#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 0.08 0.31 0.00 2.01 -1.26 -1.60 115.64 115.18 1rqm s THR 2 Ca 0.00 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1rqm s THR 2 Cb 0.00 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 1rqm s THR 2 CO 0.00 -0.38 0.39 0.80 -0.69 0.00 0.00 174.62 174.74 1rqm n MET 3 N 1.54 0.56 -4.33 4.92 0.00 -0.28 -4.94 117.12 114.59 1rqm n MET 3 Ca -0.22 -2.63 -0.33 0.00 0.00 0.00 0.00 57.70 54.52 1rqm n MET 3 Cb 0.56 2.42 -0.09 0.00 0.00 0.00 0.00 33.22 36.10 1rqm n MET 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1rqm s THR 4 N -2.89 4.05 0.29 1.12 2.01 -1.26 -3.65 115.64 115.32 1rqm s THR 4 Ca 0.29 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.76 1rqm s THR 4 Cb -0.00 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1rqm s THR 4 CO 0.20 0.40 0.10 -0.76 -0.69 0.00 0.00 174.62 173.87 1rqm s LEU 5 N -1.46 3.35 0.00 4.42 1.02 -0.31 -4.88 118.68 120.82 1rqm s LEU 5 Ca 0.18 -0.61 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1rqm s LEU 5 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.23 1rqm s LEU 5 CO 0.09 -0.12 0.00 1.07 0.02 0.00 0.00 176.35 177.41 1rqm n THR 6 N -1.06 0.00 0.00 5.49 5.66 -1.26 -4.49 114.28 118.63 1rqm n THR 6 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1rqm n THR 6 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1rqm n THR 6 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1rqm n ASP 7 N 0.00 0.00 -0.25 1.09 5.75 -1.26 -3.99 116.55 117.89 1rqm n ASP 7 Ca 0.00 0.36 -0.01 0.00 -0.01 0.00 0.00 54.79 55.12 1rqm n ASP 7 Cb 0.00 -0.46 0.10 0.00 -1.03 0.00 0.00 41.12 39.73 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 -2.00 0.94 0.00 2.12 0.00 -1.98 -0.58 119.26 117.76 1rqm h ALA 8 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rqm h ALA 8 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1rqm h ALA 8 CO 0.00 0.11 0.00 -1.71 0.00 0.00 0.00 179.25 177.65 1rqm n ASN 9 N -4.74 0.71 0.06 0.00 5.15 -1.26 -1.72 115.26 113.45 1rqm n ASN 9 Ca 0.09 0.61 -0.02 0.00 -0.60 0.00 0.00 54.58 54.65 1rqm n ASN 9 Cb 0.16 -0.78 -0.01 0.00 -0.53 0.00 0.00 39.78 38.62 1rqm n ASN 9 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1rqm h PHE 10 N 0.00 -0.14 -0.40 1.20 3.04 -1.23 -1.96 116.94 117.45 1rqm h PHE 10 Ca 0.00 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1rqm h PHE 10 Cb 0.58 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.07 1rqm h PHE 10 CO 0.00 -0.09 0.01 0.37 -2.02 0.00 0.00 178.31 176.58 1rqm h GLN 11 N -0.21 0.11 0.00 1.11 -0.00 -1.54 0.95 115.11 115.53 1rqm h GLN 11 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1rqm h GLN 11 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.57 1rqm h GLN 11 CO 0.03 0.07 0.00 1.96 0.00 0.00 0.00 178.83 180.89 1rqm h GLN 12 N 0.11 0.00 0.07 1.69 4.20 -1.46 -1.18 115.11 118.55 1rqm h GLN 12 Ca 0.20 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1rqm h GLN 12 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1rqm h GLN 12 CO -0.32 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 177.80 1rqm h ALA 13 N 2.02 -0.10 0.00 3.87 0.00 -0.44 -3.40 119.26 121.21 1rqm h ALA 13 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rqm h ALA 13 Cb 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rqm h ALA 13 CO 0.00 -0.10 -0.02 -0.84 0.00 0.00 0.00 179.25 178.30 1rqm h ILE 14 N -1.02 0.19 0.00 0.00 3.07 -0.39 -0.90 117.51 118.47 1rqm h ILE 14 Ca -0.01 -0.15 -0.00 0.00 1.55 0.00 0.00 64.86 66.25 1rqm h ILE 14 Cb 0.19 1.12 -0.00 0.00 -0.27 0.00 0.00 36.82 37.86 1rqm h ILE 14 CO 0.02 0.02 -0.01 0.06 -1.05 0.00 0.00 178.15 177.19 1rqm h GLN 15 N 0.00 0.00 -7.47 0.16 -0.00 -1.44 0.17 115.11 106.53 1rqm h GLN 15 Ca -0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.17 1rqm h GLN 15 Cb 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 27.48 27.68 1rqm h GLN 15 CO 0.00 0.01 0.38 0.20 -0.00 0.00 0.00 178.83 179.42 1rqm s GLY 16 N -4.17 1.62 0.00 0.06 0.00 -0.34 -3.50 107.32 100.98 1rqm s GLY 16 Ca -0.02 -0.51 0.27 0.00 0.00 0.00 0.00 44.72 44.46 1rqm s GLY 16 CO 0.48 -0.11 1.63 1.34 0.00 0.00 0.00 173.10 176.44 1rqm n ASP 17 N -3.05 1.04 -4.75 1.64 2.03 -1.26 -0.39 116.55 111.80 1rqm n ASP 17 Ca 0.07 -0.95 -0.37 0.00 0.52 0.00 0.00 54.79 54.06 1rqm n ASP 17 Cb 0.59 0.09 0.03 0.00 -0.72 0.00 0.00 41.12 41.11 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 -2.42 2.80 -0.63 0.27 0.00 -1.26 -4.88 107.32 101.21 1rqm s GLY 18 Ca 0.27 1.11 -0.26 0.00 0.00 0.00 0.00 44.72 45.84 1rqm s GLY 18 CO 0.49 1.55 2.27 2.56 0.00 0.00 0.00 173.10 179.96 1rqm s PRO 19 N -3.13 2.10 -0.34 2.90 0.04 -1.26 -4.52 135.00 130.79 1rqm s PRO 19 Ca 0.75 0.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1rqm s PRO 19 Cb -0.34 -4.64 -0.02 0.00 0.04 0.00 0.00 34.50 29.54 1rqm s PRO 19 CO 0.38 -3.49 0.28 0.08 0.04 0.00 0.00 177.00 174.28 1rqm s VAL 20 N 12.14 5.25 -0.21 -0.36 1.01 -0.60 -0.39 120.40 137.23 1rqm s VAL 20 Ca 0.88 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 1rqm s VAL 20 Cb -0.14 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1rqm s VAL 20 CO 0.18 -0.03 -0.07 -0.22 0.00 0.00 0.00 175.10 174.96 1rqm s LEU 21 N 1.82 2.77 -0.33 3.92 0.20 0.31 -0.10 118.68 127.27 1rqm s LEU 21 Ca 0.08 -0.45 -0.07 0.00 0.69 0.00 0.00 54.13 54.38 1rqm s LEU 21 Cb -0.17 -1.69 0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1rqm s LEU 21 CO 0.11 -0.02 0.10 -0.69 -0.29 0.00 0.00 176.35 175.56 1rqm s VAL 22 N 1.44 3.82 -0.75 1.68 1.01 0.15 -0.25 120.40 127.49 1rqm s VAL 22 Ca 0.05 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 1rqm s VAL 22 Cb -0.14 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1rqm s VAL 22 CO -0.05 -0.14 1.22 -0.62 0.00 0.00 0.00 175.10 175.51 1rqm s ASP 23 N 1.42 6.21 -0.40 3.32 2.15 0.39 -2.66 116.67 127.09 1rqm s ASP 23 Ca -0.01 -0.72 -0.28 0.00 0.43 0.00 0.00 52.55 51.97 1rqm s ASP 23 Cb -0.19 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1rqm s ASP 23 CO 0.03 -1.69 1.06 -0.36 -0.17 0.00 0.00 175.17 174.03 1rqm s PHE 24 N 5.18 2.98 0.16 -5.34 0.08 0.06 -0.91 117.98 120.20 1rqm s PHE 24 Ca 0.33 0.84 0.02 0.00 0.12 0.00 0.00 56.93 58.25 1rqm s PHE 24 Cb -0.09 -4.00 -0.01 0.00 -0.57 0.00 0.00 43.02 38.35 1rqm s PHE 24 CO 0.11 -1.01 0.08 -2.67 -0.10 0.00 0.00 175.22 171.63 1rqm n TRP 25 N 7.26 -0.10 -3.73 0.36 4.27 -0.87 -2.00 117.44 122.65 1rqm n TRP 25 Ca 0.10 -1.13 -0.09 0.00 -3.89 0.00 0.00 57.50 52.49 1rqm n TRP 25 Cb 0.48 0.05 -0.03 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 -2.51 -1.21 0.48 -1.67 0.00 -1.26 -0.35 121.76 115.24 1rqm s ALA 26 Ca 0.12 -0.12 0.39 0.00 0.00 0.00 0.00 51.96 52.35 1rqm s ALA 26 Cb 0.01 0.87 2.00 0.00 0.00 0.00 0.00 23.12 26.00 1rqm s ALA 26 CO 0.08 -0.91 2.23 0.00 0.00 0.00 0.00 175.76 177.16 1rqm h ALA 27 N 2.06 1.05 0.00 0.00 0.00 -1.98 -3.23 119.26 117.16 1rqm h ALA 27 Ca -0.25 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.29 1rqm h ALA 27 Cb 1.27 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1rqm h ALA 27 CO 0.31 0.02 -2.35 -2.67 0.00 0.00 0.00 179.25 174.55 1rqm n TRP 28 N -3.18 0.00 -2.30 0.00 2.14 -1.26 -4.93 117.44 107.91 1rqm n TRP 28 Ca -0.02 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.16 1rqm n TRP 28 Cb 0.16 -0.97 -0.03 0.00 -0.81 0.00 0.00 31.31 29.66 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 5.67 -0.80 0.18 0.00 0.00 -1.26 -0.54 105.19 108.44 1rqm n GLY 30 Ca 0.14 0.22 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.10 -0.24 1.61 0.13 -1.93 -2.72 132.00 128.95 1rqm h PRO 31 Ca 0.02 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1rqm h PRO 31 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1rqm h PRO 31 CO -0.10 0.53 -0.28 0.00 -0.23 0.00 0.00 178.00 177.92 1rqm n ARG 33 N -4.10 0.08 -0.10 0.00 0.63 -0.05 -0.28 116.66 112.84 1rqm n ARG 33 Ca -0.01 0.41 -0.17 0.00 -0.92 0.00 0.00 57.85 57.16 1rqm n ARG 33 Cb 0.43 -1.68 -0.13 0.00 0.45 0.00 0.00 32.46 31.52 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 -1.84 0.67 0.01 -0.14 2.81 -0.68 -4.43 117.12 113.53 1rqm n MET 34 Ca 0.02 0.15 -0.17 0.00 -1.81 0.00 0.00 57.70 55.89 1rqm n MET 34 Cb 0.14 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 31.02 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 0.01 0.70 0.01 0.03 1.85 -0.56 -2.68 114.93 114.30 1rqm h MET 35 Ca -0.54 -0.62 0.02 0.00 -0.61 0.00 0.00 59.70 57.95 1rqm h MET 35 Cb 1.98 0.14 -0.03 0.00 0.43 0.00 0.00 31.60 34.13 1rqm h MET 35 CO -0.03 1.23 -0.14 0.00 -0.40 0.00 0.00 176.91 177.56 1rqm h ALA 36 N 0.58 -0.18 -0.37 0.39 0.00 -0.89 0.36 119.26 119.16 1rqm h ALA 36 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1rqm h ALA 36 Cb 1.47 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1rqm h ALA 36 CO 0.17 -0.64 0.05 -1.00 0.00 0.00 0.00 179.25 177.82 1rqm h PRO 37 N -0.25 0.55 -0.11 0.00 0.13 -1.77 0.79 132.00 131.34 1rqm h PRO 37 Ca 0.05 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1rqm h PRO 37 Cb 0.30 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1rqm h PRO 37 CO -0.13 0.54 -0.10 0.28 -0.23 0.00 0.00 178.00 178.36 1rqm h VAL 38 N 0.54 1.14 0.00 1.56 2.07 -0.91 -2.04 116.25 118.61 1rqm h VAL 38 Ca 0.12 -0.61 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 1rqm h VAL 38 Cb 0.27 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1rqm h VAL 38 CO 0.00 0.19 -0.60 -0.07 0.02 0.00 0.00 177.57 177.11 1rqm h LEU 39 N 0.16 0.00 -0.43 2.57 4.07 0.42 -2.12 115.31 119.98 1rqm h LEU 39 Ca 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1rqm h LEU 39 Cb 0.28 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1rqm h LEU 39 CO 0.02 0.60 0.14 -0.08 -1.08 0.00 0.00 178.44 178.04 1rqm h GLU 40 N 0.00 0.66 -0.36 1.13 4.57 -0.19 0.28 114.58 120.69 1rqm h GLU 40 Ca -0.01 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1rqm h GLU 40 Cb 1.44 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 1rqm h GLU 40 CO 0.08 0.64 0.15 0.93 -1.18 0.00 0.00 179.01 179.63 1rqm h GLU 41 N 0.56 0.53 -0.86 1.92 5.08 -1.44 -2.54 114.58 117.82 1rqm h GLU 41 Ca 0.14 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1rqm h GLU 41 Cb 0.24 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1rqm h GLU 41 CO -0.01 0.51 0.56 0.35 -1.00 0.00 0.00 179.01 179.43 1rqm h PHE 42 N 0.43 1.03 0.33 4.33 3.04 -1.08 -1.45 116.94 123.57 1rqm h PHE 42 Ca 0.12 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1rqm h PHE 42 Cb 0.18 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1rqm h PHE 42 CO -0.00 0.59 -0.23 0.00 -2.02 0.00 0.00 178.31 176.65 1rqm h ALA 43 N 1.50 -0.54 -0.22 2.41 0.00 -0.15 -2.60 119.26 119.65 1rqm h ALA 43 Ca 0.34 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1rqm h ALA 43 Cb 0.04 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1rqm h ALA 43 CO -0.10 -0.82 -0.15 1.49 0.00 0.00 0.00 179.25 179.66 1rqm h GLU 44 N -0.55 -0.14 0.00 0.00 4.22 -1.20 -0.47 114.58 116.44 1rqm h GLU 44 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1rqm h GLU 44 Cb 0.47 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1rqm h GLU 44 CO 0.01 -0.09 0.00 0.00 -2.18 0.00 0.00 179.01 176.75 1rqm n ALA 45 N -2.64 1.09 -1.56 2.92 0.00 -0.57 -1.79 120.51 117.97 1rqm n ALA 45 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.52 1rqm n ALA 45 Cb 0.23 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1rqm n ALA 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rqm n HIS 46 N -1.81 0.00 0.30 0.00 8.25 -0.97 -5.01 115.22 115.98 1rqm n HIS 46 Ca -0.00 -0.17 0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1rqm n HIS 46 Cb 0.04 -0.05 0.65 0.00 1.12 0.00 0.00 29.99 31.75 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 1.56 0.00 -1.41 0.00 -0.28 -0.72 119.26 118.41 1rqm h ALA 47 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 47 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rqm h ALA 47 CO 0.00 -0.52 0.00 -3.47 0.00 0.00 0.00 179.25 175.26 1rqm n ASP 48 N -2.90 0.57 0.16 0.00 2.03 -1.26 -0.16 116.55 114.99 1rqm n ASP 48 Ca -0.00 -1.26 0.06 0.00 0.52 0.00 0.00 54.79 54.11 1rqm n ASP 48 Cb 0.54 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.00 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 -5.10 -0.67 3.64 -1.52 -3.40 116.57 109.53 1rqm h LYS 49 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 1rqm h LYS 49 Cb 0.75 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.44 1rqm h LYS 49 CO 0.00 0.32 -0.54 0.14 -2.27 0.00 0.00 179.45 177.10 1rqm s VAL 50 N -3.05 0.80 -0.64 2.00 -7.23 -1.10 -4.77 120.40 106.42 1rqm s VAL 50 Ca 0.04 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1rqm s VAL 50 Cb 0.07 -2.44 0.16 0.00 0.56 0.00 0.00 36.38 34.73 1rqm s VAL 50 CO 0.73 0.00 0.44 -0.89 -0.31 0.00 0.00 175.10 175.07 1rqm s THR 51 N -3.20 3.41 0.40 5.32 2.01 0.48 -0.21 115.64 123.85 1rqm s THR 51 Ca 0.25 -3.31 -0.21 0.00 0.31 0.00 0.00 61.69 58.73 1rqm s THR 51 Cb 0.04 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.21 1rqm s THR 51 CO 0.14 -0.90 0.92 -0.69 -0.69 0.00 0.00 174.62 173.40 1rqm s VAL 52 N -0.43 4.41 0.22 3.82 1.01 -0.63 -0.53 120.40 128.27 1rqm s VAL 52 Ca 0.19 1.46 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 1rqm s VAL 52 Cb -0.19 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1rqm s VAL 52 CO -0.05 -0.24 0.51 0.00 0.00 0.00 0.00 175.10 175.32 1rqm s ALA 53 N -2.08 -0.62 0.05 5.51 0.00 0.65 -1.13 121.76 124.13 1rqm s ALA 53 Ca 0.59 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1rqm s ALA 53 Cb -0.10 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1rqm s ALA 53 CO 0.15 -0.84 -0.10 -1.59 0.00 0.00 0.00 175.76 173.37 1rqm s LYS 54 N -3.94 0.64 0.10 0.00 -2.85 -1.24 -0.46 119.74 111.97 1rqm s LYS 54 Ca 0.15 -0.83 -0.19 0.00 -1.00 0.00 0.00 55.97 54.10 1rqm s LYS 54 Cb -0.01 -0.48 0.04 0.00 -2.06 0.00 0.00 37.83 35.32 1rqm s LYS 54 CO 0.03 0.10 0.45 -0.48 0.10 0.00 0.00 175.35 175.55 1rqm s LEU 55 N -1.65 0.19 -0.57 2.77 2.34 -0.09 -1.16 118.68 120.50 1rqm s LEU 55 Ca -0.07 -0.11 -0.24 0.00 0.06 0.00 0.00 54.13 53.77 1rqm s LEU 55 Cb -0.10 1.97 0.04 0.00 -0.56 0.00 0.00 46.19 47.55 1rqm s LEU 55 CO 0.01 -0.80 0.96 0.21 -1.06 0.00 0.00 176.35 175.67 1rqm s ASN 56 N -2.46 6.32 0.42 1.48 2.47 -1.26 -2.04 114.94 119.86 1rqm s ASN 56 Ca -0.01 -0.42 0.20 0.00 0.42 0.00 0.00 52.86 53.05 1rqm s ASN 56 Cb 0.00 -2.44 1.15 0.00 -1.45 0.00 0.00 41.25 38.51 1rqm s ASN 56 CO -0.08 -1.28 1.79 1.62 -3.72 0.00 0.00 177.10 175.42 1rqm h VAL 57 N 6.02 0.53 -0.86 -5.21 3.04 -1.04 0.50 116.25 119.23 1rqm h VAL 57 Ca -0.26 -0.12 0.12 0.00 -1.01 0.00 0.00 66.70 65.42 1rqm h VAL 57 Cb 1.07 0.15 -0.06 0.00 -2.01 0.00 0.00 31.29 30.43 1rqm h VAL 57 CO 1.11 0.06 0.56 -0.78 -1.01 0.00 0.00 177.57 177.51 1rqm h ASP 58 N 0.35 0.69 0.69 3.17 3.58 -1.92 -1.48 116.42 121.50 1rqm h ASP 58 Ca 0.58 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 58.04 1rqm h ASP 58 Cb 1.54 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.48 1rqm h ASP 58 CO -0.25 0.38 -0.08 1.05 -2.88 0.00 0.00 179.24 177.46 1rqm h GLU 59 N 0.75 0.00 -3.23 0.28 4.11 -1.30 -3.37 114.58 111.82 1rqm h GLU 59 Ca 0.42 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 59.20 1rqm h GLU 59 Cb 0.57 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.42 1rqm h GLU 59 CO -0.18 0.08 -0.45 1.21 0.07 0.00 0.00 179.01 179.75 1rqm s ASN 60 N -5.85 5.07 0.15 3.06 3.84 -0.56 -4.37 114.94 116.28 1rqm s ASN 60 Ca -0.01 -3.61 0.05 0.00 0.21 0.00 0.00 52.86 49.51 1rqm s ASN 60 Cb 0.11 -1.72 -0.07 0.00 -0.55 0.00 0.00 41.25 39.01 1rqm s ASN 60 CO 0.56 -0.16 1.35 1.55 -2.79 0.00 0.00 177.10 177.61 1rqm h PRO 61 N 5.86 0.08 -6.93 0.43 0.13 -1.74 -3.40 132.00 126.42 1rqm h PRO 61 Ca 0.10 -0.10 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1rqm h PRO 61 Cb 0.81 0.03 0.09 0.00 0.13 0.00 0.00 31.00 32.06 1rqm h PRO 61 CO 0.75 0.94 0.69 -1.83 -0.23 0.00 0.00 178.00 178.32 1rqm s GLU 62 N -2.98 4.12 0.00 0.86 4.04 -1.26 -0.85 118.70 122.63 1rqm s GLU 62 Ca -0.01 2.36 0.00 0.00 0.04 0.00 0.00 54.97 57.36 1rqm s GLU 62 Cb 0.10 -2.93 0.00 0.00 0.02 0.00 0.00 34.13 31.32 1rqm s GLU 62 CO 0.82 -0.44 0.00 2.41 -1.84 0.00 0.00 175.26 176.21 1rqm n THR 63 N 0.44 0.00 0.26 1.83 -1.04 -1.26 -4.50 114.28 110.01 1rqm n THR 63 Ca 0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.88 1rqm n THR 63 Cb 0.41 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.44 0.00 12.58 2.02 -1.77 -0.11 112.91 126.07 1rqm h THR 64 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1rqm h THR 64 Cb 0.00 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1rqm h THR 64 CO 0.00 0.05 0.00 -0.24 0.37 0.00 0.00 175.52 175.70 1rqm n SER 65 N -5.28 0.25 -0.06 4.18 2.88 -0.03 -1.15 113.62 114.41 1rqm n SER 65 Ca -0.11 0.57 -0.07 0.00 -1.33 0.00 0.00 58.87 57.93 1rqm n SER 65 Cb 0.31 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 1rqm n SER 65 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1rqm h GLN 66 N 0.00 -0.00 -0.33 -1.46 -0.00 -1.74 -3.39 115.11 108.19 1rqm h GLN 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1rqm h GLN 66 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.75 1rqm h GLN 66 CO 0.00 0.48 0.00 0.34 0.00 0.00 0.00 178.83 179.65 1rqm n PHE 67 N -4.70 0.41 -1.54 3.99 7.35 -0.07 -4.87 117.46 118.04 1rqm n PHE 67 Ca -0.05 -0.20 -0.02 0.00 -0.76 0.00 0.00 57.45 56.43 1rqm n PHE 67 Cb 0.23 -0.02 -0.00 0.00 0.35 0.00 0.00 39.48 40.04 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rqm n GLY 68 N 0.90 0.41 3.47 7.13 0.00 -0.86 -4.94 105.19 111.30 1rqm n GLY 68 Ca 0.10 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.47 4.03 0.22 -0.61 2.08 -0.30 -4.33 119.36 116.97 1rqm n ILE 69 Ca -0.02 -4.25 0.02 0.00 0.56 0.00 0.00 62.75 59.06 1rqm n ILE 69 Cb 0.28 -2.40 -0.01 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 7.23 3.39 -0.25 0.38 1.56 -1.26 -4.82 117.12 123.35 1rqm n MET 70 Ca 0.45 -0.29 -0.02 0.00 -0.27 0.00 0.00 57.70 57.57 1rqm n MET 70 Cb 0.44 -0.86 0.07 0.00 2.15 0.00 0.00 33.22 35.03 1rqm n MET 70 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1rqm n SER 71 N -0.60 2.60 -4.77 6.12 3.41 -1.26 -4.97 113.62 114.15 1rqm n SER 71 Ca 0.02 -2.29 -0.33 0.00 -0.26 0.00 0.00 58.87 56.01 1rqm n SER 71 Cb 0.09 -0.56 0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1rqm s ILE 72 N -1.13 3.25 0.15 -1.33 -0.00 -1.26 -4.23 121.20 116.64 1rqm s ILE 72 Ca 0.13 0.56 -0.31 0.00 -0.00 0.00 0.00 60.65 61.03 1rqm s ILE 72 Cb 0.11 -3.08 -0.09 0.00 -0.00 0.00 0.00 42.46 39.39 1rqm s ILE 72 CO 0.03 -0.38 1.49 -2.16 -0.00 0.00 0.00 174.94 173.92 1rqm s PRO 73 N -4.16 4.26 0.02 0.37 0.04 -1.26 -4.72 135.00 129.55 1rqm s PRO 73 Ca 0.66 2.23 0.08 0.00 0.04 0.00 0.00 61.00 64.02 1rqm s PRO 73 Cb -0.20 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1rqm s PRO 73 CO 0.43 -0.53 -0.24 0.99 0.04 0.00 0.00 177.00 177.69 1rqm s THR 74 N 1.08 2.31 -0.32 1.26 2.01 -0.84 -0.60 115.64 120.53 1rqm s THR 74 Ca 0.67 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1rqm s THR 74 Cb -0.41 -1.89 0.10 0.00 0.01 0.00 0.00 72.50 70.31 1rqm s THR 74 CO 0.31 0.43 0.06 -0.22 -0.69 0.00 0.00 174.62 174.51 1rqm s LEU 75 N -1.09 3.83 -0.00 4.42 0.20 0.12 -0.76 118.68 125.40 1rqm s LEU 75 Ca 0.12 -1.94 -0.07 0.00 0.69 0.00 0.00 54.13 52.93 1rqm s LEU 75 Cb -0.10 -1.36 -0.05 0.00 -0.43 0.00 0.00 46.19 44.25 1rqm s LEU 75 CO 0.02 -0.38 0.26 -0.63 -0.29 0.00 0.00 176.35 175.32 1rqm s ILE 76 N 1.16 5.32 -0.17 6.68 1.01 -1.09 -0.18 121.20 133.92 1rqm s ILE 76 Ca 0.10 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 1rqm s ILE 76 Cb -0.18 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1rqm s ILE 76 CO -0.14 0.39 -0.07 -0.22 0.00 0.00 0.00 174.94 174.90 1rqm s LEU 77 N -1.70 2.93 0.30 2.97 0.20 0.01 -0.68 118.68 122.71 1rqm s LEU 77 Ca 0.27 -0.30 0.11 0.00 0.69 0.00 0.00 54.13 54.89 1rqm s LEU 77 Cb -0.13 -1.71 -0.05 0.00 -0.43 0.00 0.00 46.19 43.87 1rqm s LEU 77 CO 0.15 0.09 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.80 1rqm s PHE 78 N 0.83 2.38 -0.13 5.38 0.08 0.85 -1.39 117.98 125.97 1rqm s PHE 78 Ca -0.02 -0.37 -0.29 0.00 0.12 0.00 0.00 56.93 56.37 1rqm s PHE 78 Cb -0.15 -1.15 0.09 0.00 -0.57 0.00 0.00 43.02 41.24 1rqm s PHE 78 CO 0.01 0.66 0.79 -1.59 -0.10 0.00 0.00 175.22 174.98 1rqm s LYS 79 N -3.57 0.87 -2.04 0.44 -2.85 -0.30 -1.56 119.74 110.73 1rqm s LYS 79 Ca 0.31 0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.68 1rqm s LYS 79 Cb -0.03 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1rqm s LYS 79 CO 0.16 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.79 1rqm n GLY 80 N 1.31 1.76 2.60 0.59 0.00 0.47 -0.44 105.19 111.49 1rqm n GLY 80 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.38 2.59 3.68 -0.02 0.00 0.57 -4.84 105.19 106.79 1rqm n GLY 81 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.14 4.35 -0.83 1.61 2.12 0.42 -4.98 118.70 121.25 1rqm s GLU 82 Ca 0.00 1.07 -0.25 0.00 0.36 0.00 0.00 54.97 56.15 1rqm s GLU 82 Cb 0.00 -3.54 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 1rqm s GLU 82 CO 0.00 -0.25 1.66 -1.25 -0.54 0.00 0.00 175.26 174.88 1rqm s PRO 83 N 1.86 2.97 0.31 4.30 0.04 -1.26 -1.15 135.00 142.07 1rqm s PRO 83 Ca 0.40 -0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.17 1rqm s PRO 83 Cb -0.17 -4.79 0.50 0.00 0.04 0.00 0.00 34.50 30.08 1rqm s PRO 83 CO 0.15 -2.67 1.96 -0.39 0.04 0.00 0.00 177.00 176.08 1rqm h VAL 84 N 6.80 1.20 -2.37 -0.36 -1.51 -1.57 -3.46 116.25 114.97 1rqm h VAL 84 Ca -0.04 -0.44 0.13 0.00 -1.23 0.00 0.00 66.70 65.12 1rqm h VAL 84 Cb 1.05 0.21 -0.11 0.00 -2.13 0.00 0.00 31.29 30.31 1rqm h VAL 84 CO 1.28 0.21 0.46 -1.59 -1.23 0.00 0.00 177.57 176.70 1rqm s LYS 85 N -5.72 1.06 0.06 5.19 -2.85 -1.18 -5.05 119.74 111.24 1rqm s LYS 85 Ca -0.11 -0.50 -0.06 0.00 -1.00 0.00 0.00 55.97 54.30 1rqm s LYS 85 Cb 0.17 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 36.34 1rqm s LYS 85 CO 0.78 -0.47 0.10 1.14 0.10 0.00 0.00 175.35 177.00 1rqm s GLN 86 N -3.26 0.70 0.15 1.78 0.00 -1.26 -0.81 119.66 116.96 1rqm s GLN 86 Ca 0.08 -0.96 0.06 0.00 -0.00 0.00 0.00 55.36 54.54 1rqm s GLN 86 Cb -0.01 0.27 -0.04 0.00 0.00 0.00 0.00 33.01 33.23 1rqm s GLN 86 CO -0.03 -0.19 0.06 -0.51 0.00 0.00 0.00 175.29 174.61 1rqm s LEU 87 N -2.64 3.56 -0.00 2.60 2.01 0.74 -4.98 118.68 119.97 1rqm s LEU 87 Ca 0.02 -0.22 0.01 0.00 0.01 0.00 0.00 54.13 53.95 1rqm s LEU 87 Cb 0.04 -2.22 -0.00 0.00 0.01 0.00 0.00 46.19 44.02 1rqm s LEU 87 CO -0.09 0.11 -0.04 0.27 1.01 0.00 0.00 176.35 177.61 1rqm s ILE 88 N -1.62 0.30 0.26 -0.59 -0.00 -1.26 -0.70 121.20 117.59 1rqm s ILE 88 Ca 0.28 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.74 1rqm s ILE 88 Cb -0.10 -0.26 0.00 0.00 -0.00 0.00 0.00 42.46 42.09 1rqm s ILE 88 CO 0.21 0.07 0.00 0.61 -0.00 0.00 0.00 174.94 175.82 1rqm n GLY 89 N 2.93 -2.60 3.55 6.27 0.00 0.23 -4.69 105.19 110.89 1rqm n GLY 89 Ca -0.13 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.06 1.29 -0.11 1.61 6.14 -1.26 -4.89 117.35 117.07 1rqm s TYR 90 Ca 0.00 1.39 -0.16 0.00 0.64 0.00 0.00 57.07 58.93 1rqm s TYR 90 Cb 0.00 -3.71 -0.05 0.00 0.42 0.00 0.00 41.96 38.62 1rqm s TYR 90 CO 0.00 -2.20 0.41 -0.65 0.64 0.00 0.00 175.55 173.75 1rqm s GLN 91 N 7.99 4.24 0.85 4.97 -1.52 -1.26 -5.10 119.66 129.84 1rqm s GLN 91 Ca 0.87 0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 54.51 1rqm s GLN 91 Cb -0.14 -3.39 0.10 0.00 -0.22 0.00 0.00 33.01 29.36 1rqm s GLN 91 CO 0.18 0.28 1.10 -1.25 -0.25 0.00 0.00 175.29 175.35 1rqm s PRO 92 N 0.28 1.59 0.28 2.91 0.04 -1.26 -4.60 135.00 134.24 1rqm s PRO 92 Ca 0.23 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1rqm s PRO 92 Cb -0.15 -1.82 0.58 0.00 0.04 0.00 0.00 34.50 33.15 1rqm s PRO 92 CO 0.09 -2.10 1.82 0.87 0.04 0.00 0.00 177.00 177.73 1rqm h LYS 93 N -1.46 0.92 -0.01 4.56 6.56 -1.97 0.16 116.57 125.33 1rqm h LYS 93 Ca -0.46 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 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 0.50 0.61 0.01 1.49 -2.06 0.00 0.00 179.45 180.00 1rqm h GLU 94 N 0.94 0.00 0.03 3.15 4.81 -1.98 0.18 114.58 121.71 1rqm h GLU 94 Ca 0.51 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.36 1rqm h GLU 94 Cb 0.56 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1rqm h GLU 94 CO -0.29 0.00 -2.18 0.94 -0.73 0.00 0.00 179.01 176.75 1rqm n GLN 95 N -3.77 0.65 0.01 1.92 -0.06 0.34 -3.41 117.38 113.06 1rqm n GLN 95 Ca -0.03 0.27 -0.04 0.00 -2.00 0.00 0.00 57.00 55.21 1rqm n GLN 95 Cb 0.09 -1.60 -0.02 0.00 -4.06 0.00 0.00 30.24 24.65 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 -0.39 -0.41 -1.11 1.69 7.12 -0.72 0.12 115.31 121.62 1rqm h LEU 96 Ca -0.54 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 57.50 1rqm h LEU 96 Cb 1.77 0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 42.02 1rqm h LEU 96 CO -0.15 -0.13 0.38 -0.08 -0.13 0.00 0.00 178.44 178.33 1rqm h GLU 97 N -0.16 1.00 -0.61 1.25 4.22 -0.87 -2.12 114.58 117.29 1rqm h GLU 97 Ca 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.30 1rqm h GLU 97 Cb 0.17 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1rqm h GLU 97 CO -0.09 0.75 0.29 0.00 -2.18 0.00 0.00 179.01 177.78 1rqm h ALA 98 N 1.41 0.79 0.00 2.92 0.00 -1.48 0.45 119.26 123.35 1rqm h ALA 98 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rqm h ALA 98 Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1rqm h ALA 98 CO -0.04 0.35 -0.03 0.37 0.00 0.00 0.00 179.25 179.91 1rqm h GLN 99 N 0.84 0.00 0.00 0.00 -0.00 -0.38 -3.23 115.11 112.34 1rqm h GLN 99 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.86 1rqm h GLN 99 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.60 1rqm h GLN 99 CO -0.03 0.03 -0.73 -0.11 0.00 0.00 0.00 178.83 177.99 1rqm n LEU 100 N -3.14 0.69 0.00 -2.39 7.94 -0.42 -4.65 117.00 115.03 1rqm n LEU 100 Ca 0.00 -0.49 0.02 0.00 -1.11 0.00 0.00 56.01 54.44 1rqm n LEU 100 Cb 0.30 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.37 1rqm n LEU 100 CO 0.27 0.17 0.52 0.00 -1.11 0.00 0.00 177.39 177.25 1rqm n ALA 101 N -1.37 1.34 0.72 1.96 0.00 0.15 -1.03 120.51 122.29 1rqm n ALA 101 Ca 0.03 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1rqm n ALA 101 Cb 0.24 -1.08 0.33 0.00 0.00 0.00 0.00 19.45 18.94 1rqm n ALA 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rqm n ASP 102 N -1.37 0.59 -0.00 0.00 5.75 -1.26 -1.72 116.55 118.54 1rqm n ASP 102 Ca 0.02 0.27 0.01 0.00 -0.01 0.00 0.00 54.79 55.09 1rqm n ASP 102 Cb 0.05 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 39.88 1rqm n ASP 102 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1rqm n VAL 103 N -1.97 0.00 1.35 2.12 3.14 -0.20 -4.31 118.33 118.46 1rqm n VAL 103 Ca 0.05 -0.21 0.14 0.00 -2.96 0.00 0.00 64.34 61.37 1rqm n VAL 103 Cb 0.40 0.65 0.67 0.00 -1.06 0.00 0.00 33.84 34.50 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 -1.40 0.19 0.00 6.55 7.99 -0.77 -4.97 117.00 124.59 1rqm n LEU 104 Ca -0.00 0.20 0.08 0.00 -0.01 0.00 0.00 56.01 56.28 1rqm n LEU 104 Cb 0.07 -0.27 0.49 0.00 -0.11 0.00 0.00 43.42 43.60 1rqm n LEU 104 CO 0.06 0.04 0.70 0.00 -1.51 0.00 0.00 177.39 176.68