#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm h THR 2 N 0.00 0.00 0.00 0.00 2.02 -1.94 -3.48 112.91 109.51 1rqm h THR 2 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1rqm h THR 2 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1rqm h THR 2 CO 0.00 0.00 0.00 0.80 0.37 0.00 0.00 175.52 176.69 1rqm n MET 3 N -5.17 0.00 -1.69 6.66 1.56 -0.79 -4.84 117.12 112.84 1rqm n MET 3 Ca -0.13 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 56.87 1rqm n MET 3 Cb 0.42 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.75 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 0.26 -2.73 1.12 -1.04 -1.26 -2.82 114.28 107.80 1rqm n THR 4 Ca 0.00 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.76 1rqm n THR 4 Cb 0.00 -2.02 0.04 0.00 -1.82 0.00 0.00 70.33 66.53 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 2.28 3.32 0.02 -4.42 1.02 0.29 -4.89 118.68 116.29 1rqm s LEU 5 Ca 0.81 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.78 1rqm s LEU 5 Cb -0.52 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.02 1rqm s LEU 5 CO 0.37 -1.14 0.00 1.07 0.02 0.00 0.00 176.35 176.67 1rqm n THR 6 N -2.28 0.04 0.00 5.49 5.66 -1.26 -4.80 114.28 117.13 1rqm n THR 6 Ca 0.09 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1rqm n THR 6 Cb 0.60 -0.91 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1rqm n THR 6 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1rqm n ASP 7 N -2.76 0.00 -0.10 1.09 8.00 -1.26 -4.57 116.55 116.94 1rqm n ASP 7 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1rqm n ASP 7 Cb 0.19 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.81 1rqm n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rqm h ALA 8 N 0.00 2.08 0.00 2.24 0.00 -1.99 0.13 119.26 121.72 1rqm h ALA 8 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 8 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rqm h ALA 8 CO 0.00 -0.24 0.00 -0.97 0.00 0.00 0.00 179.25 178.04 1rqm h ASN 9 N 0.38 0.00 0.46 0.00 -0.00 -1.96 -1.16 115.58 113.29 1rqm h ASN 9 Ca 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.58 1rqm h ASN 9 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.99 1rqm h ASN 9 CO -0.08 0.00 -0.22 0.15 -0.00 0.00 0.00 177.43 177.28 1rqm h PHE 10 N 0.00 -0.57 -0.57 0.67 3.04 -1.12 -1.50 116.94 116.89 1rqm h PHE 10 Ca 0.00 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.94 1rqm h PHE 10 Cb 0.58 0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 1rqm h PHE 10 CO 0.00 -0.36 0.37 1.96 -2.02 0.00 0.00 178.31 178.27 1rqm h GLN 11 N -0.72 0.74 -0.10 1.11 4.20 -1.61 -0.51 115.11 118.22 1rqm h GLN 11 Ca -0.06 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.63 1rqm h GLN 11 Cb 0.47 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1rqm h GLN 11 CO 0.10 0.49 0.08 0.37 -0.67 0.00 0.00 178.83 179.20 1rqm h GLN 12 N 0.76 0.00 0.00 1.46 4.15 -1.23 0.13 115.11 120.38 1rqm h GLN 12 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 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 -0.05 0.00 -0.17 0.00 -1.93 0.00 0.00 178.83 176.68 1rqm h ALA 13 N 1.93 0.01 0.00 3.38 0.00 -0.91 -3.40 119.26 120.26 1rqm h ALA 13 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1rqm h ALA 13 Cb 0.21 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rqm h ALA 13 CO -0.00 0.15 -0.03 -0.84 0.00 0.00 0.00 179.25 178.53 1rqm h ILE 14 N -1.00 0.34 -0.38 0.00 3.07 -0.71 -2.26 117.51 116.55 1rqm h ILE 14 Ca -0.01 -0.18 0.06 0.00 1.55 0.00 0.00 64.86 66.28 1rqm h ILE 14 Cb 0.25 1.13 -0.02 0.00 -0.27 0.00 0.00 36.82 37.91 1rqm h ILE 14 CO -0.01 0.03 0.26 0.06 -1.05 0.00 0.00 178.15 177.45 1rqm h GLN 15 N 0.00 0.23 0.00 0.16 3.07 -1.19 0.22 115.11 117.61 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 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1rqm h GLN 15 CO 0.00 0.16 0.00 0.41 0.09 0.00 0.00 178.83 179.49 1rqm n GLY 16 N -1.54 -0.55 2.01 0.06 0.00 -0.85 -3.43 105.19 100.89 1rqm n GLY 16 Ca 0.05 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.14 0.00 1.61 -0.08 -1.24 -4.85 116.55 111.86 1rqm n ASP 17 Ca 0.00 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1rqm n ASP 17 Cb 0.00 0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 -0.50 0.71 3.37 0.27 0.00 -1.26 -4.94 105.19 102.84 1rqm n GLY 18 Ca 0.00 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1rqm n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rqm n PRO 19 N 0.00 2.45 -3.47 1.61 -0.04 -1.26 -3.95 135.00 130.34 1rqm n PRO 19 Ca 0.00 -2.74 -0.37 0.00 -0.04 0.00 0.00 63.50 60.35 1rqm n PRO 19 Cb 0.00 -3.45 -0.07 0.00 -0.04 0.00 0.00 33.50 29.94 1rqm n PRO 19 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rqm s VAL 20 N 6.11 5.27 -0.28 0.52 1.01 -0.92 -0.89 120.40 131.22 1rqm s VAL 20 Ca 0.57 0.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 1rqm s VAL 20 Cb 0.06 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1rqm s VAL 20 CO 0.07 0.37 -0.00 -1.48 0.00 0.00 0.00 175.10 174.06 1rqm s LEU 21 N 0.50 3.56 -0.13 3.92 2.34 -0.08 -0.94 118.68 127.86 1rqm s LEU 21 Ca 0.19 -0.91 -0.28 0.00 0.06 0.00 0.00 54.13 53.20 1rqm s LEU 21 Cb -0.14 -1.74 -0.01 0.00 -0.56 0.00 0.00 46.19 43.74 1rqm s LEU 21 CO 0.06 -0.18 0.92 -0.69 -1.06 0.00 0.00 176.35 175.40 1rqm s VAL 22 N 1.37 4.84 -0.54 1.48 1.01 0.72 -0.58 120.40 128.69 1rqm s VAL 22 Ca -0.00 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 63.79 1rqm s VAL 22 Cb -0.17 -4.23 0.14 0.00 0.00 0.00 0.00 36.38 32.12 1rqm s VAL 22 CO -0.02 0.03 0.35 -0.62 0.00 0.00 0.00 175.10 174.84 1rqm s ASP 23 N 1.10 5.31 -0.49 3.32 -1.08 0.21 -2.18 116.67 122.86 1rqm s ASP 23 Ca 0.44 -2.48 -0.27 0.00 -0.52 0.00 0.00 52.55 49.72 1rqm s ASP 23 Cb -0.18 -1.86 0.03 0.00 -1.46 0.00 0.00 42.92 39.45 1rqm s ASP 23 CO 0.16 -0.46 1.02 -0.36 0.52 0.00 0.00 175.17 176.05 1rqm s PHE 24 N 0.49 2.84 0.40 -5.34 0.08 0.13 -0.51 117.98 116.08 1rqm s PHE 24 Ca 0.13 0.45 0.03 0.00 0.12 0.00 0.00 56.93 57.67 1rqm s PHE 24 Cb -0.21 -4.19 -0.04 0.00 -0.57 0.00 0.00 43.02 38.01 1rqm s PHE 24 CO -0.04 -1.23 0.08 1.67 -0.10 0.00 0.00 175.22 175.60 1rqm s TRP 25 N 4.12 1.91 0.02 0.36 1.48 -0.82 -1.71 118.94 124.29 1rqm s TRP 25 Ca 0.41 -1.08 -0.00 0.00 -1.06 0.00 0.00 56.10 54.36 1rqm s TRP 25 Cb -0.09 -1.32 -0.02 0.00 -1.16 0.00 0.00 33.47 30.88 1rqm s TRP 25 CO 0.27 -0.06 -0.02 0.00 -4.06 0.00 0.00 176.95 173.08 1rqm s ALA 26 N -3.14 0.11 0.58 2.67 0.00 -1.26 -0.15 121.76 120.57 1rqm s ALA 26 Ca 0.25 -0.59 0.28 0.00 0.00 0.00 0.00 51.96 51.90 1rqm s ALA 26 Cb 0.05 0.15 1.62 0.00 0.00 0.00 0.00 23.12 24.94 1rqm s ALA 26 CO 0.13 -0.17 2.10 0.00 0.00 0.00 0.00 175.76 177.82 1rqm h ALA 27 N 4.61 1.87 0.00 0.00 0.00 -1.96 -2.66 119.26 121.12 1rqm h ALA 27 Ca -0.32 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 1rqm h ALA 27 Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1rqm h ALA 27 CO 0.41 -0.30 -1.75 -2.67 0.00 0.00 0.00 179.25 174.95 1rqm n TRP 28 N -3.90 0.59 -1.49 0.00 2.14 -1.26 -5.04 117.44 108.48 1rqm n TRP 28 Ca 0.02 0.20 -0.32 0.00 2.07 0.00 0.00 57.50 59.47 1rqm n TRP 28 Cb 0.33 -0.97 0.07 0.00 -0.81 0.00 0.00 31.31 29.92 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 -0.88 1.00 0.29 0.00 0.00 -1.26 -4.35 105.19 99.98 1rqm n GLY 30 Ca 0.10 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.84 1.61 0.13 -1.97 0.18 132.00 131.12 1rqm h PRO 31 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 1rqm h PRO 31 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1rqm h PRO 31 CO 0.00 0.00 0.55 0.00 -0.23 0.00 0.00 178.00 178.32 1rqm h ARG 33 N 0.51 0.00 0.00 0.00 2.43 -1.15 0.27 114.38 116.45 1rqm h ARG 33 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1rqm h ARG 33 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1rqm h ARG 33 CO -0.16 0.00 -1.22 -1.33 -1.51 0.00 0.00 179.97 175.75 1rqm n MET 34 N -2.52 0.15 -0.04 0.20 2.81 -0.21 -4.28 117.12 113.23 1rqm n MET 34 Ca 0.01 -0.04 -0.15 0.00 -1.81 0.00 0.00 57.70 55.71 1rqm n MET 34 Cb 0.24 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.10 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 -1.68 0.69 -0.22 0.03 0.00 -0.70 -4.02 117.12 111.22 1rqm n MET 35 Ca 0.02 0.22 -0.01 0.00 -0.00 0.00 0.00 57.70 57.93 1rqm n MET 35 Cb 0.39 -1.68 0.06 0.00 0.00 0.00 0.00 33.22 31.98 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 0.51 0.38 -0.51 -5.12 0.00 -0.68 0.35 119.26 114.20 1rqm h ALA 36 Ca -0.42 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1rqm h ALA 36 Cb 2.04 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 20.33 1rqm h ALA 36 CO 0.05 -0.45 0.09 -1.00 0.00 0.00 0.00 179.25 177.94 1rqm h PRO 37 N -0.02 0.79 0.00 0.00 0.13 -1.76 0.95 132.00 132.09 1rqm h PRO 37 Ca 0.30 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1rqm h PRO 37 Cb 0.49 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1rqm h PRO 37 CO -0.67 0.74 -0.11 -0.24 -0.23 0.00 0.00 178.00 177.48 1rqm h VAL 38 N 0.76 0.37 0.11 1.56 3.04 -1.00 -0.05 116.25 121.04 1rqm h VAL 38 Ca 0.16 -0.68 -0.30 0.00 -1.01 0.00 0.00 66.70 64.88 1rqm h VAL 38 Cb 0.33 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1rqm h VAL 38 CO 0.00 0.11 -1.47 -0.07 -1.01 0.00 0.00 177.57 175.13 1rqm h LEU 39 N 0.00 0.35 -0.50 3.16 4.07 0.16 -0.62 115.31 121.94 1rqm h LEU 39 Ca -0.00 -0.47 -0.06 0.00 0.08 0.00 0.00 57.88 57.43 1rqm h LEU 39 Cb 0.49 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1rqm h LEU 39 CO 0.01 1.39 0.09 -0.08 -1.08 0.00 0.00 178.44 178.77 1rqm h GLU 40 N 0.06 0.82 0.00 1.13 4.57 -0.53 0.19 114.58 120.83 1rqm h GLU 40 Ca -0.22 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1rqm h GLU 40 Cb 2.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 1rqm h GLU 40 CO 0.16 0.82 0.00 1.49 -1.18 0.00 0.00 179.01 180.30 1rqm h GLU 41 N 0.70 0.00 0.05 1.92 4.81 -1.05 -1.03 114.58 119.99 1rqm h GLU 41 Ca 0.15 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1rqm h GLU 41 Cb 0.39 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1rqm h GLU 41 CO 0.01 0.00 -0.62 0.35 -0.73 0.00 0.00 179.01 178.02 1rqm h PHE 42 N 0.00 0.19 -0.34 0.92 3.04 -0.11 -3.27 116.94 117.37 1rqm h PHE 42 Ca 0.00 -0.14 0.03 0.00 3.98 0.00 0.00 57.97 61.84 1rqm h PHE 42 Cb 0.22 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 1rqm h PHE 42 CO 0.00 1.24 0.14 0.00 -2.02 0.00 0.00 178.31 177.67 1rqm h ALA 43 N -0.07 0.40 0.23 2.41 0.00 -0.12 -3.02 119.26 119.08 1rqm h ALA 43 Ca -0.14 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rqm h ALA 43 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1rqm h ALA 43 CO 0.01 -0.25 -0.17 1.49 0.00 0.00 0.00 179.25 180.33 1rqm h GLU 44 N 0.30 -0.38 0.00 0.00 4.22 -1.39 -2.06 114.58 115.27 1rqm h GLU 44 Ca 0.15 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1rqm h GLU 44 Cb 0.10 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1rqm h GLU 44 CO -0.13 -0.26 0.00 0.00 -2.18 0.00 0.00 179.01 176.44 1rqm n ALA 45 N -2.35 1.27 -2.72 2.92 0.00 -1.14 -1.88 120.51 116.61 1rqm n ALA 45 Ca -0.09 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1rqm n ALA 45 Cb 0.20 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.40 1rqm n ALA 45 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1rqm n HIS 46 N -2.24 -1.14 0.14 0.00 1.44 -1.24 -4.99 115.22 107.18 1rqm n HIS 46 Ca -0.00 -2.34 0.09 0.00 -2.01 0.00 0.00 57.72 53.46 1rqm n HIS 46 Cb 0.11 0.83 0.46 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 n ALA 47 N -0.29 0.97 -0.10 1.59 0.00 -0.77 -2.01 120.51 119.90 1rqm n ALA 47 Ca 0.03 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.44 1rqm n ALA 47 Cb 0.82 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 1rqm n ALA 47 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1rqm h ASP 48 N 0.00 0.00 1.12 0.00 2.03 -1.87 -3.41 116.42 114.28 1rqm h ASP 48 Ca 0.00 -0.49 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1rqm h ASP 48 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1rqm h ASP 48 CO 0.00 1.35 0.00 0.50 -1.03 0.00 0.00 179.24 180.06 1rqm h LYS 49 N -1.00 0.00 -4.46 4.15 3.64 -1.81 -3.46 116.57 113.62 1rqm h LYS 49 Ca -0.27 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.91 1rqm h LYS 49 Cb 1.17 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.84 1rqm h LYS 49 CO -0.17 0.00 -0.64 0.14 -2.27 0.00 0.00 179.45 176.52 1rqm s VAL 50 N -3.35 0.08 -0.16 2.00 -7.23 -1.15 -4.76 120.40 105.82 1rqm s VAL 50 Ca 0.05 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1rqm s VAL 50 Cb 0.09 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1rqm s VAL 50 CO 0.51 -0.34 -0.20 0.28 -0.31 0.00 0.00 175.10 175.04 1rqm s THR 51 N -4.08 2.15 0.51 5.32 -1.32 -0.07 -4.83 115.64 113.31 1rqm s THR 51 Ca 0.28 -0.93 -0.18 0.00 -1.21 0.00 0.00 61.69 59.64 1rqm s THR 51 Cb 0.07 -1.88 -0.08 0.00 -1.51 0.00 0.00 72.50 69.10 1rqm s THR 51 CO 0.04 0.54 1.01 -0.69 -2.21 0.00 0.00 174.62 173.32 1rqm s VAL 52 N 1.04 4.09 -0.29 5.08 1.01 -1.26 -0.90 120.40 129.16 1rqm s VAL 52 Ca -0.01 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 1rqm s VAL 52 Cb -0.14 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.83 1rqm s VAL 52 CO -0.07 -0.42 0.23 0.00 0.00 0.00 0.00 175.10 174.85 1rqm s ALA 53 N -2.28 -0.03 0.03 5.51 0.00 0.25 -1.88 121.76 123.36 1rqm s ALA 53 Ca 0.63 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 1rqm s ALA 53 Cb -0.13 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 1rqm s ALA 53 CO 0.25 -1.70 0.35 -1.59 0.00 0.00 0.00 175.76 173.07 1rqm s LYS 54 N 2.23 3.73 -0.00 0.00 -2.85 -1.13 -0.62 119.74 121.10 1rqm s LYS 54 Ca 0.09 0.15 -0.02 0.00 -1.00 0.00 0.00 55.97 55.19 1rqm s LYS 54 Cb -0.15 -3.08 -0.00 0.00 -2.06 0.00 0.00 37.83 32.53 1rqm s LYS 54 CO -0.34 0.63 0.05 -0.48 0.10 0.00 0.00 175.35 175.31 1rqm s LEU 55 N -1.61 1.88 -1.00 2.77 2.34 0.34 -0.55 118.68 122.85 1rqm s LEU 55 Ca 0.28 -0.15 -0.22 0.00 0.06 0.00 0.00 54.13 54.10 1rqm s LEU 55 Cb -0.14 0.27 0.07 0.00 -0.56 0.00 0.00 46.19 45.82 1rqm s LEU 55 CO 0.15 -0.19 1.37 0.21 -1.06 0.00 0.00 176.35 176.84 1rqm s ASN 56 N -0.76 6.53 0.33 1.48 2.47 -1.26 -1.95 114.94 121.78 1rqm s ASN 56 Ca -0.08 -1.59 0.23 0.00 0.42 0.00 0.00 52.86 51.84 1rqm s ASN 56 Cb -0.05 -2.53 1.19 0.00 -1.45 0.00 0.00 41.25 38.41 1rqm s ASN 56 CO 0.00 -1.41 1.70 1.62 -3.72 0.00 0.00 177.10 175.30 1rqm h VAL 57 N 6.57 0.00 0.00 -5.21 3.04 -0.80 0.22 116.25 120.07 1rqm h VAL 57 Ca 0.19 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1rqm h VAL 57 Cb 1.01 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1rqm h VAL 57 CO 1.35 0.00 -0.00 -0.78 -1.01 0.00 0.00 177.57 177.13 1rqm h ASP 58 N 0.00 0.00 0.00 3.17 3.58 -1.90 -3.34 116.42 117.94 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 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1rqm h ASP 58 CO 0.00 0.00 -0.45 1.21 -2.88 0.00 0.00 179.24 177.12 1rqm n GLU 59 N -3.09 2.79 -3.70 0.28 2.13 0.52 -4.96 120.64 114.62 1rqm n GLU 59 Ca -0.01 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.50 1rqm n GLU 59 Cb 0.20 -0.72 -0.09 0.00 0.27 0.00 0.00 31.44 31.10 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 -0.84 3.68 0.00 4.31 5.03 0.15 -4.97 115.26 122.61 1rqm n ASN 60 Ca 0.00 -3.24 0.10 0.00 0.87 0.00 0.00 54.58 52.31 1rqm n ASN 60 Cb 0.08 -0.86 0.51 0.00 -1.02 0.00 0.00 39.78 38.49 1rqm n ASN 60 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1rqm n PRO 61 N 1.83 0.33 -1.75 3.52 -0.04 -1.26 -4.61 135.00 133.02 1rqm n PRO 61 Ca 0.23 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.36 1rqm n PRO 61 Cb 0.37 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 1rqm n PRO 61 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1rqm n GLU 62 N -1.24 2.74 0.00 0.54 4.07 -1.26 -2.08 120.64 123.41 1rqm n GLU 62 Ca 0.10 0.97 0.00 0.00 -0.06 0.00 0.00 57.16 58.18 1rqm n GLU 62 Cb 0.14 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 28.76 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 2.12 0.00 0.20 6.31 -1.04 -1.26 -4.71 114.28 115.89 1rqm n THR 63 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1rqm n THR 63 Cb 0.37 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.65 0.00 12.58 2.02 -1.72 0.21 112.91 126.66 1rqm h THR 64 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1rqm h THR 64 Cb 0.00 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1rqm h THR 64 CO 0.00 0.06 0.00 -0.24 0.37 0.00 0.00 175.52 175.71 1rqm n SER 65 N -5.23 0.00 -0.08 4.18 2.88 -1.20 -1.22 113.62 112.94 1rqm n SER 65 Ca -0.10 -0.72 -0.12 0.00 -1.33 0.00 0.00 58.87 56.60 1rqm n SER 65 Cb 0.25 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.94 0.47 -0.16 -1.46 -0.06 -0.32 -4.62 117.38 110.29 1rqm n GLN 66 Ca 0.14 0.09 0.09 0.00 -2.00 0.00 0.00 57.00 55.33 1rqm n GLN 66 Cb 0.06 -1.34 0.17 0.00 -4.06 0.00 0.00 30.24 25.08 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 -2.98 0.41 -2.75 3.69 -0.00 0.60 -4.98 117.46 111.46 1rqm n PHE 67 Ca -0.30 -0.26 -0.07 0.00 -0.00 0.00 0.00 57.45 56.82 1rqm n PHE 67 Cb 0.82 -0.01 0.02 0.00 -0.00 0.00 0.00 39.48 40.32 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 1.15 0.44 3.29 7.13 0.00 -0.99 -4.91 105.19 111.30 1rqm n GLY 68 Ca 0.16 -0.42 -0.42 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 -3.38 3.55 0.34 -0.61 2.08 -0.36 -4.43 119.36 116.55 1rqm n ILE 69 Ca -0.01 -3.50 0.07 0.00 0.56 0.00 0.00 62.75 59.87 1rqm n ILE 69 Cb 0.52 -2.42 -0.10 0.00 -0.75 0.00 0.00 39.64 36.90 1rqm n ILE 69 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1rqm n MET 70 N 7.61 1.39 -0.13 0.38 2.81 -1.26 -4.82 117.12 123.10 1rqm n MET 70 Ca 0.50 -0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 56.31 1rqm n MET 70 Cb 0.44 -1.26 0.04 0.00 -0.71 0.00 0.00 33.22 31.73 1rqm n MET 70 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1rqm n SER 71 N -1.67 2.17 -4.78 7.83 7.64 -1.26 -4.96 113.62 118.60 1rqm n SER 71 Ca 0.00 -2.16 -0.33 0.00 1.01 0.00 0.00 58.87 57.40 1rqm n SER 71 Cb 0.30 -0.53 0.04 0.00 -1.01 0.00 0.00 64.21 63.01 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1rqm s ILE 72 N -0.93 3.46 0.14 0.44 -4.36 -1.26 -3.76 121.20 114.92 1rqm s ILE 72 Ca 0.07 0.64 -0.31 0.00 -0.26 0.00 0.00 60.65 60.79 1rqm s ILE 72 Cb 0.06 -3.18 -0.10 0.00 1.25 0.00 0.00 42.46 40.49 1rqm s ILE 72 CO 0.02 -0.45 1.68 -2.16 0.24 0.00 0.00 174.94 174.26 1rqm s PRO 73 N -4.24 4.18 -0.08 0.37 0.04 -1.26 -4.57 135.00 129.43 1rqm s PRO 73 Ca 0.65 2.46 0.02 0.00 0.04 0.00 0.00 61.00 64.17 1rqm s PRO 73 Cb -0.18 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1rqm s PRO 73 CO 0.43 -0.72 -0.14 0.99 0.04 0.00 0.00 177.00 177.60 1rqm s THR 74 N 1.83 3.03 -0.39 1.26 2.01 -0.69 -0.91 115.64 121.77 1rqm s THR 74 Ca 0.74 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1rqm s THR 74 Cb -0.45 -2.21 0.13 0.00 0.01 0.00 0.00 72.50 69.98 1rqm s THR 74 CO 0.33 0.57 0.19 -0.22 -0.69 0.00 0.00 174.62 174.80 1rqm s LEU 75 N -0.34 2.33 0.06 4.42 0.20 0.11 -0.70 118.68 124.76 1rqm s LEU 75 Ca 0.03 -2.26 -0.10 0.00 0.69 0.00 0.00 54.13 52.49 1rqm s LEU 75 Cb -0.13 -0.90 -0.06 0.00 -0.43 0.00 0.00 46.19 44.68 1rqm s LEU 75 CO 0.02 -0.32 0.38 -0.63 -0.29 0.00 0.00 176.35 175.52 1rqm s ILE 76 N 0.84 5.12 -0.22 6.68 1.01 -0.93 -0.55 121.20 133.14 1rqm s ILE 76 Ca 0.15 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.22 1rqm s ILE 76 Cb -0.22 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1rqm s ILE 76 CO -0.07 0.34 -0.02 -0.22 0.00 0.00 0.00 174.94 174.96 1rqm s LEU 77 N -1.78 3.00 0.07 2.97 0.20 -0.61 -0.20 118.68 122.33 1rqm s LEU 77 Ca 0.31 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.83 1rqm s LEU 77 Cb -0.14 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1rqm s LEU 77 CO 0.17 -0.02 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.81 1rqm s PHE 78 N 1.47 2.90 -0.16 5.38 0.40 -0.11 -1.69 117.98 126.16 1rqm s PHE 78 Ca 0.06 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1rqm s PHE 78 Cb -0.14 -1.53 0.06 0.00 0.51 0.00 0.00 43.02 41.92 1rqm s PHE 78 CO -0.02 0.44 0.12 -1.59 0.70 0.00 0.00 175.22 174.87 1rqm s LYS 79 N -2.04 0.07 -1.22 0.44 -2.85 -0.38 -2.16 119.74 111.60 1rqm s LYS 79 Ca 0.22 0.06 -0.32 0.00 -1.00 0.00 0.00 55.97 54.93 1rqm s LYS 79 Cb -0.11 -1.47 0.04 0.00 -2.06 0.00 0.00 37.83 34.23 1rqm s LYS 79 CO 0.14 -0.61 0.61 0.41 0.10 0.00 0.00 175.35 176.00 1rqm n GLY 80 N 5.29 -0.75 0.67 0.59 0.00 -1.24 -1.47 105.19 108.28 1rqm n GLY 80 Ca -0.06 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.13 3.40 3.42 -0.02 0.00 0.78 -4.78 105.19 105.85 1rqm n GLY 81 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.81 2.90 -0.85 1.61 2.56 -0.54 -4.98 118.70 118.59 1rqm s GLU 82 Ca 0.00 -1.09 -0.25 0.00 0.00 0.00 0.00 54.97 53.63 1rqm s GLU 82 Cb 0.00 -3.90 -0.02 0.00 2.00 0.00 0.00 34.13 32.21 1rqm s GLU 82 CO 0.00 -0.77 1.79 -1.25 -0.56 0.00 0.00 175.26 174.48 1rqm s PRO 83 N 1.62 2.80 0.18 4.30 0.04 -1.26 -1.25 135.00 141.43 1rqm s PRO 83 Ca 0.04 -0.25 -0.10 0.00 0.04 0.00 0.00 61.00 60.73 1rqm s PRO 83 Cb -0.20 -4.91 0.07 0.00 0.04 0.00 0.00 34.50 29.50 1rqm s PRO 83 CO 0.08 -2.95 1.66 -0.39 0.04 0.00 0.00 177.00 175.44 1rqm h VAL 84 N 7.02 1.26 -3.09 -0.36 -1.51 -1.70 -3.47 116.25 114.39 1rqm h VAL 84 Ca 0.02 -1.05 0.03 0.00 -1.23 0.00 0.00 66.70 64.46 1rqm h VAL 84 Cb 1.04 0.76 -0.07 0.00 -2.13 0.00 0.00 31.29 30.88 1rqm h VAL 84 CO 1.26 0.39 0.17 -1.59 -1.23 0.00 0.00 177.57 176.56 1rqm s LYS 85 N -5.14 1.61 -0.03 5.19 0.00 -1.25 -5.05 119.74 115.07 1rqm s LYS 85 Ca -0.12 -0.89 0.01 0.00 0.00 0.00 0.00 55.97 54.97 1rqm s LYS 85 Cb 0.13 0.58 0.02 0.00 0.00 0.00 0.00 37.83 38.56 1rqm s LYS 85 CO 0.84 -0.72 -0.03 -1.14 0.00 0.00 0.00 175.35 174.30 1rqm s GLN 86 N -3.89 0.51 0.14 1.78 0.74 -1.26 -1.57 119.66 116.11 1rqm s GLN 86 Ca 0.10 -0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.46 1rqm s GLN 86 Cb -0.04 -0.57 -0.04 0.00 1.10 0.00 0.00 33.01 33.47 1rqm s GLN 86 CO 0.02 -0.03 0.24 -0.51 -0.55 0.00 0.00 175.29 174.46 1rqm s LEU 87 N 0.60 4.24 -0.01 3.68 2.01 0.28 -4.97 118.68 124.51 1rqm s LEU 87 Ca -0.07 0.13 -0.02 0.00 0.01 0.00 0.00 54.13 54.18 1rqm s LEU 87 Cb -0.10 -2.82 -0.00 0.00 0.01 0.00 0.00 46.19 43.28 1rqm s LEU 87 CO -0.01 0.07 0.04 0.27 1.01 0.00 0.00 176.35 177.73 1rqm s ILE 88 N -1.71 0.04 0.17 -0.59 -4.36 -1.26 -0.71 121.20 112.79 1rqm s ILE 88 Ca 0.34 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1rqm s ILE 88 Cb -0.11 -0.17 0.00 0.00 1.25 0.00 0.00 42.46 43.43 1rqm s ILE 88 CO 0.27 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.88 1rqm n GLY 89 N 2.46 -2.05 3.56 6.27 0.00 -0.09 -4.58 105.19 110.76 1rqm n GLY 89 Ca -0.17 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.97 3.64 -2.32 1.61 9.36 -1.26 -4.79 117.16 120.43 1rqm n TYR 90 Ca -0.01 -2.14 -0.42 0.00 3.32 0.00 0.00 57.90 58.64 1rqm n TYR 90 Cb 0.26 -2.61 -0.03 0.00 -0.63 0.00 0.00 39.34 36.32 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 5.33 4.35 0.88 2.98 -1.52 -1.26 -5.04 119.66 125.37 1rqm s GLN 91 Ca 0.61 1.87 -0.11 0.00 -1.95 0.00 0.00 55.36 55.78 1rqm s GLN 91 Cb 0.02 -3.43 0.12 0.00 -0.22 0.00 0.00 33.01 29.50 1rqm s GLN 91 CO 0.11 -0.42 1.09 -1.25 -0.25 0.00 0.00 175.29 174.57 1rqm s PRO 92 N 1.68 1.36 0.28 2.91 0.04 -1.26 -4.60 135.00 135.42 1rqm s PRO 92 Ca 0.61 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 1rqm s PRO 92 Cb -0.31 -1.81 0.65 0.00 0.04 0.00 0.00 34.50 33.08 1rqm s PRO 92 CO 0.27 -2.21 1.64 0.87 0.04 0.00 0.00 177.00 177.61 1rqm h LYS 93 N -1.53 0.17 -0.00 4.56 1.79 -1.96 0.83 116.57 120.41 1rqm h LYS 93 Ca -0.48 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1rqm h LYS 93 Cb 1.27 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1rqm h LYS 93 CO 0.52 0.11 0.00 0.93 -1.08 0.00 0.00 179.45 179.94 1rqm h GLU 94 N 0.17 0.00 0.00 3.15 5.08 -1.99 0.18 114.58 121.17 1rqm h GLU 94 Ca 0.52 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.44 1rqm h GLU 94 Cb 1.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 1rqm h GLU 94 CO -0.68 0.00 -2.53 0.94 -1.00 0.00 0.00 179.01 175.75 1rqm n GLN 95 N -3.76 0.60 0.13 2.33 -0.06 0.08 -3.86 117.38 112.84 1rqm n GLN 95 Ca -0.03 0.23 -0.12 0.00 -2.00 0.00 0.00 57.00 55.07 1rqm n GLN 95 Cb 0.08 -1.49 -0.07 0.00 -4.06 0.00 0.00 30.24 24.70 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 -0.69 -1.08 -1.51 1.69 6.46 -0.83 0.16 115.31 119.50 1rqm h LEU 96 Ca -0.67 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.22 1rqm h LEU 96 Cb 1.70 0.38 -0.03 0.00 -0.73 0.00 0.00 40.66 41.99 1rqm h LEU 96 CO -0.32 -0.43 0.36 -0.08 -0.62 0.00 0.00 178.44 177.34 1rqm h GLU 97 N -0.61 0.63 -0.27 1.25 4.22 -0.88 0.26 114.58 119.18 1rqm h GLU 97 Ca -0.02 -0.04 -0.14 0.00 0.08 0.00 0.00 59.36 59.24 1rqm h GLU 97 Cb 0.58 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1rqm h GLU 97 CO -0.14 0.41 -0.38 0.00 -2.18 0.00 0.00 179.01 176.72 1rqm h ALA 98 N 1.68 0.41 -0.45 2.92 0.00 -1.56 -0.60 119.26 121.66 1rqm h ALA 98 Ca 0.21 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1rqm h ALA 98 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rqm h ALA 98 CO -0.05 0.49 -0.08 0.37 0.00 0.00 0.00 179.25 179.98 1rqm h GLN 99 N 0.47 0.85 0.00 0.00 -0.00 -0.03 -3.04 115.11 113.35 1rqm h GLN 99 Ca 0.03 -0.31 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1rqm h GLN 99 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.40 1rqm h GLN 99 CO 0.09 0.95 0.00 -0.11 0.00 0.00 0.00 178.83 179.75 1rqm n LEU 100 N -4.29 0.00 0.11 -2.39 7.94 0.87 -3.98 117.00 115.25 1rqm n LEU 100 Ca -0.00 0.20 0.20 0.00 -1.11 0.00 0.00 56.01 55.30 1rqm n LEU 100 Cb 0.36 -0.20 0.74 0.00 0.53 0.00 0.00 43.42 44.85 1rqm n LEU 100 CO 0.43 -0.08 1.18 0.00 -1.11 0.00 0.00 177.39 177.81 1rqm h ALA 101 N 2.94 2.05 0.00 1.96 0.00 -0.99 -0.85 119.26 124.38 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 0.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rqm h ALA 101 CO 0.00 -0.66 0.00 -0.40 0.00 0.00 0.00 179.25 178.19 1rqm n ASP 102 N -3.60 0.00 0.00 0.00 5.75 -1.26 0.07 116.55 117.52 1rqm n ASP 102 Ca 0.07 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1rqm n ASP 102 Cb 0.62 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 -1.37 0.00 0.64 2.12 3.14 -0.34 -4.74 118.33 117.78 1rqm n VAL 103 Ca 0.02 -0.31 0.07 0.00 -2.96 0.00 0.00 64.34 61.16 1rqm n VAL 103 Cb 0.06 1.32 -0.09 0.00 -1.06 0.00 0.00 33.84 34.07 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 0.64 0.00 6.55 7.99 -0.74 -4.90 117.00 126.44 1rqm n LEU 104 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 1rqm n LEU 104 Cb 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1rqm n LEU 104 CO 0.00 0.16 0.12 1.67 -1.51 0.00 0.00 177.39 177.83