#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 -0.82 -3.89 0.00 -1.04 -1.26 -4.98 114.28 102.29 1rqm n THR 2 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1rqm n THR 2 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1rqm n THR 2 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1rqm s MET 3 N -5.76 1.81 0.81 -2.82 -2.45 -1.24 -5.04 119.30 104.62 1rqm s MET 3 Ca 0.00 -1.16 -0.11 0.00 -1.25 0.00 0.00 55.69 53.17 1rqm s MET 3 Cb 0.00 0.57 0.08 0.00 1.25 0.00 0.00 34.83 36.73 1rqm s MET 3 CO 0.00 -0.81 1.09 0.99 1.05 0.00 0.00 175.02 177.33 1rqm s THR 4 N -3.64 3.13 0.16 10.11 2.01 -1.26 -2.56 115.64 123.59 1rqm s THR 4 Ca 0.15 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.53 1rqm s THR 4 Cb -0.04 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1rqm s THR 4 CO 0.09 -0.48 0.03 -0.22 -0.69 0.00 0.00 174.62 173.35 1rqm s LEU 5 N -5.97 1.96 0.25 4.42 2.96 -0.28 -4.68 118.68 117.34 1rqm s LEU 5 Ca 0.62 -1.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1rqm s LEU 5 Cb -0.17 0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.59 1rqm s LEU 5 CO 0.56 -0.64 0.34 0.42 -1.32 0.00 0.00 176.35 175.71 1rqm s THR 6 N -3.81 0.00 0.12 3.68 -4.23 -1.26 -4.59 115.64 105.54 1rqm s THR 6 Ca 0.25 -1.70 -0.29 0.00 -1.18 0.00 0.00 61.69 58.77 1rqm s THR 6 Cb 0.07 -2.42 -0.10 0.00 1.34 0.00 0.00 72.50 71.39 1rqm s THR 6 CO 0.04 0.00 1.48 0.44 -0.54 0.00 0.00 174.62 176.04 1rqm h ASP 7 N 2.35 -1.67 -0.14 3.99 5.19 -1.91 0.16 116.42 124.39 1rqm h ASP 7 Ca -0.30 0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1rqm h ASP 7 Cb 1.25 0.69 -0.01 0.00 0.18 0.00 0.00 39.33 41.43 1rqm h ASP 7 CO 0.42 -0.35 0.07 0.00 -3.12 0.00 0.00 179.24 176.27 1rqm h ALA 8 N -0.16 1.78 0.00 3.45 0.00 -2.01 0.20 119.26 122.52 1rqm h ALA 8 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rqm h ALA 8 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rqm h ALA 8 CO -0.55 0.18 0.00 -0.91 0.00 0.00 0.00 179.25 177.97 1rqm h ASN 9 N 0.25 0.00 0.54 0.00 2.35 -1.51 -2.73 115.58 114.49 1rqm h ASN 9 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1rqm h ASN 9 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1rqm h ASN 9 CO -0.01 0.00 -0.49 0.15 -1.65 0.00 0.00 177.43 175.43 1rqm h PHE 10 N 0.00 -1.35 -0.49 1.19 3.04 0.14 0.14 116.94 119.61 1rqm h PHE 10 Ca 0.00 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.98 1rqm h PHE 10 Cb 0.87 0.52 -0.03 0.00 2.56 0.00 0.00 35.95 39.86 1rqm h PHE 10 CO 0.00 -0.67 0.29 1.96 -2.02 0.00 0.00 178.31 177.88 1rqm h GLN 11 N -1.02 0.57 -0.73 1.11 4.20 -1.61 0.55 115.11 118.18 1rqm h GLN 11 Ca -0.07 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.69 1rqm h GLN 11 Cb 0.87 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1rqm h GLN 11 CO -0.03 0.38 0.48 0.37 -0.67 0.00 0.00 178.83 179.35 1rqm h GLN 12 N 0.58 0.67 0.31 1.46 4.15 -1.19 -1.59 115.11 119.51 1rqm h GLN 12 Ca 0.20 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1rqm h GLN 12 Cb 0.02 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1rqm h GLN 12 CO -0.09 0.45 -0.15 0.00 -1.93 0.00 0.00 178.83 177.11 1rqm h ALA 13 N 1.62 -0.44 0.00 3.38 0.00 -0.30 -3.37 119.26 120.15 1rqm h ALA 13 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1rqm h ALA 13 Cb 0.37 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rqm h ALA 13 CO -0.11 -0.41 0.00 0.44 0.00 0.00 0.00 179.25 179.17 1rqm n ILE 14 N -4.85 0.27 -0.34 0.00 -5.35 0.15 -4.28 119.36 104.96 1rqm n ILE 14 Ca -0.05 0.07 0.28 0.00 -0.27 0.00 0.00 62.75 62.77 1rqm n ILE 14 Cb 0.16 -0.84 0.53 0.00 -1.74 0.00 0.00 39.64 37.75 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 0.18 0.00 6.28 3.07 -1.47 -3.28 115.11 119.89 1rqm h GLN 15 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1rqm h GLN 15 Cb 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.57 1rqm h GLN 15 CO 0.00 0.12 0.00 0.41 0.09 0.00 0.00 178.83 179.45 1rqm n GLY 16 N -1.29 -2.29 5.00 0.06 0.00 -1.26 -3.78 105.19 101.62 1rqm n GLY 16 Ca 0.35 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 3.00 0.00 -4.88 1.61 2.03 -1.26 -4.54 116.55 112.50 1rqm n ASP 17 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1rqm n ASP 17 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1rqm n ASP 17 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1rqm s GLY 18 N 0.00 2.20 -0.96 0.27 0.00 -1.26 -4.20 107.32 103.36 1rqm s GLY 18 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 1rqm s GLY 18 CO 0.00 -0.22 1.88 2.56 0.00 0.00 0.00 173.10 177.32 1rqm s PRO 19 N -2.94 2.70 0.24 2.90 0.04 -1.26 -4.04 135.00 132.65 1rqm s PRO 19 Ca 0.46 -0.54 -0.11 0.00 0.04 0.00 0.00 61.00 60.85 1rqm s PRO 19 Cb -0.11 -5.13 -0.08 0.00 0.04 0.00 0.00 34.50 29.22 1rqm s PRO 19 CO 0.23 -3.30 0.59 0.08 0.04 0.00 0.00 177.00 174.64 1rqm s VAL 20 N 9.50 4.86 0.17 -0.36 1.01 -0.49 -2.37 120.40 132.73 1rqm s VAL 20 Ca 0.67 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 1rqm s VAL 20 Cb -0.05 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1rqm s VAL 20 CO 0.00 -0.07 0.13 -1.48 0.00 0.00 0.00 175.10 173.68 1rqm s LEU 21 N -2.78 1.36 -0.05 3.92 2.34 0.05 -0.23 118.68 123.28 1rqm s LEU 21 Ca 0.48 -1.26 0.04 0.00 0.06 0.00 0.00 54.13 53.45 1rqm s LEU 21 Cb -0.11 0.46 -0.00 0.00 -0.56 0.00 0.00 46.19 45.98 1rqm s LEU 21 CO 0.20 -0.81 -0.17 -0.69 -1.06 0.00 0.00 176.35 173.82 1rqm s VAL 22 N -4.09 1.40 -0.59 1.48 1.01 -0.58 -1.68 120.40 117.34 1rqm s VAL 22 Ca 0.31 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1rqm s VAL 22 Cb 0.07 -1.21 0.11 0.00 0.00 0.00 0.00 36.38 35.35 1rqm s VAL 22 CO 0.07 0.41 0.67 -0.62 0.00 0.00 0.00 175.10 175.63 1rqm s ASP 23 N 0.13 6.20 -0.40 3.32 -1.08 0.43 -3.13 116.67 122.14 1rqm s ASP 23 Ca -0.06 -1.53 -0.24 0.00 -0.52 0.00 0.00 52.55 50.21 1rqm s ASP 23 Cb -0.12 -2.29 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 1rqm s ASP 23 CO 0.03 -1.06 0.83 -0.36 0.52 0.00 0.00 175.17 175.12 1rqm s PHE 24 N 2.45 3.05 0.41 -5.34 0.08 -0.05 -0.91 117.98 117.67 1rqm s PHE 24 Ca 0.10 0.48 0.03 0.00 0.12 0.00 0.00 56.93 57.67 1rqm s PHE 24 Cb -0.25 -3.59 -0.03 0.00 -0.57 0.00 0.00 43.02 38.58 1rqm s PHE 24 CO 0.05 -0.86 0.10 1.67 -0.10 0.00 0.00 175.22 176.08 1rqm s TRP 25 N 3.31 1.83 -0.02 0.36 1.48 -0.83 -1.44 118.94 123.64 1rqm s TRP 25 Ca 0.33 -1.18 -0.11 0.00 -1.06 0.00 0.00 56.10 54.08 1rqm s TRP 25 Cb -0.12 -1.24 0.01 0.00 -1.16 0.00 0.00 33.47 30.96 1rqm s TRP 25 CO 0.20 -0.17 0.24 0.00 -4.06 0.00 0.00 176.95 173.16 1rqm s ALA 26 N -3.18 -0.60 0.56 2.67 0.00 -1.26 -0.24 121.76 119.71 1rqm s ALA 26 Ca 0.24 0.19 0.31 0.00 0.00 0.00 0.00 51.96 52.70 1rqm s ALA 26 Cb 0.03 0.04 1.82 0.00 0.00 0.00 0.00 23.12 25.02 1rqm s ALA 26 CO 0.13 -0.23 2.23 0.00 0.00 0.00 0.00 175.76 177.90 1rqm h ALA 27 N 4.19 1.41 -0.01 0.00 0.00 -1.98 -2.80 119.26 120.07 1rqm h ALA 27 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rqm h ALA 27 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rqm h ALA 27 CO 0.40 0.03 -0.61 -2.67 0.00 0.00 0.00 179.25 176.39 1rqm n TRP 28 N -3.70 0.00 -0.90 0.00 2.14 -1.26 -5.05 117.44 108.66 1rqm n TRP 28 Ca -0.03 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.26 1rqm n TRP 28 Cb 0.11 0.00 0.21 0.00 -0.81 0.00 0.00 31.31 30.83 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 -0.28 0.51 0.29 0.00 0.00 -1.26 -4.64 105.19 99.80 1rqm n GLY 30 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.97 -1.39 132.00 130.37 1rqm h PRO 31 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 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 0.05 -0.11 0.00 -0.23 0.00 0.00 178.00 177.71 1rqm h ARG 33 N 0.00 0.00 0.03 0.00 2.43 -1.51 0.13 114.38 115.47 1rqm h ARG 33 Ca -0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 1rqm h ARG 33 Cb 0.28 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1rqm h ARG 33 CO 0.01 0.00 -2.35 -1.33 -1.51 0.00 0.00 179.97 174.80 1rqm n MET 34 N -2.64 0.68 -0.10 0.20 2.81 -0.41 -4.44 117.12 113.22 1rqm n MET 34 Ca 0.02 0.18 -0.11 0.00 -1.81 0.00 0.00 57.70 55.98 1rqm n MET 34 Cb 0.30 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.02 0.55 -0.61 0.03 1.85 -0.72 -1.84 114.93 114.21 1rqm h MET 35 Ca -0.54 -0.19 0.06 0.00 -0.61 0.00 0.00 59.70 58.42 1rqm h MET 35 Cb 1.94 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 33.88 1rqm h MET 35 CO -0.04 0.72 0.31 0.00 -0.40 0.00 0.00 176.91 177.50 1rqm h ALA 36 N 0.81 0.80 -0.37 0.39 0.00 -0.97 0.49 119.26 120.41 1rqm h ALA 36 Ca 0.08 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1rqm h ALA 36 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rqm h ALA 36 CO 0.02 -0.04 -0.34 -1.00 0.00 0.00 0.00 179.25 177.89 1rqm h PRO 37 N 0.58 0.84 -0.36 0.00 0.13 -1.77 -2.78 132.00 128.63 1rqm h PRO 37 Ca 0.28 -0.41 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1rqm h PRO 37 Cb 0.21 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 1rqm h PRO 37 CO -0.20 1.05 0.13 -0.24 -0.23 0.00 0.00 178.00 178.51 1rqm h VAL 38 N 0.70 1.15 0.00 1.56 3.04 -0.28 -0.30 116.25 122.12 1rqm h VAL 38 Ca 0.07 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1rqm h VAL 38 Cb 0.90 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1rqm h VAL 38 CO 0.08 0.18 0.00 0.18 -1.01 0.00 0.00 177.57 177.00 1rqm n LEU 39 N -4.38 0.49 0.12 3.16 4.77 0.16 -2.75 117.00 118.57 1rqm n LEU 39 Ca 0.02 0.60 -0.19 0.00 -0.03 0.00 0.00 56.01 56.41 1rqm n LEU 39 Cb 0.15 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 1rqm n LEU 39 CO 0.37 -0.36 -0.13 -0.08 -1.33 0.00 0.00 177.39 175.86 1rqm h GLU 40 N 0.00 0.36 -0.56 3.23 4.57 -0.75 0.22 114.58 121.65 1rqm h GLU 40 Ca 0.00 -0.61 -0.03 0.00 -1.18 0.00 0.00 59.36 57.54 1rqm h GLU 40 Cb 0.43 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1rqm h GLU 40 CO 0.00 1.29 0.24 0.93 -1.18 0.00 0.00 179.01 180.29 1rqm h GLU 41 N 0.10 0.82 -0.45 1.92 5.08 -1.46 -0.43 114.58 120.16 1rqm h GLU 41 Ca -0.18 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1rqm h GLU 41 Cb 2.04 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.12 1rqm h GLU 41 CO 0.23 0.70 0.26 0.35 -1.00 0.00 0.00 179.01 179.54 1rqm h PHE 42 N 0.76 0.48 -0.32 4.33 3.04 -1.49 0.22 116.94 123.95 1rqm h PHE 42 Ca 0.19 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.21 1rqm h PHE 42 Cb 0.17 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.48 1rqm h PHE 42 CO 0.00 0.27 0.01 0.00 -2.02 0.00 0.00 178.31 176.57 1rqm h ALA 43 N 1.21 0.29 0.32 2.41 0.00 -0.08 -2.81 119.26 120.61 1rqm h ALA 43 Ca 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1rqm h ALA 43 Cb 0.04 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rqm h ALA 43 CO -0.10 -0.40 -0.15 1.49 0.00 0.00 0.00 179.25 180.09 1rqm h GLU 44 N 0.10 -0.42 0.00 0.00 4.22 -0.88 -2.32 114.58 115.28 1rqm h GLU 44 Ca 0.15 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1rqm h GLU 44 Cb 0.20 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1rqm h GLU 44 CO -0.25 -0.27 0.03 0.00 -2.18 0.00 0.00 179.01 176.34 1rqm h ALA 45 N 0.23 1.03 -0.34 2.92 0.00 -0.68 -0.36 119.26 122.07 1rqm h ALA 45 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1rqm h ALA 45 Cb 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.76 1rqm h ALA 45 CO 0.07 -0.03 -1.03 -2.39 0.00 0.00 0.00 179.25 175.87 1rqm n HIS 46 N -3.02 0.83 0.03 0.00 1.44 -1.22 -4.94 115.22 108.33 1rqm n HIS 46 Ca -0.03 -1.92 0.00 0.00 -2.01 0.00 0.00 57.72 53.77 1rqm n HIS 46 Cb 0.10 -0.06 0.02 0.00 0.12 0.00 0.00 29.99 30.17 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 -0.57 1.10 -0.10 1.59 0.00 -0.15 -1.97 120.51 120.42 1rqm n ALA 47 Ca 0.04 -0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 1rqm n ALA 47 Cb 0.84 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.43 1.86 0.22 0.00 5.75 -1.26 -0.12 116.55 121.57 1rqm n ASP 48 Ca 0.00 0.47 0.08 0.00 -0.01 0.00 0.00 54.79 55.33 1rqm n ASP 48 Cb 0.01 -0.90 0.51 0.00 -1.03 0.00 0.00 41.12 39.71 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 -1.00 0.00 -4.48 0.11 3.64 -1.83 -3.46 116.57 109.54 1rqm h LYS 49 Ca -0.26 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.88 1rqm h LYS 49 Cb 1.08 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.76 1rqm h LYS 49 CO -0.16 0.25 -0.53 0.14 -2.27 0.00 0.00 179.45 176.88 1rqm s VAL 50 N -3.96 0.00 -0.07 2.00 -7.23 -0.83 -4.76 120.40 105.55 1rqm s VAL 50 Ca -0.02 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1rqm s VAL 50 Cb 0.12 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1rqm s VAL 50 CO 0.65 0.00 -0.14 0.28 -0.31 0.00 0.00 175.10 175.58 1rqm s THR 51 N -4.05 1.27 0.65 5.32 -1.32 -1.00 -4.46 115.64 112.05 1rqm s THR 51 Ca 0.37 -0.56 -0.01 0.00 -1.21 0.00 0.00 61.69 60.27 1rqm s THR 51 Cb 0.05 -1.14 0.08 0.00 -1.51 0.00 0.00 72.50 69.98 1rqm s THR 51 CO 0.13 0.38 0.91 0.54 -2.21 0.00 0.00 174.62 174.38 1rqm s VAL 52 N 0.57 2.38 0.02 5.08 0.11 -1.26 -0.77 120.40 126.53 1rqm s VAL 52 Ca -0.14 -0.55 -0.16 0.00 -2.93 0.00 0.00 61.98 58.20 1rqm s VAL 52 Cb -0.16 -2.83 0.03 0.00 -1.53 0.00 0.00 36.38 31.89 1rqm s VAL 52 CO 0.04 0.00 0.35 0.00 -3.33 0.00 0.00 175.10 172.16 1rqm s ALA 53 N -3.02 -0.84 -0.07 1.54 0.00 -0.68 -3.62 121.76 115.08 1rqm s ALA 53 Ca 0.62 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1rqm s ALA 53 Cb -0.08 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1rqm s ALA 53 CO 0.42 -0.38 -0.12 0.15 0.00 0.00 0.00 175.76 175.83 1rqm s LYS 54 N -2.15 2.76 -0.05 0.00 1.02 -1.06 -0.43 119.74 119.83 1rqm s LYS 54 Ca -0.08 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.11 1rqm s LYS 54 Cb -0.02 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.83 1rqm s LYS 54 CO -0.01 0.54 0.33 -0.48 -0.92 0.00 0.00 175.35 174.81 1rqm s LEU 55 N -0.49 0.76 -0.46 3.17 0.05 -0.09 -1.13 118.68 120.49 1rqm s LEU 55 Ca 0.07 0.29 -0.29 0.00 0.05 0.00 0.00 54.13 54.25 1rqm s LEU 55 Cb -0.12 1.28 0.02 0.00 -2.05 0.00 0.00 46.19 45.32 1rqm s LEU 55 CO 0.02 -0.35 1.21 0.21 -0.55 0.00 0.00 176.35 176.89 1rqm s ASN 56 N -0.85 6.56 0.29 1.48 2.47 -1.26 -1.97 114.94 121.65 1rqm s ASN 56 Ca -0.09 0.57 -0.01 0.00 0.42 0.00 0.00 52.86 53.75 1rqm s ASN 56 Cb -0.04 -2.55 0.42 0.00 -1.45 0.00 0.00 41.25 37.63 1rqm s ASN 56 CO 0.03 -1.30 1.86 1.62 -3.72 0.00 0.00 177.10 175.59 1rqm h VAL 57 N 6.29 1.22 -0.44 -5.21 3.04 -0.92 -2.18 116.25 118.04 1rqm h VAL 57 Ca -0.24 -0.72 -0.12 0.00 -1.01 0.00 0.00 66.70 64.60 1rqm h VAL 57 Cb 1.07 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 1rqm h VAL 57 CO 1.12 0.28 -0.21 -0.78 -1.01 0.00 0.00 177.57 176.97 1rqm h ASP 58 N 0.84 0.90 1.04 3.17 3.58 -1.92 -2.84 116.42 121.18 1rqm h ASP 58 Ca 0.19 -0.33 -0.13 0.00 0.42 0.00 0.00 57.03 57.19 1rqm h ASP 58 Cb 0.21 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1rqm h ASP 58 CO -0.01 1.08 -0.60 -0.08 -2.88 0.00 0.00 179.24 176.75 1rqm h GLU 59 N 0.77 0.00 -3.01 0.28 4.81 -1.91 -3.40 114.58 112.12 1rqm h GLU 59 Ca 0.11 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.69 1rqm h GLU 59 Cb 0.75 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.73 1rqm h GLU 59 CO 0.06 0.60 -0.39 0.09 -0.73 0.00 0.00 179.01 178.64 1rqm n ASN 60 N -3.44 3.60 0.00 1.04 3.02 -0.84 -4.92 115.26 113.72 1rqm n ASN 60 Ca 0.00 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.32 1rqm n ASN 60 Cb 0.69 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1rqm n ASN 60 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1rqm n PRO 61 N 1.86 0.00 0.00 3.52 -0.04 -1.26 -4.59 135.00 134.49 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 0.36 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 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 -0.08 0.00 0.00 0.54 0.28 -1.26 -0.31 120.64 119.82 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 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 0.00 -0.40 3.84 -1.04 -1.26 -4.94 114.28 110.48 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 0.03 -0.10 0.00 -1.82 0.00 0.00 70.33 68.44 1rqm n THR 63 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1rqm n THR 64 N 0.00 -0.65 0.33 12.58 -1.04 0.58 -1.02 114.28 125.06 1rqm n THR 64 Ca 0.00 2.37 0.15 0.00 -2.04 0.00 0.00 64.05 64.53 1rqm n THR 64 Cb 0.07 -2.94 0.64 0.00 -1.82 0.00 0.00 70.33 66.27 1rqm n THR 64 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1rqm h SER 65 N 0.00 0.00 0.81 8.00 0.87 -1.83 -0.65 113.55 120.74 1rqm h SER 65 Ca 0.15 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.52 1rqm h SER 65 Cb 0.39 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1rqm h SER 65 CO -0.90 0.00 -0.91 -0.61 -0.53 0.00 0.00 176.83 173.88 1rqm h GLN 66 N 0.00 0.06 -0.49 2.24 5.75 -1.44 -3.12 115.11 118.12 1rqm h GLN 66 Ca 0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1rqm h GLN 66 Cb 0.38 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1rqm h GLN 66 CO 0.00 0.93 0.00 1.19 -2.65 0.00 0.00 178.83 178.30 1rqm n PHE 67 N -3.52 0.65 -1.60 3.99 3.01 -0.92 -4.93 117.46 114.14 1rqm n PHE 67 Ca -0.02 -0.33 -0.12 0.00 1.01 0.00 0.00 57.45 58.00 1rqm n PHE 67 Cb 0.85 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.28 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqm n GLY 68 N 1.30 0.90 3.37 1.37 0.00 -1.08 -4.90 105.19 106.16 1rqm n GLY 68 Ca 0.17 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.04 3.48 -0.10 -0.61 2.08 -0.30 -4.16 119.36 116.71 1rqm n ILE 69 Ca -0.13 -3.48 0.00 0.00 0.56 0.00 0.00 62.75 59.70 1rqm n ILE 69 Cb 0.46 -2.38 0.00 0.00 -0.75 0.00 0.00 39.64 36.96 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 7.82 0.89 -0.81 0.38 1.56 -1.26 -4.66 117.12 121.03 1rqm n MET 70 Ca 0.49 -0.32 -0.09 0.00 -0.27 0.00 0.00 57.70 57.51 1rqm n MET 70 Cb 0.44 -0.80 -0.04 0.00 2.15 0.00 0.00 33.22 34.97 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 -0.22 5.65 -4.77 6.12 3.41 -1.26 -4.97 113.62 117.58 1rqm n SER 71 Ca 0.00 -2.63 -0.37 0.00 -0.26 0.00 0.00 58.87 55.60 1rqm n SER 71 Cb 0.03 -1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 62.76 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 -0.39 3.14 0.07 -1.33 -0.00 -1.26 -3.73 121.20 117.69 1rqm s ILE 72 Ca 0.30 0.88 -0.31 0.00 -0.00 0.00 0.00 60.65 61.52 1rqm s ILE 72 Cb 0.17 -3.46 -0.07 0.00 -0.00 0.00 0.00 42.46 39.10 1rqm s ILE 72 CO -0.02 0.01 1.47 -2.16 -0.00 0.00 0.00 174.94 174.24 1rqm s PRO 73 N -2.60 4.27 0.09 0.37 0.04 -1.26 -4.61 135.00 131.30 1rqm s PRO 73 Ca 0.62 2.12 0.09 0.00 0.04 0.00 0.00 61.00 63.87 1rqm s PRO 73 Cb -0.29 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1rqm s PRO 73 CO 0.35 -0.58 -0.19 0.99 0.04 0.00 0.00 177.00 177.61 1rqm s THR 74 N 1.96 2.72 -0.04 1.26 2.01 -0.52 -0.95 115.64 122.09 1rqm s THR 74 Ca 0.67 -1.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1rqm s THR 74 Cb -0.36 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 69.97 1rqm s THR 74 CO 0.29 0.19 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.20 1rqm s LEU 75 N -1.85 0.96 0.00 4.42 0.20 0.03 -0.87 118.68 121.58 1rqm s LEU 75 Ca 0.16 -0.04 0.05 0.00 0.69 0.00 0.00 54.13 54.98 1rqm s LEU 75 Cb -0.10 -0.30 -0.01 0.00 -0.43 0.00 0.00 46.19 45.34 1rqm s LEU 75 CO 0.08 -0.13 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.23 1rqm s ILE 76 N 1.33 1.17 -0.04 6.68 1.01 -1.18 -0.35 121.20 129.81 1rqm s ILE 76 Ca -0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 1rqm s ILE 76 Cb -0.13 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 1rqm s ILE 76 CO -0.02 0.25 0.01 -0.76 0.00 0.00 0.00 174.94 174.42 1rqm s LEU 77 N -0.57 3.60 0.05 2.97 1.02 -0.27 -1.52 118.68 123.95 1rqm s LEU 77 Ca 0.05 0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.31 1rqm s LEU 77 Cb -0.06 -1.96 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 1rqm s LEU 77 CO -0.00 0.32 -0.09 -0.36 0.02 0.00 0.00 176.35 176.24 1rqm s PHE 78 N -1.01 0.81 0.19 0.29 0.40 0.68 -0.78 117.98 118.56 1rqm s PHE 78 Ca 0.17 -0.49 -0.23 0.00 -0.60 0.00 0.00 56.93 55.78 1rqm s PHE 78 Cb -0.11 -0.47 0.05 0.00 0.51 0.00 0.00 43.02 43.00 1rqm s PHE 78 CO 0.07 -0.05 0.67 -1.59 0.70 0.00 0.00 175.22 175.02 1rqm s LYS 79 N -1.64 1.43 0.00 0.44 0.00 -0.78 -1.39 119.74 117.80 1rqm s LYS 79 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 55.97 55.24 1rqm s LYS 79 Cb -0.10 0.58 0.00 0.00 0.00 0.00 0.00 37.83 38.31 1rqm s LYS 79 CO 0.01 -0.64 0.00 0.41 0.00 0.00 0.00 175.35 175.13 1rqm n GLY 80 N -0.40 0.00 0.50 0.59 0.00 -1.26 -0.86 105.19 103.76 1rqm n GLY 80 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.56 0.67 3.13 -0.02 0.00 -1.24 -4.74 105.19 103.55 1rqm n GLY 81 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.82 1.67 -0.20 1.61 2.12 -0.04 -4.97 118.70 118.07 1rqm s GLU 82 Ca 0.00 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 1rqm s GLU 82 Cb 0.00 -1.47 -0.02 0.00 0.26 0.00 0.00 34.13 32.90 1rqm s GLU 82 CO 0.00 0.25 1.44 -1.25 -0.54 0.00 0.00 175.26 175.16 1rqm s PRO 83 N -0.00 4.01 -0.11 4.30 0.04 -1.26 -1.86 135.00 140.11 1rqm s PRO 83 Ca -0.02 1.64 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1rqm s PRO 83 Cb -0.11 -3.91 -0.27 0.00 0.04 0.00 0.00 34.50 30.26 1rqm s PRO 83 CO 0.02 -1.01 0.63 -0.39 0.04 0.00 0.00 177.00 176.28 1rqm h VAL 84 N 5.82 1.27 -3.24 -0.36 -1.51 -1.31 -3.48 116.25 113.44 1rqm h VAL 84 Ca -0.30 -2.39 -0.01 0.00 -1.23 0.00 0.00 66.70 62.76 1rqm h VAL 84 Cb 1.13 2.89 -0.10 0.00 -2.13 0.00 0.00 31.29 33.07 1rqm h VAL 84 CO 0.99 0.63 0.07 -1.59 -1.23 0.00 0.00 177.57 176.44 1rqm s LYS 85 N -2.40 1.40 0.03 5.19 -2.85 -1.24 -5.03 119.74 114.85 1rqm s LYS 85 Ca -0.20 -0.82 0.02 0.00 -1.00 0.00 0.00 55.97 53.97 1rqm s LYS 85 Cb 0.02 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1rqm s LYS 85 CO 0.74 -0.60 -0.07 -1.14 0.10 0.00 0.00 175.35 174.38 1rqm s GLN 86 N -3.86 0.49 0.17 1.78 0.74 -1.26 -1.12 119.66 116.60 1rqm s GLN 86 Ca 0.08 -0.63 0.10 0.00 0.05 0.00 0.00 55.36 54.96 1rqm s GLN 86 Cb -0.01 -0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.77 1rqm s GLN 86 CO -0.03 0.06 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.03 1rqm s LEU 87 N -1.28 2.42 -0.02 3.68 2.01 0.53 -5.00 118.68 121.02 1rqm s LEU 87 Ca -0.08 -0.85 -0.02 0.00 0.01 0.00 0.00 54.13 53.20 1rqm s LEU 87 Cb -0.08 -1.03 0.01 0.00 0.01 0.00 0.00 46.19 45.10 1rqm s LEU 87 CO 0.00 0.06 0.05 0.27 1.01 0.00 0.00 176.35 177.75 1rqm s ILE 88 N -1.73 -0.01 0.00 -0.59 -4.36 -1.26 -0.79 121.20 112.46 1rqm s ILE 88 Ca 0.18 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.61 1rqm s ILE 88 Cb -0.07 -0.09 0.00 0.00 1.25 0.00 0.00 42.46 43.55 1rqm s ILE 88 CO 0.08 0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.89 1rqm n GLY 89 N 3.31 0.67 3.57 6.27 0.00 -0.12 -4.81 105.19 114.09 1rqm n GLY 89 Ca -0.16 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1rqm n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rqm s TYR 90 N -2.17 2.72 -0.01 1.61 5.04 -1.26 -4.79 117.35 118.49 1rqm s TYR 90 Ca 0.00 -1.36 -0.21 0.00 -2.44 0.00 0.00 57.07 53.06 1rqm s TYR 90 Cb 0.00 -4.72 -0.05 0.00 0.35 0.00 0.00 41.96 37.54 1rqm s TYR 90 CO 0.00 -1.84 0.60 -0.65 -1.34 0.00 0.00 175.55 172.32 1rqm s GLN 91 N 4.40 4.33 0.82 4.97 -1.52 -1.26 -5.08 119.66 126.32 1rqm s GLN 91 Ca 0.51 0.75 -0.10 0.00 -1.95 0.00 0.00 55.36 54.56 1rqm s GLN 91 Cb 0.02 -3.35 0.08 0.00 -0.22 0.00 0.00 33.01 29.55 1rqm s GLN 91 CO 0.01 0.35 1.10 -1.25 -0.25 0.00 0.00 175.29 175.26 1rqm s PRO 92 N -0.13 1.87 0.24 2.91 0.04 -1.26 -4.66 135.00 134.01 1rqm s PRO 92 Ca 0.31 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1rqm s PRO 92 Cb -0.18 -1.85 0.32 0.00 0.04 0.00 0.00 34.50 32.83 1rqm s PRO 92 CO 0.17 -1.93 1.86 0.87 0.04 0.00 0.00 177.00 178.01 1rqm h LYS 93 N -1.34 0.96 0.00 4.56 6.56 -1.97 0.11 116.57 125.44 1rqm h LYS 93 Ca -0.44 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 1rqm h LYS 93 Cb 1.24 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1rqm h LYS 93 CO 0.49 0.64 0.00 1.49 -2.06 0.00 0.00 179.45 180.01 1rqm h GLU 94 N 0.99 0.00 0.00 3.15 4.81 -1.97 0.38 114.58 121.94 1rqm h GLU 94 Ca 0.37 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.24 1rqm h GLU 94 Cb 0.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1rqm h GLU 94 CO -0.16 0.00 -1.98 0.94 -0.73 0.00 0.00 179.01 177.08 1rqm n GLN 95 N -3.08 0.58 0.42 1.92 -0.06 0.16 -3.58 117.38 113.74 1rqm n GLN 95 Ca -0.03 0.40 -0.19 0.00 -2.00 0.00 0.00 57.00 55.18 1rqm n GLN 95 Cb 0.09 -1.61 -0.10 0.00 -4.06 0.00 0.00 30.24 24.56 1rqm n GLN 95 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1rqm h LEU 96 N -0.97 -1.15 -1.79 1.69 6.46 -0.78 0.18 115.31 118.95 1rqm h LEU 96 Ca -0.55 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1rqm h LEU 96 Cb 1.49 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 1rqm h LEU 96 CO -0.32 -0.72 0.00 -0.08 -0.62 0.00 0.00 178.44 176.70 1rqm h GLU 97 N -1.15 0.00 0.04 1.25 4.81 -0.48 0.13 114.58 119.17 1rqm h GLU 97 Ca -0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1rqm h GLU 97 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1rqm h GLU 97 CO 0.11 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 178.37 1rqm h ALA 98 N 2.05 -0.05 -0.79 2.92 0.00 -1.52 -1.90 119.26 119.96 1rqm h ALA 98 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.70 1rqm h ALA 98 Cb 0.27 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1rqm h ALA 98 CO 0.00 -0.15 0.40 0.37 0.00 0.00 0.00 179.25 179.87 1rqm h GLN 99 N -0.81 0.61 -0.01 0.00 5.75 0.08 -1.92 115.11 118.80 1rqm h GLN 99 Ca -0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1rqm h GLN 99 Cb 0.68 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1rqm h GLN 99 CO 0.01 0.40 -0.03 1.28 -2.65 0.00 0.00 178.83 177.84 1rqm n LEU 100 N -4.86 0.98 -0.07 -2.39 4.32 0.37 -4.43 117.00 110.92 1rqm n LEU 100 Ca 0.14 -0.30 0.08 0.00 -0.02 0.00 0.00 56.01 55.91 1rqm n LEU 100 Cb 0.36 -0.03 0.44 0.00 -1.62 0.00 0.00 43.42 42.58 1rqm n LEU 100 CO 0.23 0.16 1.18 0.00 -1.22 0.00 0.00 177.39 177.74 1rqm h ALA 101 N 4.15 1.84 0.00 -1.18 0.00 -0.49 -0.44 119.26 123.13 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 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rqm h ALA 101 CO 0.00 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 178.93 1rqm n ASP 102 N -4.47 0.32 0.00 0.00 5.75 -1.26 0.33 116.55 117.22 1rqm n ASP 102 Ca 0.07 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.48 1rqm n ASP 102 Cb 0.22 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 -1.91 0.56 -0.13 2.12 0.24 -0.27 -4.68 118.33 114.26 1rqm n VAL 103 Ca 0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1rqm n VAL 103 Cb 0.08 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 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 -0.28 0.41 0.00 1.34 7.99 -0.62 -5.01 117.00 120.83 1rqm n LEU 104 Ca 0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 56.01 55.42 1rqm n LEU 104 Cb 0.35 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1rqm n LEU 104 CO 0.00 0.10 0.19 1.67 -1.51 0.00 0.00 177.39 177.84