#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm n THR 2 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.90 114.28 113.78 1rqm n THR 2 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rqm n THR 2 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1rqm n THR 2 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1rqm n MET 3 N -0.42 0.00 -1.70 1.09 1.56 -1.26 -5.11 117.12 111.28 1rqm n MET 3 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.00 1rqm n MET 3 Cb 0.00 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.36 1rqm n MET 3 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1rqm n THR 4 N 0.00 1.45 -2.51 1.12 -1.04 -1.26 -3.41 114.28 108.63 1rqm n THR 4 Ca 0.00 -0.36 -0.24 0.00 -2.04 0.00 0.00 64.05 61.41 1rqm n THR 4 Cb 0.00 -1.64 0.09 0.00 -1.82 0.00 0.00 70.33 66.96 1rqm n THR 4 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1rqm s LEU 5 N -0.60 3.00 0.41 -4.42 2.96 0.12 -4.85 118.68 115.30 1rqm s LEU 5 Ca 0.61 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1rqm s LEU 5 Cb -0.58 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 1rqm s LEU 5 CO 0.55 -1.74 0.14 0.42 -1.32 0.00 0.00 176.35 174.40 1rqm s THR 6 N -3.12 0.56 0.08 3.68 -4.23 -1.26 -4.88 115.64 106.46 1rqm s THR 6 Ca 0.64 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.81 1rqm s THR 6 Cb -0.07 -2.34 -0.18 0.00 1.34 0.00 0.00 72.50 71.25 1rqm s THR 6 CO 0.44 0.00 1.60 -2.24 -0.54 0.00 0.00 174.62 173.88 1rqm h ASP 7 N 1.79 -1.01 -0.92 3.99 2.03 -1.99 0.14 116.42 120.45 1rqm h ASP 7 Ca -0.35 0.06 0.06 0.00 -0.73 0.00 0.00 57.03 56.07 1rqm h ASP 7 Cb 1.27 0.29 -0.06 0.00 -0.83 0.00 0.00 39.33 40.00 1rqm h ASP 7 CO 0.56 -0.63 0.58 0.00 -1.03 0.00 0.00 179.24 178.72 1rqm h ALA 8 N -0.76 1.27 0.00 4.15 0.00 -2.00 -2.05 119.26 119.88 1rqm h ALA 8 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rqm h ALA 8 Cb 0.81 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rqm h ALA 8 CO 0.09 0.36 -0.40 -0.97 0.00 0.00 0.00 179.25 178.33 1rqm h ASN 9 N 1.07 0.00 0.57 0.00 -1.24 -1.95 0.04 115.58 114.06 1rqm h ASN 9 Ca 0.40 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.37 1rqm h ASN 9 Cb 0.16 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 1rqm h ASN 9 CO -0.17 0.01 -0.33 0.15 -1.29 0.00 0.00 177.43 175.80 1rqm h PHE 10 N 0.00 -0.87 -0.32 0.67 3.57 -0.01 0.10 116.94 120.08 1rqm h PHE 10 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1rqm h PHE 10 Cb 0.97 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1rqm h PHE 10 CO 0.00 -0.51 0.13 1.96 -2.23 0.00 0.00 178.31 177.66 1rqm h GLN 11 N -0.84 0.47 -0.05 1.11 4.20 -1.44 0.14 115.11 118.70 1rqm h GLN 11 Ca -0.07 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1rqm h GLN 11 Cb 0.68 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1rqm h GLN 11 CO 0.08 0.48 -0.14 0.37 -0.67 0.00 0.00 178.83 178.94 1rqm h GLN 12 N 0.37 0.07 0.47 1.46 5.75 -0.93 -0.47 115.11 121.83 1rqm h GLN 12 Ca 0.11 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1rqm h GLN 12 Cb 0.18 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1rqm h GLN 12 CO -0.01 0.22 -0.23 0.00 -2.65 0.00 0.00 178.83 176.17 1rqm h ALA 13 N 1.79 -0.66 0.00 3.38 0.00 -0.48 -3.36 119.26 119.93 1rqm h ALA 13 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rqm h ALA 13 Cb 0.30 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rqm h ALA 13 CO 0.02 -0.61 0.00 0.44 0.00 0.00 0.00 179.25 179.10 1rqm n ILE 14 N -5.07 1.06 -0.36 0.00 -5.35 0.01 -3.89 119.36 105.76 1rqm n ILE 14 Ca -0.08 0.27 0.28 0.00 -0.27 0.00 0.00 62.75 62.95 1rqm n ILE 14 Cb 0.25 -1.03 0.56 0.00 -1.74 0.00 0.00 39.64 37.68 1rqm n ILE 14 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1rqm h GLN 15 N 0.00 0.27 0.00 6.28 3.07 -1.24 -3.33 115.11 120.16 1rqm h GLN 15 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1rqm h GLN 15 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1rqm h GLN 15 CO 0.00 0.18 0.00 0.41 0.09 0.00 0.00 178.83 179.51 1rqm n GLY 16 N -1.50 3.12 0.00 0.06 0.00 -1.25 -3.87 105.19 101.75 1rqm n GLY 16 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1rqm n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rqm n ASP 17 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.67 116.55 114.26 1rqm n ASP 17 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1rqm n ASP 17 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1rqm n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rqm n GLY 18 N 0.00 3.99 3.57 0.27 0.00 -1.26 -0.64 105.19 111.12 1rqm n GLY 18 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 4.81 2.77 -0.06 1.61 0.04 -1.26 -4.03 135.00 138.87 1rqm s PRO 19 Ca 0.00 -0.82 -0.10 0.00 0.04 0.00 0.00 61.00 60.12 1rqm s PRO 19 Cb 0.00 -5.20 -0.05 0.00 0.04 0.00 0.00 34.50 29.30 1rqm s PRO 19 CO 0.00 -3.36 0.25 0.08 0.04 0.00 0.00 177.00 174.01 1rqm s VAL 20 N 9.35 5.31 -0.04 -0.36 1.01 -0.46 -0.39 120.40 134.82 1rqm s VAL 20 Ca 0.65 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1rqm s VAL 20 Cb -0.03 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1rqm s VAL 20 CO 0.04 0.59 0.02 -1.48 0.00 0.00 0.00 175.10 174.27 1rqm s LEU 21 N -1.10 0.69 0.22 3.92 2.34 -0.40 -0.45 118.68 123.90 1rqm s LEU 21 Ca 0.19 0.00 -0.23 0.00 0.06 0.00 0.00 54.13 54.15 1rqm s LEU 21 Cb -0.14 -0.23 -0.08 0.00 -0.56 0.00 0.00 46.19 45.18 1rqm s LEU 21 CO 0.08 -0.17 0.79 0.54 -1.06 0.00 0.00 176.35 176.53 1rqm s VAL 22 N 1.61 4.41 -0.51 1.48 0.11 -0.23 -0.53 120.40 126.74 1rqm s VAL 22 Ca -0.02 1.58 0.04 0.00 -2.93 0.00 0.00 61.98 60.64 1rqm s VAL 22 Cb -0.13 -4.02 0.13 0.00 -1.53 0.00 0.00 36.38 30.84 1rqm s VAL 22 CO -0.03 0.34 0.27 -1.81 -3.33 0.00 0.00 175.10 170.54 1rqm s ASP 23 N -1.42 4.14 -0.32 3.54 1.01 0.71 -2.62 116.67 121.72 1rqm s ASP 23 Ca 0.41 -2.97 -0.29 0.00 0.71 0.00 0.00 52.55 50.41 1rqm s ASP 23 Cb -0.20 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.27 1rqm s ASP 23 CO 0.24 -0.23 1.29 -0.36 0.21 0.00 0.00 175.17 176.32 1rqm s PHE 24 N -0.19 2.70 0.07 4.23 0.08 0.70 -1.06 117.98 124.51 1rqm s PHE 24 Ca 0.18 0.87 0.00 0.00 0.12 0.00 0.00 56.93 58.10 1rqm s PHE 24 Cb -0.24 -3.94 -0.00 0.00 -0.57 0.00 0.00 43.02 38.27 1rqm s PHE 24 CO -0.01 -1.65 0.02 -2.67 -0.10 0.00 0.00 175.22 170.80 1rqm n TRP 25 N 7.67 0.06 -3.61 0.36 4.27 -0.57 -1.51 117.44 124.12 1rqm n TRP 25 Ca 0.15 -0.41 -0.11 0.00 -3.89 0.00 0.00 57.50 53.24 1rqm n TRP 25 Cb 0.47 -0.01 -0.04 0.00 -1.36 0.00 0.00 31.31 30.36 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 -2.17 -1.03 0.54 -1.67 0.00 -1.26 -0.04 121.76 116.12 1rqm s ALA 26 Ca 0.02 0.02 0.22 0.00 0.00 0.00 0.00 51.96 52.22 1rqm s ALA 26 Cb 0.00 0.74 1.40 0.00 0.00 0.00 0.00 23.12 25.26 1rqm s ALA 26 CO 0.02 -0.68 2.09 0.00 0.00 0.00 0.00 175.76 177.19 1rqm h ALA 27 N 2.30 2.14 0.00 0.00 0.00 -1.95 -3.05 119.26 118.69 1rqm h ALA 27 Ca -0.34 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 1rqm h ALA 27 Cb 1.26 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1rqm h ALA 27 CO 0.45 -0.28 -1.77 -2.67 0.00 0.00 0.00 179.25 174.98 1rqm n TRP 28 N -4.35 0.64 -1.33 0.00 2.14 -1.26 -5.04 117.44 108.25 1rqm n TRP 28 Ca 0.02 0.22 -0.30 0.00 2.07 0.00 0.00 57.50 59.51 1rqm n TRP 28 Cb 0.31 -1.02 0.12 0.00 -0.81 0.00 0.00 31.31 29.91 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 -1.49 0.62 0.33 0.00 0.00 -1.26 -4.41 105.19 98.98 1rqm n GLY 30 Ca 0.07 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.06 1.61 0.13 -1.97 0.10 132.00 131.81 1rqm h PRO 31 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1rqm h PRO 31 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rqm h PRO 31 CO 0.00 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 177.83 1rqm n ARG 33 N -4.12 0.14 -0.06 0.00 1.74 0.02 -0.05 116.66 114.33 1rqm n ARG 33 Ca -0.02 0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1rqm n ARG 33 Cb 0.15 -1.69 -0.14 0.00 -1.02 0.00 0.00 32.46 29.75 1rqm n ARG 33 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1rqm n MET 34 N -1.94 0.67 0.09 5.56 2.81 -0.24 -4.34 117.12 119.73 1rqm n MET 34 Ca 0.05 0.16 -0.16 0.00 -1.81 0.00 0.00 57.70 55.94 1rqm n MET 34 Cb 0.33 -1.64 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.01 0.39 -0.31 0.03 1.85 -0.96 -3.04 114.93 112.90 1rqm h MET 35 Ca -0.44 -0.53 0.07 0.00 -0.61 0.00 0.00 59.70 58.19 1rqm h MET 35 Cb 2.08 0.18 -0.07 0.00 0.43 0.00 0.00 31.60 34.22 1rqm h MET 35 CO 0.04 1.20 -0.18 0.00 -0.40 0.00 0.00 176.91 177.57 1rqm h ALA 36 N 0.59 0.04 -0.62 0.39 0.00 -0.68 0.46 119.26 119.44 1rqm h ALA 36 Ca -0.13 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1rqm h ALA 36 Cb 1.81 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.99 1rqm h ALA 36 CO 0.20 -0.58 0.17 -1.00 0.00 0.00 0.00 179.25 178.04 1rqm h PRO 37 N -0.14 0.96 0.00 0.00 0.13 -1.76 0.16 132.00 131.35 1rqm h PRO 37 Ca 0.16 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1rqm h PRO 37 Cb 0.39 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1rqm h PRO 37 CO -0.40 0.84 0.00 0.28 -0.23 0.00 0.00 178.00 178.49 1rqm n VAL 38 N -4.26 0.93 0.36 1.56 0.31 -0.26 -1.42 118.33 115.55 1rqm n VAL 38 Ca 0.05 0.39 0.11 0.00 -0.01 0.00 0.00 64.34 64.87 1rqm n VAL 38 Cb 0.23 -1.33 -0.14 0.00 -0.91 0.00 0.00 33.84 31.69 1rqm n VAL 38 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1rqm n LEU 39 N -2.19 0.39 0.12 7.52 4.32 0.15 -2.57 117.00 124.73 1rqm n LEU 39 Ca 0.01 -0.16 -0.24 0.00 -0.02 0.00 0.00 56.01 55.61 1rqm n LEU 39 Cb 0.16 -0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 41.81 1rqm n LEU 39 CO 0.16 0.08 -0.15 -0.08 -1.22 0.00 0.00 177.39 176.18 1rqm h GLU 40 N 0.00 0.53 -0.31 3.23 4.57 -0.04 0.21 114.58 122.77 1rqm h GLU 40 Ca 0.00 -0.85 0.07 0.00 -1.18 0.00 0.00 59.36 57.40 1rqm h GLU 40 Cb 0.82 0.31 -0.07 0.00 -0.16 0.00 0.00 28.75 29.65 1rqm h GLU 40 CO 0.00 1.40 -0.14 1.49 -1.18 0.00 0.00 179.01 180.58 1rqm h GLU 41 N 0.11 -0.08 -0.21 1.92 4.57 -1.40 -1.85 114.58 117.63 1rqm h GLU 41 Ca -0.22 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1rqm h GLU 41 Cb 2.03 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.61 1rqm h GLU 41 CO 0.25 -0.06 0.06 0.35 -1.18 0.00 0.00 179.01 178.43 1rqm h PHE 42 N -0.09 0.10 -0.22 0.92 3.57 -1.46 -0.71 116.94 119.06 1rqm h PHE 42 Ca 0.16 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1rqm h PHE 42 Cb 0.33 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 1rqm h PHE 42 CO -0.35 0.04 -0.54 0.00 -2.23 0.00 0.00 178.31 175.23 1rqm h ALA 43 N 1.14 -0.85 -0.53 2.41 0.00 -0.15 -2.00 119.26 119.29 1rqm h ALA 43 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rqm h ALA 43 Cb 0.08 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1rqm h ALA 43 CO -0.11 -1.08 0.34 1.49 0.00 0.00 0.00 179.25 179.90 1rqm h GLU 44 N -0.53 0.70 0.00 0.00 4.81 -1.24 -0.39 114.58 117.94 1rqm h GLU 44 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rqm h GLU 44 Cb 0.66 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1rqm h GLU 44 CO -0.49 0.47 0.17 0.00 -0.73 0.00 0.00 179.01 178.44 1rqm h ALA 45 N 1.18 1.11 -0.22 2.92 0.00 -0.42 -1.56 119.26 122.27 1rqm h ALA 45 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 1rqm h ALA 45 Cb -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.34 1rqm h ALA 45 CO -0.04 -0.11 -1.04 -2.39 0.00 0.00 0.00 179.25 175.66 1rqm n HIS 46 N -2.18 0.59 -0.35 0.00 1.44 -0.79 -4.97 115.22 108.95 1rqm n HIS 46 Ca -0.01 -1.37 0.25 0.00 -2.01 0.00 0.00 57.72 54.58 1rqm n HIS 46 Cb 0.20 -0.13 0.51 0.00 0.12 0.00 0.00 29.99 30.68 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 1.80 2.21 0.00 1.59 0.00 -0.03 -0.62 119.26 124.21 1rqm h ALA 47 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rqm h ALA 47 Cb 1.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1rqm h ALA 47 CO 0.12 -0.71 0.00 -3.47 0.00 0.00 0.00 179.25 175.20 1rqm n ASP 48 N -4.76 0.85 0.07 0.00 2.03 -1.26 -0.33 116.55 113.15 1rqm n ASP 48 Ca 0.29 -1.37 -0.02 0.00 0.52 0.00 0.00 54.79 54.21 1rqm n ASP 48 Cb 0.98 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.32 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 0.00 -4.69 -0.67 3.64 -1.49 -3.47 116.57 109.88 1rqm h LYS 49 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1rqm h LYS 49 Cb 0.65 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.32 1rqm h LYS 49 CO 0.00 0.57 -0.60 0.14 -2.27 0.00 0.00 179.45 177.29 1rqm s VAL 50 N -2.84 0.10 -0.76 2.00 -7.23 -1.06 -4.90 120.40 105.70 1rqm s VAL 50 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1rqm s VAL 50 Cb 0.09 -2.52 0.19 0.00 0.56 0.00 0.00 36.38 34.70 1rqm s VAL 50 CO 0.79 0.00 0.62 0.28 -0.31 0.00 0.00 175.10 176.48 1rqm s THR 51 N -3.97 4.18 0.65 5.32 -1.32 0.47 -4.85 115.64 116.13 1rqm s THR 51 Ca 0.39 -3.32 -0.15 0.00 -1.21 0.00 0.00 61.69 57.40 1rqm s THR 51 Cb 0.06 -3.64 -0.00 0.00 -1.51 0.00 0.00 72.50 67.41 1rqm s THR 51 CO 0.15 -0.98 1.11 0.54 -2.21 0.00 0.00 174.62 173.22 1rqm s VAL 52 N -0.62 3.28 -0.27 5.08 0.11 -1.26 -1.27 120.40 125.45 1rqm s VAL 52 Ca 0.22 0.59 -0.09 0.00 -2.93 0.00 0.00 61.98 59.77 1rqm s VAL 52 Cb -0.14 -3.12 0.12 0.00 -1.53 0.00 0.00 36.38 31.71 1rqm s VAL 52 CO -0.08 -0.37 0.58 0.00 -3.33 0.00 0.00 175.10 171.91 1rqm s ALA 53 N -2.34 -1.77 0.11 1.54 0.00 0.31 -4.00 121.76 115.61 1rqm s ALA 53 Ca 0.67 2.09 -0.09 0.00 0.00 0.00 0.00 51.96 54.63 1rqm s ALA 53 Cb -0.20 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 1rqm s ALA 53 CO 0.41 -0.85 0.41 -1.59 0.00 0.00 0.00 175.76 174.14 1rqm s LYS 54 N 2.76 3.74 0.04 0.00 -2.85 -1.22 -0.21 119.74 122.01 1rqm s LYS 54 Ca -0.05 0.14 -0.18 0.00 -1.00 0.00 0.00 55.97 54.89 1rqm s LYS 54 Cb -0.12 -2.94 0.04 0.00 -2.06 0.00 0.00 37.83 32.75 1rqm s LYS 54 CO -0.17 0.52 0.41 -0.48 0.10 0.00 0.00 175.35 175.72 1rqm s LEU 55 N -2.13 0.42 -0.78 2.77 2.34 -0.22 -0.70 118.68 120.37 1rqm s LEU 55 Ca 0.36 0.00 -0.22 0.00 0.06 0.00 0.00 54.13 54.33 1rqm s LEU 55 Cb -0.13 1.72 0.08 0.00 -0.56 0.00 0.00 46.19 47.29 1rqm s LEU 55 CO 0.20 -0.65 1.11 0.21 -1.06 0.00 0.00 176.35 176.15 1rqm s ASN 56 N -1.97 6.32 0.59 1.48 2.47 -1.26 -1.51 114.94 121.06 1rqm s ASN 56 Ca -0.06 -1.22 0.37 0.00 0.42 0.00 0.00 52.86 52.37 1rqm s ASN 56 Cb -0.01 -2.45 1.76 0.00 -1.45 0.00 0.00 41.25 39.10 1rqm s ASN 56 CO -0.02 -1.42 2.13 1.62 -3.72 0.00 0.00 177.10 175.70 1rqm h VAL 57 N 6.05 0.04 -0.21 -5.21 3.04 -0.74 0.11 116.25 119.32 1rqm h VAL 57 Ca -0.12 -0.33 0.06 0.00 -1.01 0.00 0.00 66.70 65.30 1rqm h VAL 57 Cb 1.05 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1rqm h VAL 57 CO 1.21 0.01 0.17 -0.78 -1.01 0.00 0.00 177.57 177.17 1rqm h ASP 58 N 0.00 0.00 0.00 3.17 3.58 -1.91 -2.84 116.42 118.42 1rqm h ASP 58 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rqm h ASP 58 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1rqm h ASP 58 CO 0.00 0.00 -1.21 1.21 -2.88 0.00 0.00 179.24 176.36 1rqm n GLU 59 N -4.24 1.29 -3.68 0.28 2.13 -0.05 -4.78 120.64 111.59 1rqm n GLU 59 Ca 0.02 -0.07 -0.34 0.00 0.66 0.00 0.00 57.16 57.43 1rqm n GLU 59 Cb 0.31 -1.20 -0.07 0.00 0.27 0.00 0.00 31.44 30.75 1rqm n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1rqm n ASN 60 N -1.70 4.00 0.00 4.31 4.13 -0.73 -4.98 115.26 120.30 1rqm n ASN 60 Ca -0.01 -3.16 0.00 0.00 1.68 0.00 0.00 54.58 53.09 1rqm n ASN 60 Cb 0.26 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 1rqm n ASN 60 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1rqm n PRO 61 N 2.17 0.00 0.00 3.52 -0.04 -1.26 -4.52 135.00 134.87 1rqm n PRO 61 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1rqm n PRO 61 Cb 0.37 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 1rqm n PRO 61 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1rqm n GLU 62 N -0.06 0.00 0.00 0.54 0.28 -1.26 0.05 120.64 120.19 1rqm n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1rqm n GLU 62 Cb 0.00 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 31.64 1rqm n GLU 62 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1rqm n THR 63 N -0.43 0.00 -0.18 3.84 -1.04 -1.26 -5.00 114.28 110.21 1rqm n THR 63 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1rqm n THR 63 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.00 -0.50 12.58 2.02 -0.62 -0.60 112.91 125.79 1rqm h THR 64 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1rqm h THR 64 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1rqm h THR 64 CO 0.00 0.00 0.27 -1.28 0.37 0.00 0.00 175.52 174.88 1rqm h SER 65 N -0.25 0.41 0.03 4.18 0.87 -1.91 0.78 113.55 117.66 1rqm h SER 65 Ca 0.08 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1rqm h SER 65 Cb 0.46 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1rqm h SER 65 CO -0.58 0.29 -0.02 -0.61 -0.53 0.00 0.00 176.83 175.38 1rqm h GLN 66 N 0.53 0.00 -0.27 2.24 5.75 -1.68 -2.16 115.11 119.53 1rqm h GLN 66 Ca 0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1rqm h GLN 66 Cb 0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1rqm h GLN 66 CO -0.13 0.02 0.00 0.34 -2.65 0.00 0.00 178.83 176.41 1rqm n PHE 67 N -4.24 0.46 -1.63 3.99 -0.00 -0.32 -5.00 117.46 110.73 1rqm n PHE 67 Ca -0.03 -0.58 -0.07 0.00 -0.00 0.00 0.00 57.45 56.77 1rqm n PHE 67 Cb 0.10 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.48 39.48 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1rqm n GLY 68 N 0.12 0.54 1.86 7.13 0.00 -0.49 -4.91 105.19 109.44 1rqm n GLY 68 Ca 0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.35 2.69 1.15 -0.61 2.08 0.15 -3.79 119.36 117.67 1rqm n ILE 69 Ca -0.08 -1.26 0.14 0.00 0.56 0.00 0.00 62.75 62.11 1rqm n ILE 69 Cb 0.38 -1.80 0.55 0.00 -0.75 0.00 0.00 39.64 38.02 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 2.04 0.21 0.00 0.38 1.56 -1.26 -4.57 117.12 115.48 1rqm n MET 70 Ca 0.29 -0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.67 1rqm n MET 70 Cb 0.76 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.63 1rqm n MET 70 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1rqm n SER 71 N -1.34 0.51 -4.75 6.12 3.41 -1.25 -4.94 113.62 111.38 1rqm n SER 71 Ca 0.09 -1.58 -0.39 0.00 -0.26 0.00 0.00 58.87 56.74 1rqm n SER 71 Cb 0.31 -0.26 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1rqm s ILE 72 N -1.35 2.15 0.24 -1.33 -4.36 -1.26 -3.85 121.20 111.43 1rqm s ILE 72 Ca 0.00 0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.21 1rqm s ILE 72 Cb 0.00 -3.06 -0.10 0.00 1.25 0.00 0.00 42.46 40.55 1rqm s ILE 72 CO 0.00 0.00 1.36 -2.16 0.24 0.00 0.00 174.94 174.38 1rqm s PRO 73 N -2.78 4.34 -0.00 0.37 0.04 -1.26 -4.75 135.00 130.96 1rqm s PRO 73 Ca 0.68 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.92 1rqm s PRO 73 Cb -0.40 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 1rqm s PRO 73 CO 0.49 -0.30 -0.09 0.99 0.04 0.00 0.00 177.00 178.13 1rqm s THR 74 N -0.13 0.68 -0.31 1.26 2.01 -0.57 -0.75 115.64 117.83 1rqm s THR 74 Ca 0.56 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 1rqm s THR 74 Cb -0.39 -0.58 0.10 0.00 0.01 0.00 0.00 72.50 71.64 1rqm s THR 74 CO 0.42 0.16 0.12 -0.22 -0.69 0.00 0.00 174.62 174.42 1rqm s LEU 75 N -0.29 1.48 -0.15 4.42 0.20 -0.00 -0.21 118.68 124.13 1rqm s LEU 75 Ca 0.03 -1.56 -0.15 0.00 0.69 0.00 0.00 54.13 53.14 1rqm s LEU 75 Cb -0.04 -0.63 -0.05 0.00 -0.43 0.00 0.00 46.19 45.05 1rqm s LEU 75 CO -0.00 -0.42 0.34 -0.63 -0.29 0.00 0.00 176.35 175.35 1rqm s ILE 76 N 1.75 5.27 -0.22 6.68 1.01 -1.08 -0.35 121.20 134.27 1rqm s ILE 76 Ca 0.10 0.64 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 1rqm s ILE 76 Cb -0.17 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1rqm s ILE 76 CO -0.28 0.38 0.49 -0.22 0.00 0.00 0.00 174.94 175.32 1rqm s LEU 77 N 0.43 4.12 0.08 2.97 0.20 -0.10 -1.07 118.68 125.31 1rqm s LEU 77 Ca 0.19 0.60 0.07 0.00 0.69 0.00 0.00 54.13 55.67 1rqm s LEU 77 Cb -0.14 -2.65 -0.04 0.00 -0.43 0.00 0.00 46.19 42.93 1rqm s LEU 77 CO 0.06 -0.19 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.45 1rqm s PHE 78 N 1.75 2.69 0.04 5.38 0.40 0.40 -1.51 117.98 127.13 1rqm s PHE 78 Ca 0.22 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 56.20 1rqm s PHE 78 Cb -0.15 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 41.97 1rqm s PHE 78 CO 0.09 0.38 0.39 -1.59 0.70 0.00 0.00 175.22 175.19 1rqm s LYS 79 N -1.97 0.89 -0.64 0.44 -2.85 -0.80 -1.36 119.74 113.45 1rqm s LYS 79 Ca 0.19 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.77 1rqm s LYS 79 Cb -0.11 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1rqm s LYS 79 CO 0.11 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1rqm n GLY 80 N 0.53 0.58 0.32 0.59 0.00 0.19 -0.95 105.19 106.44 1rqm n GLY 80 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.13 0.91 2.86 -0.02 0.00 -1.25 -4.72 105.19 103.09 1rqm n GLY 81 Ca -0.06 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.53 0.73 -1.05 1.61 2.12 -0.13 -4.95 118.70 116.51 1rqm s GLU 82 Ca 0.00 -0.05 -0.23 0.00 0.36 0.00 0.00 54.97 55.06 1rqm s GLU 82 Cb 0.00 -0.82 0.01 0.00 0.26 0.00 0.00 34.13 33.58 1rqm s GLU 82 CO 0.00 -0.13 1.70 -1.25 -0.54 0.00 0.00 175.26 175.04 1rqm s PRO 83 N 1.11 3.23 0.30 4.30 0.04 -1.26 -1.90 135.00 140.81 1rqm s PRO 83 Ca -0.08 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 59.94 1rqm s PRO 83 Cb -0.14 -5.29 0.46 0.00 0.04 0.00 0.00 34.50 29.57 1rqm s PRO 83 CO -0.01 -2.76 1.84 -0.39 0.04 0.00 0.00 177.00 175.72 1rqm h VAL 84 N 6.67 1.22 -3.38 -0.36 -1.51 -1.60 -3.45 116.25 113.83 1rqm h VAL 84 Ca 0.21 -0.80 -0.02 0.00 -1.23 0.00 0.00 66.70 64.86 1rqm h VAL 84 Cb 0.98 0.74 -0.09 0.00 -2.13 0.00 0.00 31.29 30.79 1rqm h VAL 84 CO 1.35 0.29 0.00 -1.59 -1.23 0.00 0.00 177.57 176.39 1rqm s LYS 85 N -5.15 1.48 -0.03 5.19 -2.85 -1.22 -5.05 119.74 112.11 1rqm s LYS 85 Ca -0.09 -1.01 0.02 0.00 -1.00 0.00 0.00 55.97 53.88 1rqm s LYS 85 Cb 0.15 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.45 1rqm s LYS 85 CO 0.79 -0.63 -0.05 -1.14 0.10 0.00 0.00 175.35 174.42 1rqm s GLN 86 N -3.93 0.69 0.08 1.78 0.74 -1.26 -0.92 119.66 116.84 1rqm s GLN 86 Ca 0.14 -0.16 0.03 0.00 0.05 0.00 0.00 55.36 55.42 1rqm s GLN 86 Cb -0.01 -0.69 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 1rqm s GLN 86 CO 0.02 0.02 0.05 -0.51 -0.55 0.00 0.00 175.29 174.32 1rqm s LEU 87 N 0.46 3.70 -0.02 3.68 2.01 0.53 -4.98 118.68 124.05 1rqm s LEU 87 Ca -0.06 -0.05 -0.05 0.00 0.01 0.00 0.00 54.13 53.98 1rqm s LEU 87 Cb -0.10 -2.38 0.00 0.00 0.01 0.00 0.00 46.19 43.73 1rqm s LEU 87 CO 0.00 0.18 0.11 0.27 1.01 0.00 0.00 176.35 177.92 1rqm s ILE 88 N -1.35 0.04 0.16 -0.59 -4.36 -1.26 -0.82 121.20 113.01 1rqm s ILE 88 Ca 0.28 -0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 1rqm s ILE 88 Cb -0.12 -0.26 0.00 0.00 1.25 0.00 0.00 42.46 43.33 1rqm s ILE 88 CO 0.20 -0.17 0.00 0.61 0.24 0.00 0.00 174.94 175.82 1rqm n GLY 89 N 2.38 -2.20 3.23 6.27 0.00 0.07 -4.61 105.19 110.32 1rqm n GLY 89 Ca -0.17 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.06 2.65 -2.50 1.61 9.36 -1.26 -4.84 117.16 119.12 1rqm n TYR 90 Ca -0.01 -2.00 -0.41 0.00 3.32 0.00 0.00 57.90 58.80 1rqm n TYR 90 Cb 0.21 -2.18 -0.04 0.00 -0.63 0.00 0.00 39.34 36.70 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 5.05 4.59 0.91 2.98 -1.52 -1.26 -5.05 119.66 125.35 1rqm s GLN 91 Ca 0.58 1.73 -0.12 0.00 -1.95 0.00 0.00 55.36 55.61 1rqm s GLN 91 Cb 0.09 -3.27 0.14 0.00 -0.22 0.00 0.00 33.01 29.75 1rqm s GLN 91 CO 0.09 0.07 1.09 -1.25 -0.25 0.00 0.00 175.29 175.05 1rqm s PRO 92 N -0.43 1.17 0.19 2.91 0.04 -1.26 -4.69 135.00 132.93 1rqm s PRO 92 Ca 0.49 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.10 1rqm s PRO 92 Cb -0.30 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1rqm s PRO 92 CO 0.35 -2.28 1.64 0.87 0.04 0.00 0.00 177.00 177.62 1rqm h LYS 93 N -1.57 -0.04 -0.84 4.56 1.79 -1.97 -0.39 116.57 118.11 1rqm h LYS 93 Ca -0.50 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.16 1rqm h LYS 93 Cb 1.29 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.90 1rqm h LYS 93 CO 0.56 -0.03 0.56 1.49 -1.08 0.00 0.00 179.45 180.96 1rqm h GLU 94 N -0.04 0.31 0.05 3.15 4.81 -1.98 0.19 114.58 121.06 1rqm h GLU 94 Ca 0.24 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1rqm h GLU 94 Cb 0.40 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1rqm h GLU 94 CO -0.53 0.21 -0.72 0.37 -0.73 0.00 0.00 179.01 177.60 1rqm h GLN 95 N 0.32 0.10 0.66 1.92 -0.00 -1.49 -3.18 115.11 113.45 1rqm h GLN 95 Ca 0.42 -0.17 -0.03 0.00 -0.00 0.00 0.00 58.65 58.87 1rqm h GLN 95 Cb 1.15 0.06 0.01 0.00 0.00 0.00 0.00 27.48 28.70 1rqm h GLN 95 CO -0.13 1.08 -0.32 1.25 0.00 0.00 0.00 178.83 180.72 1rqm h LEU 96 N -0.76 -0.75 -1.65 -2.39 6.46 -0.39 0.31 115.31 116.14 1rqm h LEU 96 Ca -0.17 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.72 1rqm h LEU 96 Cb 1.33 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.42 1rqm h LEU 96 CO -0.01 -0.51 0.43 -0.33 -0.62 0.00 0.00 178.44 177.40 1rqm h GLU 97 N -0.94 0.37 0.01 1.25 4.39 -0.86 0.12 114.58 118.92 1rqm h GLU 97 Ca -0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1rqm h GLU 97 Cb 0.70 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1rqm h GLU 97 CO 0.15 0.25 -0.00 0.00 -1.16 0.00 0.00 179.01 178.24 1rqm h ALA 98 N 1.68 -0.01 -0.90 3.43 0.00 -1.40 -2.23 119.26 119.84 1rqm h ALA 98 Ca 0.30 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rqm h ALA 98 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1rqm h ALA 98 CO -0.08 -0.13 0.60 0.37 0.00 0.00 0.00 179.25 180.00 1rqm h GLN 99 N -0.75 1.17 -0.01 0.00 5.75 0.16 -2.21 115.11 119.22 1rqm h GLN 99 Ca -0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1rqm h GLN 99 Cb 0.73 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1rqm h GLN 99 CO 0.00 0.77 -0.00 -0.11 -2.65 0.00 0.00 178.83 176.84 1rqm n LEU 100 N -4.47 0.88 0.00 -2.39 7.94 0.36 -4.46 117.00 114.86 1rqm n LEU 100 Ca 0.10 -0.29 0.22 0.00 -1.11 0.00 0.00 56.01 54.94 1rqm n LEU 100 Cb 0.03 -0.00 0.73 0.00 0.53 0.00 0.00 43.42 44.71 1rqm n LEU 100 CO 0.36 0.15 1.20 0.00 -1.11 0.00 0.00 177.39 177.99 1rqm h ALA 101 N 4.21 2.38 0.00 1.96 0.00 -0.74 -0.30 119.26 126.75 1rqm h ALA 101 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rqm h ALA 101 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rqm h ALA 101 CO 0.00 -0.79 0.00 -0.40 0.00 0.00 0.00 179.25 178.06 1rqm n ASP 102 N -3.95 0.00 0.00 0.00 5.75 -1.26 -0.17 116.55 116.92 1rqm n ASP 102 Ca 0.11 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1rqm n ASP 102 Cb 0.72 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 1rqm n ASP 102 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1rqm n VAL 103 N -0.99 0.21 0.52 2.12 3.14 -0.13 -4.78 118.33 118.42 1rqm n VAL 103 Ca 0.06 -0.36 0.08 0.00 -2.96 0.00 0.00 64.34 61.17 1rqm n VAL 103 Cb 0.03 1.19 -0.11 0.00 -1.06 0.00 0.00 33.84 33.88 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1rqm n LEU 104 N -0.10 0.52 0.00 6.55 7.99 -0.28 -4.92 117.00 126.75 1rqm n LEU 104 Ca 0.00 -0.32 0.05 0.00 -0.01 0.00 0.00 56.01 55.73 1rqm n LEU 104 Cb 0.23 0.00 0.28 0.00 -0.11 0.00 0.00 43.42 43.81 1rqm n LEU 104 CO 0.00 0.13 0.50 1.67 -1.51 0.00 0.00 177.39 178.18