#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 -2.46 0.00 -1.04 0.68 -4.80 114.28 106.65 1rqm n THR 2 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1rqm n THR 2 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1rqm n THR 2 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1rqm s MET 3 N -0.58 4.58 -1.17 -2.82 -1.94 -0.79 -4.80 119.30 111.78 1rqm s MET 3 Ca 0.00 1.79 -0.22 0.00 -1.71 0.00 0.00 55.69 55.55 1rqm s MET 3 Cb 0.00 -3.24 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 1rqm s MET 3 CO 0.00 0.08 1.88 0.99 -0.01 0.00 0.00 175.02 177.96 1rqm s THR 4 N -0.50 3.66 0.77 2.05 2.01 -1.26 -1.40 115.64 120.97 1rqm s THR 4 Ca 0.49 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 1rqm s THR 4 Cb -0.31 -4.66 0.06 0.00 0.01 0.00 0.00 72.50 67.60 1rqm s THR 4 CO 0.37 -1.22 1.11 -0.76 -0.69 0.00 0.00 174.62 173.43 1rqm s LEU 5 N 9.39 3.07 0.00 4.42 1.02 -1.17 -5.00 118.68 130.41 1rqm s LEU 5 Ca 0.65 1.92 0.00 0.00 0.02 0.00 0.00 54.13 56.72 1rqm s LEU 5 Cb -0.00 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.67 1rqm s LEU 5 CO 0.10 -2.13 0.00 0.35 0.02 0.00 0.00 176.35 174.69 1rqm n THR 6 N -3.43 0.00 0.00 5.49 -2.24 -1.26 -4.59 114.28 108.25 1rqm n THR 6 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1rqm n THR 6 Cb 0.53 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.11 0.00 -0.10 3.42 5.75 -1.26 -4.57 116.55 119.68 1rqm n ASP 7 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.96 1rqm n ASP 7 Cb 0.00 0.05 0.60 0.00 -1.03 0.00 0.00 41.12 40.73 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 0.05 2.33 0.00 2.12 0.00 -1.99 -0.28 119.26 121.49 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 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rqm h ALA 8 CO 0.00 -0.52 -0.13 -0.97 0.00 0.00 0.00 179.25 177.63 1rqm h ASN 9 N 0.22 0.00 0.28 0.00 -0.73 -1.97 -1.88 115.58 111.50 1rqm h ASN 9 Ca 0.33 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.45 1rqm h ASN 9 Cb 0.99 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.58 1rqm h ASN 9 CO -0.07 0.02 -0.13 0.15 -0.37 0.00 0.00 177.43 177.03 1rqm h PHE 10 N 0.00 -0.34 0.00 0.67 3.57 -1.29 0.12 116.94 119.67 1rqm h PHE 10 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1rqm h PHE 10 Cb 0.78 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1rqm h PHE 10 CO 0.00 -0.01 -0.09 0.37 -2.23 0.00 0.00 178.31 176.35 1rqm h GLN 11 N -0.72 0.00 -0.01 1.11 4.15 -1.52 -0.88 115.11 117.24 1rqm h GLN 11 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1rqm h GLN 11 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1rqm h GLN 11 CO 0.06 0.09 -0.07 0.37 -1.93 0.00 0.00 178.83 177.35 1rqm h GLN 12 N 0.00 0.07 -0.63 1.69 -0.00 -1.27 -3.38 115.11 111.60 1rqm h GLN 12 Ca -0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.50 1rqm h GLN 12 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.83 1rqm h GLN 12 CO 0.01 0.73 0.05 0.00 0.00 0.00 0.00 178.83 179.62 1rqm h ALA 13 N 0.34 0.90 -0.04 3.38 0.00 0.09 -2.92 119.26 121.01 1rqm h ALA 13 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1rqm h ALA 13 Cb 0.75 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rqm h ALA 13 CO 0.01 0.66 0.10 0.97 0.00 0.00 0.00 179.25 180.99 1rqm h ILE 14 N 0.98 0.20 -0.81 0.00 2.10 -1.37 -3.36 117.51 115.25 1rqm h ILE 14 Ca 0.18 0.00 0.10 0.00 1.08 0.00 0.00 64.86 66.22 1rqm h ILE 14 Cb 0.50 0.91 -0.06 0.00 -1.09 0.00 0.00 36.82 37.08 1rqm h ILE 14 CO 0.02 0.00 0.53 0.06 -1.08 0.00 0.00 178.15 177.68 1rqm h GLN 15 N 0.00 0.72 0.00 2.19 3.07 -1.68 0.25 115.11 119.66 1rqm h GLN 15 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1rqm h GLN 15 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1rqm h GLN 15 CO -0.00 0.48 0.00 0.41 0.09 0.00 0.00 178.83 179.81 1rqm n GLY 16 N -1.44 3.91 0.56 0.06 0.00 -1.26 -3.90 105.19 103.12 1rqm n GLY 16 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.61 0.00 1.61 -0.08 -1.26 -4.96 116.55 111.25 1rqm n ASP 17 Ca 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1rqm n ASP 17 Cb 0.00 0.82 0.00 0.00 2.34 0.00 0.00 41.12 44.28 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 -1.13 0.45 3.53 0.27 0.00 -1.26 -5.05 105.19 101.99 1rqm n GLY 18 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 1.04 -3.15 1.61 -0.04 -1.26 -4.26 135.00 128.95 1rqm n PRO 19 Ca 0.00 0.14 -0.39 0.00 -0.04 0.00 0.00 63.50 63.21 1rqm n PRO 19 Cb 0.00 -2.93 -0.05 0.00 -0.04 0.00 0.00 33.50 30.48 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 10.15 5.07 -0.08 0.52 1.01 0.36 -0.98 120.40 136.45 1rqm s VAL 20 Ca 1.07 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 64.26 1rqm s VAL 20 Cb -0.50 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 31.96 1rqm s VAL 20 CO 0.36 0.22 -0.05 -0.22 0.00 0.00 0.00 175.10 175.40 1rqm s LEU 21 N 1.19 1.08 -0.19 3.92 0.20 -0.41 -0.07 118.68 124.40 1rqm s LEU 21 Ca 0.31 -0.20 -0.00 0.00 0.69 0.00 0.00 54.13 54.93 1rqm s LEU 21 Cb -0.16 -0.64 0.01 0.00 -0.43 0.00 0.00 46.19 44.97 1rqm s LEU 21 CO 0.13 -0.11 -0.16 0.54 -0.29 0.00 0.00 176.35 176.46 1rqm s VAL 22 N 1.52 2.39 -0.74 1.68 0.11 -0.17 -0.58 120.40 124.61 1rqm s VAL 22 Ca -0.00 -0.85 -0.16 0.00 -2.93 0.00 0.00 61.98 58.04 1rqm s VAL 22 Cb -0.13 -2.04 0.16 0.00 -1.53 0.00 0.00 36.38 32.84 1rqm s VAL 22 CO -0.04 0.50 0.76 -0.62 -3.33 0.00 0.00 175.10 172.37 1rqm s ASP 23 N 1.33 6.51 -0.46 3.54 -1.08 0.62 -1.78 116.67 125.35 1rqm s ASP 23 Ca 0.05 -2.14 -0.27 0.00 -0.52 0.00 0.00 52.55 49.67 1rqm s ASP 23 Cb -0.13 -2.26 0.03 0.00 -1.46 0.00 0.00 42.92 39.09 1rqm s ASP 23 CO -0.10 -0.83 1.03 -0.36 0.52 0.00 0.00 175.17 175.43 1rqm s PHE 24 N 1.41 2.89 0.44 -5.34 0.08 0.48 -1.23 117.98 116.72 1rqm s PHE 24 Ca 0.16 0.60 0.03 0.00 0.12 0.00 0.00 56.93 57.84 1rqm s PHE 24 Cb -0.16 -4.15 -0.03 0.00 -0.57 0.00 0.00 43.02 38.11 1rqm s PHE 24 CO -0.03 -1.15 0.07 1.67 -0.10 0.00 0.00 175.22 175.68 1rqm s TRP 25 N 4.06 1.87 0.15 0.36 1.48 -0.81 -0.88 118.94 125.16 1rqm s TRP 25 Ca 0.43 -1.11 -0.08 0.00 -1.06 0.00 0.00 56.10 54.28 1rqm s TRP 25 Cb -0.09 -1.36 -0.01 0.00 -1.16 0.00 0.00 33.47 30.85 1rqm s TRP 25 CO 0.28 -0.05 0.23 0.00 -4.06 0.00 0.00 176.95 173.35 1rqm s ALA 26 N -3.07 0.10 -1.13 2.67 0.00 -1.26 -0.23 121.76 118.84 1rqm s ALA 26 Ca 0.19 -0.93 0.18 0.00 0.00 0.00 0.00 51.96 51.40 1rqm s ALA 26 Cb 0.03 0.79 0.83 0.00 0.00 0.00 0.00 23.12 24.78 1rqm s ALA 26 CO 0.11 -0.60 1.59 0.00 0.00 0.00 0.00 175.76 176.85 1rqm n ALA 27 N -0.17 1.89 0.00 0.00 0.00 -1.26 -3.77 120.51 117.20 1rqm n ALA 27 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rqm n ALA 27 Cb 0.63 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.44 0.00 -0.19 0.00 2.14 -1.26 -4.97 117.44 111.72 1rqm n TRP 28 Ca 0.06 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.63 1rqm n TRP 28 Cb 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.70 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 1.66 0.58 0.31 0.00 0.00 -1.26 -0.96 105.19 105.53 1rqm n GLY 30 Ca 0.00 0.76 0.19 0.00 0.00 0.00 0.00 46.02 46.97 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 -1.95 0.11 132.00 131.90 1rqm h PRO 31 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rqm h PRO 31 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rqm h PRO 31 CO 0.00 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1rqm n ARG 33 N -3.47 0.22 -0.11 0.00 3.00 0.37 -0.10 116.66 116.57 1rqm n ARG 33 Ca -0.03 0.38 -0.12 0.00 -0.00 0.00 0.00 57.85 58.08 1rqm n ARG 33 Cb 0.08 -1.87 -0.15 0.00 0.00 0.00 0.00 32.46 30.51 1rqm n ARG 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1rqm n MET 34 N -2.29 0.73 -0.04 -0.14 2.81 -0.07 -4.36 117.12 113.77 1rqm n MET 34 Ca 0.03 0.03 -0.16 0.00 -1.81 0.00 0.00 57.70 55.79 1rqm n MET 34 Cb 0.29 -1.51 -0.08 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 0.00 0.56 -0.69 0.03 1.85 -1.00 -2.87 114.93 112.82 1rqm h MET 35 Ca -0.55 -0.43 0.14 0.00 -0.61 0.00 0.00 59.70 58.25 1rqm h MET 35 Cb 2.14 0.08 -0.10 0.00 0.43 0.00 0.00 31.60 34.15 1rqm h MET 35 CO 0.00 1.06 0.18 0.00 -0.40 0.00 0.00 176.91 177.74 1rqm h ALA 36 N 0.51 0.87 -0.24 0.39 0.00 -0.72 0.44 119.26 120.51 1rqm h ALA 36 Ca -0.03 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1rqm h ALA 36 Cb 1.13 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1rqm h ALA 36 CO 0.10 -0.30 -0.06 -1.00 0.00 0.00 0.00 179.25 177.99 1rqm h PRO 37 N 0.29 0.47 -0.04 0.00 0.13 -1.76 -3.23 132.00 127.85 1rqm h PRO 37 Ca 0.37 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1rqm h PRO 37 Cb 0.60 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1rqm h PRO 37 CO -0.45 0.70 0.03 -0.24 -0.23 0.00 0.00 178.00 177.81 1rqm h VAL 38 N 0.20 0.99 0.00 1.56 3.04 -0.64 0.17 116.25 121.58 1rqm h VAL 38 Ca 0.06 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1rqm h VAL 38 Cb 0.53 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1rqm h VAL 38 CO 0.02 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.77 1rqm n LEU 39 N -4.53 0.42 -0.06 3.16 4.77 0.13 -1.96 117.00 118.93 1rqm n LEU 39 Ca -0.02 0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 56.36 1rqm n LEU 39 Cb 0.11 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.51 1rqm n LEU 39 CO 0.34 -0.49 -0.62 -0.08 -1.33 0.00 0.00 177.39 175.21 1rqm h GLU 40 N 0.00 0.10 -0.95 3.23 4.81 -0.67 -0.59 114.58 120.51 1rqm h GLU 40 Ca 0.00 -0.17 0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1rqm h GLU 40 Cb 0.28 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 1rqm h GLU 40 CO 0.00 1.08 0.58 0.93 -0.73 0.00 0.00 179.01 180.87 1rqm h GLU 41 N -0.61 0.91 0.63 1.92 3.07 -1.54 0.14 114.58 119.10 1rqm h GLU 41 Ca -0.38 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 1rqm h GLU 41 Cb 1.57 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 29.26 1rqm h GLU 41 CO -0.10 0.60 -0.51 0.35 -1.40 0.00 0.00 179.01 177.96 1rqm h PHE 42 N 0.94 -1.38 -0.34 4.33 3.57 -1.48 -2.43 116.94 120.15 1rqm h PHE 42 Ca 0.46 0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.03 1rqm h PHE 42 Cb 0.43 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1rqm h PHE 42 CO -0.02 -0.70 -0.06 0.00 -2.23 0.00 0.00 178.31 175.30 1rqm h ALA 43 N -1.01 0.25 -0.49 2.41 0.00 -0.42 -2.64 119.26 117.36 1rqm h ALA 43 Ca -0.08 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1rqm h ALA 43 Cb 0.92 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1rqm h ALA 43 CO 0.00 -0.44 0.01 1.49 0.00 0.00 0.00 179.25 180.31 1rqm h GLU 44 N 0.03 0.12 0.00 0.00 4.81 -0.75 -1.32 114.58 117.47 1rqm h GLU 44 Ca 0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1rqm h GLU 44 Cb 0.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1rqm h GLU 44 CO -0.32 0.08 0.00 0.00 -0.73 0.00 0.00 179.01 178.03 1rqm n ALA 45 N -2.64 1.08 -2.95 2.92 0.00 -0.92 -2.38 120.51 115.62 1rqm n ALA 45 Ca 0.05 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1rqm n ALA 45 Cb 0.26 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.91 -1.54 -0.23 0.00 1.44 -0.59 -5.03 115.22 107.36 1rqm n HIS 46 Ca -0.00 -2.86 0.03 0.00 -2.01 0.00 0.00 57.72 52.87 1rqm n HIS 46 Cb 0.04 0.67 0.15 0.00 0.12 0.00 0.00 29.99 30.96 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 3.18 0.89 0.00 1.59 0.00 -0.93 -3.27 119.26 120.73 1rqm h ALA 47 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rqm h ALA 47 Cb 1.02 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rqm h ALA 47 CO 0.32 -0.23 0.00 -3.47 0.00 0.00 0.00 179.25 175.86 1rqm n ASP 48 N -5.04 0.35 0.08 0.00 2.03 -1.26 0.03 116.55 112.74 1rqm n ASP 48 Ca 0.11 -1.18 0.03 0.00 0.52 0.00 0.00 54.79 54.28 1rqm n ASP 48 Cb 0.36 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 41.18 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 0.36 -6.70 -0.67 3.64 -1.96 -3.42 116.57 107.82 1rqm h LYS 49 Ca 0.00 -0.05 -0.70 0.00 -1.27 0.00 0.00 60.65 58.64 1rqm h LYS 49 Cb 0.90 -0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 32.38 1rqm h LYS 49 CO 0.00 0.34 -0.88 0.14 -2.27 0.00 0.00 179.45 176.78 1rqm s VAL 50 N -5.11 2.17 -1.37 2.00 -7.23 -1.25 -4.67 120.40 104.95 1rqm s VAL 50 Ca -0.07 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 58.65 1rqm s VAL 50 Cb 0.16 -1.83 0.08 0.00 0.56 0.00 0.00 36.38 35.36 1rqm s VAL 50 CO 0.73 0.42 1.98 1.07 -0.31 0.00 0.00 175.10 178.98 1rqm n THR 51 N 1.92 3.79 -1.92 5.32 5.66 -0.15 -0.87 114.28 128.03 1rqm n THR 51 Ca -0.17 -3.66 -0.37 0.00 -3.05 0.00 0.00 64.05 56.80 1rqm n THR 51 Cb 0.52 -2.49 0.04 0.00 -1.55 0.00 0.00 70.33 66.85 1rqm n THR 51 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1rqm s VAL 52 N 2.92 2.40 0.09 1.08 0.11 -1.26 -1.28 120.40 124.46 1rqm s VAL 52 Ca 0.47 0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 59.66 1rqm s VAL 52 Cb 0.09 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.84 1rqm s VAL 52 CO -0.02 -0.03 0.32 0.00 -3.33 0.00 0.00 175.10 172.03 1rqm s ALA 53 N -1.45 -0.66 -0.07 1.54 0.00 0.25 -0.23 121.76 121.14 1rqm s ALA 53 Ca 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1rqm s ALA 53 Cb -0.35 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1rqm s ALA 53 CO 0.39 -0.55 -0.05 0.21 0.00 0.00 0.00 175.76 175.77 1rqm s LYS 54 N -3.53 1.01 0.03 0.00 2.20 -0.49 -0.27 119.74 118.69 1rqm s LYS 54 Ca 0.02 -0.11 -0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1rqm s LYS 54 Cb 0.02 -1.10 -0.02 0.00 -1.51 0.00 0.00 37.83 35.22 1rqm s LYS 54 CO -0.10 -0.17 -0.03 -0.48 -0.36 0.00 0.00 175.35 174.21 1rqm s LEU 55 N 1.36 2.29 -0.46 5.43 0.05 -0.36 -3.06 118.68 123.94 1rqm s LEU 55 Ca -0.03 -0.61 -0.25 0.00 0.05 0.00 0.00 54.13 53.28 1rqm s LEU 55 Cb -0.13 0.11 0.03 0.00 -2.05 0.00 0.00 46.19 44.14 1rqm s LEU 55 CO -0.03 -0.36 0.92 0.21 -0.55 0.00 0.00 176.35 176.54 1rqm s ASN 56 N -1.78 6.50 0.56 1.48 2.47 -1.26 -1.92 114.94 120.99 1rqm s ASN 56 Ca -0.11 0.12 0.26 0.00 0.42 0.00 0.00 52.86 53.56 1rqm s ASN 56 Cb -0.06 -2.45 1.63 0.00 -1.45 0.00 0.00 41.25 38.93 1rqm s ASN 56 CO -0.03 -1.04 2.20 1.62 -3.72 0.00 0.00 177.10 176.13 1rqm h VAL 57 N 6.07 0.64 0.00 -5.21 3.04 -0.93 -0.91 116.25 118.95 1rqm h VAL 57 Ca -0.24 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.30 1rqm h VAL 57 Cb 1.08 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1rqm h VAL 57 CO 1.02 0.03 -0.15 0.44 -1.01 0.00 0.00 177.57 177.91 1rqm h ASP 58 N 0.00 0.00 0.18 3.17 3.32 -1.92 -3.17 116.42 118.01 1rqm h ASP 58 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1rqm h ASP 58 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1rqm h ASP 58 CO 0.00 0.15 -1.93 -0.08 -1.72 0.00 0.00 179.24 175.66 1rqm h GLU 59 N 0.00 0.25 -4.47 3.56 4.81 -1.56 -3.46 114.58 113.71 1rqm h GLU 59 Ca -0.00 -0.43 -0.72 0.00 -0.13 0.00 0.00 59.36 58.08 1rqm h GLU 59 Cb 0.65 0.16 -0.26 0.00 0.63 0.00 0.00 28.75 29.93 1rqm h GLU 59 CO 0.02 1.14 -0.46 1.21 -0.73 0.00 0.00 179.01 180.19 1rqm s ASN 60 N -6.96 5.74 0.34 1.04 2.47 -1.12 -4.93 114.94 111.52 1rqm s ASN 60 Ca -0.19 -1.33 0.19 0.00 0.42 0.00 0.00 52.86 51.95 1rqm s ASN 60 Cb 0.07 -2.03 0.18 0.00 -1.45 0.00 0.00 41.25 38.02 1rqm s ASN 60 CO 0.79 -0.51 1.48 1.55 -3.72 0.00 0.00 177.10 176.69 1rqm h PRO 61 N 8.47 0.00 -6.26 0.43 0.13 -1.90 -3.41 132.00 129.45 1rqm h PRO 61 Ca -0.24 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.33 1rqm h PRO 61 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1rqm h PRO 61 CO 0.75 0.23 1.13 -2.00 -0.23 0.00 0.00 178.00 177.88 1rqm s GLU 62 N -3.10 4.05 0.00 0.86 2.56 -1.26 -1.34 118.70 120.47 1rqm s GLU 62 Ca 0.05 2.13 0.00 0.00 0.00 0.00 0.00 54.97 57.15 1rqm s GLU 62 Cb 0.06 -4.03 0.00 0.00 2.00 0.00 0.00 34.13 32.16 1rqm s GLU 62 CO 0.71 -1.00 0.00 2.41 -0.56 0.00 0.00 175.26 176.82 1rqm n THR 63 N 5.77 0.00 0.10 -1.70 -1.04 -1.26 -4.66 114.28 111.50 1rqm n THR 63 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 1rqm n THR 63 Cb 0.43 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.39 12.58 2.02 -1.77 -2.82 112.91 122.90 1rqm h THR 64 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1rqm h THR 64 Cb 0.00 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1rqm h THR 64 CO 0.00 0.00 0.19 -1.28 0.37 0.00 0.00 175.52 174.80 1rqm h SER 65 N -0.49 0.28 -0.77 4.18 0.87 -1.48 0.40 113.55 116.55 1rqm h SER 65 Ca 0.04 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.75 1rqm h SER 65 Cb 0.53 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1rqm h SER 65 CO -0.19 0.20 0.51 -0.61 -0.53 0.00 0.00 176.83 176.21 1rqm h GLN 66 N 0.39 0.54 -0.30 2.24 5.75 -1.77 -1.50 115.11 120.46 1rqm h GLN 66 Ca 0.17 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1rqm h GLN 66 Cb 0.08 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1rqm h GLN 66 CO -0.12 0.36 0.00 1.19 -2.65 0.00 0.00 178.83 177.61 1rqm n PHE 67 N -4.50 0.68 -2.44 3.99 3.72 -1.08 -4.99 117.46 112.84 1rqm n PHE 67 Ca 0.14 -0.68 -0.17 0.00 -0.05 0.00 0.00 57.45 56.69 1rqm n PHE 67 Cb 0.44 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.00 -0.30 3.58 1.37 0.00 -0.57 -4.87 105.19 104.41 1rqm n GLY 68 Ca 0.16 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.87 3.89 0.00 -0.61 -1.09 0.06 -4.26 121.20 116.32 1rqm s ILE 69 Ca 0.06 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.08 1rqm s ILE 69 Cb -0.02 -4.93 0.00 0.00 -1.58 0.00 0.00 42.46 35.92 1rqm s ILE 69 CO 0.07 -1.66 0.43 0.23 -1.23 0.00 0.00 174.94 172.78 1rqm n MET 70 N 8.46 0.26 -0.35 2.79 2.81 -1.26 -4.87 117.12 124.96 1rqm n MET 70 Ca 0.45 -0.53 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1rqm n MET 70 Cb 0.47 -0.74 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 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 -0.09 4.48 -4.82 7.83 2.88 -1.26 -4.94 113.62 117.70 1rqm n SER 71 Ca 0.00 -2.22 -0.33 0.00 -1.33 0.00 0.00 58.87 54.99 1rqm n SER 71 Cb 0.22 -0.91 -0.05 0.00 -0.75 0.00 0.00 64.21 62.72 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1rqm s ILE 72 N 0.10 4.28 0.05 2.46 -0.00 -1.26 -3.82 121.20 123.01 1rqm s ILE 72 Ca 0.00 1.32 -0.30 0.00 -0.00 0.00 0.00 60.65 61.67 1rqm s ILE 72 Cb 0.00 -3.59 -0.08 0.00 -0.00 0.00 0.00 42.46 38.79 1rqm s ILE 72 CO 0.00 -0.40 1.68 -2.16 -0.00 0.00 0.00 174.94 174.06 1rqm s PRO 73 N -3.44 4.19 0.19 0.37 0.04 -1.26 -4.75 135.00 130.34 1rqm s PRO 73 Ca 0.62 2.33 0.11 0.00 0.04 0.00 0.00 61.00 64.11 1rqm s PRO 73 Cb -0.11 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1rqm s PRO 73 CO 0.20 -0.77 -0.21 0.99 0.04 0.00 0.00 177.00 177.25 1rqm s THR 74 N 2.97 2.55 -0.12 1.26 2.01 -0.06 -0.50 115.64 123.76 1rqm s THR 74 Ca 0.75 -1.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.76 1rqm s THR 74 Cb -0.39 -2.23 0.06 0.00 0.01 0.00 0.00 72.50 69.94 1rqm s THR 74 CO 0.33 -0.11 0.24 -0.22 -0.69 0.00 0.00 174.62 174.17 1rqm s LEU 75 N -2.70 -0.08 -0.02 4.42 0.20 -0.35 -0.38 118.68 119.76 1rqm s LEU 75 Ca 0.22 0.54 0.06 0.00 0.69 0.00 0.00 54.13 55.64 1rqm s LEU 75 Cb -0.08 0.65 -0.01 0.00 -0.43 0.00 0.00 46.19 46.32 1rqm s LEU 75 CO 0.11 -0.22 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.11 1rqm s ILE 76 N 2.09 1.70 -0.23 6.68 1.01 -0.74 -0.41 121.20 131.31 1rqm s ILE 76 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 1rqm s ILE 76 Cb -0.12 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1rqm s ILE 76 CO -0.08 0.48 -0.00 -0.22 0.00 0.00 0.00 174.94 175.12 1rqm s LEU 77 N -0.42 3.12 0.38 2.97 0.20 -0.06 -1.00 118.68 123.87 1rqm s LEU 77 Ca 0.06 -0.37 0.06 0.00 0.69 0.00 0.00 54.13 54.58 1rqm s LEU 77 Cb -0.09 -1.80 -0.07 0.00 -0.43 0.00 0.00 46.19 43.80 1rqm s LEU 77 CO -0.00 -0.04 0.01 -0.36 -0.29 0.00 0.00 176.35 175.67 1rqm s PHE 78 N 1.52 2.34 -0.31 5.38 0.40 0.90 -0.40 117.98 127.81 1rqm s PHE 78 Ca 0.06 -0.72 0.16 0.00 -0.60 0.00 0.00 56.93 55.83 1rqm s PHE 78 Cb -0.15 -1.58 0.44 0.00 0.51 0.00 0.00 43.02 42.24 1rqm s PHE 78 CO -0.01 0.35 1.40 0.36 0.70 0.00 0.00 175.22 178.02 1rqm n LYS 79 N -0.86 1.49 0.00 0.44 -0.00 -1.14 -0.49 118.16 117.59 1rqm n LYS 79 Ca -0.04 -1.98 0.00 0.00 -0.00 0.00 0.00 58.31 56.29 1rqm n LYS 79 Cb 0.66 -0.25 0.00 0.00 -0.00 0.00 0.00 35.03 35.44 1rqm n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rqm n GLY 80 N -1.23 0.60 4.07 2.58 0.00 -1.15 -4.75 105.19 105.30 1rqm n GLY 80 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 2.65 3.14 -0.02 0.00 0.88 -4.88 105.19 106.95 1rqm n GLY 81 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1rqm n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rqm s GLU 82 N 0.00 0.76 0.65 1.61 -1.05 -1.26 -5.01 118.70 114.39 1rqm s GLU 82 Ca 0.00 -0.87 -0.11 0.00 -0.15 0.00 0.00 54.97 53.84 1rqm s GLU 82 Cb 0.00 -0.71 -0.02 0.00 -0.44 0.00 0.00 34.13 32.96 1rqm s GLU 82 CO 0.00 0.16 1.04 -1.25 0.95 0.00 0.00 175.26 176.16 1rqm s PRO 83 N -1.60 3.36 -0.08 -4.83 0.04 -1.26 -2.90 135.00 127.72 1rqm s PRO 83 Ca -0.03 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1rqm s PRO 83 Cb -0.10 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1rqm s PRO 83 CO 0.02 -0.77 -0.06 1.33 0.04 0.00 0.00 177.00 177.56 1rqm n VAL 84 N -2.88 0.46 -3.84 -0.36 0.24 0.47 -4.92 118.33 107.50 1rqm n VAL 84 Ca 0.07 -0.19 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 1rqm n VAL 84 Cb 0.54 -0.79 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 1rqm n VAL 84 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1rqm s LYS 85 N -2.16 1.78 0.03 7.34 -2.85 -1.17 -5.05 119.74 117.66 1rqm s LYS 85 Ca -0.10 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.85 1rqm s LYS 85 Cb 0.03 0.58 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1rqm s LYS 85 CO 0.20 -0.82 -0.04 -1.14 0.10 0.00 0.00 175.35 173.65 1rqm s GLN 86 N -3.48 0.37 0.14 1.78 0.74 -1.26 -0.88 119.66 117.07 1rqm s GLN 86 Ca 0.12 -0.67 0.11 0.00 0.05 0.00 0.00 55.36 54.97 1rqm s GLN 86 Cb -0.05 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1rqm s GLN 86 CO 0.07 -0.03 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.01 1rqm s LEU 87 N -1.54 2.36 -0.05 3.68 2.01 0.46 -5.00 118.68 120.59 1rqm s LEU 87 Ca -0.14 -0.75 -0.04 0.00 0.01 0.00 0.00 54.13 53.21 1rqm s LEU 87 Cb -0.09 -1.23 0.02 0.00 0.01 0.00 0.00 46.19 44.89 1rqm s LEU 87 CO -0.01 0.17 0.13 0.27 1.01 0.00 0.00 176.35 177.92 1rqm s ILE 88 N -1.15 -0.01 0.15 -0.59 -4.36 -1.26 -1.21 121.20 112.76 1rqm s ILE 88 Ca 0.15 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 1rqm s ILE 88 Cb -0.10 -0.19 0.00 0.00 1.25 0.00 0.00 42.46 43.42 1rqm s ILE 88 CO 0.07 0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.88 1rqm n GLY 89 N 3.33 -2.33 3.56 6.27 0.00 0.35 -4.81 105.19 111.56 1rqm n GLY 89 Ca -0.16 -1.37 -0.46 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.92 1.88 -3.89 1.61 9.36 -1.26 -4.85 117.16 117.10 1rqm n TYR 90 Ca -0.02 -0.01 -0.35 0.00 3.32 0.00 0.00 57.90 60.84 1rqm n TYR 90 Cb 0.19 -2.67 -0.08 0.00 -0.63 0.00 0.00 39.34 36.15 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 6.18 3.82 0.77 2.98 -1.52 -1.26 -5.12 119.66 125.52 1rqm s GLN 91 Ca 1.03 -0.23 -0.12 0.00 -1.95 0.00 0.00 55.36 54.09 1rqm s GLN 91 Cb -0.51 -3.26 0.06 0.00 -0.22 0.00 0.00 33.01 29.08 1rqm s GLN 91 CO 0.40 0.47 1.12 -1.25 -0.25 0.00 0.00 175.29 175.79 1rqm s PRO 92 N -0.16 2.11 0.25 2.91 0.04 -1.26 -4.78 135.00 134.11 1rqm s PRO 92 Ca 0.09 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 1rqm s PRO 92 Cb -0.12 -1.87 0.32 0.00 0.04 0.00 0.00 34.50 32.88 1rqm s PRO 92 CO 0.01 -1.78 1.56 -0.22 0.04 0.00 0.00 177.00 176.60 1rqm h LYS 93 N -0.92 -0.01 -0.23 4.56 3.11 -1.99 0.15 116.57 121.25 1rqm h LYS 93 Ca -0.45 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.42 1rqm h LYS 93 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 1rqm h LYS 93 CO 0.50 -0.00 0.16 0.93 -2.81 0.00 0.00 179.45 178.22 1rqm h GLU 94 N -0.01 0.21 0.05 1.90 5.08 -1.97 0.17 114.58 120.02 1rqm h GLU 94 Ca 0.39 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1rqm h GLU 94 Cb 0.64 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1rqm h GLU 94 CO -0.99 0.14 -0.97 0.37 -1.00 0.00 0.00 179.01 176.56 1rqm h GLN 95 N 0.22 0.11 0.54 2.33 5.75 -1.36 -2.96 115.11 119.74 1rqm h GLN 95 Ca 0.10 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1rqm h GLN 95 Cb 0.12 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1rqm h GLN 95 CO -0.02 1.09 -0.41 1.25 -2.65 0.00 0.00 178.83 178.09 1rqm h LEU 96 N -0.70 -1.08 -1.74 -2.39 6.46 -1.18 0.18 115.31 114.87 1rqm h LEU 96 Ca -0.23 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1rqm h LEU 96 Cb 1.42 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 41.68 1rqm h LEU 96 CO -0.03 -0.59 -0.15 -0.08 -0.62 0.00 0.00 178.44 176.97 1rqm h GLU 97 N -0.92 0.00 -0.02 1.25 4.57 -0.84 0.22 114.58 118.84 1rqm h GLU 97 Ca -0.07 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1rqm h GLU 97 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1rqm h GLU 97 CO 0.02 0.15 -0.06 0.00 -1.18 0.00 0.00 179.01 177.94 1rqm h ALA 98 N 1.85 0.03 -0.73 2.92 0.00 -1.34 -1.71 119.26 120.29 1rqm h ALA 98 Ca -0.00 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1rqm h ALA 98 Cb 0.28 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1rqm h ALA 98 CO 0.02 -0.11 0.43 0.37 0.00 0.00 0.00 179.25 179.96 1rqm h GLN 99 N -0.53 0.76 -0.01 0.00 5.75 -0.15 -2.31 115.11 118.62 1rqm h GLN 99 Ca -0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1rqm h GLN 99 Cb 0.69 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1rqm h GLN 99 CO 0.01 0.50 -0.01 1.28 -2.65 0.00 0.00 178.83 177.96 1rqm n LEU 100 N -4.73 0.98 0.15 -2.39 4.32 0.02 -4.48 117.00 110.87 1rqm n LEU 100 Ca 0.10 -0.32 0.15 0.00 -0.02 0.00 0.00 56.01 55.92 1rqm n LEU 100 Cb 0.18 -0.01 0.71 0.00 -1.62 0.00 0.00 43.42 42.68 1rqm n LEU 100 CO 0.30 0.16 1.13 0.00 -1.22 0.00 0.00 177.39 177.77 1rqm h ALA 101 N 4.20 2.14 0.00 -1.18 0.00 -0.71 -1.58 119.26 122.13 1rqm h ALA 101 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rqm h ALA 101 Cb 0.34 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rqm h ALA 101 CO 0.00 -0.33 -0.03 0.38 0.00 0.00 0.00 179.25 179.27 1rqm h ASP 102 N 0.00 0.00 0.00 0.00 2.03 -1.81 0.17 116.42 116.81 1rqm h ASP 102 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1rqm h ASP 102 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1rqm h ASP 102 CO -0.00 0.03 -1.23 0.55 -1.03 0.00 0.00 179.24 177.56 1rqm n VAL 103 N -3.35 0.00 0.97 4.15 3.14 -0.61 -4.20 118.33 118.43 1rqm n VAL 103 Ca -0.02 -0.26 0.13 0.00 -2.96 0.00 0.00 64.34 61.23 1rqm n VAL 103 Cb 0.16 0.52 0.41 0.00 -1.06 0.00 0.00 33.84 33.87 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 -1.71 0.30 0.00 6.55 7.99 -0.96 -4.94 117.00 124.23 1rqm n LEU 104 Ca -0.00 0.25 0.00 0.00 -0.01 0.00 0.00 56.01 56.24 1rqm n LEU 104 Cb 0.30 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1rqm n LEU 104 CO 0.29 0.05 0.00 1.67 -1.51 0.00 0.00 177.39 177.89