#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 -4.45 0.00 5.66 -0.83 -1.98 114.28 112.67 1rqm n THR 2 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1rqm n THR 2 Cb 0.00 0.21 -0.10 0.00 -1.55 0.00 0.00 70.33 68.89 1rqm n THR 2 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1rqm s MET 3 N 0.00 1.62 0.42 1.09 -2.45 -1.26 -4.97 119.30 113.75 1rqm s MET 3 Ca 0.00 -1.76 -0.25 0.00 -1.25 0.00 0.00 55.69 52.43 1rqm s MET 3 Cb 0.00 -1.59 -0.08 0.00 1.25 0.00 0.00 34.83 34.41 1rqm s MET 3 CO 0.00 0.25 1.25 0.99 1.05 0.00 0.00 175.02 178.57 1rqm s THR 4 N -2.65 2.78 0.16 10.11 2.01 -1.26 -1.16 115.64 125.64 1rqm s THR 4 Ca 0.29 0.67 0.04 0.00 0.31 0.00 0.00 61.69 63.00 1rqm s THR 4 Cb -0.02 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1rqm s THR 4 CO 0.13 0.07 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.29 1rqm s LEU 5 N -2.58 2.48 0.20 4.42 1.02 -0.97 -4.88 118.68 118.37 1rqm s LEU 5 Ca 0.59 -1.04 0.00 0.00 0.02 0.00 0.00 54.13 53.69 1rqm s LEU 5 Cb -0.35 -0.35 0.00 0.00 0.02 0.00 0.00 46.19 45.51 1rqm s LEU 5 CO 0.44 -0.35 0.00 0.35 0.02 0.00 0.00 176.35 176.81 1rqm n THR 6 N -0.24 0.25 0.00 5.49 -2.24 -1.26 -4.59 114.28 111.69 1rqm n THR 6 Ca -0.09 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1rqm n THR 6 Cb 0.61 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1rqm n THR 6 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rqm n ASP 7 N -3.30 0.00 -0.24 3.42 5.75 -1.26 -4.18 116.55 116.74 1rqm n ASP 7 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1rqm n ASP 7 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.26 1rqm n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rqm h ALA 8 N 1.63 1.27 0.00 2.12 0.00 -1.99 -1.14 119.26 121.15 1rqm h ALA 8 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1rqm h ALA 8 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1rqm h ALA 8 CO 0.00 0.58 -0.12 -0.97 0.00 0.00 0.00 179.25 178.74 1rqm h ASN 9 N 1.07 0.00 0.37 0.00 -1.24 -1.95 -0.06 115.58 113.78 1rqm h ASN 9 Ca 0.27 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 1rqm h ASN 9 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1rqm h ASN 9 CO -0.04 0.12 -0.18 0.15 -1.29 0.00 0.00 177.43 176.19 1rqm h PHE 10 N 0.00 -0.46 -0.46 0.67 3.04 -1.58 -0.45 116.94 117.70 1rqm h PHE 10 Ca -0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1rqm h PHE 10 Cb 0.88 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1rqm h PHE 10 CO 0.00 -0.13 0.13 1.96 -2.02 0.00 0.00 178.31 178.25 1rqm h GLN 11 N -0.88 0.68 -0.43 1.11 4.20 -1.19 -1.38 115.11 117.22 1rqm h GLN 11 Ca -0.05 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.57 1rqm h GLN 11 Cb 0.54 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1rqm h GLN 11 CO 0.08 0.61 0.23 0.37 -0.67 0.00 0.00 178.83 179.45 1rqm h GLN 12 N 0.67 0.45 -0.68 1.46 5.75 -1.01 -1.65 115.11 120.08 1rqm h GLN 12 Ca 0.15 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1rqm h GLN 12 Cb 0.23 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1rqm h GLN 12 CO -0.01 0.30 0.19 0.00 -2.65 0.00 0.00 178.83 176.66 1rqm h ALA 13 N 1.22 0.90 0.11 3.38 0.00 -0.01 -3.33 119.26 121.52 1rqm h ALA 13 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rqm h ALA 13 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1rqm h ALA 13 CO -0.12 0.60 -0.05 -0.84 0.00 0.00 0.00 179.25 178.84 1rqm h ILE 14 N 1.01 0.00 0.00 0.00 3.07 -1.26 -3.45 117.51 116.88 1rqm h ILE 14 Ca 0.22 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.46 1rqm h ILE 14 Cb 0.34 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.89 1rqm h ILE 14 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1rqm n GLN 15 N -2.84 0.00 -3.27 0.16 10.64 -0.63 -4.62 117.38 116.81 1rqm n GLN 15 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1rqm n GLN 15 Cb 0.06 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 1rqm n GLN 15 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rqm n GLY 16 N 0.00 -0.54 0.00 2.61 0.00 -1.26 -4.76 105.19 101.24 1rqm n GLY 16 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.35 1rqm n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rqm n ASP 17 N 0.00 0.00 -4.81 1.61 9.92 -1.26 -0.58 116.55 121.42 1rqm n ASP 17 Ca 0.00 0.44 -0.30 0.00 -0.53 0.00 0.00 54.79 54.39 1rqm n ASP 17 Cb 0.00 -0.47 0.08 0.00 -0.64 0.00 0.00 41.12 40.09 1rqm n ASP 17 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1rqm s GLY 18 N -2.94 1.63 -0.30 0.44 0.00 -1.26 -4.16 107.32 100.73 1rqm s GLY 18 Ca 0.08 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 44.33 1rqm s GLY 18 CO 0.27 0.22 1.88 2.56 0.00 0.00 0.00 173.10 178.03 1rqm s PRO 19 N -5.17 3.32 0.02 2.90 0.04 -1.26 -4.12 135.00 130.74 1rqm s PRO 19 Ca 0.60 1.58 0.08 0.00 0.04 0.00 0.00 61.00 63.30 1rqm s PRO 19 Cb -0.14 -4.23 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 1rqm s PRO 19 CO 0.54 -1.87 -0.23 0.08 0.04 0.00 0.00 177.00 175.56 1rqm s VAL 20 N 7.07 1.88 0.10 -0.36 1.01 -0.48 -0.35 120.40 129.26 1rqm s VAL 20 Ca 0.84 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1rqm s VAL 20 Cb -0.25 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1rqm s VAL 20 CO 0.34 0.39 -0.09 -1.48 0.00 0.00 0.00 175.10 174.26 1rqm s LEU 21 N -0.91 2.42 -0.10 3.92 0.05 0.02 -0.00 118.68 124.08 1rqm s LEU 21 Ca 0.09 -0.83 0.01 0.00 0.05 0.00 0.00 54.13 53.45 1rqm s LEU 21 Cb -0.09 -0.27 0.02 0.00 -2.05 0.00 0.00 46.19 43.80 1rqm s LEU 21 CO 0.01 -0.29 -0.10 -0.69 -0.55 0.00 0.00 176.35 174.72 1rqm s VAL 22 N -2.58 1.14 -0.61 1.48 1.01 -0.09 -1.78 120.40 118.98 1rqm s VAL 22 Ca 0.06 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1rqm s VAL 22 Cb -0.02 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.34 1rqm s VAL 22 CO -0.01 0.37 0.83 -0.62 0.00 0.00 0.00 175.10 175.68 1rqm s ASP 23 N 1.24 6.19 -0.45 3.32 2.15 0.78 -2.32 116.67 127.58 1rqm s ASP 23 Ca -0.03 -1.11 -0.22 0.00 0.43 0.00 0.00 52.55 51.62 1rqm s ASP 23 Cb -0.14 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1rqm s ASP 23 CO -0.03 -1.26 0.74 -0.36 -0.17 0.00 0.00 175.17 174.09 1rqm s PHE 24 N 3.41 3.01 0.07 -5.34 0.08 0.45 -0.92 117.98 118.74 1rqm s PHE 24 Ca 0.18 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.30 1rqm s PHE 24 Cb -0.20 -3.56 -0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1rqm s PHE 24 CO 0.09 -0.96 0.05 -2.67 -0.10 0.00 0.00 175.22 171.63 1rqm n TRP 25 N 6.57 -0.10 -3.84 0.36 4.27 -0.93 -1.23 117.44 122.53 1rqm n TRP 25 Ca 0.01 -0.53 -0.07 0.00 -3.89 0.00 0.00 57.50 53.02 1rqm n TRP 25 Cb 0.48 0.04 -0.02 0.00 -1.36 0.00 0.00 31.31 30.45 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 -2.25 -1.27 -0.39 -1.67 0.00 -1.26 -0.47 121.76 114.45 1rqm s ALA 26 Ca 0.07 -0.26 0.23 0.00 0.00 0.00 0.00 51.96 51.99 1rqm s ALA 26 Cb 0.00 0.82 1.04 0.00 0.00 0.00 0.00 23.12 24.98 1rqm s ALA 26 CO 0.05 -1.04 1.69 0.00 0.00 0.00 0.00 175.76 176.45 1rqm n ALA 27 N -0.46 1.44 -0.02 0.00 0.00 -1.26 -3.82 120.51 116.39 1rqm n ALA 27 Ca -0.04 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1rqm n ALA 27 Cb 0.59 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1rqm n ALA 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1rqm n TRP 28 N -2.24 0.00 0.17 0.00 2.14 -1.26 -4.88 117.44 111.37 1rqm n TRP 28 Ca 0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.58 1rqm n TRP 28 Cb 0.16 -0.23 0.00 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 1.19 1.56 0.17 0.00 0.00 -1.26 -2.08 105.19 104.76 1rqm n GLY 30 Ca 0.00 0.48 0.11 0.00 0.00 0.00 0.00 46.02 46.61 1rqm n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rqm n PRO 31 N 0.29 0.14 -0.04 1.61 -0.04 -1.26 -0.47 135.00 135.23 1rqm n PRO 31 Ca 0.00 0.64 0.19 0.00 -0.04 0.00 0.00 63.50 64.29 1rqm n PRO 31 Cb 0.00 -1.97 0.65 0.00 -0.04 0.00 0.00 33.50 32.13 1rqm n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rqm n ARG 33 N -4.40 0.22 -0.06 0.00 0.63 0.37 -0.33 116.66 113.11 1rqm n ARG 33 Ca 0.11 0.13 -0.06 0.00 -0.92 0.00 0.00 57.85 57.11 1rqm n ARG 33 Cb 0.60 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.92 1rqm n ARG 33 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1rqm n MET 34 N -1.31 2.08 -0.00 -0.14 2.81 0.01 -4.44 117.12 116.12 1rqm n MET 34 Ca 0.08 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.80 1rqm n MET 34 Cb 0.15 -1.29 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.45 -0.29 0.03 1.85 -0.94 -3.00 114.93 113.03 1rqm h MET 35 Ca -0.31 -0.44 0.05 0.00 -0.61 0.00 0.00 59.70 58.39 1rqm h MET 35 Cb 1.69 0.12 -0.04 0.00 0.43 0.00 0.00 31.60 33.79 1rqm h MET 35 CO 0.01 1.09 0.02 0.00 -0.40 0.00 0.00 176.91 177.63 1rqm h ALA 36 N 0.37 0.27 -0.36 0.39 0.00 -0.93 0.24 119.26 119.25 1rqm h ALA 36 Ca -0.06 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1rqm h ALA 36 Cb 1.27 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1rqm h ALA 36 CO 0.12 -0.39 0.03 -1.00 0.00 0.00 0.00 179.25 178.00 1rqm h PRO 37 N 0.11 0.55 -0.21 0.00 0.13 -1.78 0.21 132.00 131.02 1rqm h PRO 37 Ca 0.14 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 65.08 1rqm h PRO 37 Cb 0.17 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 1rqm h PRO 37 CO -0.22 0.56 -0.21 -0.24 -0.23 0.00 0.00 178.00 177.66 1rqm h VAL 38 N 0.54 1.24 0.00 1.56 3.04 -1.12 -1.85 116.25 119.66 1rqm h VAL 38 Ca 0.12 -1.11 -0.05 0.00 -1.01 0.00 0.00 66.70 64.65 1rqm h VAL 38 Cb 0.30 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 1rqm h VAL 38 CO 0.01 0.35 -0.24 -0.07 -1.01 0.00 0.00 177.57 176.60 1rqm h LEU 39 N 0.33 0.00 -0.33 3.16 4.07 0.01 -1.60 115.31 120.96 1rqm h LEU 39 Ca 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1rqm h LEU 39 Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1rqm h LEU 39 CO 0.04 0.24 0.01 -0.08 -1.08 0.00 0.00 178.44 177.57 1rqm h GLU 40 N 0.00 0.57 -0.15 1.13 4.57 0.01 0.15 114.58 120.87 1rqm h GLU 40 Ca -0.00 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1rqm h GLU 40 Cb 0.98 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1rqm h GLU 40 CO 0.03 0.69 0.07 1.49 -1.18 0.00 0.00 179.01 180.11 1rqm h GLU 41 N 0.38 0.14 -0.42 1.92 4.81 -1.21 0.76 114.58 120.96 1rqm h GLU 41 Ca 0.09 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1rqm h GLU 41 Cb 0.43 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1rqm h GLU 41 CO 0.01 0.10 -0.06 0.35 -0.73 0.00 0.00 179.01 178.68 1rqm h PHE 42 N 0.15 -0.14 0.15 0.92 3.04 -1.08 -1.40 116.94 118.58 1rqm h PHE 42 Ca 0.06 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1rqm h PHE 42 Cb 0.02 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1rqm h PHE 42 CO -0.09 -0.14 -0.07 0.00 -2.02 0.00 0.00 178.31 175.98 1rqm h ALA 43 N 1.40 -0.20 -0.43 2.41 0.00 -0.42 -2.97 119.26 119.05 1rqm h ALA 43 Ca 0.20 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1rqm h ALA 43 Cb 0.30 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1rqm h ALA 43 CO -0.39 -0.48 0.11 1.49 0.00 0.00 0.00 179.25 179.98 1rqm h GLU 44 N -0.45 0.25 0.00 0.00 4.22 -0.67 0.53 114.58 118.46 1rqm h GLU 44 Ca -0.02 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1rqm h GLU 44 Cb 0.36 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1rqm h GLU 44 CO 0.03 0.17 0.00 0.00 -2.18 0.00 0.00 179.01 177.03 1rqm h ALA 45 N 1.31 1.00 0.00 2.92 0.00 -1.25 -3.26 119.26 119.99 1rqm h ALA 45 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1rqm h ALA 45 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rqm h ALA 45 CO -0.25 0.00 -0.18 0.72 0.00 0.00 0.00 179.25 179.54 1rqm n HIS 46 N -2.62 0.00 -0.32 0.00 8.25 -0.61 -4.94 115.22 114.98 1rqm n HIS 46 Ca -0.00 -0.14 0.13 0.00 -0.26 0.00 0.00 57.72 57.45 1rqm n HIS 46 Cb 0.16 -0.04 0.28 0.00 1.12 0.00 0.00 29.99 31.51 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rqm h ALA 47 N 0.00 1.17 0.00 -1.41 0.00 -0.98 0.17 119.26 118.21 1rqm h ALA 47 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1rqm h ALA 47 Cb 1.09 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1rqm h ALA 47 CO 0.00 -0.54 -0.40 -0.25 0.00 0.00 0.00 179.25 178.06 1rqm n ASP 48 N -5.40 0.61 0.03 0.00 9.92 -1.26 -3.89 116.55 116.56 1rqm n ASP 48 Ca 0.22 0.19 0.07 0.00 -0.53 0.00 0.00 54.79 54.74 1rqm n ASP 48 Cb 0.71 -0.10 -0.09 0.00 -0.64 0.00 0.00 41.12 41.01 1rqm n ASP 48 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1rqm n LYS 49 N -1.97 0.63 -3.74 -1.24 4.81 0.53 -4.94 118.16 112.25 1rqm n LYS 49 Ca 0.05 0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 1rqm n LYS 49 Cb 0.41 -1.69 -0.11 0.00 0.02 0.00 0.00 35.03 33.65 1rqm n LYS 49 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1rqm s VAL 50 N -3.26 -0.01 -1.08 3.15 0.11 -0.74 -4.82 120.40 113.75 1rqm s VAL 50 Ca -0.04 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.82 1rqm s VAL 50 Cb 0.11 -0.49 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1rqm s VAL 50 CO 0.84 0.01 1.63 -0.89 -3.33 0.00 0.00 175.10 173.36 1rqm s THR 51 N 0.48 3.87 0.61 5.04 2.01 0.52 -4.56 115.64 123.60 1rqm s THR 51 Ca -0.02 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 1rqm s THR 51 Cb -0.04 -4.90 -0.04 0.00 0.01 0.00 0.00 72.50 67.52 1rqm s THR 51 CO -0.02 -1.75 1.01 -0.69 -0.69 0.00 0.00 174.62 172.48 1rqm s VAL 52 N 5.98 4.71 0.09 3.82 1.01 -0.84 -0.80 120.40 134.38 1rqm s VAL 52 Ca 0.53 0.86 -0.25 0.00 0.00 0.00 0.00 61.98 63.11 1rqm s VAL 52 Cb -0.00 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.60 1rqm s VAL 52 CO -0.03 -1.11 0.69 0.00 0.00 0.00 0.00 175.10 174.65 1rqm s ALA 53 N -3.13 -1.68 -0.04 5.51 0.00 -0.73 0.20 121.76 121.89 1rqm s ALA 53 Ca 0.55 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1rqm s ALA 53 Cb -0.11 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1rqm s ALA 53 CO 0.52 -0.70 -0.02 0.21 0.00 0.00 0.00 175.76 175.77 1rqm s LYS 54 N -3.30 0.59 0.01 0.00 2.20 -0.31 -0.16 119.74 118.77 1rqm s LYS 54 Ca 0.01 -0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 55.46 1rqm s LYS 54 Cb -0.01 -0.68 0.02 0.00 -1.51 0.00 0.00 37.83 35.65 1rqm s LYS 54 CO -0.10 -0.11 0.31 -0.48 -0.36 0.00 0.00 175.35 174.61 1rqm s LEU 55 N 0.99 0.87 -0.58 5.43 -0.00 -0.10 -2.30 118.68 122.99 1rqm s LEU 55 Ca -0.10 -0.01 -0.23 0.00 -0.00 0.00 0.00 54.13 53.78 1rqm s LEU 55 Cb -0.14 1.29 0.05 0.00 -0.00 0.00 0.00 46.19 47.40 1rqm s LEU 55 CO -0.01 -0.51 0.94 0.21 -0.00 0.00 0.00 176.35 176.98 1rqm s ASN 56 N -1.59 6.28 0.59 1.48 2.47 -1.26 -2.19 114.94 120.72 1rqm s ASN 56 Ca -0.11 -0.57 0.32 0.00 0.42 0.00 0.00 52.86 52.92 1rqm s ASN 56 Cb -0.04 -2.42 1.83 0.00 -1.45 0.00 0.00 41.25 39.17 1rqm s ASN 56 CO 0.02 -1.28 2.23 1.62 -3.72 0.00 0.00 177.10 175.96 1rqm h VAL 57 N 6.00 0.45 -0.34 -5.21 3.04 -1.06 -0.27 116.25 118.87 1rqm h VAL 57 Ca -0.27 -0.12 -0.10 0.00 -1.01 0.00 0.00 66.70 65.20 1rqm h VAL 57 Cb 1.07 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1rqm h VAL 57 CO 1.11 0.03 -0.17 -0.78 -1.01 0.00 0.00 177.57 176.75 1rqm h ASP 58 N 0.00 0.74 1.66 3.17 3.58 -1.92 -3.12 116.42 120.52 1rqm h ASP 58 Ca -0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1rqm h ASP 58 Cb 0.08 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1rqm h ASP 58 CO 0.00 0.98 -0.16 -0.08 -2.88 0.00 0.00 179.24 177.10 1rqm h GLU 59 N 0.49 0.00 -3.23 0.28 4.81 -1.65 -3.37 114.58 111.90 1rqm h GLU 59 Ca 0.07 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.59 1rqm h GLU 59 Cb 0.71 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 29.74 1rqm h GLU 59 CO 0.05 0.00 -0.01 -1.71 -0.73 0.00 0.00 179.01 176.61 1rqm n ASN 60 N -2.75 4.45 0.19 1.04 4.05 -0.22 -4.87 115.26 117.15 1rqm n ASN 60 Ca 0.04 -3.17 0.13 0.00 0.45 0.00 0.00 54.58 52.03 1rqm n ASN 60 Cb 0.50 -1.07 0.36 0.00 1.23 0.00 0.00 39.78 40.80 1rqm n ASN 60 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1rqm h PRO 61 N 5.87 0.00 -6.47 1.20 0.13 -1.74 -3.40 132.00 127.59 1rqm h PRO 61 Ca 0.17 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.77 1rqm h PRO 61 Cb 0.79 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.94 1rqm h PRO 61 CO 0.91 0.00 0.98 -2.00 -0.23 0.00 0.00 178.00 177.66 1rqm s GLU 62 N -3.28 4.20 0.00 0.86 2.56 -1.26 -1.35 118.70 120.43 1rqm s GLU 62 Ca 0.07 2.33 0.00 0.00 0.00 0.00 0.00 54.97 57.37 1rqm s GLU 62 Cb 0.08 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.67 1rqm s GLU 62 CO 0.60 -0.72 0.00 2.41 -0.56 0.00 0.00 175.26 176.99 1rqm n THR 63 N 4.62 0.00 0.00 -1.70 -1.04 -1.26 -4.68 114.28 110.22 1rqm n THR 63 Ca 0.16 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.07 1rqm n THR 63 Cb 0.40 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.37 -0.71 12.58 2.02 -1.74 -2.20 112.91 123.23 1rqm h THR 64 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1rqm h THR 64 Cb 0.00 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1rqm h THR 64 CO 0.00 0.00 0.36 -1.28 0.37 0.00 0.00 175.52 174.97 1rqm h SER 65 N -0.34 0.91 -0.72 4.18 0.87 -1.49 -0.62 113.55 116.34 1rqm h SER 65 Ca 0.10 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1rqm h SER 65 Cb 0.49 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1rqm h SER 65 CO -0.32 0.77 0.43 -0.61 -0.53 0.00 0.00 176.83 176.57 1rqm h GLN 66 N 0.99 0.98 -0.36 2.24 4.15 -1.73 -2.86 115.11 118.52 1rqm h GLN 66 Ca 0.25 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1rqm h GLN 66 Cb 0.08 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1rqm h GLN 66 CO -0.04 0.70 0.00 1.19 -1.93 0.00 0.00 178.83 178.75 1rqm n PHE 67 N -4.52 0.46 -2.52 3.99 3.01 -0.86 -4.95 117.46 112.07 1rqm n PHE 67 Ca 0.06 -0.23 -0.12 0.00 1.01 0.00 0.00 57.45 58.18 1rqm n PHE 67 Cb 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.54 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 1.40 -0.00 3.58 1.37 0.00 -0.69 -4.89 105.19 105.95 1rqm n GLY 68 Ca 0.19 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.77 3.84 0.00 -0.61 -1.09 -0.32 -4.49 121.20 115.76 1rqm s ILE 69 Ca 0.11 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 1rqm s ILE 69 Cb -0.05 -4.87 0.00 0.00 -1.58 0.00 0.00 42.46 35.96 1rqm s ILE 69 CO 0.13 -1.58 0.29 0.23 -1.23 0.00 0.00 174.94 172.79 1rqm n MET 70 N 8.47 1.43 -0.23 2.79 2.81 -1.26 -4.86 117.12 126.27 1rqm n MET 70 Ca 0.45 -0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1rqm n MET 70 Cb 0.47 -0.77 0.09 0.00 -0.71 0.00 0.00 33.22 32.29 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1rqm n SER 71 N -0.29 2.33 -4.68 7.83 2.88 -1.26 -4.97 113.62 115.46 1rqm n SER 71 Ca 0.00 -2.25 -0.40 0.00 -1.33 0.00 0.00 58.87 54.89 1rqm n SER 71 Cb 0.02 -0.55 0.02 0.00 -0.75 0.00 0.00 64.21 62.95 1rqm n SER 71 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1rqm n ILE 72 N 0.14 2.82 -2.05 2.46 -5.35 -1.26 -3.98 119.36 112.14 1rqm n ILE 72 Ca 0.08 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.65 1rqm n ILE 72 Cb 0.53 -1.44 -0.02 0.00 -1.74 0.00 0.00 39.64 36.97 1rqm n ILE 72 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1rqm s PRO 73 N -2.31 4.31 0.03 6.28 0.04 -1.26 -4.80 135.00 137.28 1rqm s PRO 73 Ca 0.64 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.98 1rqm s PRO 73 Cb -0.50 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1rqm s PRO 73 CO 0.55 -0.27 -0.05 0.99 0.04 0.00 0.00 177.00 178.26 1rqm s THR 74 N -0.97 0.31 -0.06 1.26 2.01 -0.36 -0.99 115.64 116.83 1rqm s THR 74 Ca 0.51 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 1rqm s THR 74 Cb -0.41 -0.41 0.03 0.00 0.01 0.00 0.00 72.50 71.72 1rqm s THR 74 CO 0.53 -0.40 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.82 1rqm s LEU 75 N -1.40 0.87 0.08 4.42 0.20 -0.20 -0.42 118.68 122.23 1rqm s LEU 75 Ca -0.12 -0.10 0.08 0.00 0.69 0.00 0.00 54.13 54.67 1rqm s LEU 75 Cb -0.09 -0.45 -0.03 0.00 -0.43 0.00 0.00 46.19 45.19 1rqm s LEU 75 CO -0.00 -0.14 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.07 1rqm s ILE 76 N 1.59 1.70 -0.09 6.68 1.01 -0.98 -0.13 121.20 130.97 1rqm s ILE 76 Ca -0.01 -1.39 0.01 0.00 0.00 0.00 0.00 60.65 59.26 1rqm s ILE 76 Cb -0.13 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.85 1rqm s ILE 76 CO -0.04 0.06 -0.09 -0.22 0.00 0.00 0.00 174.94 174.65 1rqm s LEU 77 N -1.58 1.37 0.15 2.97 0.20 -0.77 -0.91 118.68 120.10 1rqm s LEU 77 Ca 0.07 -0.30 0.09 0.00 0.69 0.00 0.00 54.13 54.69 1rqm s LEU 77 Cb -0.09 -0.83 -0.04 0.00 -0.43 0.00 0.00 46.19 44.80 1rqm s LEU 77 CO 0.03 -0.06 -0.16 -0.36 -0.29 0.00 0.00 176.35 175.51 1rqm s PHE 78 N 1.29 2.53 -0.05 5.38 0.40 1.00 -0.12 117.98 128.41 1rqm s PHE 78 Ca -0.03 -0.27 -0.22 0.00 -0.60 0.00 0.00 56.93 55.82 1rqm s PHE 78 Cb -0.14 -1.29 0.05 0.00 0.51 0.00 0.00 43.02 42.15 1rqm s PHE 78 CO -0.04 0.45 0.48 -1.59 0.70 0.00 0.00 175.22 175.22 1rqm s LYS 79 N -2.45 0.82 -1.41 0.44 0.00 -0.31 -1.38 119.74 115.45 1rqm s LYS 79 Ca 0.21 0.09 0.00 0.00 0.00 0.00 0.00 55.97 56.27 1rqm s LYS 79 Cb -0.10 0.38 0.00 0.00 0.00 0.00 0.00 37.83 38.11 1rqm s LYS 79 CO 0.12 -0.23 0.00 0.41 0.00 0.00 0.00 175.35 175.64 1rqm n GLY 80 N 1.28 1.30 3.07 0.59 0.00 0.25 -1.91 105.19 109.78 1rqm n GLY 80 Ca -0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1rqm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqm n GLY 81 N -1.30 0.50 3.30 -0.02 0.00 -0.59 -4.72 105.19 102.35 1rqm n GLY 81 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.54 2.13 -0.04 1.61 2.12 -0.80 -4.94 118.70 118.24 1rqm s GLU 82 Ca 0.00 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 1rqm s GLU 82 Cb 0.00 -2.02 -0.03 0.00 0.26 0.00 0.00 34.13 32.34 1rqm s GLU 82 CO 0.00 0.52 1.19 -1.25 -0.54 0.00 0.00 175.26 175.18 1rqm s PRO 83 N -0.53 4.37 -0.01 4.30 0.04 -1.26 -1.16 135.00 140.74 1rqm s PRO 83 Ca 0.08 1.66 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 1rqm s PRO 83 Cb -0.10 -3.53 -0.29 0.00 0.04 0.00 0.00 34.50 30.62 1rqm s PRO 83 CO -0.00 -0.41 1.00 -0.24 0.04 0.00 0.00 177.00 177.39 1rqm h VAL 84 N 4.95 1.44 -3.10 -0.36 3.04 -0.86 -3.48 116.25 117.88 1rqm h VAL 84 Ca -0.35 -2.39 0.05 0.00 -1.01 0.00 0.00 66.70 63.00 1rqm h VAL 84 Cb 1.17 2.92 -0.06 0.00 -2.01 0.00 0.00 31.29 33.32 1rqm h VAL 84 CO 0.87 0.69 0.18 -1.59 -1.01 0.00 0.00 177.57 176.71 1rqm s LYS 85 N -2.77 1.75 0.07 4.17 -2.85 -1.22 -5.06 119.74 113.83 1rqm s LYS 85 Ca -0.13 -1.03 0.01 0.00 -1.00 0.00 0.00 55.97 53.83 1rqm s LYS 85 Cb 0.03 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.35 1rqm s LYS 85 CO 0.85 -0.79 -0.06 1.14 0.10 0.00 0.00 175.35 176.59 1rqm s GLN 86 N -3.93 0.69 0.05 1.78 0.00 -1.26 -1.85 119.66 115.13 1rqm s GLN 86 Ca 0.13 -1.14 0.08 0.00 -0.00 0.00 0.00 55.36 54.43 1rqm s GLN 86 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 33.01 32.82 1rqm s GLN 86 CO 0.07 -0.03 -0.22 -0.51 0.00 0.00 0.00 175.29 174.60 1rqm s LEU 87 N -2.60 2.18 0.05 2.60 2.01 0.81 -5.00 118.68 118.73 1rqm s LEU 87 Ca 0.04 -0.56 0.00 0.00 0.01 0.00 0.00 54.13 53.63 1rqm s LEU 87 Cb 0.02 -1.05 -0.03 0.00 0.01 0.00 0.00 46.19 45.13 1rqm s LEU 87 CO -0.05 0.18 -0.04 0.27 1.01 0.00 0.00 176.35 177.72 1rqm s ILE 88 N -0.83 0.31 0.23 -0.59 -4.36 -1.26 -1.04 121.20 113.66 1rqm s ILE 88 Ca 0.09 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1rqm s ILE 88 Cb -0.09 -1.10 0.00 0.00 1.25 0.00 0.00 42.46 42.51 1rqm s ILE 88 CO 0.02 -0.77 0.00 0.61 0.24 0.00 0.00 174.94 175.04 1rqm n GLY 89 N 0.64 -1.75 3.69 6.27 0.00 -0.16 -4.69 105.19 109.21 1rqm n GLY 89 Ca -0.17 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.90 2.99 -0.05 1.61 6.14 -1.26 -4.74 117.35 120.14 1rqm s TYR 90 Ca 0.00 0.93 0.04 0.00 0.64 0.00 0.00 57.07 58.68 1rqm s TYR 90 Cb 0.00 -3.61 -0.00 0.00 0.42 0.00 0.00 41.96 38.77 1rqm s TYR 90 CO 0.00 -2.20 -0.17 -0.65 0.64 0.00 0.00 175.55 173.18 1rqm s GLN 91 N 2.11 1.80 0.82 4.97 -1.52 -1.26 -5.14 119.66 121.44 1rqm s GLN 91 Ca 0.62 -0.59 -0.11 0.00 -1.95 0.00 0.00 55.36 53.34 1rqm s GLN 91 Cb -0.31 -1.55 0.09 0.00 -0.22 0.00 0.00 33.01 31.03 1rqm s GLN 91 CO 0.27 0.21 1.13 -1.25 -0.25 0.00 0.00 175.29 175.40 1rqm s PRO 92 N 0.13 1.73 0.38 2.91 0.04 -1.26 -4.66 135.00 134.27 1rqm s PRO 92 Ca -0.06 1.41 0.16 0.00 0.04 0.00 0.00 61.00 62.55 1rqm s PRO 92 Cb -0.12 -1.82 1.04 0.00 0.04 0.00 0.00 34.50 33.64 1rqm s PRO 92 CO 0.03 -2.07 1.78 0.87 0.04 0.00 0.00 177.00 177.64 1rqm h LYS 93 N -1.31 0.44 -0.05 4.56 1.79 -1.98 0.11 116.57 120.12 1rqm h LYS 93 Ca -0.44 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1rqm h LYS 93 Cb 1.25 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 1rqm h LYS 93 CO 0.47 0.29 -0.02 0.93 -1.08 0.00 0.00 179.45 180.04 1rqm h GLU 94 N 0.45 -0.01 -0.06 3.15 5.08 -1.99 -0.97 114.58 120.23 1rqm h GLU 94 Ca 0.58 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.73 1rqm h GLU 94 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1rqm h GLU 94 CO -0.31 -0.01 -0.83 0.37 -1.00 0.00 0.00 179.01 177.23 1rqm h GLN 95 N -0.01 0.52 0.47 2.33 5.75 -1.20 0.16 115.11 123.12 1rqm h GLN 95 Ca 0.03 -0.47 -0.02 0.00 -0.15 0.00 0.00 58.65 58.04 1rqm h GLN 95 Cb 0.06 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1rqm h GLN 95 CO -0.06 1.10 -0.34 1.25 -2.65 0.00 0.00 178.83 178.13 1rqm h LEU 96 N 0.33 -0.89 -1.42 -2.39 7.12 -1.09 0.16 115.31 117.12 1rqm h LEU 96 Ca -0.06 0.06 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 1rqm h LEU 96 Cb 1.44 0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 41.83 1rqm h LEU 96 CO 0.15 -0.49 -0.15 -0.08 -0.13 0.00 0.00 178.44 177.74 1rqm h GLU 97 N -0.77 0.20 -0.31 1.25 4.81 -1.15 0.14 114.58 118.75 1rqm h GLU 97 Ca -0.06 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 1rqm h GLU 97 Cb 0.64 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1rqm h GLU 97 CO 0.03 0.35 -0.10 0.00 -0.73 0.00 0.00 179.01 178.56 1rqm h ALA 98 N 1.67 0.43 -0.46 2.92 0.00 -0.83 0.28 119.26 123.27 1rqm h ALA 98 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1rqm h ALA 98 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1rqm h ALA 98 CO 0.02 0.28 -0.15 0.37 0.00 0.00 0.00 179.25 179.78 1rqm h GLN 99 N 0.38 0.87 -0.00 0.00 5.75 -0.10 -3.20 115.11 118.80 1rqm h GLN 99 Ca 0.07 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1rqm h GLN 99 Cb 0.60 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1rqm h GLN 99 CO 0.04 0.96 -0.20 -0.11 -2.65 0.00 0.00 178.83 176.87 1rqm n LEU 100 N -4.14 0.53 -0.28 -2.39 7.94 0.45 -4.43 117.00 114.68 1rqm n LEU 100 Ca 0.01 0.01 0.27 0.00 -1.11 0.00 0.00 56.01 55.19 1rqm n LEU 100 Cb 0.40 -0.22 0.62 0.00 0.53 0.00 0.00 43.42 44.75 1rqm n LEU 100 CO 0.44 0.10 1.25 0.00 -1.11 0.00 0.00 177.39 178.08 1rqm h ALA 101 N 3.43 2.58 0.00 1.96 0.00 -0.94 -1.18 119.26 125.12 1rqm h ALA 101 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rqm h ALA 101 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rqm h ALA 101 CO 0.00 -0.92 0.00 -0.40 0.00 0.00 0.00 179.25 177.93 1rqm n ASP 102 N -4.42 0.00 0.00 0.00 5.68 -1.26 -0.13 116.55 116.41 1rqm n ASP 102 Ca 0.23 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 1rqm n ASP 102 Cb 0.96 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1rqm n ASP 102 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1rqm n VAL 103 N -1.33 0.29 0.25 2.12 3.14 -0.45 -4.71 118.33 117.63 1rqm n VAL 103 Ca 0.03 -0.63 0.04 0.00 -2.96 0.00 0.00 64.34 60.82 1rqm n VAL 103 Cb 0.07 0.87 -0.05 0.00 -1.06 0.00 0.00 33.84 33.66 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 -0.14 0.25 0.00 6.55 7.99 -0.08 -4.95 117.00 126.62 1rqm n LEU 104 Ca 0.00 -0.33 0.02 0.00 -0.01 0.00 0.00 56.01 55.69 1rqm n LEU 104 Cb 0.08 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.48 1rqm n LEU 104 CO 0.00 0.06 0.33 1.67 -1.51 0.00 0.00 177.39 177.95