#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm s THR 2 N 0.00 1.44 0.00 0.00 2.01 -1.26 -5.02 115.64 112.81 1rqm s THR 2 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1rqm s THR 2 Cb 0.00 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1rqm s THR 2 CO 0.00 0.00 0.00 0.80 -0.69 0.00 0.00 174.62 174.73 1rqm n MET 3 N -5.51 0.00 -1.51 4.92 0.00 -1.12 -4.46 117.12 109.44 1rqm n MET 3 Ca 0.09 0.00 -0.50 0.00 -0.00 0.00 0.00 57.70 57.29 1rqm n MET 3 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.76 1rqm n MET 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1rqm n THR 4 N 0.00 1.27 -4.17 1.12 -1.04 -1.26 -4.07 114.28 106.13 1rqm n THR 4 Ca 0.00 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 61.56 1rqm n THR 4 Cb 0.00 -0.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.99 1rqm n THR 4 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1rqm s LEU 5 N 1.29 1.13 0.44 -4.42 2.34 -1.03 -4.88 118.68 113.55 1rqm s LEU 5 Ca 0.71 -1.41 0.04 0.00 0.06 0.00 0.00 54.13 53.53 1rqm s LEU 5 Cb -0.93 0.75 -0.02 0.00 -0.56 0.00 0.00 46.19 45.44 1rqm s LEU 5 CO 0.55 -0.99 0.13 0.28 -1.06 0.00 0.00 176.35 175.27 1rqm s THR 6 N -3.86 0.55 0.10 5.48 -1.32 -1.26 -4.63 115.64 110.70 1rqm s THR 6 Ca 0.36 -2.00 -0.34 0.00 -1.21 0.00 0.00 61.69 58.50 1rqm s THR 6 Cb 0.04 -2.26 -0.13 0.00 -1.51 0.00 0.00 72.50 68.64 1rqm s THR 6 CO 0.16 0.00 1.57 -0.78 -2.21 0.00 0.00 174.62 173.36 1rqm h ASP 7 N 1.68 -1.42 0.28 8.08 1.82 -1.98 0.13 116.42 125.01 1rqm h ASP 7 Ca -0.35 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1rqm h ASP 7 Cb 1.28 0.52 0.00 0.00 0.68 0.00 0.00 39.33 41.81 1rqm h ASP 7 CO 0.56 -0.55 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 1rqm h ALA 8 N -0.46 1.00 0.00 -0.78 0.00 -1.98 -1.75 119.26 115.30 1rqm h ALA 8 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 8 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1rqm h ALA 8 CO -0.23 0.00 -1.60 -1.71 0.00 0.00 0.00 179.25 175.71 1rqm n ASN 9 N -2.50 0.65 -0.06 0.00 2.85 0.02 -4.13 115.26 112.09 1rqm n ASN 9 Ca -0.01 -0.27 -0.10 0.00 -0.11 0.00 0.00 54.58 54.09 1rqm n ASN 9 Cb 0.11 1.63 -0.04 0.00 1.24 0.00 0.00 39.78 42.73 1rqm n ASN 9 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1rqm h PHE 10 N 0.00 -1.06 -0.05 1.20 3.04 0.10 0.18 116.94 120.36 1rqm h PHE 10 Ca 0.00 0.05 0.04 0.00 3.98 0.00 0.00 57.97 62.04 1rqm h PHE 10 Cb 0.76 0.50 -0.05 0.00 2.56 0.00 0.00 35.95 39.72 1rqm h PHE 10 CO 0.00 -0.42 -0.29 1.96 -2.02 0.00 0.00 178.31 177.54 1rqm h GLN 11 N -0.36 -0.39 0.00 1.11 1.08 -1.77 0.11 115.11 114.89 1rqm h GLN 11 Ca 0.12 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1rqm h GLN 11 Cb 0.57 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1rqm h GLN 11 CO -0.47 -0.26 -0.02 1.96 -0.95 0.00 0.00 178.83 179.09 1rqm h GLN 12 N -0.40 0.00 0.11 1.46 4.20 -1.54 -0.86 115.11 118.08 1rqm h GLN 12 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1rqm h GLN 12 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1rqm h GLN 12 CO -0.28 0.02 -0.05 0.00 -0.67 0.00 0.00 178.83 177.85 1rqm h ALA 13 N 1.98 -0.22 -0.08 3.87 0.00 -0.14 -3.40 119.26 121.27 1rqm h ALA 13 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 13 Cb 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rqm h ALA 13 CO 0.00 -0.21 0.09 -0.84 0.00 0.00 0.00 179.25 178.29 1rqm h ILE 14 N -0.62 0.53 0.00 0.00 3.07 -0.38 0.33 117.51 120.43 1rqm h ILE 14 Ca -0.01 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.39 1rqm h ILE 14 Cb 0.11 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 37.59 1rqm h ILE 14 CO 0.02 0.00 -0.03 0.06 -1.05 0.00 0.00 178.15 177.15 1rqm h GLN 15 N 0.00 0.00 -7.08 0.16 -0.00 -1.38 0.12 115.11 106.93 1rqm h GLN 15 Ca 0.04 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.17 1rqm h GLN 15 Cb 0.22 0.00 0.09 0.00 -0.00 0.00 0.00 27.48 27.79 1rqm h GLN 15 CO -0.00 0.03 0.46 0.20 -0.00 0.00 0.00 178.83 179.52 1rqm s GLY 16 N -4.16 2.71 -0.69 0.06 0.00 0.10 -2.92 107.32 102.43 1rqm s GLY 16 Ca -0.04 0.95 -0.05 0.00 0.00 0.00 0.00 44.72 45.58 1rqm s GLY 16 CO 0.50 1.34 2.84 1.34 0.00 0.00 0.00 173.10 179.12 1rqm n ASP 17 N -1.35 6.84 -3.67 1.64 2.03 -1.26 -0.37 116.55 120.40 1rqm n ASP 17 Ca 0.12 -3.01 -0.08 0.00 0.52 0.00 0.00 54.79 52.34 1rqm n ASP 17 Cb 0.50 -1.32 -0.02 0.00 -0.72 0.00 0.00 41.12 39.55 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 0.80 -0.31 -0.47 0.27 0.00 -1.26 -4.96 107.32 101.38 1rqm s GLY 18 Ca 0.60 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 45.20 1rqm s GLY 18 CO -0.14 0.04 2.36 2.56 0.00 0.00 0.00 173.10 177.93 1rqm s PRO 19 N -3.69 2.23 -0.53 2.90 0.04 -1.26 -4.24 135.00 130.45 1rqm s PRO 19 Ca 0.08 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1rqm s PRO 19 Cb -0.03 -4.55 0.10 0.00 0.04 0.00 0.00 34.50 30.06 1rqm s PRO 19 CO -0.02 -3.14 0.53 0.08 0.04 0.00 0.00 177.00 174.49 1rqm s VAL 20 N 11.67 5.11 -0.41 -0.36 1.01 0.31 -0.61 120.40 137.13 1rqm s VAL 20 Ca 0.96 -1.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 1rqm s VAL 20 Cb -0.18 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 31.90 1rqm s VAL 20 CO 0.27 -0.85 1.00 -0.22 0.00 0.00 0.00 175.10 175.30 1rqm s LEU 21 N 1.91 3.90 -0.35 3.92 0.20 -0.00 -0.46 118.68 127.80 1rqm s LEU 21 Ca 0.06 0.54 -0.13 0.00 0.69 0.00 0.00 54.13 55.28 1rqm s LEU 21 Cb -0.27 -3.37 -0.01 0.00 -0.43 0.00 0.00 46.19 42.11 1rqm s LEU 21 CO 0.05 -1.00 0.26 0.54 -0.29 0.00 0.00 176.35 175.92 1rqm s VAL 22 N 3.81 5.27 -0.69 1.68 0.11 0.34 -0.69 120.40 130.23 1rqm s VAL 22 Ca 0.42 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.15 1rqm s VAL 22 Cb -0.10 -3.75 0.18 0.00 -1.53 0.00 0.00 36.38 31.18 1rqm s VAL 22 CO 0.23 -0.04 0.59 -0.62 -3.33 0.00 0.00 175.10 171.93 1rqm s ASP 23 N 1.72 6.17 -0.40 3.54 2.15 0.13 -2.20 116.67 127.79 1rqm s ASP 23 Ca 0.07 -2.49 -0.24 0.00 0.43 0.00 0.00 52.55 50.32 1rqm s ASP 23 Cb -0.17 -2.10 0.02 0.00 -0.30 0.00 0.00 42.92 40.37 1rqm s ASP 23 CO 0.11 -0.58 0.83 -0.36 -0.17 0.00 0.00 175.17 175.00 1rqm s PHE 24 N 0.49 3.05 0.28 -5.34 0.08 0.20 -0.81 117.98 115.93 1rqm s PHE 24 Ca 0.14 0.49 0.01 0.00 0.12 0.00 0.00 56.93 57.69 1rqm s PHE 24 Cb -0.18 -3.59 -0.00 0.00 -0.57 0.00 0.00 43.02 38.68 1rqm s PHE 24 CO -0.05 -0.86 0.04 -2.67 -0.10 0.00 0.00 175.22 171.58 1rqm n TRP 25 N 6.66 0.43 -3.71 0.36 4.27 -0.69 -1.34 117.44 123.43 1rqm n TRP 25 Ca 0.04 -1.52 -0.10 0.00 -3.89 0.00 0.00 57.50 52.03 1rqm n TRP 25 Cb 0.48 -0.12 -0.06 0.00 -1.36 0.00 0.00 31.31 30.26 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 -2.58 -0.74 -1.87 -1.67 0.00 -1.26 -0.22 121.76 113.41 1rqm s ALA 26 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1rqm s ALA 26 Cb 0.00 0.55 0.13 0.00 0.00 0.00 0.00 23.12 23.81 1rqm s ALA 26 CO 0.04 -0.56 0.68 0.00 0.00 0.00 0.00 175.76 175.92 1rqm n ALA 27 N 0.01 1.52 0.00 0.00 0.00 -1.26 -3.06 120.51 117.72 1rqm n ALA 27 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1rqm n ALA 27 Cb 0.62 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1rqm n ALA 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1rqm n TRP 28 N -1.06 0.00 -2.17 0.00 2.14 -1.26 -5.06 117.44 110.03 1rqm n TRP 28 Ca 0.02 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.19 1rqm n TRP 28 Cb 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 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 5.60 -1.21 0.23 0.00 0.00 -1.26 -0.53 105.19 108.01 1rqm n GLY 30 Ca 0.16 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.65 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 0.38 -0.01 1.61 0.13 -1.92 -2.60 132.00 129.59 1rqm h PRO 31 Ca 0.06 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 1rqm h PRO 31 Cb 0.15 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1rqm h PRO 31 CO -0.35 0.63 -0.46 0.00 -0.23 0.00 0.00 178.00 177.60 1rqm h ARG 33 N 0.03 0.00 0.00 0.00 1.12 -0.63 0.27 114.38 115.17 1rqm h ARG 33 Ca -0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 1rqm h ARG 33 Cb 0.82 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.74 1rqm h ARG 33 CO 0.06 0.01 -2.22 -1.33 -3.11 0.00 0.00 179.97 173.38 1rqm n MET 34 N -3.16 0.68 0.12 0.20 2.81 -0.66 -4.38 117.12 112.74 1rqm n MET 34 Ca -0.02 -0.08 -0.22 0.00 -1.81 0.00 0.00 57.70 55.57 1rqm n MET 34 Cb 0.16 -1.52 -0.15 0.00 -0.71 0.00 0.00 33.22 30.99 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 -0.52 0.03 4.05 -0.59 -3.20 114.93 115.16 1rqm h MET 35 Ca -0.33 -0.76 0.10 0.00 -0.28 0.00 0.00 59.70 58.44 1rqm h MET 35 Cb 1.74 0.28 -0.10 0.00 -0.80 0.00 0.00 31.60 32.73 1rqm h MET 35 CO 0.02 1.36 -0.17 0.00 0.23 0.00 0.00 176.91 178.35 1rqm h ALA 36 N 0.25 0.27 -0.20 0.39 0.00 -0.67 0.58 119.26 119.88 1rqm h ALA 36 Ca -0.25 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1rqm h ALA 36 Cb 2.11 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 20.35 1rqm h ALA 36 CO 0.24 -0.48 -0.21 -1.00 0.00 0.00 0.00 179.25 177.79 1rqm h PRO 37 N -0.04 0.35 -0.52 0.00 0.13 -1.76 -1.54 132.00 128.62 1rqm h PRO 37 Ca 0.25 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1rqm h PRO 37 Cb 0.42 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1rqm h PRO 37 CO -0.55 0.55 0.12 0.28 -0.23 0.00 0.00 178.00 178.17 1rqm h VAL 38 N 0.32 1.22 0.00 1.56 2.07 -0.83 -2.53 116.25 118.06 1rqm h VAL 38 Ca 0.05 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1rqm h VAL 38 Cb 0.56 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1rqm h VAL 38 CO 0.04 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.10 1rqm n LEU 39 N -4.28 0.00 -0.04 2.57 4.77 0.18 -1.21 117.00 118.99 1rqm n LEU 39 Ca 0.04 0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 56.18 1rqm n LEU 39 Cb 0.22 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 40.86 1rqm n LEU 39 CO 0.40 -0.02 0.30 -0.08 -1.33 0.00 0.00 177.39 176.66 1rqm h GLU 40 N 0.00 0.08 -0.63 3.23 4.81 -0.85 -1.34 114.58 119.89 1rqm h GLU 40 Ca 0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1rqm h GLU 40 Cb 0.31 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1rqm h GLU 40 CO 0.00 1.06 0.38 1.49 -0.73 0.00 0.00 179.01 181.21 1rqm h GLU 41 N -0.83 0.85 0.00 1.92 4.81 -1.48 -0.90 114.58 118.95 1rqm h GLU 41 Ca -0.04 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1rqm h GLU 41 Cb 1.17 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1rqm h GLU 41 CO 0.04 0.61 -0.00 0.35 -0.73 0.00 0.00 179.01 179.28 1rqm h PHE 42 N 0.85 0.00 0.39 0.92 3.57 -1.24 0.63 116.94 122.06 1rqm h PHE 42 Ca 0.23 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1rqm h PHE 42 Cb -0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1rqm h PHE 42 CO -0.02 0.00 -0.19 0.00 -2.23 0.00 0.00 178.31 175.88 1rqm h ALA 43 N 2.00 -0.52 -0.67 2.41 0.00 -0.05 -3.38 119.26 119.05 1rqm h ALA 43 Ca -0.00 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 43 Cb 0.19 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1rqm h ALA 43 CO 0.00 -0.49 0.23 1.49 0.00 0.00 0.00 179.25 180.48 1rqm h GLU 44 N -1.12 0.37 -0.17 0.00 4.81 -0.53 -2.14 114.58 115.80 1rqm h GLU 44 Ca -0.05 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1rqm h GLU 44 Cb 0.43 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1rqm h GLU 44 CO 0.09 0.24 0.26 0.00 -0.73 0.00 0.00 179.01 178.87 1rqm h ALA 45 N 1.49 1.69 -0.17 2.92 0.00 -1.07 -2.35 119.26 121.77 1rqm h ALA 45 Ca 0.36 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 1rqm h ALA 45 Cb 0.51 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.03 1rqm h ALA 45 CO -0.38 -0.35 -0.75 -2.39 0.00 0.00 0.00 179.25 175.38 1rqm n HIS 46 N -3.52 -0.09 0.17 0.00 1.44 -1.13 -5.04 115.22 107.04 1rqm n HIS 46 Ca 0.02 -1.48 0.18 0.00 -2.01 0.00 0.00 57.72 54.43 1rqm n HIS 46 Cb 0.37 0.39 0.71 0.00 0.12 0.00 0.00 29.99 31.58 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 1.49 1.91 0.00 1.59 0.00 -0.82 -0.46 119.26 122.97 1rqm h ALA 47 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1rqm h ALA 47 Cb 1.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1rqm h ALA 47 CO -0.00 -0.65 0.00 -3.47 0.00 0.00 0.00 179.25 175.13 1rqm n ASP 48 N -3.33 0.85 0.10 0.00 2.03 -1.26 -4.28 116.55 110.67 1rqm n ASP 48 Ca 0.05 -1.01 -0.03 0.00 0.52 0.00 0.00 54.79 54.32 1rqm n ASP 48 Cb 0.63 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.06 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 -5.37 -0.67 3.64 -1.49 -3.46 116.57 109.22 1rqm h LYS 49 Ca 0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 1rqm h LYS 49 Cb 0.08 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 31.64 1rqm h LYS 49 CO 0.00 0.77 -0.81 0.14 -2.27 0.00 0.00 179.45 177.29 1rqm s VAL 50 N -3.13 1.16 0.25 2.00 -7.23 -1.16 -4.74 120.40 107.55 1rqm s VAL 50 Ca 0.00 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 1rqm s VAL 50 Cb 0.11 -1.01 -0.09 0.00 0.56 0.00 0.00 36.38 35.95 1rqm s VAL 50 CO 0.78 0.16 1.32 -0.89 -0.31 0.00 0.00 175.10 176.16 1rqm s THR 51 N -0.61 2.98 -0.06 5.32 2.01 0.22 -4.79 115.64 120.71 1rqm s THR 51 Ca 0.04 0.87 0.06 0.00 0.31 0.00 0.00 61.69 62.96 1rqm s THR 51 Cb -0.07 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1rqm s THR 51 CO 0.00 0.16 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.16 1rqm s VAL 52 N -0.35 2.07 -0.36 3.82 1.01 -1.26 -0.82 120.40 124.50 1rqm s VAL 52 Ca 0.54 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1rqm s VAL 52 Cb -0.38 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.40 1rqm s VAL 52 CO 0.44 0.57 0.32 0.00 0.00 0.00 0.00 175.10 176.42 1rqm s ALA 53 N -0.10 0.04 0.18 5.51 0.00 0.14 -2.80 121.76 124.74 1rqm s ALA 53 Ca -0.06 -1.28 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 1rqm s ALA 53 Cb -0.14 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.01 1rqm s ALA 53 CO 0.04 -2.12 0.67 0.15 0.00 0.00 0.00 175.76 174.50 1rqm s LYS 54 N 1.32 4.21 0.01 0.00 1.02 -1.26 -0.69 119.74 124.35 1rqm s LYS 54 Ca 0.17 0.79 -0.25 0.00 0.02 0.00 0.00 55.97 56.71 1rqm s LYS 54 Cb -0.18 -2.96 0.06 0.00 -0.52 0.00 0.00 37.83 34.22 1rqm s LYS 54 CO -0.02 0.46 0.56 -0.48 -0.92 0.00 0.00 175.35 174.94 1rqm s LEU 55 N -1.80 -0.21 -0.51 3.17 -0.00 0.01 -2.47 118.68 116.87 1rqm s LEU 55 Ca 0.40 0.36 -0.28 0.00 -0.00 0.00 0.00 54.13 54.61 1rqm s LEU 55 Cb -0.17 2.20 0.01 0.00 -0.00 0.00 0.00 46.19 48.24 1rqm s LEU 55 CO 0.21 -0.66 1.38 0.21 -0.00 0.00 0.00 176.35 177.49 1rqm s ASN 56 N -1.63 6.25 0.28 1.48 2.47 -1.26 -1.71 114.94 120.81 1rqm s ASN 56 Ca -0.08 0.45 0.01 0.00 0.42 0.00 0.00 52.86 53.66 1rqm s ASN 56 Cb -0.01 -2.54 0.65 0.00 -1.45 0.00 0.00 41.25 37.89 1rqm s ASN 56 CO 0.03 -1.58 1.69 1.62 -3.72 0.00 0.00 177.10 175.15 1rqm h VAL 57 N 6.38 0.49 0.00 -5.21 3.04 -0.96 -1.06 116.25 118.94 1rqm h VAL 57 Ca -0.27 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.29 1rqm h VAL 57 Cb 1.09 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1rqm h VAL 57 CO 1.15 0.07 -0.05 0.44 -1.01 0.00 0.00 177.57 178.16 1rqm h ASP 58 N 0.37 0.00 0.74 3.17 5.19 -1.92 -0.82 116.42 123.15 1rqm h ASP 58 Ca 0.52 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.82 1rqm h ASP 58 Cb 0.95 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 1rqm h ASP 58 CO -0.52 0.05 -0.50 -0.08 -3.12 0.00 0.00 179.24 175.07 1rqm h GLU 59 N 0.00 0.00 -3.30 3.56 4.81 -1.60 -3.37 114.58 114.69 1rqm h GLU 59 Ca -0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 1rqm h GLU 59 Cb 0.11 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 29.11 1rqm h GLU 59 CO 0.01 0.50 -0.38 1.21 -0.73 0.00 0.00 179.01 179.61 1rqm s ASN 60 N -6.65 5.21 0.43 1.04 2.47 -0.31 -4.62 114.94 112.50 1rqm s ASN 60 Ca -0.01 -3.49 0.21 0.00 0.42 0.00 0.00 52.86 49.99 1rqm s ASN 60 Cb 0.12 -1.77 0.94 0.00 -1.45 0.00 0.00 41.25 39.09 1rqm s ASN 60 CO 0.73 -0.19 1.85 1.55 -3.72 0.00 0.00 177.10 177.32 1rqm h PRO 61 N 6.08 0.00 -6.29 0.43 0.13 -1.74 -3.39 132.00 127.22 1rqm h PRO 61 Ca 0.08 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.67 1rqm h PRO 61 Cb 0.83 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.97 1rqm h PRO 61 CO 0.76 0.27 1.24 -2.00 -0.23 0.00 0.00 178.00 178.04 1rqm s GLU 62 N -3.84 4.00 0.00 0.86 -6.30 -1.26 -1.77 118.70 110.38 1rqm s GLU 62 Ca -0.01 2.43 0.00 0.00 -2.50 0.00 0.00 54.97 54.89 1rqm s GLU 62 Cb 0.12 -4.16 0.00 0.00 0.00 0.00 0.00 34.13 30.09 1rqm s GLU 62 CO 0.65 -1.11 0.00 2.41 0.02 0.00 0.00 175.26 177.23 1rqm n THR 63 N 5.88 0.00 0.13 -1.70 -1.04 -1.26 -4.64 114.28 111.65 1rqm n THR 63 Ca 0.21 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.08 1rqm n THR 63 Cb 0.42 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.31 -0.87 12.58 2.02 -1.74 -1.87 112.91 123.34 1rqm h THR 64 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1rqm h THR 64 Cb 0.00 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.66 1rqm h THR 64 CO 0.00 0.00 0.55 -1.28 0.37 0.00 0.00 175.52 175.16 1rqm h SER 65 N -0.58 0.87 -0.77 4.18 0.87 -1.61 -0.65 113.55 115.87 1rqm h SER 65 Ca 0.02 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1rqm h SER 65 Cb 0.59 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1rqm h SER 65 CO -0.16 0.57 0.34 -0.61 -0.53 0.00 0.00 176.83 176.44 1rqm h GLN 66 N 1.02 1.12 -0.64 2.24 5.75 -1.75 -2.89 115.11 119.96 1rqm h GLN 66 Ca 0.37 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1rqm h GLN 66 Cb 0.12 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1rqm h GLN 66 CO -0.16 0.89 0.00 1.19 -2.65 0.00 0.00 178.83 178.10 1rqm n PHE 67 N -4.35 1.41 -1.75 3.99 3.72 -0.73 -4.92 117.46 114.83 1rqm n PHE 67 Ca 0.07 -0.53 -0.07 0.00 -0.05 0.00 0.00 57.45 56.87 1rqm n PHE 67 Cb 0.16 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.39 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqm n GLY 68 N 0.84 0.43 2.76 1.37 0.00 -1.08 -4.91 105.19 104.60 1rqm n GLY 68 Ca 0.22 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.50 3.65 -0.02 -0.61 2.08 -0.27 -3.95 119.36 116.74 1rqm n ILE 69 Ca -0.08 -3.33 0.00 0.00 0.56 0.00 0.00 62.75 59.90 1rqm n ILE 69 Cb 0.43 -2.55 0.00 0.00 -0.75 0.00 0.00 39.64 36.76 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 5.59 -0.67 -0.43 0.38 1.56 -1.26 -4.79 117.12 117.50 1rqm n MET 70 Ca 0.49 -0.57 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 1rqm n MET 70 Cb 0.38 -0.99 0.16 0.00 2.15 0.00 0.00 33.22 34.92 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1rqm n SER 71 N -0.04 3.16 -4.75 6.12 2.88 -1.25 -5.00 113.62 114.74 1rqm n SER 71 Ca 0.00 -2.47 -0.39 0.00 -1.33 0.00 0.00 58.87 54.67 1rqm n SER 71 Cb 0.02 -0.60 0.03 0.00 -0.75 0.00 0.00 64.21 62.92 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 0.18 3.32 -2.17 2.46 -0.00 -1.26 -4.15 119.36 117.74 1rqm n ILE 72 Ca 0.15 -0.50 -0.42 0.00 -0.00 0.00 0.00 62.75 61.98 1rqm n ILE 72 Cb 0.74 -1.72 -0.03 0.00 -0.00 0.00 0.00 39.64 38.63 1rqm n ILE 72 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1rqm s PRO 73 N -2.65 4.33 0.12 6.28 0.04 -1.26 -4.72 135.00 137.13 1rqm s PRO 73 Ca 0.67 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.87 1rqm s PRO 73 Cb -0.44 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1rqm s PRO 73 CO 0.53 -0.42 -0.20 0.99 0.04 0.00 0.00 177.00 177.95 1rqm s THR 74 N 0.96 1.73 -0.24 1.26 2.01 -0.45 -0.75 115.64 120.16 1rqm s THR 74 Ca 0.63 -1.66 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 1rqm s THR 74 Cb -0.37 -1.64 0.10 0.00 0.01 0.00 0.00 72.50 70.60 1rqm s THR 74 CO 0.31 -0.15 0.20 -0.22 -0.69 0.00 0.00 174.62 174.07 1rqm s LEU 75 N -2.15 0.08 -0.05 4.42 0.20 0.29 -0.63 118.68 120.84 1rqm s LEU 75 Ca 0.09 -0.66 -0.04 0.00 0.69 0.00 0.00 54.13 54.22 1rqm s LEU 75 Cb -0.09 0.14 -0.04 0.00 -0.43 0.00 0.00 46.19 45.78 1rqm s LEU 75 CO 0.05 -0.37 0.14 -0.63 -0.29 0.00 0.00 176.35 175.25 1rqm s ILE 76 N 2.25 5.28 -0.25 6.68 1.01 -0.93 -0.22 121.20 135.03 1rqm s ILE 76 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 1rqm s ILE 76 Cb -0.15 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.94 1rqm s ILE 76 CO -0.22 0.43 -0.05 -0.22 0.00 0.00 0.00 174.94 174.88 1rqm s LEU 77 N -1.57 3.19 0.32 2.97 1.98 0.23 -0.50 118.68 125.29 1rqm s LEU 77 Ca 0.22 -0.79 0.09 0.00 -2.89 0.00 0.00 54.13 50.76 1rqm s LEU 77 Cb -0.12 -1.69 -0.05 0.00 0.66 0.00 0.00 46.19 44.99 1rqm s LEU 77 CO 0.13 -0.12 0.05 -0.36 -1.89 0.00 0.00 176.35 174.16 1rqm s PHE 78 N 1.36 2.64 -0.08 5.38 0.40 0.39 -0.89 117.98 127.18 1rqm s PHE 78 Ca 0.01 -0.35 -0.31 0.00 -0.60 0.00 0.00 56.93 55.68 1rqm s PHE 78 Cb -0.16 -1.44 0.09 0.00 0.51 0.00 0.00 43.02 42.01 1rqm s PHE 78 CO -0.04 0.48 0.77 -1.59 0.70 0.00 0.00 175.22 175.53 1rqm s LYS 79 N -3.75 0.93 -0.94 0.44 0.00 -0.47 -0.53 119.74 115.43 1rqm s LYS 79 Ca 0.35 0.23 0.00 0.00 0.00 0.00 0.00 55.97 56.55 1rqm s LYS 79 Cb -0.03 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.24 1rqm s LYS 79 CO 0.21 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.68 1rqm n GLY 80 N 0.88 0.88 2.12 0.59 0.00 0.50 -0.28 105.19 109.88 1rqm n GLY 80 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.01 1.61 3.61 -0.02 0.00 0.41 -4.83 105.19 105.98 1rqm n GLY 81 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.29 4.00 -0.59 1.61 2.12 0.62 -4.90 118.70 121.26 1rqm s GLU 82 Ca 0.00 -0.21 -0.28 0.00 0.36 0.00 0.00 54.97 54.84 1rqm s GLU 82 Cb 0.00 -3.63 0.01 0.00 0.26 0.00 0.00 34.13 30.77 1rqm s GLU 82 CO 0.00 -0.15 1.45 -1.25 -0.54 0.00 0.00 175.26 174.77 1rqm s PRO 83 N 1.68 3.21 0.19 4.30 0.04 -1.26 -1.37 135.00 141.79 1rqm s PRO 83 Ca 0.09 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.48 1rqm s PRO 83 Cb -0.15 -4.16 0.12 0.00 0.04 0.00 0.00 34.50 30.35 1rqm s PRO 83 CO 0.09 -2.06 1.51 -0.39 0.04 0.00 0.00 177.00 176.20 1rqm h VAL 84 N 6.38 1.33 -3.27 -0.36 -1.51 -1.36 -3.47 116.25 113.99 1rqm h VAL 84 Ca -0.27 -1.81 -0.06 0.00 -1.23 0.00 0.00 66.70 63.33 1rqm h VAL 84 Cb 1.09 1.79 -0.14 0.00 -2.13 0.00 0.00 31.29 31.91 1rqm h VAL 84 CO 1.20 0.56 -0.08 -1.59 -1.23 0.00 0.00 177.57 176.43 1rqm s LYS 85 N -3.97 1.02 -0.13 5.19 -2.85 -1.17 -5.04 119.74 112.79 1rqm s LYS 85 Ca -0.07 -0.59 -0.05 0.00 -1.00 0.00 0.00 55.97 54.25 1rqm s LYS 85 Cb 0.11 0.45 0.06 0.00 -2.06 0.00 0.00 37.83 36.39 1rqm s LYS 85 CO 0.84 -0.38 0.28 -1.14 0.10 0.00 0.00 175.35 175.04 1rqm s GLN 86 N -3.37 0.20 0.13 1.78 0.74 -1.26 -0.60 119.66 117.28 1rqm s GLN 86 Ca 0.00 0.67 0.10 0.00 0.05 0.00 0.00 55.36 56.19 1rqm s GLN 86 Cb 0.01 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.03 1rqm s GLN 86 CO -0.09 -0.22 -0.24 -0.51 -0.55 0.00 0.00 175.29 173.68 1rqm s LEU 87 N 1.84 2.33 0.02 3.68 1.02 0.70 -4.99 118.68 123.27 1rqm s LEU 87 Ca -0.04 -0.74 -0.08 0.00 0.02 0.00 0.00 54.13 53.28 1rqm s LEU 87 Cb -0.11 -1.09 0.00 0.00 0.02 0.00 0.00 46.19 45.01 1rqm s LEU 87 CO -0.09 0.13 0.16 0.27 0.02 0.00 0.00 176.35 176.84 1rqm s ILE 88 N -1.17 0.10 0.10 -0.59 -4.36 -1.26 -0.55 121.20 113.47 1rqm s ILE 88 Ca 0.12 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 1rqm s ILE 88 Cb -0.10 -0.64 0.00 0.00 1.25 0.00 0.00 42.46 42.97 1rqm s ILE 88 CO 0.06 -0.44 0.00 0.61 0.24 0.00 0.00 174.94 175.41 1rqm n GLY 89 N 1.13 -2.25 3.17 6.27 0.00 0.07 -4.61 105.19 108.97 1rqm n GLY 89 Ca -0.21 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.77 3.14 -2.26 1.61 9.36 -1.26 -4.86 117.16 120.12 1rqm n TYR 90 Ca -0.01 -2.33 -0.41 0.00 3.32 0.00 0.00 57.90 58.47 1rqm n TYR 90 Cb 0.13 -2.33 -0.03 0.00 -0.63 0.00 0.00 39.34 36.48 1rqm n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1rqm s GLN 91 N 4.54 4.45 0.84 2.98 -1.52 -1.26 -5.05 119.66 124.65 1rqm s GLN 91 Ca 0.55 2.04 -0.11 0.00 -1.95 0.00 0.00 55.36 55.89 1rqm s GLN 91 Cb 0.09 -3.15 0.10 0.00 -0.22 0.00 0.00 33.01 29.84 1rqm s GLN 91 CO 0.05 -0.08 1.09 -1.25 -0.25 0.00 0.00 175.29 174.85 1rqm s PRO 92 N -1.18 1.68 0.24 2.91 0.04 -1.26 -4.74 135.00 132.70 1rqm s PRO 92 Ca 0.50 0.89 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 1rqm s PRO 92 Cb -0.36 -1.85 0.45 0.00 0.04 0.00 0.00 34.50 32.77 1rqm s PRO 92 CO 0.45 -1.97 1.72 0.87 0.04 0.00 0.00 177.00 178.11 1rqm h LYS 93 N -1.35 0.38 0.00 4.56 6.56 -1.96 0.31 116.57 125.07 1rqm h LYS 93 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 1rqm h LYS 93 Cb 1.27 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1rqm h LYS 93 CO 0.54 0.25 0.00 0.93 -2.06 0.00 0.00 179.45 179.12 1rqm h GLU 94 N 0.40 0.00 0.00 3.15 5.08 -1.98 0.22 114.58 121.45 1rqm h GLU 94 Ca 0.41 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.38 1rqm h GLU 94 Cb 0.63 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1rqm h GLU 94 CO -0.42 0.00 -2.37 0.94 -1.00 0.00 0.00 179.01 176.16 1rqm n GLN 95 N -2.34 0.56 0.48 2.33 -0.06 -0.23 -3.87 117.38 114.25 1rqm n GLN 95 Ca 0.01 0.18 -0.20 0.00 -2.00 0.00 0.00 57.00 54.99 1rqm n GLN 95 Cb 0.17 -1.43 -0.10 0.00 -4.06 0.00 0.00 30.24 24.82 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 -0.41 -1.11 -2.08 1.69 6.46 -0.86 0.14 115.31 119.15 1rqm h LEU 96 Ca -0.58 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.21 1rqm h LEU 96 Cb 1.70 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 41.92 1rqm h LEU 96 CO -0.22 -0.76 -0.08 -0.08 -0.62 0.00 0.00 178.44 176.67 1rqm h GLU 97 N -1.25 0.00 0.05 1.25 4.57 -0.80 0.25 114.58 118.65 1rqm h GLU 97 Ca -0.12 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1rqm h GLU 97 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1rqm h GLU 97 CO 0.19 0.08 -0.02 0.00 -1.18 0.00 0.00 179.01 178.08 1rqm h ALA 98 N 1.92 -0.06 -0.58 2.92 0.00 -1.61 -0.73 119.26 121.11 1rqm h ALA 98 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1rqm h ALA 98 Cb 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1rqm h ALA 98 CO 0.01 -0.19 0.28 0.37 0.00 0.00 0.00 179.25 179.73 1rqm h GLN 99 N -0.76 0.83 0.00 0.00 5.75 -0.29 -2.48 115.11 118.16 1rqm h GLN 99 Ca -0.01 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1rqm h GLN 99 Cb 0.64 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1rqm h GLN 99 CO 0.01 0.67 0.00 -0.11 -2.65 0.00 0.00 178.83 176.75 1rqm n LEU 100 N -4.55 0.00 -0.20 -2.39 7.94 0.85 -4.02 117.00 114.64 1rqm n LEU 100 Ca 0.03 0.35 0.22 0.00 -1.11 0.00 0.00 56.01 55.50 1rqm n LEU 100 Cb 0.12 -0.35 0.59 0.00 0.53 0.00 0.00 43.42 44.30 1rqm n LEU 100 CO 0.38 -0.02 1.23 0.00 -1.11 0.00 0.00 177.39 177.86 1rqm h ALA 101 N 3.22 2.41 0.00 1.96 0.00 -0.63 0.68 119.26 126.90 1rqm h ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 101 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rqm h ALA 101 CO 0.00 -0.67 0.00 -3.47 0.00 0.00 0.00 179.25 175.11 1rqm n ASP 102 N -4.43 0.07 0.00 0.00 2.03 -1.26 -0.07 116.55 112.89 1rqm n ASP 102 Ca 0.18 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1rqm n ASP 102 Cb 0.76 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1rqm n ASP 102 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1rqm n VAL 103 N -0.35 0.00 0.06 5.18 3.14 0.22 -4.87 118.33 121.71 1rqm n VAL 103 Ca 0.00 -0.10 0.06 0.00 -2.96 0.00 0.00 64.34 61.34 1rqm n VAL 103 Cb 0.02 0.91 -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 -0.23 0.77 0.00 6.55 7.99 -0.08 -5.00 117.00 127.00 1rqm n LEU 104 Ca 0.00 0.32 0.02 0.00 -0.01 0.00 0.00 56.01 56.33 1rqm n LEU 104 Cb 0.00 0.01 0.10 0.00 -0.11 0.00 0.00 43.42 43.42 1rqm n LEU 104 CO 0.00 -0.02 0.34 1.67 -1.51 0.00 0.00 177.39 177.86