#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 6.88 0.00 1.61 0.01 -1.26 -5.06 113.70 115.88 1j2o s SER 2 Ca 0.00 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1j2o s SER 2 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1j2o s SER 2 CO 0.00 0.19 0.00 0.18 0.41 0.00 0.00 173.24 174.02 1j2o n LEU 3 N 2.40 0.00 -4.22 2.44 4.77 -1.26 -5.06 117.00 116.07 1j2o n LEU 3 Ca -0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 1j2o n LEU 3 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1j2o n LEU 3 CO 0.41 0.00 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.32 1j2o s LEU 4 N 0.00 2.47 -0.01 2.23 1.43 -1.26 -5.03 118.68 118.50 1j2o s LEU 4 Ca 0.00 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1j2o s LEU 4 Cb 0.00 -0.21 0.01 0.00 0.03 0.00 0.00 46.19 46.02 1j2o s LEU 4 CO 0.00 -0.41 -0.04 0.42 0.23 0.00 0.00 176.35 176.55 1j2o s THR 5 N -3.48 0.36 0.23 5.49 -4.23 -1.26 0.20 115.64 112.96 1j2o s THR 5 Ca 0.16 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.43 1j2o s THR 5 Cb 0.04 -0.35 -0.07 0.00 1.34 0.00 0.00 72.50 73.46 1j2o s THR 5 CO -0.01 0.13 0.55 0.00 -0.54 0.00 0.00 174.62 174.76 1j2o h GLY 7 N 2.53 0.00 0.00 0.00 0.00 -1.57 -2.01 103.07 102.02 1j2o h GLY 7 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1j2o h GLY 7 CO 0.69 0.00 -0.93 0.61 0.00 0.00 0.00 176.54 176.91 1j2o n GLY 8 N -0.63 -0.26 2.60 4.60 0.00 -1.26 -4.83 105.19 105.41 1j2o n GLY 8 Ca -0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 4.20 0.79 0.00 0.00 7.27 -1.11 -1.90 117.38 126.63 1j2o n GLN 10 Ca 0.11 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.27 1j2o n GLN 10 Cb 0.41 -1.32 0.58 0.00 2.41 0.00 0.00 30.24 32.31 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 -0.00 0.96 0.00 3.69 10.64 -1.26 -4.91 117.38 126.50 1j2o n GLN 11 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1j2o n GLN 11 Cb 0.16 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 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 -0.82 -1.74 -4.61 2.61 2.85 -1.20 -4.91 115.26 107.45 1j2o n ASN 12 Ca 0.15 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.19 1j2o n ASN 12 Cb 0.07 0.99 -0.03 0.00 1.24 0.00 0.00 39.78 42.05 1j2o n ASN 12 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1j2o s ILE 13 N -1.23 4.44 -0.76 -1.44 1.01 0.13 -4.88 121.20 118.47 1j2o s ILE 13 Ca 0.00 1.28 0.09 0.00 0.00 0.00 0.00 60.65 62.02 1j2o s ILE 13 Cb 0.00 -4.44 0.26 0.00 0.01 0.00 0.00 42.46 38.29 1j2o s ILE 13 CO 0.00 -0.70 1.22 0.61 0.00 0.00 0.00 174.94 176.07 1j2o n GLY 14 N 4.46 2.85 3.95 6.18 0.00 -1.26 -4.40 105.19 116.97 1j2o n GLY 14 Ca 0.10 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.03 3.98 0.07 1.61 1.01 -1.26 -5.01 116.67 116.03 1j2o s ASP 15 Ca 0.20 0.07 0.09 0.00 0.71 0.00 0.00 52.55 53.62 1j2o s ASP 15 Cb 0.11 -0.38 -0.21 0.00 1.01 0.00 0.00 42.92 43.46 1j2o s ASP 15 CO 0.13 -2.14 1.06 0.08 0.21 0.00 0.00 175.17 174.52 1j2o h ARG 16 N -0.97 0.00 -5.17 8.23 0.11 -1.96 -3.39 114.38 111.23 1j2o h ARG 16 Ca -0.41 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.30 1j2o h ARG 16 Cb 1.27 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.16 1j2o h ARG 16 CO 0.44 0.79 -0.75 -0.47 0.10 0.00 0.00 179.97 180.08 1j2o s TYR 17 N -2.68 1.19 0.31 4.08 5.04 -1.26 -1.49 117.35 122.54 1j2o s TYR 17 Ca -0.01 -0.58 -0.19 0.00 -2.44 0.00 0.00 57.07 53.85 1j2o s TYR 17 Cb 0.09 -0.64 0.03 0.00 0.35 0.00 0.00 41.96 41.79 1j2o s TYR 17 CO 0.82 0.06 0.73 -0.59 -1.34 0.00 0.00 175.55 175.23 1j2o s PHE 18 N -2.12 -0.06 -0.05 4.97 -0.71 0.16 -4.59 117.98 115.58 1j2o s PHE 18 Ca 0.05 -0.46 0.06 0.00 -1.04 0.00 0.00 56.93 55.54 1j2o s PHE 18 Cb -0.05 0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 42.47 1j2o s PHE 18 CO 0.01 -1.33 -0.23 -0.51 -1.34 0.00 0.00 175.22 171.82 1j2o s LEU 19 N -2.97 2.17 -0.02 -1.99 1.43 -1.23 -0.16 118.68 115.91 1j2o s LEU 19 Ca 0.13 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1j2o s LEU 19 Cb -0.05 -1.40 0.09 0.00 0.03 0.00 0.00 46.19 44.85 1j2o s LEU 19 CO 0.09 0.27 0.76 -0.75 0.23 0.00 0.00 176.35 176.94 1j2o s LYS 20 N -0.28 0.98 0.00 1.70 2.36 -0.76 -0.69 119.74 123.04 1j2o s LYS 20 Ca 0.00 -0.03 0.00 0.00 -2.55 0.00 0.00 55.97 53.39 1j2o s LYS 20 Cb -0.13 0.46 0.00 0.00 -1.05 0.00 0.00 37.83 37.11 1j2o s LYS 20 CO 0.03 -0.36 0.00 0.00 1.55 0.00 0.00 175.35 176.57 1j2o n ALA 21 N 0.37 0.00 -0.30 3.13 0.00 -1.12 -1.67 120.51 120.93 1j2o n ALA 21 Ca -0.15 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.47 1j2o n ALA 21 Cb 0.60 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.50 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 0.65 0.00 0.00 2.04 -1.75 -3.43 117.51 115.03 1j2o h ILE 22 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1j2o h ILE 22 Cb 0.00 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1j2o h ILE 22 CO 0.00 0.10 0.00 -0.67 0.00 0.00 0.00 178.15 177.58 1j2o n ASP 23 N -4.62 0.00 -0.97 1.72 2.03 -1.26 -5.02 116.55 108.43 1j2o n ASP 23 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1j2o n ASP 23 Cb 0.70 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 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 1.56 -4.24 -0.67 0.00 -1.26 -5.17 117.38 107.60 1j2o n GLN 24 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.00 56.77 1j2o n GLN 24 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 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 -0.84 2.77 0.13 2.61 2.02 -1.21 -2.81 117.35 120.03 1j2o s TYR 25 Ca 0.00 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1j2o s TYR 25 Cb 0.00 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1j2o s TYR 25 CO 0.00 0.57 0.10 0.91 -1.57 0.00 0.00 175.55 175.56 1j2o n TRP 26 N -0.98 -0.27 -4.06 2.71 7.02 0.13 -1.33 117.44 120.67 1j2o n TRP 26 Ca -0.06 -1.05 -0.29 0.00 -1.02 0.00 0.00 57.50 55.08 1j2o n TRP 26 Cb 0.59 0.10 -0.06 0.00 -2.42 0.00 0.00 31.31 29.52 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 -2.47 3.19 0.12 -5.99 3.76 -1.26 -3.52 115.29 109.12 1j2o s HIS 27 Ca 0.14 0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 54.89 1j2o s HIS 27 Cb 0.01 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 1j2o s HIS 27 CO 0.10 0.52 1.70 0.93 -0.85 0.00 0.00 174.74 177.14 1j2o h GLU 28 N 2.99 -0.07 -0.58 1.40 4.39 -1.84 -1.78 114.58 119.09 1j2o h GLU 28 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1j2o h GLU 28 Cb 1.18 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1j2o h GLU 28 CO 0.65 -0.05 0.00 -3.47 -1.16 0.00 0.00 179.01 174.98 1j2o n ASP 29 N -5.22 3.13 -0.03 1.42 2.03 -1.26 -3.95 116.55 112.67 1j2o n ASP 29 Ca -0.03 -2.24 -0.16 0.00 0.52 0.00 0.00 54.79 52.88 1j2o n ASP 29 Cb 0.15 -0.44 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 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 -3.25 6.16 -4.80 0.00 4.77 -1.15 -4.87 117.00 113.86 1j2o n LEU 31 Ca -0.30 -3.55 -0.23 0.00 -0.03 0.00 0.00 56.01 51.89 1j2o n LEU 31 Cb 1.05 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 1j2o n LEU 31 CO 0.41 0.87 -0.09 -0.94 -1.33 0.00 0.00 177.39 176.31 1j2o s SER 32 N 3.42 4.67 0.83 -1.43 1.04 -1.26 -4.40 113.70 116.57 1j2o s SER 32 Ca 0.53 -0.96 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 1j2o s SER 32 Cb 0.14 -0.48 0.09 0.00 0.10 0.00 0.00 66.02 65.87 1j2o s SER 32 CO -0.02 -0.61 1.10 0.00 0.98 0.00 0.00 173.24 174.69 1j2o n ASP 34 N -3.74 1.87 -0.10 0.00 2.03 -1.13 -3.85 116.55 111.62 1j2o n ASP 34 Ca 0.09 0.42 -0.23 0.00 0.52 0.00 0.00 54.79 55.60 1j2o n ASP 34 Cb 0.53 -0.93 -0.11 0.00 -0.72 0.00 0.00 41.12 39.89 1j2o n ASP 34 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1j2o n LEU 35 N -4.42 1.91 -0.21 -2.67 7.94 -1.26 -4.36 117.00 113.94 1j2o n LEU 35 Ca -0.34 0.40 -0.05 0.00 -1.11 0.00 0.00 56.01 54.92 1j2o n LEU 35 Cb 0.68 -0.96 0.06 0.00 0.53 0.00 0.00 43.42 43.73 1j2o n LEU 35 CO 0.15 0.34 1.10 0.00 -1.11 0.00 0.00 177.39 177.87 1j2o n GLY 37 N -1.27 0.40 0.00 0.00 0.00 -1.25 -5.01 105.19 98.07 1j2o n GLY 37 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1j2o n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2o n ARG 39 N 0.00 1.22 0.00 0.00 0.63 -1.26 -4.14 116.66 113.10 1j2o n ARG 39 Ca 0.00 -1.65 0.00 0.00 -0.92 0.00 0.00 57.85 55.28 1j2o n ARG 39 Cb 0.00 0.03 0.00 0.00 0.45 0.00 0.00 32.46 32.94 1j2o n ARG 39 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1j2o n LEU 40 N -1.10 0.00 -0.80 6.15 4.77 -1.26 0.03 117.00 124.78 1j2o n LEU 40 Ca -0.14 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1j2o n LEU 40 Cb 0.85 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.23 1j2o n LEU 40 CO -0.11 0.00 0.74 0.61 -1.33 0.00 0.00 177.39 177.30 1j2o n GLY 41 N 0.00 0.77 5.00 -0.72 0.00 -1.26 -4.97 105.19 104.02 1j2o n GLY 41 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.87 0.00 -2.83 1.61 1.02 0.10 -4.78 120.64 116.64 1j2o n GLU 42 Ca 0.17 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.11 1j2o n GLU 42 Cb 0.48 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.96 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 2.48 -0.44 2.62 -7.23 -1.26 -4.98 120.40 111.59 1j2o s VAL 43 Ca 0.00 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 1j2o s VAL 43 Cb 0.00 -2.65 -0.17 0.00 0.56 0.00 0.00 36.38 34.13 1j2o s VAL 43 CO 0.00 0.00 3.31 0.61 -0.31 0.00 0.00 175.10 178.71 1j2o n GLY 44 N -2.30 3.55 0.00 2.32 0.00 -1.26 -4.37 105.19 103.13 1j2o n GLY 44 Ca 0.12 -1.41 -0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 2.42 0.02 -4.12 1.61 1.85 -1.26 -4.82 116.66 112.36 1j2o n ARG 45 Ca 0.52 0.23 -0.19 0.00 -1.00 0.00 0.00 57.85 57.41 1j2o n ARG 45 Cb 0.70 -0.76 -0.16 0.00 -1.05 0.00 0.00 32.46 31.19 1j2o n ARG 45 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1j2o s ARG 46 N -1.07 0.66 -0.03 2.89 1.70 -1.26 -4.83 118.95 117.01 1j2o s ARG 46 Ca -0.01 -0.08 -0.01 0.00 -0.47 0.00 0.00 55.73 55.16 1j2o s ARG 46 Cb 0.00 -0.70 0.03 0.00 -0.57 0.00 0.00 34.95 33.71 1j2o s ARG 46 CO 0.01 -0.06 0.05 -1.17 -1.08 0.00 0.00 175.30 173.05 1j2o s LEU 47 N 0.79 0.49 0.15 -1.89 0.20 0.11 -4.02 118.68 114.51 1j2o s LEU 47 Ca -0.10 0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.81 1j2o s LEU 47 Cb -0.13 -0.12 -0.04 0.00 -0.43 0.00 0.00 46.19 45.48 1j2o s LEU 47 CO -0.00 -0.20 0.27 -0.31 -0.29 0.00 0.00 176.35 175.82 1j2o s TYR 48 N 1.76 3.47 -0.27 5.38 1.51 -1.26 -3.62 117.35 124.32 1j2o s TYR 48 Ca -0.00 0.11 -0.24 0.00 -1.01 0.00 0.00 57.07 55.93 1j2o s TYR 48 Cb -0.12 -1.66 0.07 0.00 -0.11 0.00 0.00 41.96 40.14 1j2o s TYR 48 CO -0.03 0.52 0.74 1.52 -1.11 0.00 0.00 175.55 177.19 1j2o s TYR 49 N -1.74 -0.79 0.80 2.71 1.13 -1.20 -3.31 117.35 114.94 1j2o s TYR 49 Ca 0.34 1.90 -0.11 0.00 -1.41 0.00 0.00 57.07 57.79 1j2o s TYR 49 Cb -0.11 0.31 0.09 0.00 -1.10 0.00 0.00 41.96 41.15 1j2o s TYR 49 CO 0.28 -0.38 1.15 0.15 -2.51 0.00 0.00 175.55 174.24 1j2o s LYS 50 N 0.49 1.91 0.19 -3.49 -0.14 0.20 -4.91 119.74 113.99 1j2o s LYS 50 Ca -0.01 -0.04 0.01 0.00 -1.36 0.00 0.00 55.97 54.57 1j2o s LYS 50 Cb -0.05 -2.00 0.47 0.00 -1.68 0.00 0.00 37.83 34.57 1j2o s LYS 50 CO -0.02 -1.58 0.98 1.28 -0.76 0.00 0.00 175.35 175.26 1j2o n LEU 51 N -3.25 -0.08 -0.70 3.17 7.99 -1.26 -2.38 117.00 120.48 1j2o n LEU 51 Ca 0.09 1.07 0.00 0.00 -0.01 0.00 0.00 56.01 57.16 1j2o n LEU 51 Cb 0.61 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1j2o n LEU 51 CO 0.55 -1.08 0.22 0.61 -1.51 0.00 0.00 177.39 176.18 1j2o n GLY 52 N -1.32 0.67 2.79 -0.72 0.00 -1.26 -5.08 105.19 100.27 1j2o n GLY 52 Ca 0.14 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.01 -0.28 1.61 1.70 -1.00 -5.12 118.95 115.85 1j2o s ARG 53 Ca 0.06 0.30 -0.29 0.00 -0.47 0.00 0.00 55.73 55.33 1j2o s ARG 53 Cb 0.07 -0.29 0.01 0.00 -0.57 0.00 0.00 34.95 34.17 1j2o s ARG 53 CO -0.03 -0.21 1.13 0.15 -1.08 0.00 0.00 175.30 175.26 1j2o s LYS 54 N 1.41 4.11 0.06 3.89 1.02 -1.26 0.59 119.74 129.56 1j2o s LYS 54 Ca -0.05 1.24 -0.26 0.00 0.02 0.00 0.00 55.97 56.92 1j2o s LYS 54 Cb -0.12 -3.74 0.08 0.00 -0.52 0.00 0.00 37.83 33.52 1j2o s LYS 54 CO -0.04 -0.85 0.67 -0.48 -0.92 0.00 0.00 175.35 173.74 1j2o s LEU 55 N 3.65 -0.57 0.00 3.17 2.34 -1.21 -2.85 118.68 123.21 1j2o s LEU 55 Ca 0.48 0.24 -0.09 0.00 0.06 0.00 0.00 54.13 54.81 1j2o s LEU 55 Cb -0.15 2.48 0.13 0.00 -0.56 0.00 0.00 46.19 48.10 1j2o s LEU 55 CO 0.14 -0.79 0.78 0.00 -1.06 0.00 0.00 176.35 175.42 1j2o n ARG 57 N -2.64 0.05 -0.04 0.00 3.00 -1.26 -2.52 116.66 113.24 1j2o n ARG 57 Ca 0.10 0.02 -0.21 0.00 -0.00 0.00 0.00 57.85 57.76 1j2o n ARG 57 Cb 0.34 -1.54 -0.13 0.00 0.00 0.00 0.00 32.46 31.14 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 -1.61 0.72 0.11 -0.14 3.00 -1.26 -2.85 116.66 114.63 1j2o n ARG 58 Ca 0.06 0.25 0.12 0.00 -0.01 0.00 0.00 57.85 58.27 1j2o n ARG 58 Cb 0.35 -1.66 0.10 0.00 0.00 0.00 0.00 32.46 31.25 1j2o n ARG 58 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1j2o h ASP 59 N -0.03 0.00 0.47 0.55 3.04 -1.96 -2.80 116.42 115.70 1j2o h ASP 59 Ca -0.46 -0.06 -0.14 0.00 -3.24 0.00 0.00 57.03 53.13 1j2o h ASP 59 Cb 1.95 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 40.23 1j2o h ASP 59 CO 0.02 0.03 -0.60 0.22 -2.04 0.00 0.00 179.24 176.86 1j2o h TYR 60 N 0.00 0.17 0.00 4.15 5.03 -1.66 -2.75 116.97 121.91 1j2o h TYR 60 Ca 0.00 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1j2o h TYR 60 Cb 0.92 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.17 1j2o h TYR 60 CO 0.00 0.70 0.00 1.25 -1.32 0.00 0.00 178.16 178.79 1j2o h LEU 61 N 0.10 0.00 -1.45 2.82 5.85 -1.34 0.29 115.31 121.57 1j2o h LEU 61 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1j2o h LEU 61 Cb 1.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1j2o h LEU 61 CO 0.09 0.00 -0.21 0.03 -0.34 0.00 0.00 178.44 178.00 1j2o h ARG 62 N 0.00 0.00 0.00 1.25 -0.00 -1.51 -2.02 114.38 112.10 1j2o h ARG 62 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.42 1j2o h ARG 62 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.16 1j2o h ARG 62 CO 0.00 0.21 -1.21 1.47 0.00 0.00 0.00 179.97 180.45 1j2o n LEU 63 N -3.58 1.26 -1.07 3.04 -0.00 -0.43 -4.71 117.00 111.50 1j2o n LEU 63 Ca -0.01 0.02 0.12 0.00 -0.00 0.00 0.00 56.01 56.14 1j2o n LEU 63 Cb 0.35 -0.12 0.20 0.00 -0.00 0.00 0.00 43.42 43.86 1j2o n LEU 63 CO 0.33 0.25 0.69 0.61 -0.00 0.00 0.00 177.39 179.27 1j2o n GLY 64 N 2.97 1.45 2.60 1.47 0.00 0.88 -4.32 105.19 110.24 1j2o n GLY 64 Ca -0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 1.45 3.03 1.92 -0.02 0.00 -0.77 -4.75 105.19 106.05 1j2o n GLY 65 Ca 0.18 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.51 2.11 -0.02 1.61 3.41 -1.17 -4.28 113.62 114.77 1j2o n SER 66 Ca 0.18 -1.64 -0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1j2o n SER 66 Cb 0.83 -0.47 0.30 0.00 -0.26 0.00 0.00 64.21 64.60 1j2o n SER 66 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1j2o h GLY 67 N 4.09 0.62 0.00 5.00 0.00 -1.60 -3.47 103.07 107.70 1j2o h GLY 67 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1j2o h GLY 67 CO 0.09 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1j2o n GLY 68 N -0.95 1.54 3.44 4.60 0.00 -1.26 -5.01 105.19 107.55 1j2o n GLY 68 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1j2o n GLY 68 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1j2o s HIS 69 N -1.82 2.03 -0.25 1.61 0.00 -1.26 -5.03 115.29 110.57 1j2o s HIS 69 Ca 0.00 -0.63 0.20 0.00 -3.00 0.00 0.00 55.06 51.63 1j2o s HIS 69 Cb 0.00 -1.12 0.30 0.00 -4.00 0.00 0.00 32.58 27.76 1j2o s HIS 69 CO 0.00 0.37 1.57 0.52 -1.00 0.00 0.00 174.74 176.19 1j2o h MET 70 N 2.26 0.00 -0.25 -0.38 0.00 -1.97 -3.25 114.93 111.33 1j2o h MET 70 Ca -0.40 0.00 -0.15 0.00 0.00 0.00 0.00 59.70 59.15 1j2o h MET 70 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.83 1j2o h MET 70 CO 0.67 0.24 -0.45 0.78 0.00 0.00 0.00 176.91 178.15 1j2o h GLY 71 N 3.55 0.69 -6.77 8.32 0.00 -1.96 -2.68 103.07 104.22 1j2o h GLY 71 Ca -0.00 -0.73 -0.44 0.00 0.00 0.00 0.00 47.33 46.15 1j2o h GLY 71 CO 0.03 0.66 -0.72 -0.56 0.00 0.00 0.00 176.54 175.95 1j2o s SER 72 N -6.88 2.58 0.28 0.19 0.01 -1.23 -2.40 113.70 106.26 1j2o s SER 72 Ca -0.08 -0.88 0.12 0.00 1.31 0.00 0.00 55.95 56.42 1j2o s SER 72 Cb 0.12 -0.03 0.37 0.00 0.21 0.00 0.00 66.02 66.69 1j2o s SER 72 CO 0.84 -0.39 1.61 1.23 0.41 0.00 0.00 173.24 176.93 1j2o h GLY 73 N 8.36 0.00 -0.33 3.44 0.00 -1.80 -3.37 103.07 109.37 1j2o h GLY 73 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1j2o h GLY 73 CO 0.37 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 177.44 1j2o n GLY 74 N 0.36 0.42 3.55 4.60 0.00 -1.26 -1.84 105.19 111.03 1j2o n GLY 74 Ca -0.01 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.90 6.13 -0.22 1.61 2.15 -1.26 -4.88 116.67 117.30 1j2o s ASP 75 Ca 0.00 -0.74 -0.00 0.00 0.43 0.00 0.00 52.55 52.24 1j2o s ASP 75 Cb 0.00 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.12 1j2o s ASP 75 CO 0.00 -1.83 -0.04 0.54 -0.17 0.00 0.00 175.17 173.67 1j2o s VAL 76 N 6.07 1.27 -0.64 1.11 0.11 -1.26 -4.51 120.40 122.55 1j2o s VAL 76 Ca 0.44 -1.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.21 1j2o s VAL 76 Cb -0.06 -1.57 0.03 0.00 -1.53 0.00 0.00 36.38 33.26 1j2o s VAL 76 CO 0.06 -0.09 1.20 -0.04 -3.33 0.00 0.00 175.10 172.89 1j2o s MET 77 N 1.52 3.36 3.98 1.54 1.00 -1.26 -4.83 119.30 124.62 1j2o s MET 77 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 55.69 55.63 1j2o s MET 77 Cb -0.18 -4.09 0.00 0.00 0.00 0.00 0.00 34.83 30.56 1j2o s MET 77 CO -0.07 -1.85 0.00 0.28 0.00 0.00 0.00 175.02 173.39 1j2o n VAL 78 N 6.49 0.00 -2.16 -6.03 0.31 -1.26 -0.76 118.33 114.93 1j2o n VAL 78 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.37 1j2o n VAL 78 Cb 0.49 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.51 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 1.43 1.74 2.52 0.31 -1.26 -4.81 118.33 118.26 1j2o n VAL 79 Ca 0.00 -2.67 0.15 0.00 -0.01 0.00 0.00 64.34 61.81 1j2o n VAL 79 Cb 0.00 0.24 0.86 0.00 -0.91 0.00 0.00 33.84 34.02 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 -0.46 -1.08 2.68 2.92 0.00 0.06 -4.98 105.19 104.34 1j2o n GLY 80 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1j2o n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j2o n GLU 81 N -1.10 -4.04 -0.83 1.61 1.02 -1.26 -4.97 120.64 111.07 1j2o n GLU 81 Ca 0.20 3.11 -0.30 0.00 -0.02 0.00 0.00 57.16 60.15 1j2o n GLU 81 Cb 0.15 -4.85 0.16 0.00 -0.02 0.00 0.00 31.44 26.88 1j2o n GLU 81 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1j2o s PRO 82 N -0.92 0.93 -1.43 3.49 0.04 -1.26 -4.89 135.00 130.96 1j2o s PRO 82 Ca -0.19 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 1j2o s PRO 82 Cb 0.01 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.86 1j2o s PRO 82 CO 0.74 -2.60 2.17 0.25 0.04 0.00 0.00 177.00 177.60 1j2o n THR 83 N -4.19 3.47 -1.95 1.26 -2.24 -1.26 -4.92 114.28 104.46 1j2o n THR 83 Ca 0.09 -3.10 -0.37 0.00 -2.27 0.00 0.00 64.05 58.40 1j2o n THR 83 Cb 0.53 -2.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.15 1j2o n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j2o s LEU 84 N 2.42 3.30 -0.17 3.22 1.43 -1.26 -3.87 118.68 123.74 1j2o s LEU 84 Ca 0.48 0.40 0.18 0.00 -1.03 0.00 0.00 54.13 54.16 1j2o s LEU 84 Cb 0.13 -2.53 0.45 0.00 0.03 0.00 0.00 46.19 44.28 1j2o s LEU 84 CO -0.07 -2.51 1.17 0.80 0.23 0.00 0.00 176.35 175.97 1j2o n MET 85 N 9.14 1.51 -1.46 1.70 1.56 -1.26 -4.98 117.12 123.33 1j2o n MET 85 Ca 0.25 -3.11 0.00 0.00 -0.27 0.00 0.00 57.70 54.57 1j2o n MET 85 Cb 0.52 -1.23 0.00 0.00 2.15 0.00 0.00 33.22 34.66 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 -0.39 0.91 3.51 -5.12 0.00 -1.25 -4.12 105.19 98.74 1j2o n GLY 86 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.45 1.49 3.50 -0.02 0.00 -1.01 -4.66 105.19 103.05 1j2o n GLY 87 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 3.98 0.53 1.61 2.02 -1.26 -4.71 118.70 120.86 1j2o s GLU 88 Ca 0.00 -2.23 -0.07 0.00 0.02 0.00 0.00 54.97 52.69 1j2o s GLU 88 Cb 0.00 -5.20 0.12 0.00 0.10 0.00 0.00 34.13 29.14 1j2o s GLU 88 CO 0.00 -1.94 0.72 1.19 0.02 0.00 0.00 175.26 175.25 1j2o n PHE 89 N 6.75 -3.72 -3.15 1.61 3.72 -1.25 -4.38 117.46 117.03 1j2o n PHE 89 Ca 0.39 -0.79 0.06 0.00 -0.05 0.00 0.00 57.45 57.05 1j2o n PHE 89 Cb 0.45 -0.55 -0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 -4.47 -0.74 0.00 1.37 0.00 -1.26 -5.02 107.32 97.20 1j2o s GLY 90 Ca 0.42 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.52 1j2o s GLY 90 CO 0.29 4.08 0.00 2.09 0.00 0.00 0.00 173.10 179.56 1j2o n ASP 91 N 5.18 0.00 0.00 1.64 5.75 -1.26 -4.71 116.55 123.15 1j2o n ASP 91 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1j2o n ASP 91 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 -0.26 0.11 0.28 -1.26 -4.91 120.64 114.60 1j2o n GLU 92 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1j2o n GLU 92 Cb 0.00 -0.02 0.15 0.00 1.43 0.00 0.00 31.44 32.99 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 -0.96 2.24 -1.14 -1.84 2.03 -1.26 -4.22 116.55 111.40 1j2o n ASP 93 Ca 0.00 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.13 1j2o n ASP 93 Cb 0.00 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 0.31 1.00 0.00 -0.67 0.28 -1.26 -4.68 120.64 115.62 1j2o n GLU 94 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1j2o n GLU 94 Cb 0.44 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.31 1j2o n GLU 94 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1j2o n ARG 95 N 0.79 2.43 -3.48 3.44 1.85 -1.24 -0.71 116.66 119.73 1j2o n ARG 95 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 1j2o n ARG 95 Cb 0.50 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.97 1j2o n ARG 95 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1j2o n LEU 96 N 0.00 -4.15 -3.71 2.89 4.77 -1.26 -4.31 117.00 111.23 1j2o n LEU 96 Ca 0.00 -0.77 -0.11 0.00 -0.03 0.00 0.00 56.01 55.10 1j2o n LEU 96 Cb 0.00 -2.92 -0.11 0.00 -2.33 0.00 0.00 43.42 38.06 1j2o n LEU 96 CO 0.00 0.31 0.04 -0.63 -1.33 0.00 0.00 177.39 175.77 1j2o s ILE 97 N -3.47 -0.02 -0.00 -0.08 1.09 -1.26 -2.04 121.20 115.41 1j2o s ILE 97 Ca 0.24 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.87 1j2o s ILE 97 Cb -0.05 -0.57 0.00 0.00 -1.06 0.00 0.00 42.46 40.78 1j2o s ILE 97 CO 0.78 0.03 0.00 0.28 -0.10 0.00 0.00 174.94 175.93 1j2o s THR 98 N 1.15 0.00 -0.38 2.92 -1.32 -0.67 -4.81 115.64 112.53 1j2o s THR 98 Ca -0.08 0.02 -0.23 0.00 -1.21 0.00 0.00 61.69 60.19 1j2o s THR 98 Cb -0.07 -0.02 0.01 0.00 -1.51 0.00 0.00 72.50 70.90 1j2o s THR 98 CO -0.10 0.01 0.76 -0.13 -2.21 0.00 0.00 174.62 172.95 1j2o s ARG 99 N 0.10 3.67 0.48 7.08 0.52 -1.26 -1.83 118.95 127.70 1j2o s ARG 99 Ca -0.01 0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.42 1j2o s ARG 99 Cb -0.01 -3.83 -0.03 0.00 0.52 0.00 0.00 34.95 31.59 1j2o s ARG 99 CO -0.00 -0.88 0.06 -1.17 0.02 0.00 0.00 175.30 173.32 1j2o s LEU 100 N 3.07 2.57 0.05 2.53 2.96 0.77 -4.96 118.68 125.66 1j2o s LEU 100 Ca 0.30 -1.48 0.07 0.00 -0.22 0.00 0.00 54.13 52.79 1j2o s LEU 100 Cb -0.13 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1j2o s LEU 100 CO 0.18 -0.73 -0.18 -1.83 -1.32 0.00 0.00 176.35 172.47 1j2o s GLU 101 N -3.87 2.05 0.10 1.98 -1.05 -1.26 -0.66 118.70 115.99 1j2o s GLU 101 Ca 0.20 -1.00 -0.33 0.00 -0.15 0.00 0.00 54.97 53.70 1j2o s GLU 101 Cb 0.04 -2.19 -0.14 0.00 -0.44 0.00 0.00 34.13 31.40 1j2o s GLU 101 CO 0.11 0.53 1.59 -0.97 0.95 0.00 0.00 175.26 177.47 1j2o h ASN 102 N 4.43 -1.17 0.00 0.83 -0.73 -1.47 -3.46 115.58 114.02 1j2o h ASN 102 Ca -0.48 0.11 0.00 0.00 1.87 0.00 0.00 56.30 57.80 1j2o h ASN 102 Cb 1.16 0.40 0.00 0.00 0.27 0.00 0.00 38.32 40.15 1j2o h ASN 102 CO 0.48 -0.55 0.00 1.07 -0.37 0.00 0.00 177.43 178.06 1j2o n THR 103 N -5.50 0.00 -2.98 -3.57 5.66 -1.26 -5.02 114.28 101.61 1j2o n THR 103 Ca -0.10 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.58 1j2o n THR 103 Cb 0.40 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.15 1j2o n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j2o n GLN 104 N 0.00 3.79 -2.14 1.09 6.02 -1.26 -4.94 117.38 119.94 1j2o n GLN 104 Ca 0.00 -4.74 -0.42 0.00 -0.01 0.00 0.00 57.00 51.83 1j2o n GLN 104 Cb 0.00 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 28.93 1j2o n GLN 104 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1j2o n PHE 105 N 0.24 3.33 0.00 1.08 -0.00 -1.26 -4.70 117.46 116.15 1j2o n PHE 105 Ca 0.34 -2.89 0.00 0.00 -0.00 0.00 0.00 57.45 54.90 1j2o n PHE 105 Cb 0.36 -2.22 0.00 0.00 -0.00 0.00 0.00 39.48 37.62 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 4.97 0.00 -3.12 -2.13 2.03 -1.26 -4.97 116.55 112.08 1j2o n ASP 106 Ca 0.45 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.53 1j2o n ASP 106 Cb 0.38 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.42 -1.00 -2.63 -1.67 0.00 -1.26 -4.93 120.51 107.59 1j2o n ALA 107 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1j2o n ALA 107 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 19.45 15.81 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o s ALA 108 N -3.11 3.41 -0.11 0.00 0.00 -1.26 -4.67 121.76 116.02 1j2o s ALA 108 Ca 0.33 0.45 0.29 0.00 0.00 0.00 0.00 51.96 53.03 1j2o s ALA 108 Cb -0.16 -3.45 1.32 0.00 0.00 0.00 0.00 23.12 20.83 1j2o s ALA 108 CO 0.41 -0.62 1.87 -0.97 0.00 0.00 0.00 175.76 176.44 1j2o h ASN 109 N 7.16 0.00 -0.96 0.00 -0.73 -1.92 -1.48 115.58 117.66 1j2o h ASN 109 Ca -0.32 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.00 1j2o h ASN 109 Cb 1.15 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.65 1j2o h ASN 109 CO 0.86 0.00 0.57 1.23 -0.37 0.00 0.00 177.43 179.72 1j2o h GLY 110 N 1.50 1.62 0.00 1.57 0.00 -2.02 -3.38 103.07 102.36 1j2o h GLY 110 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1j2o h GLY 110 CO 0.00 0.04 0.00 1.39 0.00 0.00 0.00 176.54 177.97 1j2o n ILE 111 N -4.73 0.00 -3.80 2.60 5.41 -0.96 -5.16 119.36 112.72 1j2o n ILE 111 Ca 0.20 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.95 1j2o n ILE 111 Cb 0.44 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1j2o s ASP 112 N -0.07 -0.04 -0.37 4.38 -1.08 -0.60 -5.02 116.67 113.88 1j2o s ASP 112 Ca 0.00 -0.27 -0.28 0.00 -0.52 0.00 0.00 52.55 51.48 1j2o s ASP 112 Cb 0.00 0.24 0.02 0.00 -1.46 0.00 0.00 42.92 41.72 1j2o s ASP 112 CO 0.00 -0.46 1.02 -0.62 0.52 0.00 0.00 175.17 175.63 1j2o s ASP 113 N -3.33 6.76 0.00 -0.34 2.15 -1.26 -4.12 116.67 116.53 1j2o s ASP 113 Ca 0.20 0.72 0.03 0.00 0.43 0.00 0.00 52.55 53.93 1j2o s ASP 113 Cb 0.01 -2.51 0.03 0.00 -0.30 0.00 0.00 42.92 40.15 1j2o s ASP 113 CO -0.01 -0.94 0.60 1.21 -0.17 0.00 0.00 175.17 175.86