#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2o s SER 2 N 0.00 4.54 1.05 1.61 1.04 -1.26 -5.03 113.70 115.65 1j2o s SER 2 Ca 0.00 2.10 -0.14 0.00 0.48 0.00 0.00 55.95 58.40 1j2o s SER 2 Cb 0.00 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.75 1j2o s SER 2 CO 0.00 -2.02 0.99 0.18 0.98 0.00 0.00 173.24 173.38 1j2o n LEU 3 N -2.82 0.00 -4.76 2.42 4.77 -1.26 -5.08 117.00 110.27 1j2o n LEU 3 Ca 0.11 -1.08 -0.23 0.00 -0.03 0.00 0.00 56.01 54.78 1j2o n LEU 3 Cb 0.52 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1j2o n LEU 3 CO 0.49 -1.41 -0.23 -0.76 -1.33 0.00 0.00 177.39 174.14 1j2o s LEU 4 N 0.00 3.59 -0.10 2.23 1.43 -1.26 -5.00 118.68 119.58 1j2o s LEU 4 Ca 0.58 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1j2o s LEU 4 Cb -0.03 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1j2o s LEU 4 CO 0.42 -0.00 -0.17 0.42 0.23 0.00 0.00 176.35 177.24 1j2o s THR 5 N -2.10 1.57 0.19 5.49 -4.23 -1.26 0.38 115.64 115.68 1j2o s THR 5 Ca 0.32 -0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 1j2o s THR 5 Cb -0.08 -1.41 -0.08 0.00 1.34 0.00 0.00 72.50 72.28 1j2o s THR 5 CO 0.23 0.45 0.95 0.00 -0.54 0.00 0.00 174.62 175.71 1j2o n GLY 7 N 1.76 -1.31 0.07 0.00 0.00 0.48 -1.10 105.19 105.09 1j2o n GLY 7 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1j2o n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j2o h GLY 8 N 4.67 0.00 0.00 -0.02 0.00 -1.92 -3.42 103.07 102.38 1j2o h GLY 8 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1j2o h GLY 8 CO 0.00 0.00 -1.50 0.00 0.00 0.00 0.00 176.54 175.04 1j2o n GLN 10 N -2.10 -1.01 -0.09 0.00 1.13 -0.25 -4.88 117.38 110.17 1j2o n GLN 10 Ca -0.09 0.87 0.06 0.00 -1.94 0.00 0.00 57.00 55.90 1j2o n GLN 10 Cb 0.55 -5.02 0.23 0.00 0.11 0.00 0.00 30.24 26.11 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j2o n GLN 11 N -2.50 1.50 -0.49 -1.09 10.64 -1.26 -4.83 117.38 119.34 1j2o n GLN 11 Ca -0.15 -0.76 0.00 0.00 -1.83 0.00 0.00 57.00 54.26 1j2o n GLN 11 Cb 0.52 -1.24 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 1j2o n GLN 11 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1j2o n ASN 12 N 0.06 -3.68 -4.42 2.61 5.15 -1.26 -4.88 115.26 108.84 1j2o n ASN 12 Ca 0.11 0.37 -0.44 0.00 -0.60 0.00 0.00 54.58 54.02 1j2o n ASN 12 Cb 0.21 -0.70 -0.05 0.00 -0.53 0.00 0.00 39.78 38.71 1j2o n ASN 12 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1j2o s ILE 13 N -1.83 4.76 -0.20 -1.44 1.01 0.16 -4.83 121.20 118.83 1j2o s ILE 13 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 60.65 60.17 1j2o s ILE 13 Cb 0.00 -4.43 0.31 0.00 0.01 0.00 0.00 42.46 38.35 1j2o s ILE 13 CO 0.00 -1.03 1.21 0.61 0.00 0.00 0.00 174.94 175.74 1j2o n GLY 14 N 5.23 4.14 1.56 6.18 0.00 -1.26 -4.04 105.19 117.00 1j2o n GLY 14 Ca -0.07 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1j2o n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2o n ASP 15 N -0.84 -0.27 -0.01 1.61 8.00 -1.26 -4.86 116.55 118.91 1j2o n ASP 15 Ca 0.14 -1.11 -0.00 0.00 0.71 0.00 0.00 54.79 54.53 1j2o n ASP 15 Cb 0.63 -0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.18 1j2o n ASP 15 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1j2o n ARG 16 N -2.32 0.65 -4.23 -1.24 1.85 -1.26 -4.23 116.66 105.88 1j2o n ARG 16 Ca 0.07 0.06 -0.17 0.00 -1.00 0.00 0.00 57.85 56.81 1j2o n ARG 16 Cb 0.24 -1.66 -0.13 0.00 -1.05 0.00 0.00 32.46 29.86 1j2o n ARG 16 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1j2o s TYR 17 N -2.93 0.94 0.33 2.89 5.04 -1.26 -1.25 117.35 121.10 1j2o s TYR 17 Ca -0.06 -0.35 -0.12 0.00 -2.44 0.00 0.00 57.07 54.10 1j2o s TYR 17 Cb 0.09 -0.56 0.02 0.00 0.35 0.00 0.00 41.96 41.86 1j2o s TYR 17 CO 0.84 -0.00 0.62 -0.59 -1.34 0.00 0.00 175.55 175.07 1j2o s PHE 18 N -0.89 0.43 -0.01 4.97 -0.71 -0.72 -4.66 117.98 116.39 1j2o s PHE 18 Ca -0.02 -0.87 0.06 0.00 -1.04 0.00 0.00 56.93 55.06 1j2o s PHE 18 Cb -0.07 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 42.12 1j2o s PHE 18 CO 0.01 -1.28 -0.19 -0.51 -1.34 0.00 0.00 175.22 171.91 1j2o s LEU 19 N -3.09 2.06 -0.17 -1.99 1.43 -1.24 -0.62 118.68 115.05 1j2o s LEU 19 Ca 0.21 -0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 1j2o s LEU 19 Cb -0.03 -0.97 0.09 0.00 0.03 0.00 0.00 46.19 45.31 1j2o s LEU 19 CO 0.13 0.22 0.79 -1.59 0.23 0.00 0.00 176.35 176.13 1j2o s LYS 20 N -0.56 0.84 0.00 1.70 0.00 -1.24 0.01 119.74 120.48 1j2o s LYS 20 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.58 1j2o s LYS 20 Cb -0.08 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.16 1j2o s LYS 20 CO -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 175.35 175.15 1j2o n ALA 21 N 1.67 0.00 -0.25 0.59 0.00 -1.22 -3.96 120.51 117.34 1j2o n ALA 21 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1j2o n ALA 21 Cb 0.56 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.15 1j2o n ALA 21 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j2o h ILE 22 N 0.00 0.34 0.00 0.00 2.04 -1.90 -3.43 117.51 114.56 1j2o h ILE 22 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1j2o h ILE 22 Cb 0.00 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1j2o h ILE 22 CO 0.00 0.01 0.00 -0.67 0.00 0.00 0.00 178.15 177.49 1j2o n ASP 23 N -5.37 0.00 -3.74 1.72 2.03 -1.26 -5.06 116.55 104.87 1j2o n ASP 23 Ca 0.12 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.24 1j2o n ASP 23 Cb 0.45 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.76 1j2o n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o s GLN 24 N 0.00 1.68 0.34 -0.67 0.00 -1.26 -5.16 119.66 114.59 1j2o s GLN 24 Ca 0.00 -1.97 -0.09 0.00 -0.00 0.00 0.00 55.36 53.30 1j2o s GLN 24 Cb 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 33.01 33.00 1j2o s GLN 24 CO 0.00 -0.54 0.67 0.71 0.00 0.00 0.00 175.29 176.13 1j2o s TYR 25 N -3.53 3.46 0.00 9.60 2.02 -1.26 -3.39 117.35 124.25 1j2o s TYR 25 Ca 0.36 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.98 1j2o s TYR 25 Cb 0.04 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 1j2o s TYR 25 CO 0.21 0.04 0.00 0.91 -1.57 0.00 0.00 175.55 175.14 1j2o n TRP 26 N -0.97 0.00 -4.39 2.71 7.02 0.10 -0.39 117.44 121.53 1j2o n TRP 26 Ca 0.01 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.23 1j2o n TRP 26 Cb 0.54 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.33 1j2o n TRP 26 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1j2o s HIS 27 N -1.27 2.56 0.20 -5.99 3.76 -1.25 -3.72 115.29 109.58 1j2o s HIS 27 Ca 0.00 -0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 54.23 1j2o s HIS 27 Cb 0.00 -1.86 0.14 0.00 1.11 0.00 0.00 32.58 31.97 1j2o s HIS 27 CO 0.00 0.33 1.61 0.93 -0.85 0.00 0.00 174.74 176.75 1j2o h GLU 28 N 1.61 0.82 0.00 1.40 4.39 -1.88 -2.87 114.58 118.05 1j2o h GLU 28 Ca -0.43 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 58.92 1j2o h GLU 28 Cb 1.25 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1j2o h GLU 28 CO 0.76 0.97 -1.56 -0.40 -1.16 0.00 0.00 179.01 177.61 1j2o n ASP 29 N -4.10 0.60 -0.03 1.42 5.75 -1.26 -3.57 116.55 115.36 1j2o n ASP 29 Ca -0.00 -0.33 -0.13 0.00 -0.01 0.00 0.00 54.79 54.31 1j2o n ASP 29 Cb 0.45 1.60 -0.10 0.00 -1.03 0.00 0.00 41.12 42.03 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j2o n LEU 31 N -4.73 2.05 -3.82 0.00 0.00 -1.08 -4.90 117.00 104.52 1j2o n LEU 31 Ca -0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 56.01 55.69 1j2o n LEU 31 Cb 0.34 -1.41 -0.06 0.00 0.00 0.00 0.00 43.42 42.29 1j2o n LEU 31 CO 0.35 -1.17 -0.01 -0.44 0.00 0.00 0.00 177.39 176.11 1j2o s SER 32 N 10.34 0.02 0.54 1.96 0.01 -1.26 -0.26 113.70 125.05 1j2o s SER 32 Ca 1.07 -0.61 -0.21 0.00 1.31 0.00 0.00 55.95 57.51 1j2o s SER 32 Cb -0.50 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 1j2o s SER 32 CO 0.35 -0.79 1.32 0.00 0.41 0.00 0.00 173.24 174.52 1j2o h ASP 34 N 1.44 0.33 0.00 0.00 3.58 -0.91 -1.33 116.42 119.53 1j2o h ASP 34 Ca -0.51 -0.01 -0.31 0.00 0.42 0.00 0.00 57.03 56.63 1j2o h ASP 34 Cb 1.30 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.21 1j2o h ASP 34 CO 0.57 0.24 -2.09 -0.11 -2.88 0.00 0.00 179.24 174.97 1j2o n LEU 35 N -4.49 2.36 0.16 2.28 7.94 -1.26 -4.62 117.00 119.37 1j2o n LEU 35 Ca 0.02 0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.82 1j2o n LEU 35 Cb 0.09 -0.63 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 1j2o n LEU 35 CO 0.35 0.66 0.75 0.00 -1.11 0.00 0.00 177.39 178.03 1j2o n GLY 37 N -1.30 0.99 0.00 0.00 0.00 -0.50 -4.96 105.19 99.42 1j2o n GLY 37 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1j2o n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2o s ARG 39 N 0.28 0.21 0.00 0.00 3.52 -1.26 -4.85 118.95 116.85 1j2o s ARG 39 Ca 0.00 0.38 0.29 0.00 -0.13 0.00 0.00 55.73 56.26 1j2o s ARG 39 Cb 0.00 0.21 1.24 0.00 -1.56 0.00 0.00 34.95 34.84 1j2o s ARG 39 CO 0.00 -0.23 1.92 1.28 -0.81 0.00 0.00 175.30 177.47 1j2o n LEU 40 N 5.47 0.02 -0.03 -0.88 4.77 0.64 -2.28 117.00 124.71 1j2o n LEU 40 Ca -0.07 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1j2o n LEU 40 Cb 0.54 -0.47 0.66 0.00 -2.33 0.00 0.00 43.42 41.81 1j2o n LEU 40 CO -0.10 0.00 0.93 0.61 -1.33 0.00 0.00 177.39 177.51 1j2o n GLY 41 N 1.48 -1.24 0.02 -0.72 0.00 -1.23 -2.96 105.19 100.54 1j2o n GLY 41 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1j2o n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j2o n GLU 42 N -1.26 0.15 -3.40 1.61 -0.58 -0.97 -4.81 120.64 111.38 1j2o n GLU 42 Ca 0.12 0.12 -0.44 0.00 -0.42 0.00 0.00 57.16 56.54 1j2o n GLU 42 Cb 0.28 -0.82 -0.06 0.00 -0.57 0.00 0.00 31.44 30.27 1j2o n GLU 42 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1j2o s VAL 43 N -1.51 4.83 -0.48 2.62 0.11 -1.15 -4.92 120.40 119.91 1j2o s VAL 43 Ca -0.07 -1.61 0.05 0.00 -2.93 0.00 0.00 61.98 57.42 1j2o s VAL 43 Cb 0.01 -4.13 0.22 0.00 -1.53 0.00 0.00 36.38 30.96 1j2o s VAL 43 CO 0.11 -0.83 0.88 0.61 -3.33 0.00 0.00 175.10 172.53 1j2o n GLY 44 N 5.12 -0.46 0.10 6.54 0.00 -1.16 -4.41 105.19 110.93 1j2o n GLY 44 Ca -0.12 0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 1j2o n GLY 44 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j2o h ARG 45 N 4.30 0.00 0.00 1.61 0.11 -1.91 -3.46 114.38 115.03 1j2o h ARG 45 Ca -0.07 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.81 1j2o h ARG 45 Cb 1.08 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.12 1j2o h ARG 45 CO 0.14 0.37 -0.18 2.89 0.10 0.00 0.00 179.97 183.29 1j2o n ARG 46 N -2.97 0.41 -3.64 0.08 1.85 -1.26 -4.59 116.66 106.55 1j2o n ARG 46 Ca -0.08 -1.28 -0.05 0.00 -1.00 0.00 0.00 57.85 55.44 1j2o n ARG 46 Cb 0.85 0.90 -0.06 0.00 -1.05 0.00 0.00 32.46 33.09 1j2o n ARG 46 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1j2o s LEU 47 N 0.00 -0.93 -0.05 2.89 0.20 -1.26 -4.52 118.68 115.00 1j2o s LEU 47 Ca 0.12 1.44 0.05 0.00 0.69 0.00 0.00 54.13 56.43 1j2o s LEU 47 Cb 0.01 2.28 -0.01 0.00 -0.43 0.00 0.00 46.19 48.04 1j2o s LEU 47 CO 0.09 -0.22 -0.22 -0.47 -0.29 0.00 0.00 176.35 175.24 1j2o s TYR 48 N 1.87 2.15 0.05 5.38 5.04 -1.26 -1.65 117.35 128.93 1j2o s TYR 48 Ca -0.09 -0.65 -0.05 0.00 -2.44 0.00 0.00 57.07 53.84 1j2o s TYR 48 Cb -0.06 -1.43 -0.01 0.00 0.35 0.00 0.00 41.96 40.81 1j2o s TYR 48 CO -0.19 -0.21 0.09 1.52 -1.34 0.00 0.00 175.55 175.42 1j2o s TYR 49 N -0.05 0.25 0.46 4.97 1.13 -1.26 -4.21 117.35 118.64 1j2o s TYR 49 Ca -0.05 -0.63 -0.19 0.00 -1.41 0.00 0.00 57.07 54.80 1j2o s TYR 49 Cb -0.13 -0.17 -0.10 0.00 -1.10 0.00 0.00 41.96 40.46 1j2o s TYR 49 CO 0.03 -0.40 0.95 0.15 -2.51 0.00 0.00 175.55 173.77 1j2o s LYS 50 N -3.12 4.10 0.45 -3.49 1.02 0.13 -4.91 119.74 113.91 1j2o s LYS 50 Ca -0.01 1.02 0.34 0.00 0.02 0.00 0.00 55.97 57.34 1j2o s LYS 50 Cb 0.02 -2.17 1.50 0.00 -0.52 0.00 0.00 37.83 36.66 1j2o s LYS 50 CO -0.07 -0.12 1.55 1.47 -0.92 0.00 0.00 175.35 177.26 1j2o n LEU 51 N -1.03 0.19 -0.02 3.17 -0.00 -1.26 -1.15 117.00 116.90 1j2o n LEU 51 Ca 0.07 1.34 0.00 0.00 -0.00 0.00 0.00 56.01 57.42 1j2o n LEU 51 Cb 0.54 -0.66 0.01 0.00 -0.00 0.00 0.00 43.42 43.31 1j2o n LEU 51 CO 0.41 -1.45 0.40 0.61 -0.00 0.00 0.00 177.39 177.36 1j2o n GLY 52 N -1.55 0.65 3.01 1.47 0.00 -1.26 -5.03 105.19 102.48 1j2o n GLY 52 Ca 0.40 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1j2o n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j2o s ARG 53 N -0.66 0.16 -1.50 1.61 1.70 -0.30 -5.05 118.95 114.91 1j2o s ARG 53 Ca 0.02 0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 55.73 1j2o s ARG 53 Cb 0.01 -0.12 0.01 0.00 -0.57 0.00 0.00 34.95 34.28 1j2o s ARG 53 CO 0.00 -0.20 2.52 0.36 -1.08 0.00 0.00 175.30 176.90 1j2o n LYS 54 N 4.57 3.45 -4.28 3.89 2.85 -1.26 0.18 118.16 127.55 1j2o n LYS 54 Ca -0.20 -2.61 -0.24 0.00 -1.05 0.00 0.00 58.31 54.22 1j2o n LYS 54 Cb 0.52 -2.99 -0.12 0.00 -0.65 0.00 0.00 35.03 31.79 1j2o n LYS 54 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1j2o s LEU 55 N 0.71 2.30 1.21 -5.58 2.34 -1.26 -0.15 118.68 118.26 1j2o s LEU 55 Ca 0.56 -0.69 -0.18 0.00 0.06 0.00 0.00 54.13 53.89 1j2o s LEU 55 Cb 0.16 -0.86 0.29 0.00 -0.56 0.00 0.00 46.19 45.22 1j2o s LEU 55 CO -0.07 0.05 1.05 0.00 -1.06 0.00 0.00 176.35 176.32 1j2o h ARG 57 N -2.67 0.00 -0.02 0.00 9.65 -1.87 -1.66 114.38 117.81 1j2o h ARG 57 Ca -0.49 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.24 1j2o h ARG 57 Cb 1.32 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.91 1j2o h ARG 57 CO 0.40 0.70 -0.57 0.07 2.80 0.00 0.00 179.97 183.37 1j2o h ARG 58 N 0.00 0.42 -0.22 0.20 -0.00 -1.92 0.42 114.38 113.28 1j2o h ARG 58 Ca -0.01 -0.43 -0.04 0.00 -0.00 0.00 0.00 59.98 59.51 1j2o h ARG 58 Cb 1.30 0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 31.38 1j2o h ARG 58 CO 0.09 1.08 -0.00 -0.44 -0.00 0.00 0.00 179.97 180.70 1j2o h ASP 59 N -0.07 0.39 -0.86 0.08 3.32 -1.93 -2.24 116.42 115.10 1j2o h ASP 59 Ca -0.06 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 56.70 1j2o h ASP 59 Cb 1.27 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 1j2o h ASP 59 CO 0.11 0.61 0.57 0.22 -1.72 0.00 0.00 179.24 179.03 1j2o h TYR 60 N 0.16 1.05 -0.03 4.55 5.03 -1.36 -0.89 116.97 125.48 1j2o h TYR 60 Ca 0.06 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 1j2o h TYR 60 Cb 0.41 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 1j2o h TYR 60 CO 0.04 0.62 -0.08 1.25 -1.32 0.00 0.00 178.16 178.67 1j2o h LEU 61 N 1.09 0.03 0.00 2.82 7.12 -0.47 0.48 115.31 126.39 1j2o h LEU 61 Ca 0.34 -0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.31 1j2o h LEU 61 Cb 0.00 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1j2o h LEU 61 CO -0.10 0.12 -0.49 0.03 -0.13 0.00 0.00 178.44 177.87 1j2o h ARG 62 N 0.04 0.00 0.00 1.25 2.47 -0.59 -3.16 114.38 114.39 1j2o h ARG 62 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1j2o h ARG 62 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1j2o h ARG 62 CO 0.01 0.12 -0.73 1.47 0.56 0.00 0.00 179.97 181.40 1j2o n LEU 63 N -2.99 1.65 -0.06 3.04 -0.00 -0.92 -4.84 117.00 112.88 1j2o n LEU 63 Ca 0.01 0.27 -0.18 0.00 -0.00 0.00 0.00 56.01 56.11 1j2o n LEU 63 Cb 0.60 -0.64 -0.13 0.00 -0.00 0.00 0.00 43.42 43.25 1j2o n LEU 63 CO 0.38 -0.38 -1.01 0.61 -0.00 0.00 0.00 177.39 176.98 1j2o n GLY 64 N 1.90 -0.55 2.62 1.47 0.00 0.66 -4.96 105.19 106.33 1j2o n GLY 64 Ca -0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1j2o n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 65 N 2.04 -0.10 0.27 -0.02 0.00 0.14 -4.78 105.19 102.73 1j2o n GLY 65 Ca -0.36 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1j2o n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j2o h SER 66 N -0.15 0.85 -0.22 1.61 0.02 -1.88 -1.34 113.55 112.45 1j2o h SER 66 Ca -0.19 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1j2o h SER 66 Cb 0.43 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1j2o h SER 66 CO 0.26 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 1j2o n GLY 67 N -0.70 0.15 0.08 -3.77 0.00 -1.26 -3.96 105.19 95.73 1j2o n GLY 67 Ca 0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1j2o n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 68 N 0.98 -0.78 5.17 -0.02 0.00 -0.58 -4.93 105.19 105.02 1j2o n GLY 68 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1j2o n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j2o n HIS 69 N -4.48 0.00 0.14 1.61 8.25 -0.74 -2.15 115.22 117.84 1j2o n HIS 69 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 1j2o n HIS 69 Cb 0.35 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.38 1j2o n HIS 69 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1j2o h MET 70 N 0.00 -0.37 0.00 -0.41 2.86 -1.88 -3.41 114.93 111.73 1j2o h MET 70 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1j2o h MET 70 Cb 0.00 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1j2o h MET 70 CO 0.00 -0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.36 1j2o n GLY 71 N -0.07 2.12 2.99 8.32 0.00 -0.92 -1.01 105.19 116.62 1j2o n GLY 71 Ca -0.09 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1j2o n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j2o n SER 72 N 4.29 3.48 0.00 1.61 3.41 -1.05 -4.22 113.62 121.15 1j2o n SER 72 Ca 0.00 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 1j2o n SER 72 Cb 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.46 1j2o n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2o n GLY 73 N 4.47 1.38 0.00 5.00 0.00 -1.26 -1.19 105.19 113.59 1j2o n GLY 73 Ca 0.50 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.75 1j2o n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 74 N 0.00 -0.56 3.66 -0.02 0.00 -1.26 -4.83 105.19 102.18 1j2o n GLY 74 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1j2o n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j2o s ASP 75 N -3.17 6.98 -0.08 1.61 2.15 -0.34 -4.89 116.67 118.93 1j2o s ASP 75 Ca -0.01 1.61 -0.30 0.00 0.43 0.00 0.00 52.55 54.28 1j2o s ASP 75 Cb 0.10 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 1j2o s ASP 75 CO 0.61 -0.75 1.22 -0.69 -0.17 0.00 0.00 175.17 175.40 1j2o s VAL 76 N 3.44 4.26 0.84 1.11 1.01 -1.25 -2.51 120.40 127.30 1j2o s VAL 76 Ca 0.52 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.96 1j2o s VAL 76 Cb -0.20 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.27 1j2o s VAL 76 CO 0.13 -0.04 1.12 -0.04 0.00 0.00 0.00 175.10 176.27 1j2o s MET 77 N 2.55 1.64 0.00 2.72 1.00 -0.18 -4.97 119.30 122.06 1j2o s MET 77 Ca 0.56 1.38 0.00 0.00 0.00 0.00 0.00 55.69 57.62 1j2o s MET 77 Cb -0.24 -1.81 0.00 0.00 0.00 0.00 0.00 34.83 32.78 1j2o s MET 77 CO 0.20 -2.14 0.00 0.28 0.00 0.00 0.00 175.02 173.36 1j2o n VAL 78 N -3.85 0.00 0.13 -6.03 0.31 -1.26 -5.01 118.33 102.62 1j2o n VAL 78 Ca 0.11 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.48 1j2o n VAL 78 Cb 0.52 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.39 1j2o n VAL 78 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1j2o n VAL 79 N 0.00 0.00 -3.10 2.52 0.31 -1.26 -4.69 118.33 112.11 1j2o n VAL 79 Ca 0.00 -0.23 -0.35 0.00 -0.01 0.00 0.00 64.34 63.74 1j2o n VAL 79 Cb 0.00 0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 1j2o n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j2o n GLY 80 N 1.75 5.22 3.24 2.92 0.00 -1.26 -5.00 105.19 112.05 1j2o n GLY 80 Ca -0.01 -2.71 -0.39 0.00 0.00 0.00 0.00 46.02 42.91 1j2o n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j2o s GLU 81 N -2.95 2.51 0.00 1.61 4.04 -1.26 -5.07 118.70 117.58 1j2o s GLU 81 Ca 0.37 -1.48 0.00 0.00 0.04 0.00 0.00 54.97 53.90 1j2o s GLU 81 Cb 0.13 -3.70 0.00 0.00 0.02 0.00 0.00 34.13 30.58 1j2o s GLU 81 CO 0.01 -0.93 0.00 -0.35 -1.84 0.00 0.00 175.26 172.15 1j2o n PRO 82 N 4.85 3.65 -2.47 -4.83 -0.04 -1.26 -4.97 135.00 129.93 1j2o n PRO 82 Ca -0.09 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.98 1j2o n PRO 82 Cb 0.43 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.86 1j2o n PRO 82 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j2o s THR 83 N 2.52 3.91 0.81 0.52 -4.23 -1.26 -4.96 115.64 112.95 1j2o s THR 83 Ca 0.00 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.24 1j2o s THR 83 Cb 0.00 -4.96 0.09 0.00 1.34 0.00 0.00 72.50 68.97 1j2o s THR 83 CO 0.00 -1.79 1.20 0.18 -0.54 0.00 0.00 174.62 173.67 1j2o n LEU 84 N 9.71 4.37 -0.32 4.79 4.77 -1.26 -4.92 117.00 134.14 1j2o n LEU 84 Ca 0.40 0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 56.92 1j2o n LEU 84 Cb 0.48 -1.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.14 1j2o n LEU 84 CO 0.69 -1.72 1.12 -0.03 -1.33 0.00 0.00 177.39 176.12 1j2o h MET 85 N -0.96 1.24 0.00 3.23 4.05 -2.03 -3.43 114.93 117.03 1j2o h MET 85 Ca -0.46 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 58.78 1j2o h MET 85 Cb 1.30 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1j2o h MET 85 CO 0.46 0.95 0.00 0.41 0.23 0.00 0.00 176.91 178.95 1j2o n GLY 86 N -1.01 1.14 3.62 1.39 0.00 -1.26 -4.88 105.19 104.18 1j2o n GLY 86 Ca 0.09 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 1j2o n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 87 N 5.00 -0.75 3.57 -0.02 0.00 -1.26 -4.84 105.19 106.89 1j2o n GLY 87 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1j2o n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j2o s GLU 88 N -5.71 3.78 0.83 1.61 0.41 -1.26 -4.78 118.70 113.57 1j2o s GLU 88 Ca 0.29 -1.64 -0.11 0.00 -0.41 0.00 0.00 54.97 53.10 1j2o s GLU 88 Cb -0.08 -5.46 0.09 0.00 -1.78 0.00 0.00 34.13 26.90 1j2o s GLU 88 CO 0.82 -2.31 1.12 -0.06 -0.49 0.00 0.00 175.26 174.34 1j2o s PHE 89 N 4.80 2.13 0.00 1.61 0.08 -1.26 -5.00 117.98 120.34 1j2o s PHE 89 Ca 0.52 1.66 0.00 0.00 0.12 0.00 0.00 56.93 59.23 1j2o s PHE 89 Cb 0.02 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 1j2o s PHE 89 CO 0.02 -2.28 0.00 0.41 -0.10 0.00 0.00 175.22 173.26 1j2o n GLY 90 N -0.47 1.18 0.00 4.36 0.00 -1.26 -5.06 105.19 103.95 1j2o n GLY 90 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1j2o n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j2o n ASP 91 N 0.00 0.00 0.08 1.61 5.75 -1.26 -4.79 116.55 117.94 1j2o n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1j2o n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1j2o n ASP 91 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1j2o n GLU 92 N 0.00 0.00 0.00 0.11 0.28 -1.26 -5.00 120.64 114.77 1j2o n GLU 92 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1j2o n GLU 92 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1j2o n GLU 92 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1j2o n ASP 93 N -2.78 0.00 -0.83 -1.84 2.03 -1.26 -5.17 116.55 106.69 1j2o n ASP 93 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 1j2o n ASP 93 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1j2o n GLU 94 N -1.68 -1.91 0.00 -0.67 0.28 -1.26 -4.91 120.64 110.48 1j2o n GLU 94 Ca 0.00 1.55 0.00 0.00 -0.16 0.00 0.00 57.16 58.55 1j2o n GLU 94 Cb 0.00 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 30.63 1j2o n GLU 94 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1j2o n ARG 95 N -3.39 2.25 -0.16 3.44 3.00 -0.66 -5.04 116.66 116.10 1j2o n ARG 95 Ca -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.82 1j2o n ARG 95 Cb 0.40 -0.83 -0.01 0.00 0.00 0.00 0.00 32.46 32.02 1j2o n ARG 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1j2o n LEU 96 N -1.32 0.00 -3.68 6.15 4.32 -0.66 -4.87 117.00 116.94 1j2o n LEU 96 Ca 0.00 0.17 -0.12 0.00 -0.02 0.00 0.00 56.01 56.04 1j2o n LEU 96 Cb 0.00 -0.47 -0.09 0.00 -1.62 0.00 0.00 43.42 41.24 1j2o n LEU 96 CO 0.00 -1.54 0.23 0.27 -1.22 0.00 0.00 177.39 175.12 1j2o s ILE 97 N -0.25 -0.00 -0.11 -0.08 -4.36 -1.26 -4.39 121.20 110.75 1j2o s ILE 97 Ca 0.00 0.02 0.04 0.00 -0.26 0.00 0.00 60.65 60.44 1j2o s ILE 97 Cb 0.00 -0.78 0.00 0.00 1.25 0.00 0.00 42.46 42.93 1j2o s ILE 97 CO 0.00 0.01 -0.23 -0.89 0.24 0.00 0.00 174.94 174.06 1j2o s THR 98 N 0.69 2.04 -0.65 8.37 2.01 -1.25 -4.82 115.64 122.02 1j2o s THR 98 Ca -0.03 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.69 1j2o s THR 98 Cb -0.05 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.71 1j2o s THR 98 CO -0.05 0.55 1.28 -0.13 -0.69 0.00 0.00 174.62 175.58 1j2o s ARG 99 N 0.48 3.32 0.55 4.92 1.81 -1.26 -3.74 118.95 125.03 1j2o s ARG 99 Ca -0.16 0.06 -0.04 0.00 -1.72 0.00 0.00 55.73 53.87 1j2o s ARG 99 Cb -0.17 -4.11 0.01 0.00 -0.45 0.00 0.00 34.95 30.22 1j2o s ARG 99 CO 0.06 -1.96 0.84 -1.17 -0.68 0.00 0.00 175.30 172.39 1j2o s LEU 100 N 5.57 3.34 -0.22 2.53 2.96 0.21 -4.89 118.68 128.18 1j2o s LEU 100 Ca 0.41 0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 54.83 1j2o s LEU 100 Cb -0.08 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1j2o s LEU 100 CO 0.20 -0.97 0.14 -1.61 -1.32 0.00 0.00 176.35 172.80 1j2o s GLU 101 N -4.88 4.13 0.80 1.98 0.41 -1.26 -1.76 118.70 118.12 1j2o s GLU 101 Ca 0.52 -0.25 -0.05 0.00 -0.41 0.00 0.00 54.97 54.79 1j2o s GLU 101 Cb -0.10 -3.47 0.16 0.00 -1.78 0.00 0.00 34.13 28.94 1j2o s GLU 101 CO 0.43 0.19 1.10 1.21 -0.49 0.00 0.00 175.26 177.70 1j2o s ASN 102 N 0.69 3.88 0.16 -0.19 2.47 -0.38 -4.78 114.94 116.79 1j2o s ASN 102 Ca 0.08 -0.30 -0.19 0.00 0.42 0.00 0.00 52.86 52.87 1j2o s ASN 102 Cb -0.12 0.09 0.08 0.00 -1.45 0.00 0.00 41.25 39.85 1j2o s ASN 102 CO 0.01 -2.20 1.65 0.74 -3.72 0.00 0.00 177.10 173.58 1j2o h THR 103 N -0.88 0.49 -0.96 -5.21 2.02 -1.86 -2.09 112.91 104.42 1j2o h THR 103 Ca -0.37 0.00 0.18 0.00 0.77 0.00 0.00 66.41 66.99 1j2o h THR 103 Cb 1.25 0.49 -0.11 0.00 -1.74 0.00 0.00 68.15 68.04 1j2o h THR 103 CO 0.37 0.00 0.56 1.56 0.37 0.00 0.00 175.52 178.37 1j2o h GLN 104 N -0.10 0.68 -2.61 6.66 4.20 -1.87 -3.32 115.11 118.76 1j2o h GLN 104 Ca 0.18 -0.04 -0.59 0.00 0.06 0.00 0.00 58.65 58.26 1j2o h GLN 104 Cb 0.38 -0.15 -0.39 0.00 0.30 0.00 0.00 27.48 27.61 1j2o h GLN 104 CO -0.43 0.45 -0.85 0.12 -0.67 0.00 0.00 178.83 177.45 1j2o s PHE 105 N -5.88 1.02 0.00 2.96 2.19 -0.82 -4.99 117.98 112.46 1j2o s PHE 105 Ca -0.11 -1.90 0.00 0.00 0.33 0.00 0.00 56.93 55.25 1j2o s PHE 105 Cb 0.24 -1.08 0.00 0.00 -1.31 0.00 0.00 43.02 40.87 1j2o s PHE 105 CO 0.80 -0.82 0.00 -3.47 1.83 0.00 0.00 175.22 173.56 1j2o n ASP 106 N 3.71 0.00 -2.20 6.13 -0.08 -0.99 -3.51 116.55 119.61 1j2o n ASP 106 Ca 0.15 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.24 1j2o n ASP 106 Cb 0.39 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.83 1j2o n ASP 106 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j2o n ALA 107 N -3.00 -0.57 -1.24 -1.67 0.00 -1.22 -4.86 120.51 107.96 1j2o n ALA 107 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1j2o n ALA 107 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o n ALA 108 N -1.83 0.59 0.06 0.00 0.00 -1.26 -4.85 120.51 113.22 1j2o n ALA 108 Ca -0.23 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1j2o n ALA 108 Cb 0.68 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.99 1j2o n ALA 108 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1j2o h ASN 109 N 0.00 0.31 -1.47 0.00 -0.73 -1.99 -3.46 115.58 108.24 1j2o h ASN 109 Ca 0.00 -0.41 -0.47 0.00 1.87 0.00 0.00 56.30 57.29 1j2o h ASN 109 Cb 0.00 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1j2o h ASN 109 CO 0.00 1.34 -0.33 -0.83 -0.37 0.00 0.00 177.43 177.24 1j2o s GLY 110 N -4.88 2.07 -0.97 1.57 0.00 -1.26 -5.01 107.32 98.83 1j2o s GLY 110 Ca -0.06 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 1j2o s GLY 110 CO 0.85 -1.63 2.43 1.39 0.00 0.00 0.00 173.10 176.14 1j2o n ILE 111 N -1.67 4.62 0.00 0.90 2.08 -1.26 -3.37 119.36 120.66 1j2o n ILE 111 Ca 0.05 -4.09 0.00 0.00 0.56 0.00 0.00 62.75 59.28 1j2o n ILE 111 Cb 0.61 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1j2o n ASP 112 N 1.09 0.00 -4.50 4.38 2.03 -1.26 -4.75 116.55 113.54 1j2o n ASP 112 Ca 0.56 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.44 1j2o n ASP 112 Cb 0.35 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j2o s ASP 113 N 0.00 6.53 0.00 1.67 2.15 -1.26 -4.66 116.67 121.09 1j2o s ASP 113 Ca 0.00 -1.67 0.00 0.00 0.43 0.00 0.00 52.55 51.31 1j2o s ASP 113 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1j2o s ASP 113 CO 0.00 -1.31 0.26 1.21 -0.17 0.00 0.00 175.17 175.17