#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 5.62 0.00 1.61 0.01 -1.26 -5.05 113.70 114.63 1j2o s SER 2 Ca 0.00 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1j2o s SER 2 Cb 0.00 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.41 1j2o s SER 2 CO 0.00 -1.09 0.38 0.18 0.41 0.00 0.00 173.24 173.12 1j2o n LEU 3 N -2.67 0.85 -4.34 2.44 4.77 -1.26 -4.95 117.00 111.83 1j2o n LEU 3 Ca 0.05 0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1j2o n LEU 3 Cb 0.57 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1j2o n LEU 3 CO 0.54 -0.06 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.40 1j2o s LEU 4 N -1.38 2.41 -0.04 2.23 1.43 -1.19 -5.03 118.68 117.11 1j2o s LEU 4 Ca 0.00 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 1j2o s LEU 4 Cb 0.00 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.78 1j2o s LEU 4 CO 0.00 -0.37 -0.02 0.42 0.23 0.00 0.00 176.35 176.61 1j2o s THR 5 N -3.21 0.36 0.07 5.49 -4.23 -1.26 -0.07 115.64 112.79 1j2o s THR 5 Ca 0.25 -0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.51 1j2o s THR 5 Cb 0.03 -0.42 -0.06 0.00 1.34 0.00 0.00 72.50 73.39 1j2o s THR 5 CO 0.08 0.18 0.69 0.00 -0.54 0.00 0.00 174.62 175.03 1j2o n GLY 7 N 2.06 -0.26 0.13 0.00 0.00 0.04 -1.35 105.19 105.81 1j2o n GLY 7 Ca -0.06 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1j2o n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 8 N 0.97 -0.49 0.00 -0.02 0.00 -1.26 -4.73 105.19 99.67 1j2o n GLY 8 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j2o n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2o n GLN 10 N -1.00 -1.37 -0.06 0.00 1.13 -0.45 -4.87 117.38 110.75 1j2o n GLN 10 Ca 0.00 0.96 0.11 0.00 -1.94 0.00 0.00 57.00 56.14 1j2o n GLN 10 Cb 0.00 -5.38 0.41 0.00 0.11 0.00 0.00 30.24 25.38 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 -2.64 1.70 -0.62 -1.09 10.64 -1.26 -4.90 117.38 119.21 1j2o n GLN 11 Ca -0.20 -1.04 0.00 0.00 -1.83 0.00 0.00 57.00 53.93 1j2o n GLN 11 Cb 0.64 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 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 0.26 -4.41 -4.39 2.61 5.15 -1.26 -4.93 115.26 108.29 1j2o n ASN 12 Ca 0.17 0.45 -0.44 0.00 -0.60 0.00 0.00 54.58 54.16 1j2o n ASN 12 Cb 0.33 -1.02 -0.08 0.00 -0.53 0.00 0.00 39.78 38.48 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 -1.44 5.15 -1.39 -1.44 1.01 0.90 -4.86 121.20 119.12 1j2o s ILE 13 Ca 0.00 -1.04 0.27 0.00 0.00 0.00 0.00 60.65 59.88 1j2o s ILE 13 Cb 0.00 -4.05 0.28 0.00 0.01 0.00 0.00 42.46 38.69 1j2o s ILE 13 CO 0.00 -0.54 1.72 0.61 0.00 0.00 0.00 174.94 176.73 1j2o n GLY 14 N 5.17 -1.06 3.59 6.18 0.00 -1.26 -3.17 105.19 114.64 1j2o n GLY 14 Ca -0.12 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1j2o n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j2o s ASP 15 N -2.70 4.60 -0.34 1.61 1.11 -1.26 -5.00 116.67 114.69 1j2o s ASP 15 Ca 0.21 -0.13 0.09 0.00 0.18 0.00 0.00 52.55 52.90 1j2o s ASP 15 Cb 0.19 -1.08 0.70 0.00 1.07 0.00 0.00 42.92 43.80 1j2o s ASP 15 CO 0.55 0.30 1.77 -2.11 1.18 0.00 0.00 175.17 176.86 1j2o n ARG 16 N 1.67 3.21 -3.56 8.23 1.85 -1.26 -4.66 116.66 122.15 1j2o n ARG 16 Ca -0.16 -3.07 -0.41 0.00 -1.00 0.00 0.00 57.85 53.21 1j2o n ARG 16 Cb 0.53 -2.15 -0.07 0.00 -1.05 0.00 0.00 32.46 29.72 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 -3.07 3.53 0.00 2.89 5.04 -1.26 -1.96 117.35 122.52 1j2o s TYR 17 Ca 0.54 -2.32 0.00 0.00 -2.44 0.00 0.00 57.07 52.85 1j2o s TYR 17 Cb 0.44 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 39.28 1j2o s TYR 17 CO 0.11 -0.92 0.00 1.97 -1.34 0.00 0.00 175.55 175.37 1j2o n PHE 18 N 3.91 -0.58 -4.65 4.97 -1.74 -1.24 -4.68 117.46 113.46 1j2o n PHE 18 Ca 0.07 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.70 1j2o n PHE 18 Cb 0.41 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.27 1j2o n PHE 18 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1j2o s LEU 19 N 0.00 2.19 0.07 5.98 1.43 -1.25 -0.14 118.68 126.95 1j2o s LEU 19 Ca 0.00 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1j2o s LEU 19 Cb 0.00 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1j2o s LEU 19 CO 0.00 0.17 0.19 -0.54 0.23 0.00 0.00 176.35 176.40 1j2o s LYS 20 N -1.30 0.78 0.00 1.70 3.01 -1.12 0.10 119.74 122.90 1j2o s LYS 20 Ca 0.08 -0.81 0.00 0.00 -1.01 0.00 0.00 55.97 54.23 1j2o s LYS 20 Cb -0.09 0.32 0.00 0.00 -1.01 0.00 0.00 37.83 37.05 1j2o s LYS 20 CO 0.02 -0.24 0.00 0.00 0.51 0.00 0.00 175.35 175.64 1j2o n ALA 21 N 0.27 0.00 -0.32 5.17 0.00 -1.19 -1.25 120.51 123.18 1j2o n ALA 21 Ca -0.17 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.43 1j2o n ALA 21 Cb 0.61 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.38 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 0.10 0.00 0.00 2.04 -1.84 -3.41 117.51 114.40 1j2o h ILE 22 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1j2o h ILE 22 Cb 0.00 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 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 -5.39 0.00 -2.44 1.72 2.03 -1.26 -0.61 116.55 110.60 1j2o n ASP 23 Ca 0.24 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.45 1j2o n ASP 23 Cb 0.80 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.17 1j2o n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n GLN 24 N 0.00 0.49 -2.49 -0.67 0.00 -1.26 -5.08 117.38 108.37 1j2o n GLN 24 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 57.00 54.69 1j2o n GLN 24 Cb 0.00 1.93 -0.00 0.00 0.00 0.00 0.00 30.24 32.16 1j2o n GLN 24 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1j2o s TYR 25 N -3.48 3.56 0.00 2.61 2.02 -1.24 -3.15 117.35 117.66 1j2o s TYR 25 Ca 0.21 0.98 0.00 0.00 -0.37 0.00 0.00 57.07 57.89 1j2o s TYR 25 Cb -0.01 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 1j2o s TYR 25 CO 0.15 -0.35 0.00 0.91 -1.57 0.00 0.00 175.55 174.70 1j2o n TRP 26 N -2.19 0.00 -4.50 2.71 7.02 0.11 -0.78 117.44 119.82 1j2o n TRP 26 Ca 0.02 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.26 1j2o n TRP 26 Cb 0.55 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.34 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 -0.18 1.89 -0.03 -5.99 3.76 -1.26 -4.19 115.29 109.28 1j2o s HIS 27 Ca 0.00 -1.09 -0.25 0.00 -0.15 0.00 0.00 55.06 53.57 1j2o s HIS 27 Cb 0.00 -1.26 -0.20 0.00 1.11 0.00 0.00 32.58 32.23 1j2o s HIS 27 CO 0.00 -0.10 1.19 0.93 -0.85 0.00 0.00 174.74 175.91 1j2o h GLU 28 N 1.93 -0.06 0.00 1.40 5.08 -1.91 -2.31 114.58 118.71 1j2o h GLU 28 Ca -0.39 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1j2o h GLU 28 Cb 1.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1j2o h GLU 28 CO 0.65 0.43 -0.54 0.22 -1.00 0.00 0.00 179.01 178.78 1j2o h ASP 29 N -0.58 0.00 0.04 1.42 3.58 -1.98 -3.34 116.42 115.56 1j2o h ASP 29 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1j2o h ASP 29 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1j2o h ASP 29 CO 0.01 0.23 -0.02 0.00 -2.88 0.00 0.00 179.24 176.58 1j2o n LEU 31 N -4.83 6.74 -4.12 0.00 -0.00 -0.87 -4.34 117.00 109.58 1j2o n LEU 31 Ca -0.09 -5.14 -0.14 0.00 -0.00 0.00 0.00 56.01 50.64 1j2o n LEU 31 Cb 0.30 -1.29 -0.11 0.00 -0.00 0.00 0.00 43.42 42.31 1j2o n LEU 31 CO 0.32 1.73 -0.42 -0.44 -0.00 0.00 0.00 177.39 178.58 1j2o s SER 32 N -1.18 1.19 0.63 1.96 0.01 -1.26 -4.94 113.70 110.12 1j2o s SER 32 Ca 0.35 -0.67 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 1j2o s SER 32 Cb 0.09 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 1j2o s SER 32 CO 0.04 -0.21 1.13 0.00 0.41 0.00 0.00 173.24 174.61 1j2o h ASP 34 N 0.39 0.83 0.07 0.00 1.82 -1.77 -0.93 116.42 116.84 1j2o h ASP 34 Ca -0.48 -0.25 -0.22 0.00 -0.39 0.00 0.00 57.03 55.70 1j2o h ASP 34 Cb 1.26 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 41.05 1j2o h ASP 34 CO 0.54 0.95 -0.81 0.25 -1.61 0.00 0.00 179.24 178.56 1j2o h LEU 35 N 0.76 0.73 -0.80 2.28 5.85 -1.91 -3.08 115.31 119.15 1j2o h LEU 35 Ca 0.13 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1j2o h LEU 35 Cb 0.60 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1j2o h LEU 35 CO 0.04 1.28 0.47 0.00 -0.34 0.00 0.00 178.44 179.89 1j2o n GLY 37 N -1.32 -0.21 0.00 0.00 0.00 -1.02 -5.05 105.19 97.60 1j2o n GLY 37 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 3.55 0.31 -0.80 0.00 1.04 -1.01 -4.40 118.95 117.64 1j2o s ARG 39 Ca 0.00 -0.01 -0.25 0.00 -1.04 0.00 0.00 55.73 54.43 1j2o s ARG 39 Cb 0.00 0.06 -0.03 0.00 -2.04 0.00 0.00 34.95 32.94 1j2o s ARG 39 CO 0.00 -0.48 1.88 -0.51 -0.04 0.00 0.00 175.30 176.16 1j2o s LEU 40 N 2.23 3.22 -0.86 -1.89 1.43 -0.80 -4.69 118.68 117.32 1j2o s LEU 40 Ca 0.18 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1j2o s LEU 40 Cb -0.00 -2.55 0.35 0.00 0.03 0.00 0.00 46.19 44.02 1j2o s LEU 40 CO -0.16 -2.55 1.90 0.61 0.23 0.00 0.00 176.35 176.37 1j2o n GLY 41 N 6.43 5.70 3.75 -3.19 0.00 -1.26 -4.79 105.19 111.83 1j2o n GLY 41 Ca 0.32 -2.53 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 1j2o n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j2o s GLU 42 N -4.09 -0.51 0.00 1.61 4.04 -1.26 -4.67 118.70 113.82 1j2o s GLU 42 Ca 0.49 -0.29 0.00 0.00 0.04 0.00 0.00 54.97 55.21 1j2o s GLU 42 Cb 0.38 -1.70 0.00 0.00 0.02 0.00 0.00 34.13 32.83 1j2o s GLU 42 CO -0.33 -3.20 0.69 1.55 -1.84 0.00 0.00 175.26 172.13 1j2o n VAL 43 N -4.35 0.00 -3.72 1.83 3.14 -1.26 -5.11 118.33 108.86 1j2o n VAL 43 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 1j2o n VAL 43 Cb 0.59 0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.61 1j2o n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j2o n GLY 44 N 0.00 5.19 0.00 7.55 0.00 -1.26 -5.00 105.19 111.67 1j2o n GLY 44 Ca -0.13 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1j2o n GLY 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1j2o n ARG 45 N 0.00 0.78 -1.38 1.61 0.63 -0.82 -4.90 116.66 112.58 1j2o n ARG 45 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1j2o n ARG 45 Cb 0.00 -0.89 -0.02 0.00 0.45 0.00 0.00 32.46 32.00 1j2o n ARG 45 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1j2o n ARG 46 N -2.12 2.67 -3.57 -0.14 1.74 0.22 -4.80 116.66 110.67 1j2o n ARG 46 Ca 0.00 -2.20 -0.16 0.00 -0.77 0.00 0.00 57.85 54.72 1j2o n ARG 46 Cb 0.39 -2.99 -0.06 0.00 -1.02 0.00 0.00 32.46 28.78 1j2o n ARG 46 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1j2o s LEU 47 N 1.23 -0.28 -0.96 0.55 1.98 -1.26 -2.36 118.68 117.58 1j2o s LEU 47 Ca 0.54 0.45 -0.24 0.00 -2.89 0.00 0.00 54.13 51.99 1j2o s LEU 47 Cb 0.15 2.24 0.03 0.00 0.66 0.00 0.00 46.19 49.27 1j2o s LEU 47 CO -0.03 -0.63 1.54 -0.47 -1.89 0.00 0.00 176.35 174.87 1j2o s TYR 48 N -1.64 2.34 0.05 5.38 5.04 -1.19 -4.91 117.35 122.42 1j2o s TYR 48 Ca -0.09 -0.43 -0.01 0.00 -2.44 0.00 0.00 57.07 54.09 1j2o s TYR 48 Cb -0.01 -4.55 -0.03 0.00 0.35 0.00 0.00 41.96 37.72 1j2o s TYR 48 CO 0.05 -1.93 -0.01 1.52 -1.34 0.00 0.00 175.55 173.84 1j2o s TYR 49 N 6.15 0.45 0.56 4.97 -0.85 -1.26 -4.60 117.35 122.77 1j2o s TYR 49 Ca 0.50 -0.94 -0.16 0.00 -0.52 0.00 0.00 57.07 55.95 1j2o s TYR 49 Cb -0.02 -0.33 -0.06 0.00 0.38 0.00 0.00 41.96 41.93 1j2o s TYR 49 CO -0.05 -0.36 1.03 0.15 -1.52 0.00 0.00 175.55 174.80 1j2o s LYS 50 N -3.48 3.60 0.31 -3.49 1.02 0.54 -4.91 119.74 113.33 1j2o s LYS 50 Ca 0.03 1.10 0.17 0.00 0.02 0.00 0.00 55.97 57.29 1j2o s LYS 50 Cb 0.05 -2.08 1.11 0.00 -0.52 0.00 0.00 37.83 36.39 1j2o s LYS 50 CO -0.08 -0.57 1.33 1.47 -0.92 0.00 0.00 175.35 176.57 1j2o n LEU 51 N -1.81 0.27 -0.41 3.17 -0.00 -1.26 -1.55 117.00 115.42 1j2o n LEU 51 Ca 0.08 1.40 0.01 0.00 -0.00 0.00 0.00 56.01 57.50 1j2o n LEU 51 Cb 0.53 -0.67 0.02 0.00 -0.00 0.00 0.00 43.42 43.30 1j2o n LEU 51 CO 0.47 -1.56 0.29 0.61 -0.00 0.00 0.00 177.39 177.19 1j2o n GLY 52 N -1.23 0.72 2.77 1.47 0.00 -1.26 -5.02 105.19 102.63 1j2o n GLY 52 Ca 0.31 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.32 0.22 -0.67 1.61 1.70 -0.59 -5.10 118.95 115.80 1j2o s ARG 53 Ca 0.03 0.20 -0.25 0.00 -0.47 0.00 0.00 55.73 55.25 1j2o s ARG 53 Cb 0.03 -1.08 0.05 0.00 -0.57 0.00 0.00 34.95 33.37 1j2o s ARG 53 CO 0.00 -0.69 1.11 -1.59 -1.08 0.00 0.00 175.30 173.05 1j2o s LYS 54 N 2.35 3.21 0.16 3.89 0.00 -1.26 -0.34 119.74 127.75 1j2o s LYS 54 Ca 0.08 -0.41 -0.09 0.00 0.00 0.00 0.00 55.97 55.55 1j2o s LYS 54 Cb -0.16 -4.16 -0.01 0.00 0.00 0.00 0.00 37.83 33.50 1j2o s LYS 54 CO -0.15 -1.89 0.28 -0.48 0.00 0.00 0.00 175.35 173.11 1j2o s LEU 55 N 4.82 0.98 1.10 2.77 2.34 -1.26 -4.29 118.68 125.13 1j2o s LEU 55 Ca 0.30 -0.85 -0.14 0.00 0.06 0.00 0.00 54.13 53.50 1j2o s LEU 55 Cb -0.12 1.19 0.24 0.00 -0.56 0.00 0.00 46.19 46.94 1j2o s LEU 55 CO 0.15 -0.89 1.07 0.00 -1.06 0.00 0.00 176.35 175.62 1j2o h ARG 57 N -2.27 0.16 0.00 0.00 9.65 -1.98 -0.71 114.38 119.23 1j2o h ARG 57 Ca -0.56 -0.13 -0.26 0.00 -1.10 0.00 0.00 59.98 57.93 1j2o h ARG 57 Cb 1.33 0.03 0.02 0.00 -1.39 0.00 0.00 29.97 29.96 1j2o h ARG 57 CO 0.52 0.80 -1.02 0.07 2.80 0.00 0.00 179.97 183.14 1j2o h ARG 58 N 0.11 0.64 -0.04 0.20 -0.00 -1.92 -0.85 114.38 112.51 1j2o h ARG 58 Ca -0.02 -0.69 -0.26 0.00 -0.00 0.00 0.00 59.98 59.02 1j2o h ARG 58 Cb 1.25 0.19 0.02 0.00 -0.00 0.00 0.00 29.97 31.43 1j2o h ARG 58 CO 0.10 1.28 -0.98 -0.44 -0.00 0.00 0.00 179.97 179.93 1j2o h ASP 59 N 0.36 0.93 -0.51 0.08 3.32 -1.91 -2.96 116.42 115.73 1j2o h ASP 59 Ca -0.12 -0.71 0.01 0.00 0.02 0.00 0.00 57.03 56.23 1j2o h ASP 59 Cb 1.67 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 1j2o h ASP 59 CO 0.20 1.51 0.34 0.22 -1.72 0.00 0.00 179.24 179.79 1j2o h TYR 60 N 0.44 0.64 0.00 4.55 5.03 -1.16 -0.42 116.97 126.04 1j2o h TYR 60 Ca -0.11 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1j2o h TYR 60 Cb 1.63 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.69 1j2o h TYR 60 CO 0.10 0.40 0.00 1.25 -1.32 0.00 0.00 178.16 178.59 1j2o h LEU 61 N 0.68 0.00 0.00 2.82 5.85 -0.99 0.15 115.31 123.82 1j2o h LEU 61 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1j2o h LEU 61 Cb -0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1j2o h LEU 61 CO -0.04 0.00 -0.86 -0.09 -0.34 0.00 0.00 178.44 177.11 1j2o h ARG 62 N 0.00 0.00 0.00 1.25 9.65 -0.93 -2.95 114.38 121.40 1j2o h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1j2o h ARG 62 Cb 0.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1j2o h ARG 62 CO 0.00 0.00 -0.88 1.47 2.80 0.00 0.00 179.97 183.36 1j2o n LEU 63 N -2.71 1.18 -2.41 3.80 -0.00 -1.09 -4.89 117.00 110.88 1j2o n LEU 63 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1j2o n LEU 63 Cb 0.54 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.01 1j2o n LEU 63 CO 0.39 0.16 0.05 0.61 -0.00 0.00 0.00 177.39 178.61 1j2o n GLY 64 N 3.02 2.80 0.00 1.47 0.00 0.35 -4.95 105.19 107.87 1j2o n GLY 64 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.51 1.09 2.34 -0.02 0.00 -0.17 -4.82 105.19 103.10 1j2o n GLY 65 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 1j2o n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j2o n SER 66 N 0.00 3.70 -3.02 1.61 7.64 -1.25 -4.97 113.62 117.33 1j2o n SER 66 Ca 0.00 -3.16 -0.17 0.00 1.01 0.00 0.00 58.87 56.55 1j2o n SER 66 Cb 0.00 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 62.76 1j2o n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j2o n GLY 67 N -0.63 -0.13 0.00 0.23 0.00 -1.21 -3.93 105.19 99.53 1j2o n GLY 67 Ca 0.30 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.13 0.64 0.00 -0.02 0.00 -1.12 -4.42 105.19 99.15 1j2o n GLY 68 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1j2o n GLY 68 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j2o n HIS 69 N 0.00 0.00 0.24 1.61 -0.00 -1.25 -4.86 115.22 110.95 1j2o n HIS 69 Ca 0.00 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.27 1j2o n HIS 69 Cb 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.75 1j2o n HIS 69 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1j2o n MET 70 N 0.00 0.79 -3.38 1.57 2.81 -1.26 -4.29 117.12 113.36 1j2o n MET 70 Ca 0.00 -0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 55.66 1j2o n MET 70 Cb 0.00 -1.38 -0.09 0.00 -0.71 0.00 0.00 33.22 31.04 1j2o n MET 70 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1j2o s GLY 71 N -3.59 -0.31 -0.49 3.03 0.00 -1.26 -4.28 107.32 100.41 1j2o s GLY 71 Ca -0.03 0.57 -0.20 0.00 0.00 0.00 0.00 44.72 45.06 1j2o s GLY 71 CO 0.72 2.60 0.65 -0.56 0.00 0.00 0.00 173.10 176.51 1j2o s SER 72 N 2.48 6.25 -0.35 1.64 0.01 -1.26 -4.22 113.70 118.25 1j2o s SER 72 Ca 0.11 -0.74 -0.37 0.00 1.31 0.00 0.00 55.95 56.26 1j2o s SER 72 Cb -0.15 -2.31 -0.13 0.00 0.21 0.00 0.00 66.02 63.64 1j2o s SER 72 CO -0.18 -0.89 2.10 0.61 0.41 0.00 0.00 173.24 175.29 1j2o n GLY 73 N 5.14 0.51 0.00 3.44 0.00 0.13 -4.51 105.19 109.90 1j2o n GLY 73 Ca -0.05 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 6.21 -0.52 2.50 -0.02 0.00 -1.26 -4.22 105.19 107.87 1j2o n GLY 74 Ca 0.40 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.00 3.24 -0.20 1.61 -1.08 -1.26 -5.08 116.67 109.90 1j2o s ASP 75 Ca 0.00 -1.75 -0.02 0.00 -0.52 0.00 0.00 52.55 50.26 1j2o s ASP 75 Cb 0.00 -0.37 0.06 0.00 -1.46 0.00 0.00 42.92 41.15 1j2o s ASP 75 CO 0.00 -0.37 0.01 -0.69 0.52 0.00 0.00 175.17 174.63 1j2o s VAL 76 N 1.57 0.81 -0.79 1.11 1.01 -1.26 -5.08 120.40 117.77 1j2o s VAL 76 Ca 0.14 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1j2o s VAL 76 Cb -0.20 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.98 1j2o s VAL 76 CO -0.17 -0.16 1.35 -0.04 0.00 0.00 0.00 175.10 176.08 1j2o s MET 77 N 1.73 3.24 0.00 2.72 1.00 -1.26 -4.85 119.30 121.87 1j2o s MET 77 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 55.69 55.29 1j2o s MET 77 Cb -0.17 -4.43 0.00 0.00 0.00 0.00 0.00 34.83 30.22 1j2o s MET 77 CO -0.07 -2.20 0.00 1.55 0.00 0.00 0.00 175.02 174.29 1j2o n VAL 78 N 6.54 0.00 -0.14 -6.03 3.14 -1.26 -5.04 118.33 115.54 1j2o n VAL 78 Ca 0.10 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.36 1j2o n VAL 78 Cb 0.50 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.26 1j2o n VAL 78 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1j2o h VAL 79 N 0.00 1.28 -0.48 1.55 2.07 -2.01 -3.13 116.25 115.54 1j2o h VAL 79 Ca 0.00 -1.34 -0.70 0.00 0.82 0.00 0.00 66.70 65.48 1j2o h VAL 79 Cb 0.00 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1j2o h VAL 79 CO 0.00 0.45 3.25 0.61 0.02 0.00 0.00 177.57 181.90 1j2o n GLY 80 N -0.07 4.64 3.67 2.17 0.00 -1.26 -4.95 105.19 109.38 1j2o n GLY 80 Ca -0.01 -1.73 -0.49 0.00 0.00 0.00 0.00 46.02 43.79 1j2o n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j2o n GLU 81 N 2.95 1.94 -0.02 1.61 2.13 -1.19 -4.98 120.64 123.08 1j2o n GLU 81 Ca 0.71 0.70 -0.01 0.00 0.66 0.00 0.00 57.16 59.23 1j2o n GLU 81 Cb 0.24 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.48 1j2o n GLU 81 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1j2o n PRO 82 N 4.57 -1.02 -2.60 5.31 -0.02 -1.26 -4.67 135.00 135.32 1j2o n PRO 82 Ca 0.20 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1j2o n PRO 82 Cb 0.26 -0.03 0.01 0.00 -0.02 0.00 0.00 33.50 33.73 1j2o n PRO 82 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1j2o n THR 83 N -2.53 5.61 -1.13 3.45 -2.24 -1.26 -4.61 114.28 111.57 1j2o n THR 83 Ca 0.00 -5.55 -0.29 0.00 -2.27 0.00 0.00 64.05 55.94 1j2o n THR 83 Cb 0.01 -1.85 0.24 0.00 -2.10 0.00 0.00 70.33 66.62 1j2o n THR 83 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j2o n LEU 84 N 0.97 0.00 -0.04 3.22 7.99 -1.26 -4.46 117.00 123.42 1j2o n LEU 84 Ca 0.43 -1.15 -0.14 0.00 -0.01 0.00 0.00 56.01 55.14 1j2o n LEU 84 Cb 0.29 -0.97 -0.09 0.00 -0.11 0.00 0.00 43.42 42.54 1j2o n LEU 84 CO 0.63 -2.05 0.52 -0.03 -1.51 0.00 0.00 177.39 174.96 1j2o h MET 85 N 0.00 0.30 0.00 3.23 4.05 -1.95 -3.37 114.93 117.19 1j2o h MET 85 Ca -0.40 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 58.82 1j2o h MET 85 Cb 1.20 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1j2o h MET 85 CO 0.26 0.80 0.00 0.41 0.23 0.00 0.00 176.91 178.61 1j2o n GLY 86 N 0.47 2.64 0.00 1.39 0.00 -1.26 -4.83 105.19 103.61 1j2o n GLY 86 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 3.07 3.33 -0.02 0.00 -1.26 -4.84 105.19 105.47 1j2o n GLY 87 Ca 0.00 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.95 0.00 1.61 2.02 -1.26 -4.89 118.70 119.12 1j2o s GLU 88 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1j2o s GLU 88 Cb 0.00 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 30.03 1j2o s GLU 88 CO 0.00 -1.19 0.00 1.19 0.02 0.00 0.00 175.26 175.28 1j2o n PHE 89 N 5.20 0.00 -3.35 1.61 3.72 -1.26 -0.69 117.46 122.70 1j2o n PHE 89 Ca -0.13 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.13 1j2o n PHE 89 Cb 0.42 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.88 1j2o n PHE 89 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1j2o s GLY 90 N -0.01 -0.25 0.00 1.37 0.00 -1.26 -4.97 107.32 102.20 1j2o s GLY 90 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1j2o s GLY 90 CO 0.00 2.84 0.00 2.09 0.00 0.00 0.00 173.10 178.03 1j2o n ASP 91 N 4.74 0.00 0.00 1.64 5.68 -1.26 -4.81 116.55 122.54 1j2o n ASP 91 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1j2o n ASP 91 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1j2o n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j2o n GLU 92 N 0.00 0.00 0.09 0.11 -0.58 -1.26 -4.72 120.64 114.28 1j2o n GLU 92 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1j2o n GLU 92 Cb 0.00 -2.85 -0.03 0.00 -0.57 0.00 0.00 31.44 27.99 1j2o n GLU 92 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1j2o h ASP 93 N 0.00 0.15 -4.13 1.62 2.03 -2.07 -3.46 116.42 110.56 1j2o h ASP 93 Ca 0.00 -0.13 -0.37 0.00 -0.73 0.00 0.00 57.03 55.80 1j2o h ASP 93 Cb 0.00 -0.05 -0.17 0.00 -0.83 0.00 0.00 39.33 38.28 1j2o h ASP 93 CO 0.00 0.98 -0.74 -0.70 -1.03 0.00 0.00 179.24 177.75 1j2o s GLU 94 N -3.05 0.97 0.08 4.15 -6.30 -1.26 -5.12 118.70 108.17 1j2o s GLU 94 Ca -0.01 -1.26 -0.31 0.00 -2.50 0.00 0.00 54.97 50.89 1j2o s GLU 94 Cb 0.10 -0.72 -0.06 0.00 0.00 0.00 0.00 34.13 33.45 1j2o s GLU 94 CO 0.82 0.12 1.23 0.50 0.02 0.00 0.00 175.26 177.95 1j2o s ARG 95 N -2.94 4.42 0.30 4.30 3.00 -1.26 -4.98 118.95 121.79 1j2o s ARG 95 Ca 0.09 1.83 0.05 0.00 -1.00 0.00 0.00 55.73 56.70 1j2o s ARG 95 Cb -0.03 -3.32 0.05 0.00 0.00 0.00 0.00 34.95 31.65 1j2o s ARG 95 CO 0.02 -0.28 0.38 1.28 0.00 0.00 0.00 175.30 176.70 1j2o n LEU 96 N 3.85 0.00 -4.73 -0.88 4.77 -1.26 -3.16 117.00 115.59 1j2o n LEU 96 Ca 0.09 -1.35 -0.41 0.00 -0.03 0.00 0.00 56.01 54.32 1j2o n LEU 96 Cb 0.46 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1j2o n LEU 96 CO 0.56 -0.58 0.68 0.27 -1.33 0.00 0.00 177.39 177.00 1j2o s ILE 97 N -0.98 4.36 -0.33 -0.08 -5.25 -1.26 -4.87 121.20 112.79 1j2o s ILE 97 Ca 0.29 2.01 -0.26 0.00 -0.99 0.00 0.00 60.65 61.70 1j2o s ILE 97 Cb -0.02 -4.28 0.01 0.00 2.95 0.00 0.00 42.46 41.12 1j2o s ILE 97 CO 0.18 0.33 0.91 0.42 -1.79 0.00 0.00 174.94 175.00 1j2o s THR 98 N -0.15 4.64 -0.88 8.37 -4.23 -0.38 -4.85 115.64 118.17 1j2o s THR 98 Ca 0.47 1.33 -0.25 0.00 -1.18 0.00 0.00 61.69 62.06 1j2o s THR 98 Cb -0.24 -4.29 0.01 0.00 1.34 0.00 0.00 72.50 69.32 1j2o s THR 98 CO 0.31 -0.41 1.60 -0.13 -0.54 0.00 0.00 174.62 175.44 1j2o s ARG 99 N 3.32 3.11 0.85 3.99 1.81 -1.25 -2.79 118.95 127.99 1j2o s ARG 99 Ca 0.38 -0.50 -0.13 0.00 -1.72 0.00 0.00 55.73 53.76 1j2o s ARG 99 Cb -0.13 -4.92 0.11 0.00 -0.45 0.00 0.00 34.95 29.56 1j2o s ARG 99 CO 0.15 -2.57 1.19 -1.17 -0.68 0.00 0.00 175.30 172.22 1j2o s LEU 100 N 7.00 2.40 -0.16 2.53 2.96 0.81 -4.89 118.68 129.32 1j2o s LEU 100 Ca 0.53 0.76 -0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1j2o s LEU 100 Cb -0.05 -3.15 -0.00 0.00 0.50 0.00 0.00 46.19 43.48 1j2o s LEU 100 CO 0.01 -2.16 -0.14 -1.61 -1.32 0.00 0.00 176.35 171.13 1j2o s GLU 101 N -5.55 3.25 0.14 1.98 0.41 -1.09 -3.60 118.70 114.25 1j2o s GLU 101 Ca 0.64 -0.73 0.04 0.00 -0.41 0.00 0.00 54.97 54.51 1j2o s GLU 101 Cb -0.11 -2.68 -0.10 0.00 -1.78 0.00 0.00 34.13 29.46 1j2o s GLU 101 CO 0.50 -0.01 1.32 -0.97 -0.49 0.00 0.00 175.26 175.62 1j2o h ASN 102 N 7.40 0.15 0.00 -0.19 -0.73 -1.76 -2.82 115.58 117.62 1j2o h ASN 102 Ca -0.34 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 57.69 1j2o h ASN 102 Cb 1.18 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.73 1j2o h ASN 102 CO 0.58 1.02 -0.23 0.74 -0.37 0.00 0.00 177.43 179.17 1j2o h THR 103 N 0.05 0.05 -0.34 -3.57 2.02 -1.94 -3.38 112.91 105.80 1j2o h THR 103 Ca -0.04 -1.04 -0.25 0.00 0.77 0.00 0.00 66.41 65.85 1j2o h THR 103 Cb 1.65 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 68.07 1j2o h THR 103 CO 0.14 0.02 0.01 0.00 0.37 0.00 0.00 175.52 176.05 1j2o n GLN 104 N -4.71 1.86 0.00 6.66 1.13 -1.26 -4.33 117.38 116.74 1j2o n GLN 104 Ca -0.04 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 1j2o n GLN 104 Cb 0.13 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 28.70 1j2o n GLN 104 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1j2o n PHE 105 N 1.56 0.00 0.00 1.08 -0.00 -1.06 -4.66 117.46 114.37 1j2o n PHE 105 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.79 1j2o n PHE 105 Cb 0.69 -0.37 0.00 0.00 -0.00 0.00 0.00 39.48 39.81 1j2o n PHE 105 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j2o n ASP 106 N -1.88 0.00 -3.53 -2.13 -0.08 -1.26 -5.06 116.55 102.61 1j2o n ASP 106 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 1j2o n ASP 106 Cb 0.00 0.24 0.03 0.00 2.34 0.00 0.00 41.12 43.72 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 -1.79 -2.59 -1.74 -1.67 0.00 -1.26 -5.02 120.51 106.44 1j2o n ALA 107 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1j2o n ALA 107 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.48 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 -3.26 0.00 -2.25 0.00 0.00 -1.26 -5.03 120.51 108.71 1j2o n ALA 108 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 1j2o n ALA 108 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.05 1j2o n ALA 108 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j2o n ASN 109 N 0.00 4.69 0.00 0.00 5.15 -1.26 -4.96 115.26 118.89 1j2o n ASN 109 Ca 0.00 -3.68 0.00 0.00 -0.60 0.00 0.00 54.58 50.30 1j2o n ASN 109 Cb 0.00 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 1j2o n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j2o n GLY 110 N -0.59 5.09 1.40 8.20 0.00 -1.26 -5.03 105.19 112.99 1j2o n GLY 110 Ca 0.40 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1j2o n GLY 110 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j2o n ILE 111 N 0.00 2.64 -0.30 -0.61 2.08 -1.26 -4.40 119.36 117.51 1j2o n ILE 111 Ca 0.00 -2.12 0.10 0.00 0.56 0.00 0.00 62.75 61.30 1j2o n ILE 111 Cb 0.00 -0.32 0.28 0.00 -0.75 0.00 0.00 39.64 38.85 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 -0.69 3.72 -4.49 4.38 2.03 -1.26 -4.84 116.55 115.40 1j2o n ASP 112 Ca 0.34 -2.00 -0.42 0.00 0.52 0.00 0.00 54.79 53.23 1j2o n ASP 112 Cb 1.15 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 41.09 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 -1.02 6.25 0.00 1.67 2.15 -1.26 -4.76 116.67 119.69 1j2o s ASP 113 Ca 0.43 -1.00 0.20 0.00 0.43 0.00 0.00 52.55 52.62 1j2o s ASP 113 Cb 0.23 -2.47 0.16 0.00 -0.30 0.00 0.00 42.92 40.54 1j2o s ASP 113 CO 0.30 -1.51 1.15 1.21 -0.17 0.00 0.00 175.17 176.14