#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 6.02 0.79 1.61 0.01 -1.26 -5.08 113.70 115.78 1j2o s SER 2 Ca 0.00 0.56 -0.11 0.00 1.31 0.00 0.00 55.95 57.70 1j2o s SER 2 Cb 0.00 -1.86 0.06 0.00 0.21 0.00 0.00 66.02 64.43 1j2o s SER 2 CO 0.00 -0.63 1.09 -0.76 0.41 0.00 0.00 173.24 173.35 1j2o s LEU 3 N -4.61 2.67 0.30 2.44 1.43 -1.26 -5.06 118.68 114.59 1j2o s LEU 3 Ca 0.47 1.38 0.07 0.00 -1.03 0.00 0.00 54.13 55.02 1j2o s LEU 3 Cb -0.10 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 1j2o s LEU 3 CO 0.40 -1.93 0.28 -0.76 0.23 0.00 0.00 176.35 174.57 1j2o s LEU 4 N -5.77 3.73 -0.10 1.79 1.02 -1.25 -4.97 118.68 113.11 1j2o s LEU 4 Ca 0.60 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 54.41 1j2o s LEU 4 Cb -0.15 -2.33 0.01 0.00 0.02 0.00 0.00 46.19 43.75 1j2o s LEU 4 CO 0.55 -0.24 -0.19 0.42 0.02 0.00 0.00 176.35 176.90 1j2o s THR 5 N -2.23 1.72 0.12 5.49 -4.23 -1.26 0.58 115.64 115.83 1j2o s THR 5 Ca 0.38 -0.79 -0.27 0.00 -1.18 0.00 0.00 61.69 59.83 1j2o s THR 5 Cb -0.07 -1.53 -0.07 0.00 1.34 0.00 0.00 72.50 72.18 1j2o s THR 5 CO 0.26 0.48 0.85 0.00 -0.54 0.00 0.00 174.62 175.67 1j2o n GLY 7 N 2.02 -0.52 0.13 0.00 0.00 0.56 -1.35 105.19 106.03 1j2o n GLY 7 Ca -0.02 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 0.82 -0.49 0.00 -0.02 0.00 -1.26 -4.75 105.19 99.48 1j2o n GLY 8 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.63 -1.41 -0.34 0.00 3.00 -0.45 -4.86 117.38 111.69 1j2o n GLN 10 Ca -0.01 1.04 0.06 0.00 -0.01 0.00 0.00 57.00 58.09 1j2o n GLN 10 Cb 0.11 -5.47 0.21 0.00 0.00 0.00 0.00 30.24 25.10 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j2o n GLN 11 N -2.63 2.49 -0.86 -1.09 10.64 -1.26 -4.88 117.38 119.78 1j2o n GLN 11 Ca -0.21 -1.70 0.00 0.00 -1.83 0.00 0.00 57.00 53.26 1j2o n GLN 11 Cb 0.65 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 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 0.65 -5.24 -4.55 2.61 5.15 -1.26 -4.84 115.26 107.79 1j2o n ASN 12 Ca 0.15 0.59 -0.42 0.00 -0.60 0.00 0.00 54.58 54.30 1j2o n ASN 12 Cb 0.53 -1.80 -0.03 0.00 -0.53 0.00 0.00 39.78 37.95 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 -1.28 4.04 -0.83 -1.44 1.01 0.20 -4.81 121.20 118.09 1j2o s ILE 13 Ca 0.00 0.50 0.13 0.00 0.00 0.00 0.00 60.65 61.29 1j2o s ILE 13 Cb 0.00 -4.74 0.41 0.00 0.01 0.00 0.00 42.46 38.13 1j2o s ILE 13 CO 0.00 -1.46 1.34 0.61 0.00 0.00 0.00 174.94 175.43 1j2o n GLY 14 N 5.19 3.03 0.97 6.18 0.00 -1.26 -3.95 105.19 115.35 1j2o n GLY 14 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 1j2o n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2o n ASP 15 N 0.40 -0.94 -0.02 1.61 9.92 -1.26 -4.99 116.55 121.27 1j2o n ASP 15 Ca 0.16 -0.80 0.01 0.00 -0.53 0.00 0.00 54.79 53.62 1j2o n ASP 15 Cb 0.58 -0.27 -0.13 0.00 -0.64 0.00 0.00 41.12 40.66 1j2o n ASP 15 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1j2o n ARG 16 N -2.22 0.65 -3.97 -1.24 -4.01 -1.26 -4.49 116.66 100.12 1j2o n ARG 16 Ca 0.04 0.02 -0.09 0.00 -1.04 0.00 0.00 57.85 56.79 1j2o n ARG 16 Cb 0.16 -1.64 -0.10 0.00 -3.04 0.00 0.00 32.46 27.84 1j2o n ARG 16 CO 0.00 0.00 0.00 -0.47 -3.04 0.00 0.00 177.63 174.12 1j2o s TYR 17 N -3.00 0.27 0.35 2.89 5.04 -1.26 -1.82 117.35 119.83 1j2o s TYR 17 Ca -0.06 -0.60 -0.12 0.00 -2.44 0.00 0.00 57.07 53.85 1j2o s TYR 17 Cb 0.09 -0.20 0.03 0.00 0.35 0.00 0.00 41.96 42.24 1j2o s TYR 17 CO 0.84 -0.31 0.66 -0.59 -1.34 0.00 0.00 175.55 174.82 1j2o s PHE 18 N -2.41 0.41 0.06 4.97 -0.71 0.31 -4.65 117.98 115.96 1j2o s PHE 18 Ca -0.07 -0.91 0.07 0.00 -1.04 0.00 0.00 56.93 54.99 1j2o s PHE 18 Cb -0.03 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1j2o s PHE 18 CO -0.04 -1.37 -0.17 -0.51 -1.34 0.00 0.00 175.22 171.79 1j2o s LEU 19 N -3.11 2.69 -0.15 -1.99 1.43 -1.22 -0.60 118.68 115.73 1j2o s LEU 19 Ca 0.20 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 1j2o s LEU 19 Cb -0.03 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.71 1j2o s LEU 19 CO 0.14 0.23 0.77 -0.75 0.23 0.00 0.00 176.35 176.97 1j2o s LYS 20 N -1.66 0.87 0.00 1.70 2.36 -0.24 0.38 119.74 123.15 1j2o s LYS 20 Ca 0.16 0.48 0.00 0.00 -2.55 0.00 0.00 55.97 54.06 1j2o s LYS 20 Cb -0.11 0.42 0.00 0.00 -1.05 0.00 0.00 37.83 37.09 1j2o s LYS 20 CO 0.07 -0.22 0.00 0.00 1.55 0.00 0.00 175.35 176.75 1j2o n ALA 21 N 1.51 0.00 -0.30 3.13 0.00 -1.14 -1.22 120.51 122.49 1j2o n ALA 21 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1j2o n ALA 21 Cb 0.56 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.26 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 0.23 0.00 0.00 2.04 -1.94 -3.42 117.51 114.42 1j2o h ILE 22 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1j2o h ILE 22 Cb 0.00 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1j2o h ILE 22 CO 0.00 0.02 0.00 -0.67 0.00 0.00 0.00 178.15 177.50 1j2o n ASP 23 N -5.35 0.00 -1.15 1.72 2.03 -1.26 -5.13 116.55 107.42 1j2o n ASP 23 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1j2o n ASP 23 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.32 -3.18 -0.67 0.00 -1.26 -5.16 117.38 107.43 1j2o n GLN 24 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.00 56.74 1j2o n GLN 24 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 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 -1.83 3.51 0.11 2.61 2.02 -1.24 -2.89 117.35 119.64 1j2o s TYR 25 Ca 0.00 0.53 0.02 0.00 -0.37 0.00 0.00 57.07 57.25 1j2o s TYR 25 Cb 0.00 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1j2o s TYR 25 CO 0.00 0.03 0.09 0.91 -1.57 0.00 0.00 175.55 175.01 1j2o n TRP 26 N -1.74 -0.23 -4.26 2.71 7.02 0.16 -0.33 117.44 120.77 1j2o n TRP 26 Ca -0.03 -0.90 -0.24 0.00 -1.02 0.00 0.00 57.50 55.32 1j2o n TRP 26 Cb 0.55 0.09 -0.07 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 -2.40 2.76 0.11 -5.99 3.76 -1.26 -3.44 115.29 108.83 1j2o s HIS 27 Ca 0.12 -0.19 -0.22 0.00 -0.15 0.00 0.00 55.06 54.62 1j2o s HIS 27 Cb 0.01 -1.26 -0.10 0.00 1.11 0.00 0.00 32.58 32.33 1j2o s HIS 27 CO 0.09 0.58 1.73 0.93 -0.85 0.00 0.00 174.74 177.22 1j2o h GLU 28 N 2.11 0.03 -0.62 1.40 5.08 -1.88 -2.65 114.58 118.05 1j2o h GLU 28 Ca -0.45 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1j2o h GLU 28 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1j2o h GLU 28 CO 0.59 0.02 0.00 -3.47 -1.00 0.00 0.00 179.01 175.16 1j2o n ASP 29 N -5.10 3.77 -0.01 1.42 -0.08 -1.26 -4.05 116.55 111.23 1j2o n ASP 29 Ca -0.05 -2.00 -0.15 0.00 -1.51 0.00 0.00 54.79 51.08 1j2o n ASP 29 Cb 0.06 -0.41 -0.14 0.00 2.34 0.00 0.00 41.12 42.97 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 -3.26 5.05 -4.42 0.00 7.94 -1.02 -4.87 117.00 116.42 1j2o n LEU 31 Ca -0.26 -3.35 -0.23 0.00 -1.11 0.00 0.00 56.01 51.06 1j2o n LEU 31 Cb 1.05 -1.33 -0.10 0.00 0.53 0.00 0.00 43.42 43.57 1j2o n LEU 31 CO 0.43 0.13 -0.48 -0.44 -1.11 0.00 0.00 177.39 175.92 1j2o s SER 32 N 4.39 3.26 1.02 1.96 0.01 -1.26 -0.97 113.70 122.12 1j2o s SER 32 Ca 0.54 -0.99 -0.14 0.00 1.31 0.00 0.00 55.95 56.67 1j2o s SER 32 Cb 0.14 -0.24 0.12 0.00 0.21 0.00 0.00 66.02 66.24 1j2o s SER 32 CO 0.05 -0.00 0.54 0.00 0.41 0.00 0.00 173.24 174.23 1j2o h ASP 34 N -1.94 0.00 0.00 0.00 3.58 -1.93 -3.27 116.42 112.86 1j2o h ASP 34 Ca -0.49 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1j2o h ASP 34 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1j2o h ASP 34 CO 0.39 0.79 -0.14 0.25 -2.88 0.00 0.00 179.24 177.65 1j2o h LEU 35 N -1.00 0.00 0.19 2.28 5.85 -1.93 -3.39 115.31 117.31 1j2o h LEU 35 Ca -0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1j2o h LEU 35 Cb 0.50 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1j2o h LEU 35 CO -0.03 0.55 -0.39 0.00 -0.34 0.00 0.00 178.44 178.23 1j2o n GLY 37 N -1.46 0.57 0.00 0.00 0.00 -1.23 -4.98 105.19 98.09 1j2o n GLY 37 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.67 -0.08 0.00 3.52 -1.26 -4.51 118.95 117.29 1j2o s ARG 39 Ca 0.00 0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1j2o s ARG 39 Cb 0.00 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1j2o s ARG 39 CO 0.00 -0.14 1.50 -0.51 -0.81 0.00 0.00 175.30 175.35 1j2o s LEU 40 N -0.30 4.28 0.00 -0.88 1.02 -0.14 -3.23 118.68 119.42 1j2o s LEU 40 Ca -0.01 2.06 0.00 0.00 0.02 0.00 0.00 54.13 56.20 1j2o s LEU 40 Cb -0.03 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.64 1j2o s LEU 40 CO -0.01 -0.85 0.00 0.61 0.02 0.00 0.00 176.35 176.12 1j2o n GLY 41 N 3.92 2.92 7.00 -3.19 0.00 -1.26 -4.99 105.19 109.58 1j2o n GLY 41 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.34 1.61 -0.58 -1.20 -2.61 120.64 114.53 1j2o n GLU 42 Ca 0.00 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 1j2o n GLU 42 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1j2o n GLU 42 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1j2o s VAL 43 N 0.00 5.70 0.00 2.62 1.01 -1.26 -4.93 120.40 123.55 1j2o s VAL 43 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 61.98 59.20 1j2o s VAL 43 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1j2o s VAL 43 CO 0.00 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.63 1j2o n GLY 44 N 3.56 2.59 0.00 4.51 0.00 -1.07 -4.99 105.19 109.79 1j2o n GLY 44 Ca 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.10 1.85 -2.75 1.61 -4.01 -1.26 -4.76 116.66 106.24 1j2o n ARG 45 Ca 0.00 -1.13 -0.42 0.00 -1.04 0.00 0.00 57.85 55.26 1j2o n ARG 45 Cb 0.00 -0.86 -0.03 0.00 -3.04 0.00 0.00 32.46 28.54 1j2o n ARG 45 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1j2o s ARG 46 N -0.64 3.50 -1.09 2.89 0.52 -1.26 -4.48 118.95 118.39 1j2o s ARG 46 Ca 0.00 -1.29 -0.18 0.00 -0.52 0.00 0.00 55.73 53.75 1j2o s ARG 46 Cb 0.00 -4.94 0.12 0.00 0.52 0.00 0.00 34.95 30.65 1j2o s ARG 46 CO 0.00 -1.97 1.36 -1.17 0.02 0.00 0.00 175.30 173.54 1j2o s LEU 47 N 3.96 4.67 0.38 2.53 1.98 0.96 -4.74 118.68 128.43 1j2o s LEU 47 Ca 0.37 -2.35 0.01 0.00 -2.89 0.00 0.00 54.13 49.27 1j2o s LEU 47 Cb -0.05 -2.45 -0.02 0.00 0.66 0.00 0.00 46.19 44.34 1j2o s LEU 47 CO -0.05 -1.03 0.58 -0.72 -1.89 0.00 0.00 176.35 173.24 1j2o s TYR 48 N 2.84 3.33 0.21 5.38 -0.85 -1.26 -3.14 117.35 123.86 1j2o s TYR 48 Ca 0.41 0.22 -0.19 0.00 -0.52 0.00 0.00 57.07 56.99 1j2o s TYR 48 Cb -0.02 -2.07 0.03 0.00 0.38 0.00 0.00 41.96 40.28 1j2o s TYR 48 CO -0.04 -0.09 0.57 1.52 -1.52 0.00 0.00 175.55 176.00 1j2o s TYR 49 N -2.39 -0.15 0.35 -3.49 1.13 -1.26 -4.41 117.35 107.13 1j2o s TYR 49 Ca 0.44 -0.20 0.01 0.00 -1.41 0.00 0.00 57.07 55.91 1j2o s TYR 49 Cb -0.10 0.46 -0.03 0.00 -1.10 0.00 0.00 41.96 41.20 1j2o s TYR 49 CO 0.36 -0.98 0.54 0.15 -2.51 0.00 0.00 175.55 173.11 1j2o s LYS 50 N -3.88 3.41 0.17 -3.49 -0.14 0.14 -4.96 119.74 110.99 1j2o s LYS 50 Ca 0.10 -0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 54.24 1j2o s LYS 50 Cb -0.02 -2.68 0.32 0.00 -1.68 0.00 0.00 37.83 33.77 1j2o s LYS 50 CO -0.01 0.13 0.92 1.47 -0.76 0.00 0.00 175.35 177.09 1j2o n LEU 51 N -1.77 -0.17 -1.08 3.17 -0.00 -1.26 -1.56 117.00 114.33 1j2o n LEU 51 Ca -0.04 1.01 0.03 0.00 -0.00 0.00 0.00 56.01 57.00 1j2o n LEU 51 Cb 0.57 -0.32 0.02 0.00 -0.00 0.00 0.00 43.42 43.69 1j2o n LEU 51 CO 0.48 -0.98 0.15 0.61 -0.00 0.00 0.00 177.39 177.65 1j2o n GLY 52 N -1.35 1.06 3.06 1.47 0.00 -1.26 -5.08 105.19 103.09 1j2o n GLY 52 Ca 0.11 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1j2o n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j2o s ARG 53 N -0.18 0.57 -0.37 1.61 0.52 -0.60 -5.12 118.95 115.37 1j2o s ARG 53 Ca 0.22 -0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 54.65 1j2o s ARG 53 Cb 0.25 -0.40 0.05 0.00 0.52 0.00 0.00 34.95 35.37 1j2o s ARG 53 CO -0.10 0.08 0.18 -1.59 0.02 0.00 0.00 175.30 173.89 1j2o s LYS 54 N -1.39 2.61 0.29 3.54 0.00 -1.26 0.24 119.74 123.77 1j2o s LYS 54 Ca -0.07 -1.29 -0.16 0.00 0.00 0.00 0.00 55.97 54.45 1j2o s LYS 54 Cb -0.09 -3.61 0.01 0.00 0.00 0.00 0.00 37.83 34.14 1j2o s LYS 54 CO 0.01 -0.79 0.62 -0.48 0.00 0.00 0.00 175.35 174.71 1j2o s LEU 55 N 1.42 0.08 0.00 2.77 2.34 -1.26 -3.49 118.68 120.54 1j2o s LEU 55 Ca 0.01 -0.87 -0.09 0.00 0.06 0.00 0.00 54.13 53.24 1j2o s LEU 55 Cb -0.21 2.30 0.12 0.00 -0.56 0.00 0.00 46.19 47.84 1j2o s LEU 55 CO 0.03 -1.32 0.68 0.00 -1.06 0.00 0.00 176.35 174.68 1j2o n ARG 57 N -2.46 0.40 -0.10 0.00 3.00 -1.26 -2.85 116.66 113.39 1j2o n ARG 57 Ca 0.09 -0.23 -0.19 0.00 -0.00 0.00 0.00 57.85 57.51 1j2o n ARG 57 Cb 0.30 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.16 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 -1.10 0.55 0.00 -0.14 5.12 -1.26 -3.13 116.66 116.70 1j2o n ARG 58 Ca 0.09 0.56 0.13 0.00 -1.93 0.00 0.00 57.85 56.70 1j2o n ARG 58 Cb 0.34 -1.73 0.59 0.00 -1.16 0.00 0.00 32.46 30.50 1j2o n ARG 58 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1j2o n ASP 59 N -4.46 0.00 0.02 0.55 5.68 -1.18 -1.44 116.55 115.72 1j2o n ASP 59 Ca -0.29 0.27 -0.19 0.00 -0.50 0.00 0.00 54.79 54.08 1j2o n ASP 59 Cb 0.62 -0.42 -0.11 0.00 -1.14 0.00 0.00 41.12 40.08 1j2o n ASP 59 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1j2o h TYR 60 N 0.00 0.84 -0.00 2.11 3.20 -1.66 -3.34 116.97 118.11 1j2o h TYR 60 Ca 0.00 -0.45 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 1j2o h TYR 60 Cb 0.37 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1j2o h TYR 60 CO 0.00 1.28 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.71 1j2o h LEU 61 N 0.16 0.03 0.00 2.82 3.38 -1.34 -3.49 115.31 116.87 1j2o h LEU 61 Ca -0.10 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1j2o h LEU 61 Cb 1.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1j2o h LEU 61 CO 0.16 0.73 0.00 -1.14 0.09 0.00 0.00 178.44 178.28 1j2o n ARG 62 N -4.72 0.00 0.00 1.13 3.00 -0.52 -4.91 116.66 110.64 1j2o n ARG 62 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1j2o n ARG 62 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.82 1j2o n ARG 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1j2o n LEU 63 N -0.32 2.09 0.04 6.15 -0.00 -1.18 -4.33 117.00 119.45 1j2o n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1j2o n LEU 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1j2o n LEU 63 CO 0.00 0.35 0.00 0.61 -0.00 0.00 0.00 177.39 178.35 1j2o n GLY 64 N 2.92 -0.02 0.00 1.47 0.00 -1.20 -3.13 105.19 105.23 1j2o n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.44 2.63 0.08 -0.02 0.00 -1.26 -4.08 105.19 105.98 1j2o n GLY 65 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.57 -2.64 1.61 3.41 -1.26 -3.28 113.62 112.03 1j2o n SER 66 Ca 0.00 0.22 -0.12 0.00 -0.26 0.00 0.00 58.87 58.71 1j2o n SER 66 Cb 0.00 0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 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 1.21 -0.09 0.86 5.00 0.00 -1.26 -4.70 105.19 106.21 1j2o n GLY 67 Ca -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.94 -0.11 0.00 -0.02 0.00 -1.26 -5.07 105.19 97.78 1j2o n GLY 68 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j2o n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j2o n HIS 69 N -3.49 0.00 -0.07 1.61 8.25 -1.26 -5.02 115.22 115.23 1j2o n HIS 69 Ca -0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.32 1j2o n HIS 69 Cb 0.30 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.32 1j2o n HIS 69 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1j2o n MET 70 N 0.00 1.19 -0.09 -0.41 0.00 -1.26 -5.11 117.12 111.44 1j2o n MET 70 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1j2o n MET 70 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1j2o n MET 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1j2o n GLY 71 N 2.48 0.51 0.85 3.03 0.00 -1.26 -4.88 105.19 105.91 1j2o n GLY 71 Ca -0.24 -1.11 0.10 0.00 0.00 0.00 0.00 46.02 44.77 1j2o n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j2o n SER 72 N 0.00 2.52 -0.11 1.61 3.41 -1.26 -4.21 113.62 115.58 1j2o n SER 72 Ca 0.00 -1.88 -0.22 0.00 -0.26 0.00 0.00 58.87 56.51 1j2o n SER 72 Cb 0.00 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 1j2o n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2o n GLY 73 N 1.30 -0.39 0.00 5.00 0.00 -1.26 -3.56 105.19 106.28 1j2o n GLY 73 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.58 1.76 3.66 -0.02 0.00 -1.26 -4.84 105.19 106.07 1j2o n GLY 74 Ca -0.40 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 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 0.00 6.77 -0.27 1.61 2.15 -1.26 -4.80 116.67 120.88 1j2o s ASP 75 Ca 0.00 1.91 -0.14 0.00 0.43 0.00 0.00 52.55 54.75 1j2o s ASP 75 Cb 0.00 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1j2o s ASP 75 CO 0.00 -0.88 0.31 -0.69 -0.17 0.00 0.00 175.17 173.74 1j2o s VAL 76 N 3.89 5.22 0.55 1.11 1.01 -1.26 -5.08 120.40 125.84 1j2o s VAL 76 Ca 0.64 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 1j2o s VAL 76 Cb -0.27 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1j2o s VAL 76 CO 0.22 0.20 0.93 -0.04 0.00 0.00 0.00 175.10 176.41 1j2o s MET 77 N 1.91 3.64 -1.49 2.72 1.00 -1.26 -4.95 119.30 120.86 1j2o s MET 77 Ca 0.12 0.58 -0.12 0.00 0.00 0.00 0.00 55.69 56.27 1j2o s MET 77 Cb -0.16 -2.20 0.02 0.00 0.00 0.00 0.00 34.83 32.49 1j2o s MET 77 CO 0.10 -0.38 2.41 0.28 0.00 0.00 0.00 175.02 177.43 1j2o n VAL 78 N -2.35 3.85 -0.77 -6.03 0.31 -1.26 -4.10 118.33 107.99 1j2o n VAL 78 Ca 0.04 -3.07 0.00 0.00 -0.01 0.00 0.00 64.34 61.31 1j2o n VAL 78 Cb 0.54 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 1j2o n VAL 78 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1j2o n VAL 79 N 4.38 0.23 0.00 2.52 3.14 -1.26 -5.02 118.33 122.32 1j2o n VAL 79 Ca 0.59 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.74 1j2o n VAL 79 Cb 0.34 0.89 0.00 0.00 -1.06 0.00 0.00 33.84 34.00 1j2o n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j2o n GLY 80 N -0.12 0.77 3.68 7.55 0.00 -1.26 -5.04 105.19 110.78 1j2o n GLY 80 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 2.76 -1.42 1.61 4.71 -1.26 -5.00 120.64 122.04 1j2o n GLU 81 Ca 0.00 1.01 -0.15 0.00 -0.01 0.00 0.00 57.16 58.01 1j2o n GLU 81 Cb 0.00 -2.91 0.09 0.00 -1.01 0.00 0.00 31.44 27.61 1j2o n GLU 81 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1j2o n PRO 82 N 6.07 -0.26 -3.21 3.49 -0.04 -1.26 -3.75 135.00 136.03 1j2o n PRO 82 Ca 0.19 -1.38 -0.40 0.00 -0.04 0.00 0.00 63.50 61.87 1j2o n PRO 82 Cb 0.37 -0.58 -0.07 0.00 -0.04 0.00 0.00 33.50 33.18 1j2o n PRO 82 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1j2o s THR 83 N -2.16 5.03 -0.14 0.52 -1.32 -1.26 -2.52 115.64 113.79 1j2o s THR 83 Ca 0.41 0.78 0.02 0.00 -1.21 0.00 0.00 61.69 61.69 1j2o s THR 83 Cb -0.02 -3.89 0.01 0.00 -1.51 0.00 0.00 72.50 67.09 1j2o s THR 83 CO 0.28 -0.02 -0.21 -0.76 -2.21 0.00 0.00 174.62 171.70 1j2o s LEU 84 N 2.39 2.17 -0.23 9.08 1.43 -1.26 -4.90 118.68 127.36 1j2o s LEU 84 Ca 0.22 -0.58 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1j2o s LEU 84 Cb -0.15 -1.47 0.62 0.00 0.03 0.00 0.00 46.19 45.22 1j2o s LEU 84 CO 0.10 0.08 1.55 0.80 0.23 0.00 0.00 176.35 179.12 1j2o n MET 85 N 4.10 3.56 0.00 1.70 1.56 -1.26 -4.30 117.12 122.47 1j2o n MET 85 Ca -0.20 -2.47 0.00 0.00 -0.27 0.00 0.00 57.70 54.76 1j2o n MET 85 Cb 0.51 -2.07 0.00 0.00 2.15 0.00 0.00 33.22 33.82 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 0.16 0.53 0.00 -5.12 0.00 -1.25 -5.01 105.19 94.49 1j2o n GLY 86 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1j2o n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 87 N 5.00 -0.27 3.51 -0.02 0.00 -1.23 -4.68 105.19 107.50 1j2o n GLY 87 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.83 3.29 0.80 1.61 8.01 -1.26 -4.54 118.70 125.78 1j2o s GLU 88 Ca 0.00 -0.78 -0.12 0.00 0.01 0.00 0.00 54.97 54.09 1j2o s GLU 88 Cb 0.00 -4.50 0.07 0.00 -4.31 0.00 0.00 34.13 25.39 1j2o s GLU 88 CO 0.00 -2.01 1.13 -0.06 0.01 0.00 0.00 175.26 174.33 1j2o s PHE 89 N 4.69 2.92 0.00 1.61 0.08 -1.26 -4.07 117.98 121.95 1j2o s PHE 89 Ca 0.33 0.93 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1j2o s PHE 89 Cb -0.09 -3.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 1j2o s PHE 89 CO 0.06 -1.76 0.00 0.41 -0.10 0.00 0.00 175.22 173.83 1j2o n GLY 90 N -2.73 0.36 0.00 4.36 0.00 -1.09 -4.89 105.19 101.20 1j2o n GLY 90 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1j2o n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j2o n ASP 91 N 0.00 0.00 0.00 1.61 5.75 -1.05 -4.87 116.55 117.99 1j2o n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1j2o n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1j2o n ASP 91 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j2o n GLU 92 N -0.48 0.00 -2.02 0.11 1.02 -1.26 -3.76 120.64 114.25 1j2o n GLU 92 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1j2o n GLU 92 Cb 0.00 -0.14 0.05 0.00 -0.02 0.00 0.00 31.44 31.33 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 0.96 1.72 -4.84 1.62 2.03 -1.26 -5.10 116.55 111.68 1j2o n ASP 93 Ca 0.00 -2.38 -0.31 0.00 0.52 0.00 0.00 54.79 52.62 1j2o n ASP 93 Cb 0.00 -0.40 0.04 0.00 -0.72 0.00 0.00 41.12 40.04 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1j2o s GLU 94 N -2.26 2.99 0.16 -0.67 4.04 -1.25 -4.50 118.70 117.21 1j2o s GLU 94 Ca 0.33 0.76 -0.05 0.00 0.04 0.00 0.00 54.97 56.05 1j2o s GLU 94 Cb 0.36 -2.01 0.02 0.00 0.02 0.00 0.00 34.13 32.52 1j2o s GLU 94 CO -0.08 -1.01 0.30 -2.13 -1.84 0.00 0.00 175.26 170.49 1j2o n ARG 95 N -3.04 0.43 -1.93 -4.83 0.63 -1.19 -4.90 116.66 101.83 1j2o n ARG 95 Ca 0.07 -0.95 -0.06 0.00 -0.92 0.00 0.00 57.85 55.99 1j2o n ARG 95 Cb 0.55 1.13 0.00 0.00 0.45 0.00 0.00 32.46 34.59 1j2o n ARG 95 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1j2o n LEU 96 N 0.00 0.00 -3.75 6.15 4.77 -1.26 -0.03 117.00 122.88 1j2o n LEU 96 Ca -0.03 -0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 55.19 1j2o n LEU 96 Cb 0.24 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1j2o n LEU 96 CO 0.11 -0.36 0.02 0.27 -1.33 0.00 0.00 177.39 176.10 1j2o s ILE 97 N -0.48 0.00 -0.13 -0.08 -5.25 -1.26 -4.65 121.20 109.35 1j2o s ILE 97 Ca 0.08 -0.03 0.02 0.00 -0.99 0.00 0.00 60.65 59.73 1j2o s ILE 97 Cb -0.01 -0.50 0.00 0.00 2.95 0.00 0.00 42.46 44.91 1j2o s ILE 97 CO 0.05 -0.01 -0.19 -0.89 -1.79 0.00 0.00 174.94 172.11 1j2o s THR 98 N 0.10 2.38 -0.56 8.37 2.01 -0.35 -4.98 115.64 122.61 1j2o s THR 98 Ca -0.01 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 1j2o s THR 98 Cb -0.03 -1.97 0.11 0.00 0.01 0.00 0.00 72.50 70.62 1j2o s THR 98 CO 0.01 0.54 0.60 -0.13 -0.69 0.00 0.00 174.62 174.94 1j2o s ARG 99 N 0.63 3.03 0.51 4.92 0.52 -1.26 -1.08 118.95 126.21 1j2o s ARG 99 Ca -0.10 -1.42 0.08 0.00 -0.52 0.00 0.00 55.73 53.78 1j2o s ARG 99 Cb -0.16 -4.25 0.04 0.00 0.52 0.00 0.00 34.95 31.10 1j2o s ARG 99 CO 0.03 -1.39 0.62 -1.17 0.02 0.00 0.00 175.30 173.40 1j2o s LEU 100 N 2.21 3.24 -0.09 2.53 2.96 0.23 -4.42 118.68 125.34 1j2o s LEU 100 Ca 0.08 -0.77 -0.04 0.00 -0.22 0.00 0.00 54.13 53.18 1j2o s LEU 100 Cb -0.26 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1j2o s LEU 100 CO 0.06 -1.06 0.09 -1.61 -1.32 0.00 0.00 176.35 172.51 1j2o s GLU 101 N -4.45 3.23 0.05 1.98 2.02 -1.26 -0.53 118.70 119.74 1j2o s GLU 101 Ca 0.54 -0.28 -0.00 0.00 0.02 0.00 0.00 54.97 55.25 1j2o s GLU 101 Cb -0.06 -3.00 -0.26 0.00 0.10 0.00 0.00 34.13 30.90 1j2o s GLU 101 CO 0.33 0.73 1.05 -0.97 0.02 0.00 0.00 175.26 176.43 1j2o h ASN 102 N 4.87 0.29 0.00 -0.19 -1.24 -1.59 -3.46 115.58 114.27 1j2o h ASN 102 Ca -0.52 -0.35 0.00 0.00 0.71 0.00 0.00 56.30 56.14 1j2o h ASN 102 Cb 1.21 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1j2o h ASN 102 CO 0.58 1.28 0.00 0.35 -1.29 0.00 0.00 177.43 178.35 1j2o n THR 103 N -3.43 0.00 -3.04 -3.57 -2.24 -1.24 -4.98 114.28 95.77 1j2o n THR 103 Ca -0.10 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1j2o n THR 103 Cb 1.01 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.49 0.43 0.15 -0.78 -2.07 -1.26 -4.97 119.66 112.65 1j2o s GLN 104 Ca 0.00 0.01 0.00 0.00 -1.82 0.00 0.00 55.36 53.55 1j2o s GLN 104 Cb 0.00 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 1j2o s GLN 104 CO 0.00 -0.67 0.00 0.34 -1.32 0.00 0.00 175.29 173.64 1j2o n PHE 105 N 4.47 -0.99 0.02 9.60 -0.00 -1.26 -4.51 117.46 124.79 1j2o n PHE 105 Ca 0.08 0.17 -0.01 0.00 -0.00 0.00 0.00 57.45 57.69 1j2o n PHE 105 Cb 0.59 0.28 -0.00 0.00 -0.00 0.00 0.00 39.48 40.34 1j2o n PHE 105 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1j2o h ASP 106 N 0.00 -0.05 0.00 -2.13 1.82 -1.97 -3.44 116.42 110.65 1j2o h ASP 106 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1j2o h ASP 106 Cb 0.12 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1j2o h ASP 106 CO 0.00 -0.04 0.00 0.00 -1.61 0.00 0.00 179.24 177.59 1j2o n ALA 107 N -2.03 0.08 0.40 -0.78 0.00 -1.26 -4.80 120.51 112.11 1j2o n ALA 107 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1j2o n ALA 107 Cb 0.02 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.02 1.55 -1.63 0.00 0.00 -1.26 -0.17 120.51 118.98 1j2o n ALA 108 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1j2o n ALA 108 Cb 0.08 -1.24 0.17 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.68 2.73 0.03 0.00 5.15 -1.26 -4.84 115.26 115.39 1j2o n ASN 109 Ca 0.03 -3.84 0.00 0.00 -0.60 0.00 0.00 54.58 50.16 1j2o n ASN 109 Cb 0.15 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 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 -1.04 -1.89 0.00 8.20 0.00 -0.61 -5.03 105.19 104.82 1j2o n GLY 110 Ca 0.30 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -2.39 0.00 -3.68 -0.61 2.08 0.76 -5.10 119.36 110.43 1j2o n ILE 111 Ca 0.00 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.21 1j2o n ILE 111 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 38.79 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1j2o s ASP 112 N -1.00 -0.61 -0.04 4.38 2.15 -0.94 -4.80 116.67 115.80 1j2o s ASP 112 Ca 0.00 1.05 -0.33 0.00 0.43 0.00 0.00 52.55 53.71 1j2o s ASP 112 Cb 0.00 0.95 -0.11 0.00 -0.30 0.00 0.00 42.92 43.47 1j2o s ASP 112 CO 0.00 -0.20 1.92 -0.67 -0.17 0.00 0.00 175.17 176.05 1j2o n ASP 113 N 4.01 3.72 0.00 -0.34 2.03 -1.26 -4.60 116.55 120.10 1j2o n ASP 113 Ca -0.21 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.05 1j2o n ASP 113 Cb 0.56 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1j2o n ASP 113 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49