#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 6.82 0.76 1.61 0.01 -1.26 -5.00 113.70 116.64 1j2o s SER 2 Ca 0.00 2.03 -0.12 0.00 1.31 0.00 0.00 55.95 59.17 1j2o s SER 2 Cb 0.00 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.73 1j2o s SER 2 CO 0.00 -0.80 1.13 -0.76 0.41 0.00 0.00 173.24 173.22 1j2o s LEU 3 N 3.24 2.70 0.33 2.44 1.43 -1.26 -4.99 118.68 122.57 1j2o s LEU 3 Ca 0.64 1.03 0.09 0.00 -1.03 0.00 0.00 54.13 54.86 1j2o s LEU 3 Cb -0.29 -3.68 -0.06 0.00 0.03 0.00 0.00 46.19 42.18 1j2o s LEU 3 CO 0.24 -1.65 -0.09 -0.76 0.23 0.00 0.00 176.35 174.32 1j2o s LEU 4 N -5.51 2.69 -0.06 1.79 1.02 -1.25 -5.01 118.68 112.35 1j2o s LEU 4 Ca 0.60 -1.20 0.03 0.00 0.02 0.00 0.00 54.13 53.59 1j2o s LEU 4 Cb -0.12 -0.94 0.00 0.00 0.02 0.00 0.00 46.19 45.16 1j2o s LEU 4 CO 0.51 -0.22 -0.16 0.42 0.02 0.00 0.00 176.35 176.91 1j2o s THR 5 N -2.67 1.43 0.31 5.49 -4.23 -1.26 0.44 115.64 115.14 1j2o s THR 5 Ca 0.32 -0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 59.99 1j2o s THR 5 Cb 0.03 -1.25 -0.09 0.00 1.34 0.00 0.00 72.50 72.52 1j2o s THR 5 CO 0.16 0.42 0.75 0.00 -0.54 0.00 0.00 174.62 175.40 1j2o n GLY 7 N -0.12 0.44 0.11 0.00 0.00 -0.62 -1.93 105.19 103.07 1j2o n GLY 7 Ca 0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 1.22 -0.75 0.02 -0.02 0.00 -1.26 -4.70 105.19 99.70 1j2o n GLY 8 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.98 -1.41 -0.28 0.00 7.27 -0.81 -4.87 117.38 115.30 1j2o n GLN 10 Ca -0.06 0.99 0.07 0.00 0.07 0.00 0.00 57.00 58.07 1j2o n GLN 10 Cb 0.43 -5.44 0.20 0.00 2.41 0.00 0.00 30.24 27.85 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 -2.66 2.25 -0.35 3.69 10.64 -1.26 -4.85 117.38 124.83 1j2o n GLN 11 Ca -0.21 -1.65 0.00 0.00 -1.83 0.00 0.00 57.00 53.32 1j2o n GLN 11 Cb 0.65 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 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 0.73 -3.10 -4.52 2.61 5.15 -1.26 -4.89 115.26 109.98 1j2o n ASN 12 Ca 0.15 0.26 -0.43 0.00 -0.60 0.00 0.00 54.58 53.96 1j2o n ASN 12 Cb 0.45 -0.19 -0.05 0.00 -0.53 0.00 0.00 39.78 39.46 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 -1.64 4.56 -0.35 -1.44 1.01 0.17 -4.84 121.20 118.66 1j2o s ILE 13 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 60.65 61.04 1j2o s ILE 13 Cb 0.00 -4.42 0.45 0.00 0.01 0.00 0.00 42.46 38.50 1j2o s ILE 13 CO 0.00 -0.91 1.35 0.61 0.00 0.00 0.00 174.94 175.99 1j2o n GLY 14 N 5.07 3.76 3.85 6.18 0.00 -1.26 -3.96 105.19 118.83 1j2o n GLY 14 Ca 0.01 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.75 3.22 -0.05 1.61 1.01 -1.26 -5.00 116.67 114.45 1j2o s ASP 15 Ca 0.36 0.56 0.11 0.00 0.71 0.00 0.00 52.55 54.29 1j2o s ASP 15 Cb 0.28 -0.83 -0.23 0.00 1.01 0.00 0.00 42.92 43.15 1j2o s ASP 15 CO 0.10 -2.69 0.65 -2.11 0.21 0.00 0.00 175.17 171.32 1j2o n ARG 16 N -3.79 0.64 -4.30 8.23 1.85 -1.26 -4.68 116.66 113.35 1j2o n ARG 16 Ca 0.12 0.30 -0.18 0.00 -1.00 0.00 0.00 57.85 57.09 1j2o n ARG 16 Cb 0.60 -1.79 -0.14 0.00 -1.05 0.00 0.00 32.46 30.07 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 -2.60 0.78 0.29 2.89 5.04 -1.26 -2.12 117.35 120.37 1j2o s TYR 17 Ca -0.06 -0.19 -0.02 0.00 -2.44 0.00 0.00 57.07 54.37 1j2o s TYR 17 Cb 0.08 -0.49 0.01 0.00 0.35 0.00 0.00 41.96 41.90 1j2o s TYR 17 CO 0.82 -0.01 0.40 1.97 -1.34 0.00 0.00 175.55 177.39 1j2o n PHE 18 N 2.66 -1.28 -4.59 4.97 -1.74 -0.54 -4.78 117.46 112.16 1j2o n PHE 18 Ca -0.15 -1.91 -0.25 0.00 -0.56 0.00 0.00 57.45 54.59 1j2o n PHE 18 Cb 0.57 0.46 -0.14 0.00 1.52 0.00 0.00 39.48 41.88 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 2.17 -0.22 5.98 1.43 -1.25 -0.42 118.68 126.37 1j2o s LEU 19 Ca 0.23 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 1j2o s LEU 19 Cb -0.01 -0.93 0.08 0.00 0.03 0.00 0.00 46.19 45.36 1j2o s LEU 19 CO 0.17 0.14 0.75 -1.59 0.23 0.00 0.00 176.35 176.05 1j2o s LYS 20 N -1.20 0.85 0.24 1.70 0.00 -1.12 -0.82 119.74 119.38 1j2o s LYS 20 Ca 0.07 0.78 0.00 0.00 0.00 0.00 0.00 55.97 56.82 1j2o s LYS 20 Cb -0.09 0.41 0.00 0.00 0.00 0.00 0.00 37.83 38.15 1j2o s LYS 20 CO 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 175.35 175.22 1j2o n ALA 21 N 2.21 0.00 -0.26 0.59 0.00 -1.17 -2.76 120.51 119.12 1j2o n ALA 21 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 1j2o n ALA 21 Cb 0.56 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.07 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 0.19 0.00 0.00 2.04 -1.98 -3.42 117.51 114.34 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 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 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 -5.49 0.00 -0.91 1.72 2.03 -1.26 -5.04 116.55 107.61 1j2o n ASP 23 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1j2o n ASP 23 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.37 -3.95 -0.67 0.00 -1.26 -5.16 117.38 106.70 1j2o n GLN 24 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.00 56.73 1j2o n GLN 24 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 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 -1.60 3.47 0.11 2.61 2.02 -1.26 -3.04 117.35 119.65 1j2o s TYR 25 Ca 0.00 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 1j2o s TYR 25 Cb 0.00 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1j2o s TYR 25 CO 0.00 0.53 0.09 0.91 -1.57 0.00 0.00 175.55 175.51 1j2o n TRP 26 N -0.34 -0.28 -3.99 2.71 7.02 -0.00 -1.59 117.44 120.97 1j2o n TRP 26 Ca -0.07 -0.90 -0.23 0.00 -1.02 0.00 0.00 57.50 55.29 1j2o n TRP 26 Cb 0.53 0.10 -0.06 0.00 -2.42 0.00 0.00 31.31 29.46 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 -2.51 2.70 0.13 -5.99 3.76 -1.26 -3.81 115.29 108.33 1j2o s HIS 27 Ca 0.13 -0.44 -0.19 0.00 -0.15 0.00 0.00 55.06 54.41 1j2o s HIS 27 Cb 0.01 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 1j2o s HIS 27 CO 0.09 0.21 1.77 0.93 -0.85 0.00 0.00 174.74 176.89 1j2o h GLU 28 N 1.40 0.27 -0.01 1.40 4.39 -1.88 -2.90 114.58 117.26 1j2o h GLU 28 Ca -0.43 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1j2o h GLU 28 Cb 1.25 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1j2o h GLU 28 CO 0.63 0.18 -0.38 -3.47 -1.16 0.00 0.00 179.01 174.82 1j2o n ASP 29 N -4.96 1.85 0.06 1.42 -0.08 -1.26 -4.41 116.55 109.16 1j2o n ASP 29 Ca -0.02 -1.42 -0.21 0.00 -1.51 0.00 0.00 54.79 51.63 1j2o n ASP 29 Cb 0.05 0.45 -0.14 0.00 2.34 0.00 0.00 41.12 43.83 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j2o n LEU 31 N -4.01 5.66 0.00 0.00 7.94 -1.10 -4.75 117.00 120.74 1j2o n LEU 31 Ca -0.14 -3.17 0.00 0.00 -1.11 0.00 0.00 56.01 51.59 1j2o n LEU 31 Cb 0.87 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1j2o n LEU 31 CO 0.52 1.22 0.00 -1.20 -1.11 0.00 0.00 177.39 176.82 1j2o n SER 32 N 3.47 1.10 -4.70 1.96 7.64 -1.25 -4.71 113.62 117.12 1j2o n SER 32 Ca 0.50 -0.15 -0.57 0.00 1.01 0.00 0.00 58.87 59.66 1j2o n SER 32 Cb 0.36 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 1j2o n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j2o h ASP 34 N 6.80 0.00 0.89 0.00 1.82 -1.91 -2.58 116.42 121.44 1j2o h ASP 34 Ca -0.47 -0.34 -0.04 0.00 -0.39 0.00 0.00 57.03 55.79 1j2o h ASP 34 Cb 1.32 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.34 1j2o h ASP 34 CO 0.94 0.96 -0.43 0.25 -1.61 0.00 0.00 179.24 179.35 1j2o h LEU 35 N -1.00 -1.01 0.21 2.28 5.85 -1.90 -3.36 115.31 116.39 1j2o h LEU 35 Ca -0.10 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1j2o h LEU 35 Cb 0.72 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1j2o h LEU 35 CO -0.06 -0.66 -0.10 0.00 -0.34 0.00 0.00 178.44 177.27 1j2o n GLY 37 N 0.70 1.55 0.00 0.00 0.00 -0.97 -5.06 105.19 101.41 1j2o n GLY 37 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.90 0.86 -0.01 0.00 0.52 -1.26 -4.30 118.95 115.66 1j2o s ARG 39 Ca 0.00 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1j2o s ARG 39 Cb 0.00 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.87 1j2o s ARG 39 CO 0.00 -0.37 -0.04 -0.51 0.02 0.00 0.00 175.30 174.40 1j2o s LEU 40 N -2.44 1.83 0.00 2.53 1.43 -1.26 -4.65 118.68 116.13 1j2o s LEU 40 Ca 0.04 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1j2o s LEU 40 Cb -0.01 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.95 1j2o s LEU 40 CO -0.09 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1j2o n GLY 41 N 3.22 -1.81 0.00 -3.19 0.00 -1.25 -4.83 105.19 97.33 1j2o n GLY 41 Ca -0.16 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 0.00 -3.94 1.61 1.02 -1.11 -4.71 120.64 113.51 1j2o n GLU 42 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1j2o n GLU 42 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 1j2o n GLU 42 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1j2o s VAL 43 N 0.00 0.17 0.00 2.62 -7.23 0.11 -3.78 120.40 112.30 1j2o s VAL 43 Ca 0.00 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1j2o s VAL 43 Cb 0.00 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.71 1j2o s VAL 43 CO 0.00 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 1j2o n GLY 44 N 3.83 2.31 1.88 2.32 0.00 -1.26 -1.74 105.19 112.53 1j2o n GLY 44 Ca -0.23 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1j2o n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1j2o n ARG 45 N 0.00 0.00 -2.84 1.61 1.85 -1.24 0.67 116.66 116.71 1j2o n ARG 45 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1j2o n ARG 45 Cb 0.00 -0.01 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1j2o n ARG 45 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1j2o n ARG 46 N -2.59 1.44 -4.34 2.89 1.74 -1.26 -4.39 116.66 110.15 1j2o n ARG 46 Ca 0.00 -1.37 -0.29 0.00 -0.77 0.00 0.00 57.85 55.41 1j2o n ARG 46 Cb 0.00 0.31 -0.12 0.00 -1.02 0.00 0.00 32.46 31.63 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 0.00 2.60 0.06 0.55 0.20 -1.24 -0.31 118.68 120.54 1j2o s LEU 47 Ca 0.03 -0.60 0.08 0.00 0.69 0.00 0.00 54.13 54.33 1j2o s LEU 47 Cb -0.00 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.26 1j2o s LEU 47 CO 0.02 0.18 -0.19 -0.31 -0.29 0.00 0.00 176.35 175.76 1j2o s TYR 48 N -1.11 2.52 0.02 5.38 2.02 0.25 -4.87 117.35 121.56 1j2o s TYR 48 Ca 0.17 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.37 1j2o s TYR 48 Cb -0.10 -1.43 0.05 0.00 -0.40 0.00 0.00 41.96 40.08 1j2o s TYR 48 CO 0.09 0.27 0.51 1.52 -1.57 0.00 0.00 175.55 176.37 1j2o s TYR 49 N -0.96 -0.42 0.56 2.71 1.13 -1.26 -4.60 117.35 114.52 1j2o s TYR 49 Ca 0.15 0.55 0.01 0.00 -1.41 0.00 0.00 57.07 56.36 1j2o s TYR 49 Cb -0.10 0.31 0.03 0.00 -1.10 0.00 0.00 41.96 41.10 1j2o s TYR 49 CO 0.06 -0.59 0.79 0.15 -2.51 0.00 0.00 175.55 173.44 1j2o s LYS 50 N -2.03 2.52 0.04 -3.49 1.02 0.11 -4.90 119.74 113.00 1j2o s LYS 50 Ca -0.08 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 1j2o s LYS 50 Cb -0.01 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1j2o s LYS 50 CO 0.01 -0.74 0.45 1.28 -0.92 0.00 0.00 175.35 175.43 1j2o n LEU 51 N -2.37 -0.24 -0.10 3.17 4.32 -1.26 -2.01 117.00 118.50 1j2o n LEU 51 Ca 0.08 0.50 0.05 0.00 -0.02 0.00 0.00 56.01 56.62 1j2o n LEU 51 Cb 0.60 -0.10 0.07 0.00 -1.62 0.00 0.00 43.42 42.37 1j2o n LEU 51 CO 0.45 -0.38 0.48 0.61 -1.22 0.00 0.00 177.39 177.34 1j2o n GLY 52 N -1.06 3.22 3.33 -0.72 0.00 -1.26 -5.03 105.19 103.67 1j2o n GLY 52 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.77 0.49 -1.39 1.61 1.70 -0.85 -5.04 118.95 113.69 1j2o s ARG 53 Ca 0.17 0.68 -0.13 0.00 -0.47 0.00 0.00 55.73 55.97 1j2o s ARG 53 Cb 0.15 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1j2o s ARG 53 CO 0.02 -0.09 2.42 0.36 -1.08 0.00 0.00 175.30 176.92 1j2o n LYS 54 N 3.26 2.91 -2.29 3.89 2.85 -1.26 0.06 118.16 127.59 1j2o n LYS 54 Ca -0.16 -2.30 -0.32 0.00 -1.05 0.00 0.00 58.31 54.48 1j2o n LYS 54 Cb 0.57 -3.03 -0.02 0.00 -0.65 0.00 0.00 35.03 31.89 1j2o n LYS 54 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1j2o s LEU 55 N 1.29 3.55 0.33 -5.58 0.20 -1.26 -4.15 118.68 113.05 1j2o s LEU 55 Ca 0.55 1.56 -0.29 0.00 0.69 0.00 0.00 54.13 56.64 1j2o s LEU 55 Cb 0.15 -4.50 -0.10 0.00 -0.43 0.00 0.00 46.19 41.30 1j2o s LEU 55 CO -0.05 -0.67 1.38 0.00 -0.29 0.00 0.00 176.35 176.72 1j2o h ARG 57 N 3.63 0.00 -0.15 0.00 9.65 -1.91 -2.33 114.38 123.28 1j2o h ARG 57 Ca -0.49 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.31 1j2o h ARG 57 Cb 1.23 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1j2o h ARG 57 CO 0.68 0.27 -0.21 0.00 2.80 0.00 0.00 179.97 183.51 1j2o h ARG 58 N 0.00 0.41 0.00 0.20 2.47 -1.91 -0.08 114.38 115.47 1j2o h ARG 58 Ca -0.09 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1j2o h ARG 58 Cb 1.41 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 1j2o h ARG 58 CO 0.04 0.82 -0.13 -0.44 0.56 0.00 0.00 179.97 180.82 1j2o h ASP 59 N 0.04 0.00 0.65 7.04 3.32 -1.66 0.42 116.42 126.23 1j2o h ASP 59 Ca 0.02 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1j2o h ASP 59 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1j2o h ASP 59 CO 0.05 0.01 -0.68 0.22 -1.72 0.00 0.00 179.24 177.11 1j2o h TYR 60 N 0.00 0.03 0.00 4.55 5.03 -1.30 -3.34 116.97 121.94 1j2o h TYR 60 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1j2o h TYR 60 Cb 0.90 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.18 1j2o h TYR 60 CO 0.00 0.70 -0.30 1.25 -1.32 0.00 0.00 178.16 178.49 1j2o h LEU 61 N 0.02 0.00 0.00 2.82 5.85 -0.68 -3.50 115.31 119.81 1j2o h LEU 61 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1j2o h LEU 61 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1j2o h LEU 61 CO 0.09 0.56 0.00 -1.14 -0.34 0.00 0.00 178.44 177.61 1j2o n ARG 62 N -4.23 0.00 0.00 1.25 0.63 0.14 -5.00 116.66 109.46 1j2o n ARG 62 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1j2o n ARG 62 Cb 0.16 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.07 1j2o n ARG 62 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1j2o n LEU 63 N 0.00 1.29 -2.77 6.15 -0.00 -0.89 -3.86 117.00 116.92 1j2o n LEU 63 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1j2o n LEU 63 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.47 1j2o n LEU 63 CO 0.00 0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 1j2o n GLY 64 N 2.66 1.69 1.90 1.47 0.00 -1.21 -3.48 105.19 108.22 1j2o n GLY 64 Ca 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.46 1.04 2.69 -0.02 0.00 -1.23 -3.50 105.19 103.70 1j2o n GLY 65 Ca 0.06 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1j2o n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j2o n SER 66 N 1.94 7.15 0.00 1.61 3.41 -1.26 -4.58 113.62 121.89 1j2o n SER 66 Ca 0.01 -3.81 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 1j2o n SER 66 Cb 0.13 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1j2o n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2o n GLY 67 N -0.63 0.29 0.00 5.00 0.00 -1.25 -4.38 105.19 104.23 1j2o n GLY 67 Ca 0.54 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 0.00 0.96 0.00 -0.02 0.00 -1.21 -0.46 105.19 104.46 1j2o n GLY 68 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.07 1.61 -0.00 -1.00 -4.71 115.22 111.05 1j2o n HIS 69 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 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 -0.30 0.63 -1.34 1.57 2.81 -1.26 -4.35 117.12 114.87 1j2o n MET 70 Ca 0.00 0.47 -0.24 0.00 -1.81 0.00 0.00 57.70 56.12 1j2o n MET 70 Cb 0.00 -1.73 0.11 0.00 -0.71 0.00 0.00 33.22 30.89 1j2o n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j2o n GLY 71 N 1.60 5.51 3.58 3.03 0.00 -1.26 -4.96 105.19 112.69 1j2o n GLY 71 Ca -0.33 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 43.73 1j2o n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j2o s SER 72 N -2.25 -0.20 0.70 1.61 0.15 -1.26 -4.60 113.70 107.85 1j2o s SER 72 Ca 0.56 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1j2o s SER 72 Cb 0.46 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1j2o s SER 72 CO 0.02 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1j2o n GLY 73 N -0.02 -1.21 1.11 9.45 0.00 -1.25 -2.37 105.19 110.91 1j2o n GLY 73 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.03 3.87 -0.02 0.00 -1.26 -4.81 105.19 102.94 1j2o n GLY 74 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.35 6.31 -0.71 1.61 2.15 -1.26 -5.02 116.67 114.39 1j2o s ASP 75 Ca 0.00 1.41 -0.14 0.00 0.43 0.00 0.00 52.55 54.25 1j2o s ASP 75 Cb 0.00 -2.46 0.18 0.00 -0.30 0.00 0.00 42.92 40.34 1j2o s ASP 75 CO 0.00 -0.79 0.66 -0.69 -0.17 0.00 0.00 175.17 174.17 1j2o s VAL 76 N -3.04 5.41 0.70 1.11 1.01 -1.26 -4.79 120.40 119.53 1j2o s VAL 76 Ca 0.55 -2.11 -0.11 0.00 0.00 0.00 0.00 61.98 60.31 1j2o s VAL 76 Cb -0.11 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.89 1j2o s VAL 76 CO 0.49 -0.96 1.06 -0.04 0.00 0.00 0.00 175.10 175.65 1j2o s MET 77 N 0.70 2.93 0.00 2.72 1.00 -1.26 -4.99 119.30 120.40 1j2o s MET 77 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 55.69 56.68 1j2o s MET 77 Cb -0.18 -2.00 0.00 0.00 0.00 0.00 0.00 34.83 32.66 1j2o s MET 77 CO -0.04 -1.08 0.00 1.33 0.00 0.00 0.00 175.02 175.22 1j2o n VAL 78 N -3.11 0.00 -0.06 -6.03 0.24 0.21 -4.56 118.33 105.02 1j2o n VAL 78 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.24 1j2o n VAL 78 Cb 0.54 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.85 1j2o n VAL 78 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1j2o h VAL 79 N 0.00 1.33 0.00 3.34 2.07 -0.25 -3.39 116.25 119.35 1j2o h VAL 79 Ca 0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1j2o h VAL 79 Cb 0.00 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1j2o h VAL 79 CO 0.00 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1j2o n GLY 80 N 0.13 1.06 3.53 2.17 0.00 -1.25 -4.62 105.19 106.20 1j2o n GLY 80 Ca -0.05 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 1.39 0.26 1.61 -1.05 -0.71 -3.96 118.70 116.25 1j2o s GLU 81 Ca 0.00 -0.73 -0.04 0.00 -0.15 0.00 0.00 54.97 54.05 1j2o s GLU 81 Cb 0.00 0.56 0.07 0.00 -0.44 0.00 0.00 34.13 34.32 1j2o s GLU 81 CO 0.00 -0.61 0.16 -2.30 0.95 0.00 0.00 175.26 173.46 1j2o n PRO 82 N -0.37 -2.48 -3.62 -4.83 -0.02 -1.26 0.09 135.00 122.52 1j2o n PRO 82 Ca -0.12 -0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.06 1j2o n PRO 82 Cb 0.63 -0.34 -0.02 0.00 -0.02 0.00 0.00 33.50 33.75 1j2o n PRO 82 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1j2o s THR 83 N -1.20 0.00 0.58 3.45 -1.32 -1.26 -4.57 115.64 111.32 1j2o s THR 83 Ca 0.12 -0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.67 1j2o s THR 83 Cb -0.02 -1.02 0.07 0.00 -1.51 0.00 0.00 72.50 70.03 1j2o s THR 83 CO 0.10 0.00 0.62 0.18 -2.21 0.00 0.00 174.62 173.31 1j2o n LEU 84 N -0.06 0.00 -0.02 9.08 4.77 0.39 -4.88 117.00 126.27 1j2o n LEU 84 Ca 0.02 -2.74 -0.19 0.00 -0.03 0.00 0.00 56.01 53.07 1j2o n LEU 84 Cb 0.57 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1j2o n LEU 84 CO 0.09 -0.65 -0.84 0.80 -1.33 0.00 0.00 177.39 175.46 1j2o n MET 85 N -2.05 0.73 -3.66 3.23 0.00 -1.26 -4.39 117.12 109.72 1j2o n MET 85 Ca 0.07 0.25 -0.08 0.00 -0.00 0.00 0.00 57.70 57.94 1j2o n MET 85 Cb 0.63 -1.70 -0.09 0.00 0.00 0.00 0.00 33.22 32.06 1j2o n MET 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1j2o s GLY 86 N -5.61 -0.40 0.00 -5.12 0.00 -1.26 -4.52 107.32 90.41 1j2o s GLY 86 Ca -0.21 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.11 1j2o s GLY 86 CO 0.76 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.90 1j2o n GLY 87 N 5.32 2.05 3.84 0.20 0.00 -1.26 -5.05 105.19 110.29 1j2o n GLY 87 Ca -0.10 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.37 4.01 0.00 1.61 8.01 -1.26 -3.75 118.70 126.95 1j2o s GLU 88 Ca 0.00 0.52 0.00 0.00 0.01 0.00 0.00 54.97 55.50 1j2o s GLU 88 Cb 0.00 -3.05 0.00 0.00 -4.31 0.00 0.00 34.13 26.77 1j2o s GLU 88 CO 0.00 0.55 0.00 1.19 0.01 0.00 0.00 175.26 177.01 1j2o n PHE 89 N 1.17 0.00 -0.56 1.61 3.72 -1.26 -4.90 117.46 117.23 1j2o n PHE 89 Ca -0.08 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.38 1j2o n PHE 89 Cb 0.52 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.16 1j2o n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j2o n GLY 90 N 1.92 3.84 0.00 1.37 0.00 -1.26 -4.65 105.19 106.41 1j2o n GLY 90 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.75 0.00 -0.01 1.61 5.68 -1.26 -4.96 116.55 116.86 1j2o n ASP 91 Ca 0.10 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1j2o n ASP 91 Cb 0.50 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 -0.31 -1.61 -1.40 0.11 1.02 -1.26 -4.81 120.64 112.36 1j2o n GLU 92 Ca 0.00 0.41 -0.10 0.00 -0.02 0.00 0.00 57.16 57.45 1j2o n GLU 92 Cb 0.00 -4.62 0.10 0.00 -0.02 0.00 0.00 31.44 26.90 1j2o n GLU 92 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1j2o n ASP 93 N -0.81 3.39 -0.02 1.62 2.03 -1.26 -4.07 116.55 117.44 1j2o n ASP 93 Ca -0.00 -3.76 -0.16 0.00 0.52 0.00 0.00 54.79 51.38 1j2o n ASP 93 Cb 0.41 -0.43 -0.13 0.00 -0.72 0.00 0.00 41.12 40.25 1j2o n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1j2o h GLU 94 N 1.65 0.14 -3.73 -0.67 4.81 -1.86 -3.28 114.58 111.63 1j2o h GLU 94 Ca 0.19 -0.22 -0.39 0.00 -0.13 0.00 0.00 59.36 58.80 1j2o h GLU 94 Cb 1.30 0.08 -0.36 0.00 0.63 0.00 0.00 28.75 30.40 1j2o h GLU 94 CO 0.40 1.07 -0.76 1.03 -0.73 0.00 0.00 179.01 180.03 1j2o s ARG 95 N -2.47 0.48 0.19 1.92 1.81 0.58 0.87 118.95 122.34 1j2o s ARG 95 Ca -0.16 0.08 0.09 0.00 -1.72 0.00 0.00 55.73 54.02 1j2o s ARG 95 Cb -0.01 -0.74 -0.04 0.00 -0.45 0.00 0.00 34.95 33.71 1j2o s ARG 95 CO 0.75 -0.20 -0.18 -0.48 -0.68 0.00 0.00 175.30 174.51 1j2o s LEU 96 N 1.46 2.48 -0.16 2.53 0.05 -1.01 -3.69 118.68 120.34 1j2o s LEU 96 Ca -0.03 -0.92 -0.28 0.00 0.05 0.00 0.00 54.13 52.95 1j2o s LEU 96 Cb -0.13 -0.85 0.07 0.00 -2.05 0.00 0.00 46.19 43.23 1j2o s LEU 96 CO -0.03 -0.05 0.70 0.27 -0.55 0.00 0.00 176.35 176.69 1j2o s ILE 97 N -2.29 0.00 -0.12 1.48 -5.25 -1.26 -4.70 121.20 109.06 1j2o s ILE 97 Ca 0.19 -0.00 0.03 0.00 -0.99 0.00 0.00 60.65 59.88 1j2o s ILE 97 Cb -0.05 -1.00 0.01 0.00 2.95 0.00 0.00 42.46 44.38 1j2o s ILE 97 CO 0.08 -0.00 -0.20 -0.89 -1.79 0.00 0.00 174.94 172.13 1j2o s THR 98 N -0.42 1.89 -0.21 8.37 2.01 -1.11 -5.01 115.64 121.16 1j2o s THR 98 Ca -0.06 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 1j2o s THR 98 Cb -0.02 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.81 1j2o s THR 98 CO 0.06 0.52 1.21 -0.13 -0.69 0.00 0.00 174.62 175.58 1j2o s ARG 99 N 0.75 4.18 0.34 4.92 1.81 -1.26 -2.79 118.95 126.90 1j2o s ARG 99 Ca -0.10 1.50 0.09 0.00 -1.72 0.00 0.00 55.73 55.49 1j2o s ARG 99 Cb -0.16 -3.75 -0.05 0.00 -0.45 0.00 0.00 34.95 30.54 1j2o s ARG 99 CO 0.01 -0.77 0.07 -1.17 -0.68 0.00 0.00 175.30 172.76 1j2o s LEU 100 N 3.58 3.10 -0.08 2.53 2.96 0.44 -4.99 118.68 126.23 1j2o s LEU 100 Ca 0.52 -0.90 0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1j2o s LEU 100 Cb -0.19 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1j2o s LEU 100 CO 0.14 -0.27 -0.23 -1.83 -1.32 0.00 0.00 176.35 172.84 1j2o s GLU 101 N -3.77 2.78 0.00 1.98 -1.05 -1.26 -1.47 118.70 115.91 1j2o s GLU 101 Ca 0.36 -0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 54.31 1j2o s GLU 101 Cb -0.01 -2.26 -0.01 0.00 -0.44 0.00 0.00 34.13 31.41 1j2o s GLU 101 CO 0.21 0.32 0.93 -0.97 0.95 0.00 0.00 175.26 176.70 1j2o h ASN 102 N 6.28 -0.03 0.00 0.83 -0.73 -1.63 -3.49 115.58 116.81 1j2o h ASN 102 Ca -0.28 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1j2o h ASN 102 Cb 1.20 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.79 1j2o h ASN 102 CO 0.48 -0.02 0.00 0.35 -0.37 0.00 0.00 177.43 177.87 1j2o n THR 103 N -2.10 0.00 -3.16 -3.57 -2.24 -1.24 -4.90 114.28 97.08 1j2o n THR 103 Ca -0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1j2o n THR 103 Cb 0.01 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1j2o n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j2o s GLN 104 N 1.39 0.65 0.17 -0.78 -2.07 -1.26 -4.39 119.66 113.36 1j2o s GLN 104 Ca 0.00 0.08 -0.16 0.00 -1.82 0.00 0.00 55.36 53.46 1j2o s GLN 104 Cb 0.00 0.15 0.15 0.00 -1.09 0.00 0.00 33.01 32.21 1j2o s GLN 104 CO 0.00 -1.03 1.21 0.34 -1.32 0.00 0.00 175.29 174.49 1j2o n PHE 105 N 4.79 -0.04 -0.31 9.60 -0.00 -1.16 -0.19 117.46 130.14 1j2o n PHE 105 Ca 0.08 0.96 0.08 0.00 -0.00 0.00 0.00 57.45 58.58 1j2o n PHE 105 Cb 0.56 -0.75 0.17 0.00 -0.00 0.00 0.00 39.48 39.46 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 -5.12 -0.24 -0.58 -2.13 -0.08 -1.26 -0.83 116.55 106.31 1j2o n ASP 106 Ca 0.07 1.48 0.06 0.00 -1.51 0.00 0.00 54.79 54.89 1j2o n ASP 106 Cb 0.29 -0.48 0.14 0.00 2.34 0.00 0.00 41.12 43.42 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 -3.52 2.94 -2.38 -1.67 0.00 -0.74 -5.05 120.51 110.09 1j2o n ALA 107 Ca 0.16 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1j2o n ALA 107 Cb 0.51 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.87 0.00 -2.54 0.00 0.00 0.73 -4.93 120.51 112.90 1j2o n ALA 108 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1j2o n ALA 108 Cb 0.75 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.22 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 2.89 0.00 0.00 5.15 -1.25 -4.26 115.26 117.78 1j2o n ASN 109 Ca 0.00 -2.95 0.00 0.00 -0.60 0.00 0.00 54.58 51.03 1j2o n ASN 109 Cb 0.00 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 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 -0.43 2.44 0.08 8.20 0.00 -1.26 -3.73 105.19 110.49 1j2o n GLY 110 Ca 0.22 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 1.45 -4.31 -0.61 5.41 -1.26 -3.38 119.36 116.66 1j2o n ILE 111 Ca 0.00 0.19 -0.16 0.00 1.00 0.00 0.00 62.75 63.77 1j2o n ILE 111 Cb 0.00 -2.38 -0.05 0.00 -0.71 0.00 0.00 39.64 36.50 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1j2o n ASP 112 N -4.55 0.78 -4.81 4.38 -0.08 -1.26 -4.27 116.55 106.73 1j2o n ASP 112 Ca -0.10 -2.48 -0.37 0.00 -1.51 0.00 0.00 54.79 50.33 1j2o n ASP 112 Cb 0.36 0.80 -0.06 0.00 2.34 0.00 0.00 41.12 44.56 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1j2o s ASP 113 N -2.68 7.06 0.00 1.67 2.15 -1.26 -2.97 116.67 120.64 1j2o s ASP 113 Ca 0.17 1.33 0.00 0.00 0.43 0.00 0.00 52.55 54.48 1j2o s ASP 113 Cb 0.01 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1j2o s ASP 113 CO 0.12 0.16 0.02 1.21 -0.17 0.00 0.00 175.17 176.51