ALA 47 N 0.14 1.73 -0.05 1.59 0.00 0.13 -3.73 120.51 120.31 1rqm n ALA 47 Ca 0.05 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1rqm n ALA 47 Cb 0.73 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1rqm n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rqm n ASP 48 N -2.22 1.31 -0.09 0.00 5.75 -1.26 -1.78 116.55 118.26 1rqm n ASP 48 Ca 0.03 0.21 0.20 0.00 -0.01 0.00 0.00 54.79 55.22 1rqm n ASP 48 Cb 0.25 -0.50 0.63 0.00 -1.03 0.00 0.00 41.12 40.48 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1rqm h LYS 49 N -0.53 0.13 -5.42 0.11 3.64 -1.96 0.15 116.57 112.69 1rqm h LYS 49 Ca -0.18 -0.01 -0.42 0.00 -1.27 0.00 0.00 60.65 58.77 1rqm h LYS 49 Cb 0.91 -0.03 -0.21 0.00 -0.41 0.00 0.00 32.23 32.49 1rqm h LYS 49 CO -0.11 0.09 -0.78 0.14 -2.27 0.00 0.00 179.45 176.52 1rqm s VAL 50 N -5.14 1.18 -1.39 2.00 -7.23 -1.25 -4.71 120.40 103.87 1rqm s VAL 50 Ca -0.06 -1.37 -0.13 0.00 -1.81 0.00 0.00 61.98 58.61 1rqm s VAL 50 Cb 0.21 -1.16 0.08 0.00 0.56 0.00 0.00 36.38 36.07 1rqm s VAL 50 CO 0.75 -0.23 2.05 0.41 -0.31 0.00 0.00 175.10 177.77 1rqm n THR 51 N 1.18 3.77 -2.63 5.32 -1.04 0.55 -0.08 114.28 121.35 1rqm n THR 51 Ca -0.20 -3.56 -0.35 0.00 -2.04 0.00 0.00 64.05 57.89 1rqm n THR 51 Cb 0.54 -2.51 -0.05 0.00 -1.82 0.00 0.00 70.33 66.50 1rqm n THR 51 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1rqm s VAL 52 N 2.54 3.94 0.15 12.58 0.11 -1.19 -0.70 120.40 137.84 1rqm s VAL 52 Ca 0.46 1.37 -0.13 0.00 -2.93 0.00 0.00 61.98 60.74 1rqm s VAL 52 Cb 0.11 -3.65 0.02 0.00 -1.53 0.00 0.00 36.38 31.32 1rqm s VAL 52 CO -0.04 -0.10 0.38 0.00 -3.33 0.00 0.00 175.10 172.01 1rqm s ALA 53 N -1.84 -0.57 0.02 1.54 0.00 -0.68 -3.77 121.76 116.46 1rqm s ALA 53 Ca 0.60 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.19 1rqm s ALA 53 Cb -0.18 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 1rqm s ALA 53 CO 0.22 -0.68 -0.16 -1.59 0.00 0.00 0.00 175.76 173.56 1rqm s LYS 54 N -3.88 1.15 0.04 0.00 -2.85 -1.26 -0.54 119.74 112.39 1rqm s LYS 54 Ca 0.09 -0.70 -0.09 0.00 -1.00 0.00 0.00 55.97 54.27 1rqm s LYS 54 Cb 0.02 -1.16 0.00 0.00 -2.06 0.00 0.00 37.83 34.63 1rqm s LYS 54 CO -0.05 0.30 0.18 -0.48 0.10 0.00 0.00 175.35 175.40 1rqm s LEU 55 N -0.81 1.41 0.01 2.77 0.05 -0.51 -3.78 118.68 117.82 1rqm s LEU 55 Ca 0.05 -0.36 -0.30 0.00 0.05 0.00 0.00 54.13 53.56 1rqm s LEU 55 Cb -0.07 0.91 -0.04 0.00 -2.05 0.00 0.00 46.19 44.94 1rqm s LEU 55 CO 0.01 -0.54 1.08 0.21 -0.55 0.00 0.00 176.35 176.56 1rqm s ASN 56 N -2.02 7.23 0.57 1.48 2.47 -1.26 -2.65 114.94 120.76 1rqm s ASN 56 Ca -0.06 1.79 0.35 0.00 0.42 0.00 0.00 52.86 55.36 1rqm s ASN 56 Cb -0.02 -2.57 1.56 0.00 -1.45 0.00 0.00 41.25 38.78 1rqm s ASN 56 CO -0.03 -0.38 2.06 1.62 -3.72 0.00 0.00 177.10 176.65 1rqm h VAL 57 N 4.74 0.05 0.00 -5.21 3.04 -0.97 -0.26 116.25 117.64 1rqm h VAL 57 Ca -0.40 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1rqm h VAL 57 Cb 1.21 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 1rqm h VAL 57 CO 0.79 0.02 0.00 0.44 -1.01 0.00 0.00 177.57 177.81 1rqm h ASP 58 N 0.00 0.00 0.49 3.17 3.32 -1.92 -3.18 116.42 118.30 1rqm h ASP 58 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1rqm h ASP 58 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1rqm h ASP 58 CO 0.00 0.00 -1.54 -0.08 -1.72 0.00 0.00 179.24 175.91 1rqm h GLU 59 N 0.00 0.18 -3.89 3.56 4.81 -1.45 -3.43 114.58 114.36 1rqm h GLU 59 Ca 0.00 -0.31 -0.74 0.00 -0.13 0.00 0.00 59.36 58.18 1rqm h GLU 59 Cb 0.81 0.12 -0.30 0.00 0.63 0.00 0.00 28.75 30.01 1rqm h GLU 59 CO 0.00 1.01 -0.22 1.21 -0.73 0.00 0.00 179.01 180.28 1rqm s ASN 60 N -6.81 5.90 0.32 1.04 2.47 -0.57 -4.58 114.94 112.71 1rqm s ASN 60 Ca -0.08 -2.50 0.17 0.00 0.42 0.00 0.00 52.86 50.87 1rqm s ASN 60 Cb 0.07 -2.03 0.36 0.00 -1.45 0.00 0.00 41.25 38.21 1rqm s ASN 60 CO 0.84 -0.55 1.58 1.55 -3.72 0.00 0.00 177.10 176.80 1rqm h PRO 61 N 7.75 0.00 -6.31 0.43 0.13 -1.85 -3.41 132.00 128.74 1rqm h PRO 61 Ca -0.04 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.53 1rqm h PRO 61 Cb 1.02 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.17 1rqm h PRO 61 CO 0.78 0.46 1.23 -1.91 -0.23 0.00 0.00 178.00 178.33 1rqm n GLU 62 N -3.37 2.66 0.00 0.86 4.07 -1.26 -2.29 120.64 121.31 1rqm n GLU 62 Ca 0.01 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.07 1rqm n GLU 62 Cb 0.63 -2.95 0.00 0.00 -0.06 0.00 0.00 31.44 29.06 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 5.64 0.00 0.09 6.31 -1.04 -1.26 -4.72 114.28 119.29 1rqm n THR 63 Ca 0.21 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.10 1rqm n THR 63 Cb 0.39 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.26 0.00 12.58 2.02 -1.69 0.61 112.91 126.69 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 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 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 -5.43 0.00 -0.07 4.18 2.88 -1.04 -1.56 113.62 112.58 1rqm n SER 65 Ca -0.06 -0.63 -0.09 0.00 -1.33 0.00 0.00 58.87 56.76 1rqm n SER 65 Cb 0.34 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.98 1.04 -0.30 -1.46 -0.06 -0.42 -4.65 117.38 110.55 1rqm n GLN 66 Ca 0.14 0.05 0.10 0.00 -2.00 0.00 0.00 57.00 55.29 1rqm n GLN 66 Cb 0.06 -1.30 0.26 0.00 -4.06 0.00 0.00 30.24 25.20 1rqm n GLN 66 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1rqm n PHE 67 N -2.74 0.80 -2.28 3.69 7.35 0.07 -4.96 117.46 119.39 1rqm n PHE 67 Ca -0.24 -0.50 -0.07 0.00 -0.76 0.00 0.00 57.45 55.88 1rqm n PHE 67 Cb 0.83 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.65 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rqm n GLY 68 N 1.25 0.17 3.57 7.13 0.00 -1.10 -4.92 105.19 111.30 1rqm n GLY 68 Ca 0.20 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1rqm n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rqm s ILE 69 N -2.50 3.80 0.00 -0.61 -1.09 -0.60 -4.30 121.20 115.90 1rqm s ILE 69 Ca 0.04 -1.18 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 1rqm s ILE 69 Cb -0.02 -4.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 1rqm s ILE 69 CO 0.05 -1.52 0.00 0.80 -1.23 0.00 0.00 174.94 173.04 1rqm n MET 70 N 8.51 4.12 -1.64 2.79 1.56 -1.26 -4.87 117.12 126.33 1rqm n MET 70 Ca 0.44 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.53 1rqm n MET 70 Cb 0.47 -0.32 -0.04 0.00 2.15 0.00 0.00 33.22 35.49 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1rqm n SER 71 N -0.61 7.53 -4.82 6.12 2.88 -1.26 -4.96 113.62 118.50 1rqm n SER 71 Ca 0.00 -2.97 -0.34 0.00 -1.33 0.00 0.00 58.87 54.23 1rqm n SER 71 Cb 0.00 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.02 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1rqm s ILE 72 N -0.52 4.44 0.04 2.46 -4.36 -1.26 -3.54 121.20 118.46 1rqm s ILE 72 Ca 0.60 1.40 -0.30 0.00 -0.26 0.00 0.00 60.65 62.08 1rqm s ILE 72 Cb 0.24 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 40.18 1rqm s ILE 72 CO -0.11 -0.15 1.57 -2.16 0.24 0.00 0.00 174.94 174.33 1rqm s PRO 73 N -2.81 4.22 -0.01 0.37 0.04 -1.26 -4.76 135.00 130.80 1rqm s PRO 73 Ca 0.56 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.83 1rqm s PRO 73 Cb -0.12 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 1rqm s PRO 73 CO 0.17 -0.68 -0.03 0.99 0.04 0.00 0.00 177.00 177.48 1rqm s THR 74 N 2.58 3.93 -0.05 1.26 2.01 -0.76 -0.81 115.64 123.79 1rqm s THR 74 Ca 0.70 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1rqm s THR 74 Cb -0.37 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.43 1rqm s THR 74 CO 0.30 0.41 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.30 1rqm s LEU 75 N -1.41 1.73 0.03 4.42 0.20 0.06 -0.68 118.68 123.04 1rqm s LEU 75 Ca 0.18 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.77 1rqm s LEU 75 Cb -0.11 -0.76 -0.02 0.00 -0.43 0.00 0.00 46.19 44.87 1rqm s LEU 75 CO 0.08 0.07 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.44 1rqm s ILE 76 N 0.39 1.06 -0.10 6.68 1.01 -1.15 -0.13 121.20 128.96 1rqm s ILE 76 Ca -0.09 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1rqm s ILE 76 Cb -0.13 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1rqm s ILE 76 CO 0.02 0.04 -0.16 -0.22 0.00 0.00 0.00 174.94 174.62 1rqm s LEU 77 N -1.01 2.59 0.18 2.97 0.20 -0.55 -1.60 118.68 121.46 1rqm s LEU 77 Ca 0.02 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.53 1rqm s LEU 77 Cb -0.07 -1.55 -0.05 0.00 -0.43 0.00 0.00 46.19 44.09 1rqm s LEU 77 CO 0.01 0.22 -0.04 -0.36 -0.29 0.00 0.00 176.35 175.89 1rqm s PHE 78 N 0.03 1.30 -0.08 5.38 0.40 0.94 -0.98 117.98 124.97 1rqm s PHE 78 Ca -0.06 -0.90 -0.29 0.00 -0.60 0.00 0.00 56.93 55.08 1rqm s PHE 78 Cb -0.15 -0.72 0.07 0.00 0.51 0.00 0.00 43.02 42.73 1rqm s PHE 78 CO 0.05 -0.07 0.67 -1.59 0.70 0.00 0.00 175.22 174.98 1rqm s LYS 79 N -3.84 1.01 -1.99 0.44 0.00 -0.66 -1.48 119.74 113.21 1rqm s LYS 79 Ca 0.22 0.35 0.00 0.00 0.00 0.00 0.00 55.97 56.54 1rqm s LYS 79 Cb 0.05 0.48 0.00 0.00 0.00 0.00 0.00 37.83 38.35 1rqm s LYS 79 CO 0.04 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.51 1rqm n GLY 80 N 1.20 1.78 3.09 0.59 0.00 0.84 -0.48 105.19 112.21 1rqm n GLY 80 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.35 2.34 3.64 -0.02 0.00 0.40 -4.80 105.19 106.40 1rqm n GLY 81 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.01 4.12 -0.41 1.61 2.56 0.37 -4.98 118.70 121.95 1rqm s GLU 82 Ca 0.00 0.91 -0.28 0.00 0.00 0.00 0.00 54.97 55.60 1rqm s GLU 82 Cb 0.00 -3.68 0.00 0.00 2.00 0.00 0.00 34.13 32.46 1rqm s GLU 82 CO 0.00 -0.61 1.53 -1.25 -0.56 0.00 0.00 175.26 174.37 1rqm s PRO 83 N 3.00 3.45 0.17 4.30 0.04 -1.26 -1.65 135.00 143.05 1rqm s PRO 83 Ca 0.36 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 1rqm s PRO 83 Cb -0.15 -4.09 0.06 0.00 0.04 0.00 0.00 34.50 30.36 1rqm s PRO 83 CO 0.09 -1.73 1.48 -0.39 0.04 0.00 0.00 177.00 176.50 1rqm h VAL 84 N 6.56 1.31 -3.19 -0.36 -1.51 -1.41 -3.47 116.25 114.18 1rqm h VAL 84 Ca -0.29 -1.76 -0.03 0.00 -1.23 0.00 0.00 66.70 63.39 1rqm h VAL 84 Cb 1.12 1.71 -0.12 0.00 -2.13 0.00 0.00 31.29 31.87 1rqm h VAL 84 CO 1.09 0.56 0.08 -1.59 -1.23 0.00 0.00 177.57 176.47 1rqm s LYS 85 N -4.05 1.21 0.01 5.19 -2.85 -1.19 -5.04 119.74 113.01 1rqm s LYS 85 Ca -0.08 -0.61 0.05 0.00 -1.00 0.00 0.00 55.97 54.32 1rqm s LYS 85 Cb 0.11 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.40 1rqm s LYS 85 CO 0.85 -0.51 -0.15 -1.14 0.10 0.00 0.00 175.35 174.51 1rqm s GLN 86 N -3.79 1.11 0.13 1.78 0.74 -1.26 -1.49 119.66 116.89 1rqm s GLN 86 Ca 0.03 -0.65 0.11 0.00 0.05 0.00 0.00 55.36 54.90 1rqm s GLN 86 Cb 0.00 -1.11 -0.04 0.00 1.10 0.00 0.00 33.01 32.96 1rqm s GLN 86 CO -0.11 0.29 -0.27 -0.51 -0.55 0.00 0.00 175.29 174.14 1rqm s LEU 87 N -0.71 2.32 -0.03 3.68 2.01 0.81 -5.00 118.68 121.76 1rqm s LEU 87 Ca 0.04 -0.75 -0.01 0.00 0.01 0.00 0.00 54.13 53.42 1rqm s LEU 87 Cb -0.07 -1.21 0.03 0.00 0.01 0.00 0.00 46.19 44.94 1rqm s LEU 87 CO 0.00 0.18 0.07 0.27 1.01 0.00 0.00 176.35 177.88 1rqm s ILE 88 N -1.06 -0.04 0.00 -0.59 -4.36 -1.26 -0.76 121.20 113.13 1rqm s ILE 88 Ca 0.14 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 1rqm s ILE 88 Cb -0.10 -0.13 0.00 0.00 1.25 0.00 0.00 42.46 43.48 1rqm s ILE 88 CO 0.06 0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.91 1rqm n GLY 89 N 3.91 1.74 3.18 6.27 0.00 0.01 -4.81 105.19 115.48 1rqm n GLY 89 Ca -0.24 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 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 1.68 3.48 -2.52 1.61 9.36 -1.26 -4.76 117.16 124.75 1rqm n TYR 90 Ca 0.00 -2.51 -0.43 0.00 3.32 0.00 0.00 57.90 58.29 1rqm n TYR 90 Cb 0.00 -2.44 -0.02 0.00 -0.63 0.00 0.00 39.34 36.25 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 4.31 4.31 0.98 2.98 -1.52 -1.26 -5.01 119.66 124.45 1rqm s GLN 91 Ca 0.54 1.58 -0.12 0.00 -1.95 0.00 0.00 55.36 55.41 1rqm s GLN 91 Cb 0.09 -3.63 0.18 0.00 -0.22 0.00 0.00 33.01 29.43 1rqm s GLN 91 CO 0.03 -0.54 1.08 -1.25 -0.25 0.00 0.00 175.29 174.37 1rqm s PRO 92 N 2.73 0.55 0.20 2.91 0.04 -1.26 -4.50 135.00 135.67 1rqm s PRO 92 Ca 0.52 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 62.21 1rqm s PRO 92 Cb -0.21 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.80 1rqm s PRO 92 CO 0.17 -2.72 1.63 0.87 0.04 0.00 0.00 177.00 176.98 1rqm h LYS 93 N -1.90 -0.03 0.00 4.56 1.79 -1.96 0.89 116.57 119.92 1rqm h LYS 93 Ca -0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1rqm h LYS 93 Cb 1.31 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1rqm h LYS 93 CO 0.53 -0.02 0.00 1.49 -1.08 0.00 0.00 179.45 180.38 1rqm h GLU 94 N -0.03 0.00 0.00 3.15 4.81 -1.96 0.26 114.58 120.81 1rqm h GLU 94 Ca 0.28 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1rqm h GLU 94 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1rqm h GLU 94 CO -0.61 0.00 -0.70 0.37 -0.73 0.00 0.00 179.01 177.33 1rqm h GLN 95 N 0.00 0.00 0.58 1.92 -0.00 -1.26 -3.25 115.11 113.11 1rqm h GLN 95 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1rqm h GLN 95 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 1rqm h GLN 95 CO 0.00 0.39 -0.48 1.25 0.00 0.00 0.00 178.83 179.99 1rqm h LEU 96 N -1.00 -1.29 -1.26 -2.39 6.46 -0.80 0.24 115.31 115.27 1rqm h LEU 96 Ca -0.12 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1rqm h LEU 96 Cb 0.76 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1rqm h LEU 96 CO -0.07 -0.67 0.00 -0.08 -0.62 0.00 0.00 178.44 176.99 1rqm h GLU 97 N -1.04 0.00 0.02 1.25 4.81 -0.70 0.11 114.58 119.03 1rqm h GLU 97 Ca -0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1rqm h GLU 97 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1rqm h GLU 97 CO -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.26 1rqm h ALA 98 N 2.11 -0.03 0.00 2.92 0.00 -1.47 -2.77 119.26 120.02 1rqm h ALA 98 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rqm h ALA 98 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rqm h ALA 98 CO 0.00 -0.07 -0.02 0.37 0.00 0.00 0.00 179.25 179.53 1rqm h GLN 99 N -0.92 0.00 -0.06 0.00 5.75 0.32 -1.51 115.11 118.68 1rqm h GLN 99 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1rqm h GLN 99 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1rqm h GLN 99 CO 0.01 0.02 0.00 -0.11 -2.65 0.00 0.00 178.83 176.09 1rqm n LEU 100 N -4.16 3.03 -0.11 -2.39 7.94 0.30 -4.69 117.00 116.93 1rqm n LEU 100 Ca -0.03 -1.04 0.10 0.00 -1.11 0.00 0.00 56.01 53.93 1rqm n LEU 100 Cb 0.10 -0.02 0.45 0.00 0.53 0.00 0.00 43.42 44.48 1rqm n LEU 100 CO 0.31 0.52 1.19 0.00 -1.11 0.00 0.00 177.39 178.30 1rqm h ALA 101 N 4.69 1.90 0.00 1.96 0.00 -0.97 -0.61 119.26 126.23 1rqm h ALA 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 101 Cb 1.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rqm h ALA 101 CO 0.00 -0.02 0.00 -0.40 0.00 0.00 0.00 179.25 178.83 1rqm n ASP 102 N -4.48 0.26 0.00 0.00 5.75 -1.26 -0.25 116.55 116.56 1rqm n ASP 102 Ca 0.10 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.46 1rqm n ASP 102 Cb 0.31 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1rqm n ASP 102 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1rqm n VAL 103 N -1.80 0.79 0.14 2.12 0.24 -0.29 -4.58 118.33 114.95 1rqm n VAL 103 Ca 0.02 -0.84 0.02 0.00 -2.04 0.00 0.00 64.34 61.49 1rqm n VAL 103 Cb 0.12 0.62 0.01 0.00 -1.47 0.00 0.00 33.84 33.12 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rqm n LEU 104 N -0.40 1.25 0.00 1.34 7.99 -0.42 -4.92 117.00 121.85 1rqm n LEU 104 Ca 0.00 -0.99 0.11 0.00 -0.01 0.00 0.00 56.01 55.12 1rqm n LEU 104 Cb 0.25 0.00 0.65 0.00 -0.11 0.00 0.00 43.42 44.21 1rqm n LEU 104 CO 0.00 0.28 0.84 1.67 -1.51 0.00 0.00 177.39 178.67