#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 0.03 0.32 0.00 2.01 -1.26 -2.07 115.64 114.67 1rqm s THR 2 Ca 0.00 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1rqm s THR 2 Cb 0.00 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1rqm s THR 2 CO 0.00 -0.13 0.41 -0.04 -0.69 0.00 0.00 174.62 174.16 1rqm s MET 3 N -0.50 1.80 0.37 4.92 -1.94 -1.09 -5.01 119.30 117.86 1rqm s MET 3 Ca -0.06 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.15 1rqm s MET 3 Cb -0.04 0.41 -0.03 0.00 2.01 0.00 0.00 34.83 37.18 1rqm s MET 3 CO 0.02 -0.72 0.58 0.99 -0.01 0.00 0.00 175.02 175.88 1rqm s THR 4 N -3.29 4.89 0.20 2.05 2.01 -1.26 -2.98 115.64 117.27 1rqm s THR 4 Ca 0.33 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1rqm s THR 4 Cb 0.01 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1rqm s THR 4 CO 0.20 -0.53 0.01 -0.76 -0.69 0.00 0.00 174.62 172.85 1rqm s LEU 5 N -4.38 2.10 0.00 4.42 1.43 -1.21 -4.90 118.68 116.13 1rqm s LEU 5 Ca 0.42 -1.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.37 1rqm s LEU 5 Cb -0.10 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 1rqm s LEU 5 CO 0.37 -0.56 0.23 1.07 0.23 0.00 0.00 176.35 177.69 1rqm n THR 6 N -0.33 0.00 0.12 5.49 5.66 -1.26 -4.58 114.28 119.37 1rqm n THR 6 Ca -0.05 -2.16 -0.16 0.00 -3.05 0.00 0.00 64.05 58.63 1rqm n THR 6 Cb 0.64 1.02 -0.10 0.00 -1.55 0.00 0.00 70.33 70.34 1rqm n THR 6 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1rqm h ASP 7 N 1.75 -1.54 -0.29 1.09 3.58 -1.94 0.27 116.42 119.34 1rqm h ASP 7 Ca -0.22 0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 1rqm h ASP 7 Cb 1.07 0.57 -0.02 0.00 1.72 0.00 0.00 39.33 42.67 1rqm h ASP 7 CO 0.33 -0.55 0.08 0.00 -2.88 0.00 0.00 179.24 176.22 1rqm h ALA 8 N -0.59 1.44 0.00 -0.78 0.00 -1.98 -2.06 119.26 115.29 1rqm h ALA 8 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1rqm h ALA 8 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rqm h ALA 8 CO -0.27 0.41 0.00 -0.91 0.00 0.00 0.00 179.25 178.48 1rqm h ASN 9 N 0.54 0.00 0.71 0.00 4.21 -1.69 -3.12 115.58 116.23 1rqm h ASN 9 Ca 0.12 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.61 1rqm h ASN 9 Cb 0.23 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1rqm h ASN 9 CO -0.00 0.00 -0.49 0.15 -1.29 0.00 0.00 177.43 175.80 1rqm h PHE 10 N 0.00 -1.32 -0.67 1.19 3.04 -0.23 0.93 116.94 119.87 1rqm h PHE 10 Ca 0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1rqm h PHE 10 Cb 0.82 0.48 -0.03 0.00 2.56 0.00 0.00 35.95 39.78 1rqm h PHE 10 CO 0.00 -0.71 0.37 0.37 -2.02 0.00 0.00 178.31 176.31 1rqm h GLN 11 N -1.15 0.94 -0.16 1.11 -0.00 -1.67 -1.29 115.11 112.89 1rqm h GLN 11 Ca -0.09 -0.11 0.05 0.00 -0.00 0.00 0.00 58.65 58.49 1rqm h GLN 11 Cb 0.94 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.23 1rqm h GLN 11 CO 0.06 0.71 0.15 0.37 0.00 0.00 0.00 178.83 180.12 1rqm h GLN 12 N 0.92 0.00 0.00 1.69 4.15 -1.45 -2.57 115.11 117.85 1rqm h GLN 12 Ca 0.24 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.45 1rqm h GLN 12 Cb 0.04 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 1rqm h GLN 12 CO -0.04 0.00 -1.54 0.00 -1.93 0.00 0.00 178.83 175.32 1rqm n ALA 13 N -2.40 1.82 -1.00 3.38 0.00 0.30 -4.61 120.51 118.00 1rqm n ALA 13 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1rqm n ALA 13 Cb 0.27 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1rqm n ALA 13 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rqm n ILE 14 N -2.91 0.00 0.00 0.00 -5.35 -0.80 -4.84 119.36 105.46 1rqm n ILE 14 Ca -0.12 0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1rqm n ILE 14 Cb 0.90 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 1rqm n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rqm n GLN 15 N 0.00 0.00 -3.81 6.28 10.64 -1.13 -4.72 117.38 124.64 1rqm n GLN 15 Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 1rqm n GLN 15 Cb 0.00 -1.06 -0.02 0.00 -0.86 0.00 0.00 30.24 28.30 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 -0.36 2.02 0.07 2.61 0.00 -1.26 -4.50 105.19 103.78 1rqm n GLY 16 Ca 0.00 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.59 1rqm n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rqm n ASP 17 N -1.63 0.61 -4.72 1.61 5.75 -1.26 0.05 116.55 116.96 1rqm n ASP 17 Ca -0.00 0.47 -0.33 0.00 -0.01 0.00 0.00 54.79 54.91 1rqm n ASP 17 Cb 0.55 -0.57 0.11 0.00 -1.03 0.00 0.00 41.12 40.18 1rqm n ASP 17 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1rqm s GLY 18 N -3.44 2.13 -1.15 6.12 0.00 -1.26 -4.57 107.32 105.15 1rqm s GLY 18 Ca 0.11 0.75 -0.22 0.00 0.00 0.00 0.00 44.72 45.35 1rqm s GLY 18 CO 0.60 1.15 1.90 2.56 0.00 0.00 0.00 173.10 179.31 1rqm s PRO 19 N -4.18 2.69 0.07 2.90 0.04 -1.26 -4.37 135.00 130.89 1rqm s PRO 19 Ca 0.71 -1.12 -0.21 0.00 0.04 0.00 0.00 61.00 60.41 1rqm s PRO 19 Cb -0.26 -5.25 -0.06 0.00 0.04 0.00 0.00 34.50 28.96 1rqm s PRO 19 CO 0.49 -3.66 0.63 0.08 0.04 0.00 0.00 177.00 174.58 1rqm s VAL 20 N 9.99 4.72 0.00 -0.36 1.01 -1.03 -0.86 120.40 133.87 1rqm s VAL 20 Ca 0.66 1.35 0.03 0.00 0.00 0.00 0.00 61.98 64.02 1rqm s VAL 20 Cb -0.01 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1rqm s VAL 20 CO 0.10 0.49 -0.08 -0.22 0.00 0.00 0.00 175.10 175.39 1rqm s LEU 21 N -0.77 2.05 -0.08 3.92 0.20 -0.26 -0.24 118.68 123.51 1rqm s LEU 21 Ca 0.32 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.94 1rqm s LEU 21 Cb -0.20 -0.41 0.02 0.00 -0.43 0.00 0.00 46.19 45.18 1rqm s LEU 21 CO 0.20 0.07 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.56 1rqm s VAL 22 N -0.34 0.89 -0.48 1.68 1.01 0.57 -0.83 120.40 122.90 1rqm s VAL 22 Ca 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1rqm s VAL 22 Cb -0.04 -0.89 0.13 0.00 0.00 0.00 0.00 36.38 35.58 1rqm s VAL 22 CO -0.00 0.32 0.29 -1.81 0.00 0.00 0.00 175.10 173.90 1rqm s ASP 23 N 1.19 5.26 -0.27 3.32 1.01 0.68 -1.08 116.67 126.79 1rqm s ASP 23 Ca -0.05 -2.30 -0.29 0.00 0.71 0.00 0.00 52.55 50.61 1rqm s ASP 23 Cb -0.14 -1.84 -0.00 0.00 1.01 0.00 0.00 42.92 41.94 1rqm s ASP 23 CO -0.02 -0.49 1.33 -0.36 0.21 0.00 0.00 175.17 175.84 1rqm s PHE 24 N 0.75 2.65 0.50 4.23 0.08 0.42 -1.18 117.98 125.43 1rqm s PHE 24 Ca 0.11 0.86 0.03 0.00 0.12 0.00 0.00 56.93 58.05 1rqm s PHE 24 Cb -0.22 -3.85 -0.01 0.00 -0.57 0.00 0.00 43.02 38.36 1rqm s PHE 24 CO -0.04 -1.84 0.10 1.67 -0.10 0.00 0.00 175.22 175.01 1rqm s TRP 25 N 4.32 1.96 0.10 0.36 1.48 -0.58 -1.95 118.94 124.62 1rqm s TRP 25 Ca 0.58 -0.87 -0.08 0.00 -1.06 0.00 0.00 56.10 54.66 1rqm s TRP 25 Cb -0.18 -1.72 -0.01 0.00 -1.16 0.00 0.00 33.47 30.40 1rqm s TRP 25 CO 0.22 0.11 0.20 0.00 -4.06 0.00 0.00 176.95 173.42 1rqm s ALA 26 N -2.81 -0.12 -1.49 2.67 0.00 -1.26 -0.44 121.76 118.30 1rqm s ALA 26 Ca 0.18 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1rqm s ALA 26 Cb 0.02 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1rqm s ALA 26 CO 0.10 -0.53 0.57 0.00 0.00 0.00 0.00 175.76 175.90 1rqm n ALA 27 N -0.09 2.21 0.11 0.00 0.00 -1.26 -3.71 120.51 117.77 1rqm n ALA 27 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1rqm n ALA 27 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.19 -1.85 0.00 0.00 2.14 -1.26 -5.07 117.44 111.21 1rqm n TRP 28 Ca 0.00 0.33 0.00 0.00 2.07 0.00 0.00 57.50 59.90 1rqm n TRP 28 Cb 0.10 0.49 0.00 0.00 -0.81 0.00 0.00 31.31 31.09 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 0.00 1.18 0.33 0.00 0.00 -1.26 -4.71 105.19 100.73 1rqm n GLY 30 Ca 0.00 -0.66 0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.89 -0.63 132.00 131.22 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 -0.02 0.00 -0.23 0.00 0.00 178.00 177.75 1rqm h ARG 33 N 0.00 0.00 0.00 0.00 1.12 -1.45 0.19 114.38 114.24 1rqm h ARG 33 Ca -0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.69 1rqm h ARG 33 Cb 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 1rqm h ARG 33 CO 0.00 0.08 -2.07 -1.33 -3.11 0.00 0.00 179.97 173.54 1rqm n MET 34 N -3.33 0.67 0.08 0.20 2.81 -0.04 -4.42 117.12 113.08 1rqm n MET 34 Ca -0.01 -0.06 -0.18 0.00 -1.81 0.00 0.00 57.70 55.64 1rqm n MET 34 Cb 0.27 -1.56 -0.14 0.00 -0.71 0.00 0.00 33.22 31.07 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 0.29 -0.51 0.03 4.05 -0.72 -3.19 114.93 114.88 1rqm h MET 35 Ca -0.26 -0.50 0.10 0.00 -0.28 0.00 0.00 59.70 58.77 1rqm h MET 35 Cb 1.61 0.19 -0.10 0.00 -0.80 0.00 0.00 31.60 32.49 1rqm h MET 35 CO 0.02 1.18 -0.19 0.00 0.23 0.00 0.00 176.91 178.15 1rqm h ALA 36 N 0.44 0.22 -0.81 0.39 0.00 -0.83 0.48 119.26 119.16 1rqm h ALA 36 Ca -0.24 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rqm h ALA 36 Cb 2.03 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 20.27 1rqm h ALA 36 CO 0.18 -0.51 0.38 -1.00 0.00 0.00 0.00 179.25 178.30 1rqm h PRO 37 N -0.07 1.17 0.00 0.00 0.13 -1.78 -1.31 132.00 130.13 1rqm h PRO 37 Ca 0.24 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1rqm h PRO 37 Cb 0.44 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 1rqm h PRO 37 CO -0.56 0.90 -0.03 -0.24 -0.23 0.00 0.00 178.00 177.85 1rqm h VAL 38 N 1.15 0.09 0.00 1.56 3.04 -0.88 -2.86 116.25 118.36 1rqm h VAL 38 Ca 0.28 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1rqm h VAL 38 Cb 0.13 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1rqm h VAL 38 CO -0.03 0.03 -1.12 0.18 -1.01 0.00 0.00 177.57 175.62 1rqm n LEU 39 N -3.15 0.62 -0.06 3.16 4.77 0.15 -1.94 117.00 120.54 1rqm n LEU 39 Ca -0.00 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1rqm n LEU 39 Cb 0.27 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1rqm n LEU 39 CO 0.27 -0.06 0.63 -0.08 -1.33 0.00 0.00 177.39 176.82 1rqm h GLU 40 N 0.00 0.41 -0.30 3.23 4.81 -1.02 0.14 114.58 121.85 1rqm h GLU 40 Ca 0.00 -0.20 0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1rqm h GLU 40 Cb 0.87 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.19 1rqm h GLU 40 CO 0.00 0.74 -0.08 1.49 -0.73 0.00 0.00 179.01 180.42 1rqm h GLU 41 N 0.08 -0.01 -0.09 1.92 4.81 -1.61 -2.16 114.58 117.51 1rqm h GLU 41 Ca 0.04 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1rqm h GLU 41 Cb 0.64 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1rqm h GLU 41 CO 0.03 -0.01 -0.12 0.35 -0.73 0.00 0.00 179.01 178.54 1rqm h PHE 42 N -0.01 -0.29 0.00 0.92 3.57 -1.27 -1.75 116.94 118.11 1rqm h PHE 42 Ca 0.15 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1rqm h PHE 42 Cb 0.23 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1rqm h PHE 42 CO -0.29 -0.17 -0.35 0.00 -2.23 0.00 0.00 178.31 175.27 1rqm h ALA 43 N 0.90 -0.52 -0.69 2.41 0.00 -0.43 -2.45 119.26 118.48 1rqm h ALA 43 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1rqm h ALA 43 Cb 0.26 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1rqm h ALA 43 CO -0.19 -0.87 0.41 1.49 0.00 0.00 0.00 179.25 180.10 1rqm h GLU 44 N -0.50 0.75 -0.07 0.00 4.81 -1.28 -2.02 114.58 116.28 1rqm h GLU 44 Ca 0.06 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1rqm h GLU 44 Cb 0.59 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1rqm h GLU 44 CO -0.28 0.50 0.28 0.00 -0.73 0.00 0.00 179.01 178.77 1rqm h ALA 45 N 1.33 1.42 -0.30 2.92 0.00 -0.81 -2.83 119.26 120.98 1rqm h ALA 45 Ca 0.29 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1rqm h ALA 45 Cb 0.11 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.60 1rqm h ALA 45 CO -0.15 -0.31 -0.80 -2.39 0.00 0.00 0.00 179.25 175.60 1rqm n HIS 46 N -3.12 -0.03 -0.33 0.00 1.44 -1.02 -5.03 115.22 107.12 1rqm n HIS 46 Ca -0.01 -2.02 0.22 0.00 -2.01 0.00 0.00 57.72 53.90 1rqm n HIS 46 Cb 0.35 0.45 0.49 0.00 0.12 0.00 0.00 29.99 31.40 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 2.05 2.16 0.00 1.59 0.00 -1.11 -2.55 119.26 121.40 1rqm h ALA 47 Ca -0.25 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1rqm h ALA 47 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1rqm h ALA 47 CO 0.06 -0.59 0.00 -3.47 0.00 0.00 0.00 179.25 175.25 1rqm n ASP 48 N -4.69 0.63 0.01 0.00 2.03 -1.26 -2.65 116.55 110.62 1rqm n ASP 48 Ca 0.26 -1.24 -0.02 0.00 0.52 0.00 0.00 54.79 54.31 1rqm n ASP 48 Cb 0.88 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.51 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 0.50 -5.72 -0.67 3.64 -1.85 -3.40 116.57 109.06 1rqm h LYS 49 Ca 0.00 -0.16 -0.61 0.00 -1.27 0.00 0.00 60.65 58.62 1rqm h LYS 49 Cb 0.62 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.29 1rqm h LYS 49 CO 0.00 0.65 -0.52 0.14 -2.27 0.00 0.00 179.45 177.45 1rqm s VAL 50 N -4.65 2.00 -0.39 2.00 -7.23 -1.18 -4.80 120.40 106.15 1rqm s VAL 50 Ca -0.07 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1rqm s VAL 50 Cb 0.14 -2.84 0.11 0.00 0.56 0.00 0.00 36.38 34.36 1rqm s VAL 50 CO 0.78 0.00 0.13 0.28 -0.31 0.00 0.00 175.10 175.98 1rqm s THR 51 N -2.69 2.55 0.52 5.32 -1.32 -0.04 -0.10 115.64 119.89 1rqm s THR 51 Ca 0.34 -2.51 -0.07 0.00 -1.21 0.00 0.00 61.69 58.24 1rqm s THR 51 Cb 0.05 -2.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 1rqm s THR 51 CO 0.18 -0.66 0.86 0.54 -2.21 0.00 0.00 174.62 173.33 1rqm s VAL 52 N 0.68 4.84 0.06 5.08 0.11 -0.88 -1.10 120.40 129.19 1rqm s VAL 52 Ca 0.12 0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 59.53 1rqm s VAL 52 Cb -0.21 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.77 1rqm s VAL 52 CO -0.06 -0.93 0.15 0.00 -3.33 0.00 0.00 175.10 170.93 1rqm s ALA 53 N -2.87 -0.16 -0.03 1.54 0.00 -0.01 -2.67 121.76 117.56 1rqm s ALA 53 Ca 0.50 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1rqm s ALA 53 Cb -0.10 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1rqm s ALA 53 CO 0.47 -0.40 -0.22 -1.59 0.00 0.00 0.00 175.76 174.03 1rqm s LYS 54 N -3.11 1.94 -0.01 0.00 -2.85 -1.16 -0.23 119.74 114.33 1rqm s LYS 54 Ca -0.01 -0.78 -0.17 0.00 -1.00 0.00 0.00 55.97 54.02 1rqm s LYS 54 Cb 0.02 -1.78 0.03 0.00 -2.06 0.00 0.00 37.83 34.03 1rqm s LYS 54 CO -0.07 0.41 0.35 -0.48 0.10 0.00 0.00 175.35 175.66 1rqm s LEU 55 N -0.33 0.68 -0.32 2.77 0.05 -0.32 -3.33 118.68 117.88 1rqm s LEU 55 Ca 0.04 0.11 -0.27 0.00 0.05 0.00 0.00 54.13 54.06 1rqm s LEU 55 Cb -0.10 1.43 0.01 0.00 -2.05 0.00 0.00 46.19 45.48 1rqm s LEU 55 CO 0.01 -0.50 0.96 0.21 -0.55 0.00 0.00 176.35 176.48 1rqm s ASN 56 N -1.44 6.82 0.55 1.48 3.84 -1.26 -1.53 114.94 123.40 1rqm s ASN 56 Ca -0.12 0.87 0.22 0.00 0.21 0.00 0.00 52.86 54.05 1rqm s ASN 56 Cb -0.04 -2.49 1.52 0.00 -0.55 0.00 0.00 41.25 39.70 1rqm s ASN 56 CO 0.04 -0.78 2.19 1.62 -2.79 0.00 0.00 177.10 177.38 1rqm h VAL 57 N 5.68 0.78 -0.08 -5.21 3.04 -1.07 -1.60 116.25 117.79 1rqm h VAL 57 Ca -0.22 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.38 1rqm h VAL 57 Cb 1.07 0.99 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1rqm h VAL 57 CO 0.97 0.00 -0.35 -0.78 -1.01 0.00 0.00 177.57 176.40 1rqm h ASP 58 N 0.00 0.15 1.22 3.17 3.58 -1.92 -2.97 116.42 119.65 1rqm h ASP 58 Ca 0.01 -0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.29 1rqm h ASP 58 Cb 0.03 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1rqm h ASP 58 CO -0.00 0.50 -0.82 -0.08 -2.88 0.00 0.00 179.24 175.96 1rqm h GLU 59 N 0.13 0.00 -3.42 0.28 4.81 -1.69 -3.41 114.58 111.28 1rqm h GLU 59 Ca 0.02 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.56 1rqm h GLU 59 Cb 0.68 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.70 1rqm h GLU 59 CO 0.05 0.39 -0.35 1.21 -0.73 0.00 0.00 179.01 179.57 1rqm s ASN 60 N -6.16 5.25 0.37 1.04 3.04 -1.12 -4.40 114.94 112.97 1rqm s ASN 60 Ca 0.02 -3.22 0.20 0.00 0.04 0.00 0.00 52.86 49.90 1rqm s ASN 60 Cb 0.08 -1.82 0.55 0.00 -1.54 0.00 0.00 41.25 38.52 1rqm s ASN 60 CO 0.77 -0.27 1.66 1.55 -3.04 0.00 0.00 177.10 177.77 1rqm h PRO 61 N 6.51 0.00 -6.58 0.43 0.13 -1.81 -3.40 132.00 127.28 1rqm h PRO 61 Ca 0.04 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.64 1rqm h PRO 61 Cb 0.89 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.04 1rqm h PRO 61 CO 0.74 0.34 0.70 -2.00 -0.23 0.00 0.00 178.00 177.56 1rqm s GLU 62 N -3.38 4.34 0.00 0.86 -6.30 -1.26 -1.31 118.70 111.65 1rqm s GLU 62 Ca 0.02 2.07 0.00 0.00 -2.50 0.00 0.00 54.97 54.56 1rqm s GLU 62 Cb 0.09 -3.23 0.00 0.00 0.00 0.00 0.00 34.13 30.99 1rqm s GLU 62 CO 0.69 -0.39 0.00 2.41 0.02 0.00 0.00 175.26 177.99 1rqm n THR 63 N 3.60 0.00 0.06 -1.70 -1.04 -1.26 -4.64 114.28 109.29 1rqm n THR 63 Ca 0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.99 1rqm n THR 63 Cb 0.42 0.00 -0.05 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 0.36 0.00 12.58 2.02 -1.75 -0.57 112.91 125.54 1rqm h THR 64 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rqm h THR 64 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1rqm h THR 64 CO 0.00 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.65 1rqm n SER 65 N -5.40 0.00 -0.08 4.18 2.88 -0.43 -1.56 113.62 113.22 1rqm n SER 65 Ca -0.05 -0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 57.09 1rqm n SER 65 Cb 0.31 -0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.10 1.10 -0.61 -1.46 -0.06 -0.40 -4.53 117.38 110.33 1rqm n GLN 66 Ca 0.10 0.05 0.09 0.00 -2.00 0.00 0.00 57.00 55.24 1rqm n GLN 66 Cb 0.08 -1.35 0.35 0.00 -4.06 0.00 0.00 30.24 25.26 1rqm n GLN 66 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1rqm n PHE 67 N -2.76 1.48 -2.63 3.69 3.72 -0.36 -4.94 117.46 115.66 1rqm n PHE 67 Ca -0.26 -0.59 -0.15 0.00 -0.05 0.00 0.00 57.45 56.40 1rqm n PHE 67 Cb 0.88 -0.25 0.02 0.00 -0.94 0.00 0.00 39.48 39.19 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 1.13 -0.19 3.58 1.37 0.00 -1.08 -4.88 105.19 105.12 1rqm n GLY 68 Ca 0.25 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.91 3.79 -0.26 -0.61 -1.09 -0.60 -4.56 121.20 114.96 1rqm s ILE 69 Ca 0.15 -1.34 0.22 0.00 -2.23 0.00 0.00 60.65 57.45 1rqm s ILE 69 Cb -0.06 -4.84 0.51 0.00 -1.58 0.00 0.00 42.46 36.48 1rqm s ILE 69 CO 0.18 -1.45 1.11 0.80 -1.23 0.00 0.00 174.94 174.35 1rqm n MET 70 N 8.35 1.83 -2.84 2.79 1.56 -1.26 -4.86 117.12 122.69 1rqm n MET 70 Ca 0.46 -3.54 -0.11 0.00 -0.27 0.00 0.00 57.70 54.24 1rqm n MET 70 Cb 0.46 -1.64 0.06 0.00 2.15 0.00 0.00 33.22 34.25 1rqm n MET 70 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1rqm n SER 71 N -0.60 -1.65 -4.73 6.12 7.64 -1.26 -5.14 113.62 113.99 1rqm n SER 71 Ca 0.09 -3.49 -0.34 0.00 1.01 0.00 0.00 58.87 56.14 1rqm n SER 71 Cb 0.81 1.30 0.08 0.00 -1.01 0.00 0.00 64.21 65.39 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 -0.30 2.44 0.06 0.44 -0.00 -1.26 -3.97 121.20 118.60 1rqm s ILE 72 Ca 0.27 0.22 -0.31 0.00 -0.00 0.00 0.00 60.65 60.84 1rqm s ILE 72 Cb 0.29 -2.81 -0.07 0.00 -0.00 0.00 0.00 42.46 39.87 1rqm s ILE 72 CO -0.08 -0.11 1.53 -2.16 -0.00 0.00 0.00 174.94 174.12 1rqm s PRO 73 N -3.87 4.24 -0.12 0.37 0.04 -1.26 -4.72 135.00 129.68 1rqm s PRO 73 Ca 0.74 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1rqm s PRO 73 Cb -0.28 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 1rqm s PRO 73 CO 0.44 -0.63 -0.14 0.99 0.04 0.00 0.00 177.00 177.69 1rqm s THR 74 N 2.25 2.98 -0.16 1.26 2.01 -0.82 -0.60 115.64 122.56 1rqm s THR 74 Ca 0.69 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1rqm s THR 74 Cb -0.37 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 69.93 1rqm s THR 74 CO 0.30 0.53 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.39 1rqm s LEU 75 N 0.29 1.78 0.08 4.42 0.20 0.13 -0.44 118.68 125.14 1rqm s LEU 75 Ca -0.10 -0.53 0.07 0.00 0.69 0.00 0.00 54.13 54.25 1rqm s LEU 75 Cb -0.16 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.36 1rqm s LEU 75 CO 0.06 -0.06 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.24 1rqm s ILE 76 N 1.46 1.54 -0.07 6.68 1.01 -0.24 0.16 121.20 131.73 1rqm s ILE 76 Ca 0.05 -1.39 0.05 0.00 0.00 0.00 0.00 60.65 59.35 1rqm s ILE 76 Cb -0.13 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 1rqm s ILE 76 CO -0.11 -0.04 -0.22 -0.22 0.00 0.00 0.00 174.94 174.35 1rqm s LEU 77 N -1.67 2.01 0.19 2.97 0.20 -0.85 -0.32 118.68 121.20 1rqm s LEU 77 Ca 0.05 -0.48 0.11 0.00 0.69 0.00 0.00 54.13 54.49 1rqm s LEU 77 Cb -0.10 -1.26 -0.04 0.00 -0.43 0.00 0.00 46.19 44.36 1rqm s LEU 77 CO 0.03 0.18 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.69 1rqm s PHE 78 N 0.13 2.17 -0.09 5.38 0.40 0.67 -0.93 117.98 125.71 1rqm s PHE 78 Ca -0.10 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.55 1rqm s PHE 78 Cb -0.15 -1.06 0.10 0.00 0.51 0.00 0.00 43.02 42.42 1rqm s PHE 78 CO 0.05 0.48 0.84 -1.59 0.70 0.00 0.00 175.22 175.70 1rqm s LYS 79 N -2.79 0.84 -1.16 0.44 -2.85 -0.25 -2.47 119.74 111.50 1rqm s LYS 79 Ca 0.20 0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.30 1rqm s LYS 79 Cb -0.07 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1rqm s LYS 79 CO 0.09 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 175.68 1rqm n GLY 80 N 0.66 1.09 3.47 0.59 0.00 0.11 -0.85 105.19 110.26 1rqm n GLY 80 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.13 1.12 3.74 -0.02 0.00 -1.22 -4.74 105.19 103.94 1rqm n GLY 81 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.22 4.42 -0.77 1.61 2.12 -0.03 -4.91 118.70 120.91 1rqm s GLU 82 Ca 0.00 0.89 -0.26 0.00 0.36 0.00 0.00 54.97 55.97 1rqm s GLU 82 Cb 0.00 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1rqm s GLU 82 CO 0.00 0.26 1.75 -1.25 -0.54 0.00 0.00 175.26 175.48 1rqm s PRO 83 N 0.11 2.79 0.35 4.30 0.04 -1.26 -1.09 135.00 140.24 1rqm s PRO 83 Ca 0.35 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.44 1rqm s PRO 83 Cb -0.19 -4.67 0.65 0.00 0.04 0.00 0.00 34.50 30.33 1rqm s PRO 83 CO 0.20 -2.79 1.98 -0.39 0.04 0.00 0.00 177.00 176.03 1rqm h VAL 84 N 6.86 1.16 -3.43 -0.36 -1.51 -1.35 -3.43 116.25 114.20 1rqm h VAL 84 Ca -0.10 -0.42 -0.06 0.00 -1.23 0.00 0.00 66.70 64.89 1rqm h VAL 84 Cb 1.08 0.47 -0.13 0.00 -2.13 0.00 0.00 31.29 30.58 1rqm h VAL 84 CO 1.25 0.18 -0.11 -1.59 -1.23 0.00 0.00 177.57 176.07 1rqm s LYS 85 N -5.48 1.04 -0.02 5.19 -2.85 -1.21 -5.05 119.74 111.36 1rqm s LYS 85 Ca -0.09 -0.73 0.06 0.00 -1.00 0.00 0.00 55.97 54.21 1rqm s LYS 85 Cb 0.17 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.37 1rqm s LYS 85 CO 0.76 -0.40 -0.20 -1.14 0.10 0.00 0.00 175.35 174.47 1rqm s GLN 86 N -3.77 2.25 0.14 1.78 -0.44 -1.26 -2.01 119.66 116.34 1rqm s GLN 86 Ca 0.03 -0.85 0.09 0.00 -2.50 0.00 0.00 55.36 52.13 1rqm s GLN 86 Cb 0.02 -2.19 -0.04 0.00 -1.64 0.00 0.00 33.01 29.16 1rqm s GLN 86 CO -0.12 0.58 -0.21 -0.51 0.50 0.00 0.00 175.29 175.53 1rqm s LEU 87 N -0.80 2.38 -0.10 3.68 2.01 0.12 -5.01 118.68 120.96 1rqm s LEU 87 Ca 0.11 -0.79 -0.04 0.00 0.01 0.00 0.00 54.13 53.42 1rqm s LEU 87 Cb -0.10 -0.97 0.05 0.00 0.01 0.00 0.00 46.19 45.18 1rqm s LEU 87 CO 0.01 0.06 0.22 0.27 1.01 0.00 0.00 176.35 177.91 1rqm s ILE 88 N -1.55 -0.17 0.00 -0.59 -5.25 -1.26 -0.69 121.20 111.69 1rqm s ILE 88 Ca 0.13 0.21 0.00 0.00 -0.99 0.00 0.00 60.65 60.01 1rqm s ILE 88 Cb -0.08 -0.36 0.00 0.00 2.95 0.00 0.00 42.46 44.97 1rqm s ILE 88 CO 0.06 0.09 0.00 0.61 -1.79 0.00 0.00 174.94 173.91 1rqm n GLY 89 N 4.65 -0.06 3.74 6.27 0.00 0.23 -4.97 105.19 115.06 1rqm n GLY 89 Ca -0.18 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1rqm n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rqm s TYR 90 N -2.62 2.85 0.01 1.61 6.14 -1.26 -4.91 117.35 119.17 1rqm s TYR 90 Ca 0.00 0.76 0.01 0.00 0.64 0.00 0.00 57.07 58.48 1rqm s TYR 90 Cb 0.00 -4.01 -0.01 0.00 0.42 0.00 0.00 41.96 38.36 1rqm s TYR 90 CO 0.00 -3.48 -0.04 -0.65 0.64 0.00 0.00 175.55 172.03 1rqm s GLN 91 N -0.13 0.30 0.78 4.97 -0.21 -1.26 -5.12 119.66 118.99 1rqm s GLN 91 Ca 0.64 -0.33 -0.13 0.00 0.02 0.00 0.00 55.36 55.56 1rqm s GLN 91 Cb -0.46 -0.17 0.07 0.00 1.00 0.00 0.00 33.01 33.44 1rqm s GLN 91 CO 0.44 0.04 1.15 -1.25 -2.12 0.00 0.00 175.29 173.54 1rqm s PRO 92 N -0.65 1.98 0.27 2.91 0.04 -1.26 -4.70 135.00 133.59 1rqm s PRO 92 Ca -0.05 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 1rqm s PRO 92 Cb -0.05 -1.84 0.36 0.00 0.04 0.00 0.00 34.50 33.01 1rqm s PRO 92 CO -0.00 -1.90 1.89 0.87 0.04 0.00 0.00 177.00 177.90 1rqm h LYS 93 N -0.87 1.08 -0.07 4.56 6.56 -1.98 0.04 116.57 125.90 1rqm h LYS 93 Ca -0.45 -0.12 0.02 0.00 -1.06 0.00 0.00 60.65 59.03 1rqm h LYS 93 Cb 1.26 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1rqm h LYS 93 CO 0.49 0.79 0.25 0.93 -2.06 0.00 0.00 179.45 179.85 1rqm h GLU 94 N 1.08 0.00 0.00 3.15 5.08 -1.98 0.25 114.58 122.17 1rqm h GLU 94 Ca 0.27 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.25 1rqm h GLU 94 Cb 0.04 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1rqm h GLU 94 CO -0.04 0.00 -2.17 0.94 -1.00 0.00 0.00 179.01 176.74 1rqm n GLN 95 N -3.14 0.58 0.38 2.33 -0.06 -0.19 -3.97 117.38 113.31 1rqm n GLN 95 Ca -0.01 0.32 -0.19 0.00 -2.00 0.00 0.00 57.00 55.13 1rqm n GLN 95 Cb 0.33 -1.54 -0.09 0.00 -4.06 0.00 0.00 30.24 24.88 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 -1.00 -1.15 -1.92 1.69 6.46 -0.70 0.32 115.31 119.01 1rqm h LEU 96 Ca -0.58 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.26 1rqm h LEU 96 Cb 1.50 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 41.76 1rqm h LEU 96 CO -0.35 -0.68 0.08 -0.08 -0.62 0.00 0.00 178.44 176.79 1rqm h GLU 97 N -1.08 0.10 -0.00 1.25 4.57 -0.74 0.43 114.58 119.10 1rqm h GLU 97 Ca -0.09 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1rqm h GLU 97 Cb 0.88 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1rqm h GLU 97 CO 0.07 0.07 -0.38 0.00 -1.18 0.00 0.00 179.01 177.59 1rqm h ALA 98 N 1.93 0.05 -0.09 2.92 0.00 -1.58 -2.12 119.26 120.38 1rqm h ALA 98 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1rqm h ALA 98 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rqm h ALA 98 CO -0.01 0.19 -0.19 0.37 0.00 0.00 0.00 179.25 179.61 1rqm h GLN 99 N -0.34 0.14 -0.11 0.00 5.75 0.11 -2.12 115.11 118.54 1rqm h GLN 99 Ca -0.05 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1rqm h GLN 99 Cb 1.12 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1rqm h GLN 99 CO 0.08 0.33 0.00 -0.11 -2.65 0.00 0.00 178.83 176.48 1rqm n LEU 100 N -4.25 1.97 0.30 -2.39 7.94 0.10 -4.63 117.00 116.04 1rqm n LEU 100 Ca -0.01 -0.74 0.20 0.00 -1.11 0.00 0.00 56.01 54.34 1rqm n LEU 100 Cb 0.29 -0.07 1.06 0.00 0.53 0.00 0.00 43.42 45.23 1rqm n LEU 100 CO 0.38 0.37 1.11 0.00 -1.11 0.00 0.00 177.39 178.14 1rqm h ALA 101 N 4.31 1.00 0.00 1.96 0.00 -0.66 0.62 119.26 126.49 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 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rqm h ALA 101 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 1rqm h ASP 102 N 0.00 0.00 0.00 0.00 5.19 -1.82 0.14 116.42 119.93 1rqm h ASP 102 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1rqm h ASP 102 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1rqm h ASP 102 CO 0.00 0.00 0.00 1.33 -3.12 0.00 0.00 179.24 177.45 1rqm n VAL 103 N -3.06 0.00 0.12 -1.35 0.24 -0.36 -4.51 118.33 109.42 1rqm n VAL 103 Ca 0.01 -0.42 0.08 0.00 -2.04 0.00 0.00 64.34 61.97 1rqm n VAL 103 Cb 0.31 1.05 0.15 0.00 -1.47 0.00 0.00 33.84 33.88 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rqm n LEU 104 N -0.60 2.89 0.00 1.34 7.99 0.07 -4.91 117.00 123.77 1rqm n LEU 104 Ca 0.00 -1.60 0.00 0.00 -0.01 0.00 0.00 56.01 54.40 1rqm n LEU 104 Cb 0.01 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 1rqm n LEU 104 CO 0.00 0.66 0.11 1.67 -1.51 0.00 0.00 177.39 178.32