#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 4.77 0.00 1.61 0.01 -1.26 -5.12 113.70 113.71 1j2o s SER 2 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1j2o s SER 2 Cb 0.00 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1j2o s SER 2 CO 0.00 0.01 0.00 0.18 0.41 0.00 0.00 173.24 173.84 1j2o n LEU 3 N -0.81 0.00 -4.69 2.44 4.32 -1.26 -5.04 117.00 111.95 1j2o n LEU 3 Ca -0.07 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.69 1j2o n LEU 3 Cb 0.58 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.32 1j2o n LEU 3 CO 0.41 0.00 -0.28 -0.76 -1.22 0.00 0.00 177.39 175.54 1j2o s LEU 4 N 0.00 3.33 -0.04 2.23 1.43 -1.26 -5.01 118.68 119.36 1j2o s LEU 4 Ca 0.00 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1j2o s LEU 4 Cb 0.00 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1j2o s LEU 4 CO 0.00 -0.05 -0.05 0.42 0.23 0.00 0.00 176.35 176.90 1j2o s THR 5 N -2.30 0.59 0.24 5.49 -4.23 -1.26 -0.02 115.64 114.15 1j2o s THR 5 Ca 0.33 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.48 1j2o s THR 5 Cb -0.06 -0.60 -0.08 0.00 1.34 0.00 0.00 72.50 73.09 1j2o s THR 5 CO 0.21 0.23 0.74 0.00 -0.54 0.00 0.00 174.62 175.27 1j2o n GLY 7 N 0.62 -0.97 0.11 0.00 0.00 -0.72 -1.24 105.19 103.00 1j2o n GLY 7 Ca -0.01 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 4.97 0.13 0.00 -0.02 0.00 -1.89 -3.44 103.07 102.82 1j2o h GLY 8 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1j2o h GLY 8 CO 0.00 0.28 -0.95 0.00 0.00 0.00 0.00 176.54 175.87 1j2o n GLN 10 N -1.94 -1.08 -0.02 0.00 7.27 -0.37 -4.87 117.38 116.36 1j2o n GLN 10 Ca 0.00 0.84 0.09 0.00 0.07 0.00 0.00 57.00 58.00 1j2o n GLN 10 Cb 0.47 -5.05 0.45 0.00 2.41 0.00 0.00 30.24 28.52 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1j2o n GLN 11 N -2.48 1.20 -0.32 3.69 10.64 -1.26 -4.82 117.38 124.04 1j2o n GLN 11 Ca -0.16 -0.31 0.00 0.00 -1.83 0.00 0.00 57.00 54.70 1j2o n GLN 11 Cb 0.56 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.64 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 -0.45 -2.85 -4.49 2.61 5.15 -1.26 -4.90 115.26 109.07 1j2o n ASN 12 Ca 0.13 0.24 -0.43 0.00 -0.60 0.00 0.00 54.58 53.92 1j2o n ASN 12 Cb 0.13 -0.11 -0.06 0.00 -0.53 0.00 0.00 39.78 39.21 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 -1.82 4.78 -1.14 -1.44 1.01 0.98 -4.86 121.20 118.71 1j2o s ILE 13 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.64 1j2o s ILE 13 Cb 0.00 -4.30 0.14 0.00 0.01 0.00 0.00 42.46 38.31 1j2o s ILE 13 CO 0.00 -0.76 0.94 0.61 0.00 0.00 0.00 174.94 175.72 1j2o n GLY 14 N 5.10 0.49 3.66 6.18 0.00 -1.26 -4.13 105.19 115.23 1j2o n GLY 14 Ca -0.03 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.89 1.31 -0.03 1.61 1.01 -1.26 -4.99 116.67 113.43 1j2o s ASP 15 Ca 0.14 0.53 0.13 0.00 0.71 0.00 0.00 52.55 54.07 1j2o s ASP 15 Cb 0.09 -0.72 -0.22 0.00 1.01 0.00 0.00 42.92 43.08 1j2o s ASP 15 CO 0.13 -3.87 0.67 -2.11 0.21 0.00 0.00 175.17 170.20 1j2o n ARG 16 N -4.58 0.63 -4.91 8.23 1.85 -1.26 -4.62 116.66 112.01 1j2o n ARG 16 Ca 0.14 0.29 -0.27 0.00 -1.00 0.00 0.00 57.85 57.01 1j2o n ARG 16 Cb 0.60 -1.79 -0.15 0.00 -1.05 0.00 0.00 32.46 30.06 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 -2.63 1.85 0.32 2.89 5.04 -1.26 -1.31 117.35 122.25 1j2o s TYR 17 Ca -0.04 -0.36 -0.08 0.00 -2.44 0.00 0.00 57.07 54.15 1j2o s TYR 17 Cb 0.08 -1.16 0.01 0.00 0.35 0.00 0.00 41.96 41.24 1j2o s TYR 17 CO 0.82 0.01 0.54 -0.59 -1.34 0.00 0.00 175.55 174.99 1j2o s PHE 18 N -0.58 0.67 -0.03 4.97 -0.71 -0.88 -4.69 117.98 116.73 1j2o s PHE 18 Ca 0.08 -1.03 0.07 0.00 -1.04 0.00 0.00 56.93 55.01 1j2o s PHE 18 Cb -0.08 0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1j2o s PHE 18 CO -0.00 -1.18 -0.23 -0.51 -1.34 0.00 0.00 175.22 171.96 1j2o s LEU 19 N -3.14 2.21 -0.12 -1.99 1.43 -1.24 -0.27 118.68 115.57 1j2o s LEU 19 Ca 0.25 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 1j2o s LEU 19 Cb -0.01 -1.39 0.08 0.00 0.03 0.00 0.00 46.19 44.89 1j2o s LEU 19 CO 0.15 0.32 0.73 -0.75 0.23 0.00 0.00 176.35 177.03 1j2o s LYS 20 N -0.62 0.95 0.00 1.70 2.36 0.08 0.37 119.74 124.59 1j2o s LYS 20 Ca 0.10 0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.95 1j2o s LYS 20 Cb -0.10 0.45 0.00 0.00 -1.05 0.00 0.00 37.83 37.13 1j2o s LYS 20 CO -0.00 -0.26 0.00 0.00 1.55 0.00 0.00 175.35 176.64 1j2o n ALA 21 N 1.35 0.00 -0.02 3.13 0.00 -1.22 -1.35 120.51 122.40 1j2o n ALA 21 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1j2o n ALA 21 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 0.48 0.00 0.00 2.04 -1.97 -3.44 117.51 114.62 1j2o h ILE 22 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1j2o h ILE 22 Cb 0.00 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1j2o h ILE 22 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.48 1j2o n ASP 23 N -5.35 0.00 -2.52 1.72 -0.08 -1.26 -5.09 116.55 103.97 1j2o n ASP 23 Ca -0.02 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.14 1j2o n ASP 23 Cb 0.26 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 1j2o n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j2o n GLN 24 N 0.00 0.48 -3.02 -0.67 0.00 -1.26 -5.16 117.38 107.75 1j2o n GLN 24 Ca 0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 57.00 54.52 1j2o n GLN 24 Cb 0.00 2.02 -0.05 0.00 0.00 0.00 0.00 30.24 32.21 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 -3.36 3.42 0.00 2.61 2.02 -1.25 -3.42 117.35 117.37 1j2o s TYR 25 Ca 0.23 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 58.04 1j2o s TYR 25 Cb -0.00 -2.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1j2o s TYR 25 CO 0.17 0.01 0.00 0.91 -1.57 0.00 0.00 175.55 175.06 1j2o n TRP 26 N -0.81 0.00 -4.40 2.71 7.02 0.16 -1.76 117.44 120.35 1j2o n TRP 26 Ca 0.03 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.27 1j2o n TRP 26 Cb 0.53 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 -1.32 2.45 0.29 -5.99 3.76 -1.26 -3.68 115.29 109.54 1j2o s HIS 27 Ca 0.00 -0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1j2o s HIS 27 Cb 0.00 -1.09 0.42 0.00 1.11 0.00 0.00 32.58 33.02 1j2o s HIS 27 CO 0.00 0.66 1.84 0.93 -0.85 0.00 0.00 174.74 177.32 1j2o h GLU 28 N 2.25 0.82 -0.10 1.40 5.08 -1.89 -3.19 114.58 118.95 1j2o h GLU 28 Ca -0.42 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1j2o h GLU 28 Cb 1.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1j2o h GLU 28 CO 0.59 0.73 0.00 -3.47 -1.00 0.00 0.00 179.01 175.86 1j2o n ASP 29 N -4.29 2.04 0.05 1.42 2.03 -1.26 -4.57 116.55 111.97 1j2o n ASP 29 Ca 0.04 -1.71 -0.20 0.00 0.52 0.00 0.00 54.79 53.44 1j2o n ASP 29 Cb 0.21 -0.06 -0.14 0.00 -0.72 0.00 0.00 41.12 40.41 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n LEU 31 N -3.50 1.96 -3.71 0.00 4.77 -1.25 -4.86 117.00 110.41 1j2o n LEU 31 Ca -0.24 -0.89 -0.12 0.00 -0.03 0.00 0.00 56.01 54.73 1j2o n LEU 31 Cb 1.06 -1.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1j2o n LEU 31 CO 0.49 -1.98 0.09 -0.44 -1.33 0.00 0.00 177.39 174.21 1j2o s SER 32 N 11.34 -0.19 1.00 -1.43 0.01 -1.26 0.24 113.70 123.42 1j2o s SER 32 Ca 0.98 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.98 1j2o s SER 32 Cb -0.21 0.39 0.19 0.00 0.21 0.00 0.00 66.02 66.60 1j2o s SER 32 CO 0.20 -0.65 1.08 0.00 0.41 0.00 0.00 173.24 174.28 1j2o h ASP 34 N -1.94 0.35 0.40 0.00 3.58 -1.81 -2.80 116.42 114.21 1j2o h ASP 34 Ca -0.54 -0.82 -0.02 0.00 0.42 0.00 0.00 57.03 56.07 1j2o h ASP 34 Cb 1.32 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1j2o h ASP 34 CO 0.55 1.13 -0.19 0.25 -2.88 0.00 0.00 179.24 178.10 1j2o h LEU 35 N -0.38 -0.45 0.00 2.28 5.85 -1.94 -3.41 115.31 117.25 1j2o h LEU 35 Ca -0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1j2o h LEU 35 Cb 1.23 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1j2o h LEU 35 CO 0.09 -0.12 -0.22 0.00 -0.34 0.00 0.00 178.44 177.84 1j2o n GLY 37 N 1.73 0.00 0.00 0.00 0.00 -1.05 -4.88 105.19 100.99 1j2o n GLY 37 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.05 -0.75 0.00 3.00 -1.26 -4.89 118.95 115.10 1j2o s ARG 39 Ca 0.00 0.11 0.03 0.00 -1.00 0.00 0.00 55.73 54.88 1j2o s ARG 39 Cb 0.00 0.07 0.23 0.00 0.00 0.00 0.00 34.95 35.24 1j2o s ARG 39 CO 0.00 -0.04 0.77 1.28 0.00 0.00 0.00 175.30 177.31 1j2o n LEU 40 N 5.09 3.94 -2.45 -0.88 4.77 0.14 -4.90 117.00 122.70 1j2o n LEU 40 Ca -0.08 -5.31 -0.18 0.00 -0.03 0.00 0.00 56.01 50.41 1j2o n LEU 40 Cb 0.55 -0.83 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1j2o n LEU 40 CO -0.11 1.85 0.09 0.61 -1.33 0.00 0.00 177.39 178.50 1j2o n GLY 41 N 1.45 4.47 0.00 -0.72 0.00 -1.26 -4.65 105.19 104.47 1j2o n GLY 41 Ca 0.25 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1j2o n GLY 41 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1j2o n GLU 42 N -0.47 2.84 0.00 1.61 0.00 -1.26 -5.03 120.64 118.33 1j2o n GLU 42 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.45 1j2o n GLU 42 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.24 1j2o n GLU 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1j2o n VAL 43 N 0.00 0.46 0.00 3.84 0.24 -1.26 -4.62 118.33 116.99 1j2o n VAL 43 Ca 0.00 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1j2o n VAL 43 Cb 0.00 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1j2o n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j2o n GLY 44 N -0.23 -1.42 0.00 7.63 0.00 -1.26 -4.29 105.19 105.62 1j2o n GLY 44 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 -3.04 1.61 3.00 -1.26 -5.00 116.66 111.98 1j2o n ARG 45 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 1j2o n ARG 45 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 1j2o n ARG 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1j2o n ARG 46 N 0.00 4.25 -4.05 -0.14 1.74 -1.26 -4.22 116.66 112.99 1j2o n ARG 46 Ca 0.00 -4.59 -0.33 0.00 -0.77 0.00 0.00 57.85 52.15 1j2o n ARG 46 Cb 0.00 -2.46 -0.15 0.00 -1.02 0.00 0.00 32.46 28.82 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 -2.89 2.72 0.09 0.55 1.98 -1.26 -4.90 118.68 114.96 1j2o s LEU 47 Ca 0.33 -0.81 -0.00 0.00 -2.89 0.00 0.00 54.13 50.76 1j2o s LEU 47 Cb 0.08 -1.57 -0.04 0.00 0.66 0.00 0.00 46.19 45.32 1j2o s LEU 47 CO 0.07 -0.07 -0.02 -0.31 -1.89 0.00 0.00 176.35 174.14 1j2o s TYR 48 N 1.29 0.73 -0.19 5.38 2.02 -1.26 -2.77 117.35 122.55 1j2o s TYR 48 Ca 0.01 -1.07 -0.27 0.00 -0.37 0.00 0.00 57.07 55.37 1j2o s TYR 48 Cb -0.15 -0.46 0.07 0.00 -0.40 0.00 0.00 41.96 41.02 1j2o s TYR 48 CO -0.08 -0.35 0.73 1.52 -1.57 0.00 0.00 175.55 175.80 1j2o s TYR 49 N -3.86 -0.72 0.78 2.71 1.13 -1.24 -4.14 117.35 112.01 1j2o s TYR 49 Ca 0.13 1.57 -0.10 0.00 -1.41 0.00 0.00 57.07 57.26 1j2o s TYR 49 Cb 0.07 0.33 0.08 0.00 -1.10 0.00 0.00 41.96 41.34 1j2o s TYR 49 CO -0.05 -0.45 1.13 0.15 -2.51 0.00 0.00 175.55 173.82 1j2o s LYS 50 N -0.22 2.01 0.21 -3.49 -0.14 0.44 -4.92 119.74 113.64 1j2o s LYS 50 Ca -0.04 -0.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.56 1j2o s LYS 50 Cb -0.03 -2.02 0.51 0.00 -1.68 0.00 0.00 37.83 34.61 1j2o s LYS 50 CO 0.04 -1.50 1.09 1.47 -0.76 0.00 0.00 175.35 175.69 1j2o n LEU 51 N -3.20 -0.10 -0.57 3.17 -0.00 -1.26 -2.76 117.00 112.29 1j2o n LEU 51 Ca 0.08 1.18 0.00 0.00 -0.00 0.00 0.00 56.01 57.27 1j2o n LEU 51 Cb 0.61 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1j2o n LEU 51 CO 0.55 -1.19 0.24 0.61 -0.00 0.00 0.00 177.39 177.60 1j2o n GLY 52 N -1.36 0.61 3.25 1.47 0.00 -1.26 -5.10 105.19 102.80 1j2o n GLY 52 Ca 0.16 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.70 -0.07 1.61 1.70 -1.11 -5.14 118.95 116.64 1j2o s ARG 53 Ca 0.02 -0.25 -0.29 0.00 -0.47 0.00 0.00 55.73 54.74 1j2o s ARG 53 Cb 0.02 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1j2o s ARG 53 CO -0.01 -0.20 0.96 0.15 -1.08 0.00 0.00 175.30 175.12 1j2o s LYS 54 N -1.57 4.46 0.13 3.89 1.02 -1.26 -0.42 119.74 125.99 1j2o s LYS 54 Ca -0.12 1.33 -0.24 0.00 0.02 0.00 0.00 55.97 56.96 1j2o s LYS 54 Cb -0.04 -3.51 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 1j2o s LYS 54 CO 0.03 -0.20 0.62 -0.48 -0.92 0.00 0.00 175.35 174.40 1j2o s LEU 55 N 1.60 -0.57 0.82 3.17 2.34 -1.26 -2.01 118.68 122.77 1j2o s LEU 55 Ca 0.48 0.08 -0.06 0.00 0.06 0.00 0.00 54.13 54.68 1j2o s LEU 55 Cb -0.19 2.56 0.16 0.00 -0.56 0.00 0.00 46.19 48.17 1j2o s LEU 55 CO 0.21 -0.91 1.13 0.00 -1.06 0.00 0.00 176.35 175.71 1j2o n ARG 57 N -3.20 0.45 -0.10 0.00 3.00 -1.26 -1.75 116.66 113.79 1j2o n ARG 57 Ca 0.16 -0.14 -0.21 0.00 -0.00 0.00 0.00 57.85 57.66 1j2o n ARG 57 Cb 0.60 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.46 1j2o n ARG 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1j2o n ARG 58 N -1.16 0.56 0.13 -0.14 5.12 -1.26 -2.88 116.66 117.04 1j2o n ARG 58 Ca 0.12 0.56 0.13 0.00 -1.93 0.00 0.00 57.85 56.73 1j2o n ARG 58 Cb 0.29 -1.74 0.44 0.00 -1.16 0.00 0.00 32.46 30.29 1j2o n ARG 58 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1j2o h ASP 59 N -1.00 0.00 -0.13 0.55 3.04 -1.89 0.39 116.42 117.38 1j2o h ASP 59 Ca -0.33 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.23 1j2o h ASP 59 Cb 1.24 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.55 1j2o h ASP 59 CO -0.20 0.00 -0.82 0.22 -2.04 0.00 0.00 179.24 176.40 1j2o h TYR 60 N 0.00 1.07 0.00 4.15 3.20 -1.50 -2.93 116.97 120.96 1j2o h TYR 60 Ca 0.00 -0.49 -0.00 0.00 3.14 0.00 0.00 58.73 61.38 1j2o h TYR 60 Cb 0.61 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1j2o h TYR 60 CO 0.00 1.32 -0.00 1.25 -1.64 0.00 0.00 178.16 179.09 1j2o h LEU 61 N 0.50 0.00 -1.29 2.82 5.85 -1.17 0.31 115.31 122.33 1j2o h LEU 61 Ca -0.07 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1j2o h LEU 61 Cb 1.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1j2o h LEU 61 CO 0.17 0.00 -0.31 0.03 -0.34 0.00 0.00 178.44 177.99 1j2o h ARG 62 N 0.00 0.08 0.00 1.25 -0.00 -0.76 -1.44 114.38 113.51 1j2o h ARG 62 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1j2o h ARG 62 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.62 1j2o h ARG 62 CO 0.00 0.38 -0.92 1.47 0.00 0.00 0.00 179.97 180.90 1j2o n LEU 63 N -4.15 0.56 -1.45 3.04 -0.00 -1.12 -3.95 117.00 109.92 1j2o n LEU 63 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.03 1j2o n LEU 63 Cb 0.37 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.06 1j2o n LEU 63 CO 0.39 0.06 0.68 0.61 -0.00 0.00 0.00 177.39 179.13 1j2o n GLY 64 N 2.97 2.54 0.00 1.47 0.00 0.11 -4.63 105.19 107.64 1j2o n GLY 64 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.38 0.58 0.00 -0.02 0.00 -1.04 -4.80 105.19 100.30 1j2o n GLY 65 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.08 0.00 0.03 1.61 7.64 -0.57 -5.03 113.62 117.22 1j2o n SER 66 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1j2o n SER 66 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 5.00 -0.05 0.00 0.23 0.00 -1.26 -4.81 105.19 104.30 1j2o n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.91 1.00 0.00 -0.02 0.00 -1.25 -4.64 105.19 103.18 1j2o n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.02 1.61 -0.00 -1.26 -5.00 115.22 110.54 1j2o n HIS 69 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1j2o n HIS 69 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.08 1j2o n HIS 69 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 1j2o h MET 70 N 0.00 0.00 0.00 1.57 0.00 -1.93 -3.42 114.93 111.16 1j2o h MET 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 1j2o h MET 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.60 1j2o h MET 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.91 177.32 1j2o n GLY 71 N 1.76 2.99 3.57 8.32 0.00 -1.26 -3.97 105.19 116.61 1j2o n GLY 71 Ca -0.02 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1j2o n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j2o s SER 72 N -0.01 5.64 -0.10 1.61 0.01 -1.26 -0.59 113.70 118.98 1j2o s SER 72 Ca 0.00 0.68 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 1j2o s SER 72 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1j2o s SER 72 CO 0.00 -2.03 0.64 -0.83 0.41 0.00 0.00 173.24 171.44 1j2o s GLY 73 N 6.77 2.45 0.00 3.44 0.00 -1.26 -4.42 107.32 114.29 1j2o s GLY 73 Ca 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.40 1j2o s GLY 73 CO 0.26 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.11 1j2o n GLY 74 N 3.27 1.91 3.22 0.20 0.00 -1.26 -0.41 105.19 112.12 1j2o n GLY 74 Ca -0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.61 0.10 0.33 1.61 2.15 -1.26 -5.07 116.67 112.92 1j2o s ASP 75 Ca 0.00 -0.66 -0.16 0.00 0.43 0.00 0.00 52.55 52.16 1j2o s ASP 75 Cb 0.00 0.35 -0.09 0.00 -0.30 0.00 0.00 42.92 42.88 1j2o s ASP 75 CO 0.00 -0.75 0.77 -0.69 -0.17 0.00 0.00 175.17 174.33 1j2o s VAL 76 N -3.87 4.63 -0.65 1.11 1.01 -1.26 -4.85 120.40 116.51 1j2o s VAL 76 Ca 0.06 1.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 1j2o s VAL 76 Cb 0.05 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1j2o s VAL 76 CO -0.10 -0.18 2.00 -0.04 0.00 0.00 0.00 175.10 176.78 1j2o s MET 77 N -2.95 2.46 0.00 2.72 -1.94 -1.26 -4.59 119.30 113.74 1j2o s MET 77 Ca 0.55 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 1j2o s MET 77 Cb -0.10 -4.56 0.00 0.00 2.01 0.00 0.00 34.83 32.18 1j2o s MET 77 CO 0.17 -3.03 0.00 1.55 -0.01 0.00 0.00 175.02 173.70 1j2o n VAL 78 N 7.54 0.00 -0.54 -6.03 3.14 -1.26 -4.61 118.33 116.57 1j2o n VAL 78 Ca 0.28 -0.09 0.09 0.00 -2.96 0.00 0.00 64.34 61.66 1j2o n VAL 78 Cb 0.51 0.54 0.29 0.00 -1.06 0.00 0.00 33.84 34.13 1j2o n VAL 78 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1j2o n VAL 79 N -1.17 1.60 0.00 1.55 0.24 -1.26 -4.97 118.33 114.32 1j2o n VAL 79 Ca 0.00 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 1j2o n VAL 79 Cb 0.00 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1j2o n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j2o n GLY 80 N 0.83 1.79 2.71 7.63 0.00 -1.26 -4.71 105.19 112.17 1j2o n GLY 80 Ca 0.22 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 1.40 0.00 1.61 1.03 -1.26 -4.94 118.70 116.54 1j2o s GLU 81 Ca 0.00 -2.19 0.00 0.00 0.03 0.00 0.00 54.97 52.81 1j2o s GLU 81 Cb 0.00 -2.40 0.00 0.00 -0.80 0.00 0.00 34.13 30.93 1j2o s GLU 81 CO 0.00 -1.20 0.00 -0.35 -1.33 0.00 0.00 175.26 172.38 1j2o n PRO 82 N 3.28 2.32 -4.23 -4.83 -0.04 -1.26 -5.08 135.00 125.15 1j2o n PRO 82 Ca 0.12 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.23 1j2o n PRO 82 Cb 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.73 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 1.43 4.64 -0.40 0.52 -4.23 -1.26 -5.08 115.64 111.26 1j2o s THR 83 Ca 0.00 -0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1j2o s THR 83 Cb 0.00 -2.98 0.10 0.00 1.34 0.00 0.00 72.50 70.95 1j2o s THR 83 CO 0.00 0.59 0.20 -1.48 -0.54 0.00 0.00 174.62 173.38 1j2o s LEU 84 N -0.99 5.07 0.00 4.79 2.34 -1.26 -4.23 118.68 124.40 1j2o s LEU 84 Ca 0.14 -1.81 0.23 0.00 0.06 0.00 0.00 54.13 52.76 1j2o s LEU 84 Cb -0.12 -1.86 0.56 0.00 -0.56 0.00 0.00 46.19 44.22 1j2o s LEU 84 CO 0.04 -0.51 1.49 0.80 -1.06 0.00 0.00 176.35 177.10 1j2o n MET 85 N 4.68 2.63 0.00 1.48 1.56 0.45 -4.83 117.12 123.09 1j2o n MET 85 Ca -0.06 -2.51 0.00 0.00 -0.27 0.00 0.00 57.70 54.86 1j2o n MET 85 Cb 0.42 -1.55 0.00 0.00 2.15 0.00 0.00 33.22 34.24 1j2o n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1j2o n GLY 86 N 1.61 1.44 3.67 -5.12 0.00 -1.25 -4.73 105.19 100.81 1j2o n GLY 86 Ca 0.23 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1j2o n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j2o s GLY 87 N -0.33 1.70 -1.13 -0.02 0.00 0.24 -4.83 107.32 102.95 1j2o s GLY 87 Ca 0.00 0.66 -0.18 0.00 0.00 0.00 0.00 44.72 45.20 1j2o s GLY 87 CO 0.00 2.60 1.45 -0.54 0.00 0.00 0.00 173.10 176.61 1j2o s GLU 88 N 3.29 3.84 0.63 2.90 2.02 -1.26 -4.63 118.70 125.49 1j2o s GLU 88 Ca 0.61 -1.92 -0.16 0.00 0.02 0.00 0.00 54.97 53.52 1j2o s GLU 88 Cb -0.26 -5.23 -0.01 0.00 0.10 0.00 0.00 34.13 28.73 1j2o s GLU 88 CO 0.21 -2.00 1.12 -0.06 0.02 0.00 0.00 175.26 174.54 1j2o s PHE 89 N 3.29 2.63 -0.49 1.61 0.08 -1.26 -5.02 117.98 118.82 1j2o s PHE 89 Ca 0.44 1.55 0.03 0.00 0.12 0.00 0.00 56.93 59.07 1j2o s PHE 89 Cb -0.01 -3.20 0.14 0.00 -0.57 0.00 0.00 43.02 39.38 1j2o s PHE 89 CO -0.02 -1.67 0.29 0.20 -0.10 0.00 0.00 175.22 173.92 1j2o s GLY 90 N -2.38 1.96 0.05 4.36 0.00 -1.26 -5.00 107.32 105.04 1j2o s GLY 90 Ca 0.68 -2.89 -0.26 0.00 0.00 0.00 0.00 44.72 42.26 1j2o s GLY 90 CO 0.38 1.42 1.39 1.29 0.00 0.00 0.00 173.10 177.59 1j2o h ASP 91 N 6.41 -0.85 1.47 1.64 2.03 -1.92 0.05 116.42 125.26 1j2o h ASP 91 Ca 0.02 0.04 -0.09 0.00 -0.73 0.00 0.00 57.03 56.27 1j2o h ASP 91 Cb 0.89 0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1j2o h ASP 91 CO 0.54 -0.55 -0.42 -0.33 -1.03 0.00 0.00 179.24 177.45 1j2o h GLU 92 N -0.89 0.00 0.00 4.15 5.08 -1.88 -3.18 114.58 117.86 1j2o h GLU 92 Ca -0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1j2o h GLU 92 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1j2o h GLU 92 CO 0.11 0.42 -0.29 0.22 -1.00 0.00 0.00 179.01 178.47 1j2o h ASP 93 N 0.00 0.00 0.00 1.42 3.58 -1.93 -3.40 116.42 116.09 1j2o h ASP 93 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1j2o h ASP 93 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1j2o h ASP 93 CO 0.06 0.29 0.00 -0.62 -2.88 0.00 0.00 179.24 176.08 1j2o n GLU 94 N -3.83 0.00 -4.18 0.28 -0.58 -0.00 -5.03 120.64 107.30 1j2o n GLU 94 Ca -0.01 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.62 1j2o n GLU 94 Cb 0.37 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.14 1j2o n GLU 94 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1j2o s ARG 95 N 0.00 0.88 0.32 3.49 6.06 -1.11 -5.06 118.95 123.52 1j2o s ARG 95 Ca 0.00 -1.37 0.00 0.00 -2.50 0.00 0.00 55.73 51.86 1j2o s ARG 95 Cb 0.00 -0.18 -0.00 0.00 0.06 0.00 0.00 34.95 34.83 1j2o s ARG 95 CO 0.00 -0.05 0.01 1.28 -2.50 0.00 0.00 175.30 174.04 1j2o n LEU 96 N -0.07 0.00 -3.75 -0.88 4.77 -1.26 -4.29 117.00 111.51 1j2o n LEU 96 Ca -0.11 -2.02 -0.12 0.00 -0.03 0.00 0.00 56.01 53.73 1j2o n LEU 96 Cb 0.61 0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 41.87 1j2o n LEU 96 CO 0.31 -0.29 -0.07 0.27 -1.33 0.00 0.00 177.39 176.28 1j2o s ILE 97 N -2.21 -0.02 -0.15 -0.08 -4.36 -1.26 -4.13 121.20 108.99 1j2o s ILE 97 Ca 0.02 0.06 -0.02 0.00 -0.26 0.00 0.00 60.65 60.45 1j2o s ILE 97 Cb 0.00 -0.41 -0.02 0.00 1.25 0.00 0.00 42.46 43.28 1j2o s ILE 97 CO 0.01 0.03 -0.08 -0.89 0.24 0.00 0.00 174.94 174.25 1j2o s THR 98 N 0.68 3.49 -0.53 8.37 2.01 -0.46 -4.26 115.64 124.94 1j2o s THR 98 Ca -0.04 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 1j2o s THR 98 Cb -0.06 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 69.98 1j2o s THR 98 CO -0.04 0.50 0.88 -0.13 -0.69 0.00 0.00 174.62 175.14 1j2o s ARG 99 N 0.48 3.33 0.48 4.92 0.52 -1.26 -0.74 118.95 126.68 1j2o s ARG 99 Ca -0.06 -0.29 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 1j2o s ARG 99 Cb -0.15 -4.04 0.02 0.00 0.52 0.00 0.00 34.95 31.31 1j2o s ARG 99 CO 0.03 -1.39 0.53 -1.17 0.02 0.00 0.00 175.30 173.32 1j2o s LEU 100 N 3.70 3.23 -0.20 2.53 2.96 0.63 -4.90 118.68 126.63 1j2o s LEU 100 Ca 0.29 -0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 53.31 1j2o s LEU 100 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1j2o s LEU 100 CO 0.19 -0.94 0.08 -1.61 -1.32 0.00 0.00 176.35 172.75 1j2o s GLU 101 N -4.34 3.96 0.00 1.98 2.02 -1.26 -2.07 118.70 118.98 1j2o s GLU 101 Ca 0.50 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1j2o s GLU 101 Cb -0.05 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1j2o s GLU 101 CO 0.30 0.17 0.34 -1.71 0.02 0.00 0.00 175.26 174.38 1j2o n ASN 102 N 3.87 0.00 0.00 -0.19 2.85 -0.43 -5.00 115.26 116.36 1j2o n ASN 102 Ca -0.16 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 1j2o n ASN 102 Cb 0.52 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.30 1j2o n ASN 102 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1j2o n THR 103 N -1.21 0.00 -3.43 -0.44 -1.04 -1.26 -5.08 114.28 101.81 1j2o n THR 103 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1j2o n THR 103 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1j2o n THR 103 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1j2o s GLN 104 N 3.19 0.74 0.00 -2.82 -0.21 -1.26 -4.97 119.66 114.33 1j2o s GLN 104 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 55.36 53.64 1j2o s GLN 104 Cb 0.00 -1.37 0.00 0.00 1.00 0.00 0.00 33.01 32.64 1j2o s GLN 104 CO 0.00 -1.30 0.31 1.19 -2.12 0.00 0.00 175.29 173.37 1j2o n PHE 105 N 3.41 0.00 0.00 0.91 3.72 -1.26 -4.84 117.46 119.40 1j2o n PHE 105 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1j2o n PHE 105 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1j2o n PHE 105 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1j2o n ASP 106 N -0.42 0.00 -0.09 4.37 2.03 -1.26 -4.91 116.55 116.27 1j2o n ASP 106 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1j2o n ASP 106 Cb 0.00 -0.22 -0.11 0.00 -0.72 0.00 0.00 41.12 40.07 1j2o n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n ALA 107 N -2.38 1.58 0.00 -1.67 0.00 -1.26 -4.98 120.51 111.79 1j2o n ALA 107 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1j2o n ALA 107 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.88 0.00 1.02 0.00 0.00 -1.26 -2.86 120.51 114.53 1j2o n ALA 108 Ca -0.32 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.24 1j2o n ALA 108 Cb 0.95 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.73 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 1.00 2.23 -4.99 0.00 5.15 -1.26 -4.91 115.26 112.47 1j2o n ASN 109 Ca 0.00 -1.78 -0.18 0.00 -0.60 0.00 0.00 54.58 52.02 1j2o n ASN 109 Cb 0.00 -0.11 -0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1j2o n ASN 109 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1j2o s GLY 110 N -1.66 1.76 0.06 8.20 0.00 -1.13 -5.02 107.32 109.52 1j2o s GLY 110 Ca 0.34 -1.57 0.14 0.00 0.00 0.00 0.00 44.72 43.63 1j2o s GLY 110 CO 0.29 -1.44 0.90 -2.22 0.00 0.00 0.00 173.10 170.63 1j2o h ILE 111 N 0.81 0.85 -0.97 0.90 2.04 -1.93 -3.37 117.51 115.84 1j2o h ILE 111 Ca -0.43 -2.49 -0.65 0.00 1.00 0.00 0.00 64.86 62.29 1j2o h ILE 111 Cb 1.27 2.34 -0.12 0.00 -0.74 0.00 0.00 36.82 39.56 1j2o h ILE 111 CO 0.50 0.48 1.88 -0.67 0.00 0.00 0.00 178.15 180.34 1j2o n ASP 112 N -3.05 7.57 -4.60 1.72 2.03 -1.26 -4.92 116.55 114.05 1j2o n ASP 112 Ca -0.10 -3.08 -0.41 0.00 0.52 0.00 0.00 54.79 51.72 1j2o n ASP 112 Cb 0.92 -1.35 -0.06 0.00 -0.72 0.00 0.00 41.12 39.91 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 0.61 6.53 0.00 1.67 2.15 -1.26 -4.48 116.67 121.89 1j2o s ASP 113 Ca 0.57 0.43 0.09 0.00 0.43 0.00 0.00 52.55 54.07 1j2o s ASP 113 Cb 0.24 -2.35 0.07 0.00 -0.30 0.00 0.00 42.92 40.58 1j2o s ASP 113 CO -0.12 -0.56 0.77 1.21 -0.17 0.00 0.00 175.17 176.30