#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2o s SER 2 N 0.00 5.48 0.23 1.61 0.01 -1.26 -5.12 113.70 114.65 1j2o s SER 2 Ca 0.00 0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.47 1j2o s SER 2 Cb 0.00 -1.19 0.04 0.00 0.21 0.00 0.00 66.02 65.08 1j2o s SER 2 CO 0.00 -1.00 0.31 0.18 0.41 0.00 0.00 173.24 173.14 1j2o n LEU 3 N -2.29 0.00 -4.90 2.44 4.32 -1.26 -5.11 117.00 110.19 1j2o n LEU 3 Ca 0.05 -1.03 -0.28 0.00 -0.02 0.00 0.00 56.01 54.74 1j2o n LEU 3 Cb 0.59 -0.16 -0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1j2o n LEU 3 CO 0.47 -0.57 0.44 -0.76 -1.22 0.00 0.00 177.39 175.75 1j2o s LEU 4 N 0.00 3.66 -0.04 2.23 1.43 -1.26 -4.93 118.68 119.76 1j2o s LEU 4 Ca 0.23 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 1j2o s LEU 4 Cb -0.02 -3.89 -0.00 0.00 0.03 0.00 0.00 46.19 42.31 1j2o s LEU 4 CO 0.15 -0.55 -0.17 0.42 0.23 0.00 0.00 176.35 176.43 1j2o s THR 5 N -2.69 1.41 0.11 5.49 -4.23 -1.26 0.23 115.64 114.69 1j2o s THR 5 Ca 0.48 -0.71 -0.23 0.00 -1.18 0.00 0.00 61.69 60.05 1j2o s THR 5 Cb -0.10 -1.21 -0.07 0.00 1.34 0.00 0.00 72.50 72.45 1j2o s THR 5 CO 0.43 0.41 0.69 0.00 -0.54 0.00 0.00 174.62 175.61 1j2o n GLY 7 N 1.78 -1.26 0.10 0.00 0.00 0.54 0.08 105.19 106.43 1j2o n GLY 7 Ca -0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.53 -0.93 0.27 -0.02 0.00 -1.26 -4.72 105.19 99.06 1j2o n GLY 8 Ca 0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.04 -1.23 -0.91 0.00 1.13 0.11 -4.84 117.38 107.59 1j2o n GLN 10 Ca -0.46 0.77 0.02 0.00 -1.94 0.00 0.00 57.00 55.38 1j2o n GLN 10 Cb 0.83 -4.90 0.35 0.00 0.11 0.00 0.00 30.24 26.63 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j2o n GLN 11 N -1.54 4.20 -0.90 -1.09 10.64 -1.26 -4.88 117.38 122.55 1j2o n GLN 11 Ca -0.09 -3.12 0.00 0.00 -1.83 0.00 0.00 57.00 51.96 1j2o n GLN 11 Cb 0.45 -2.20 0.00 0.00 -0.86 0.00 0.00 30.24 27.62 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 0.16 -5.42 -4.48 2.61 5.15 -1.26 -4.87 115.26 107.15 1j2o n ASN 12 Ca 0.33 0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 54.50 1j2o n ASN 12 Cb 1.25 -1.90 -0.04 0.00 -0.53 0.00 0.00 39.78 38.56 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 -1.34 4.31 -1.20 -1.44 1.01 0.13 -4.84 121.20 117.83 1j2o s ILE 13 Ca 0.00 -0.08 0.16 0.00 0.00 0.00 0.00 60.65 60.73 1j2o s ILE 13 Cb 0.00 -4.65 0.50 0.00 0.01 0.00 0.00 42.46 38.32 1j2o s ILE 13 CO 0.00 -1.36 1.42 0.61 0.00 0.00 0.00 174.94 175.61 1j2o n GLY 14 N 5.26 2.80 3.58 6.18 0.00 -1.26 -4.34 105.19 117.41 1j2o n GLY 14 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.07 0.58 -0.08 1.61 1.11 -1.26 -4.13 116.67 113.44 1j2o s ASP 15 Ca 0.37 0.51 0.12 0.00 0.18 0.00 0.00 52.55 53.73 1j2o s ASP 15 Cb 0.21 -0.65 -0.23 0.00 1.07 0.00 0.00 42.92 43.32 1j2o s ASP 15 CO 0.22 -4.32 0.54 -2.11 1.18 0.00 0.00 175.17 170.67 1j2o n ARG 16 N -4.88 0.65 -4.42 8.23 1.85 -1.26 -4.61 116.66 112.22 1j2o n ARG 16 Ca 0.15 0.25 -0.22 0.00 -1.00 0.00 0.00 57.85 57.02 1j2o n ARG 16 Cb 0.60 -1.74 -0.10 0.00 -1.05 0.00 0.00 32.46 30.17 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 -2.58 2.09 0.15 2.89 5.04 -1.26 -1.04 117.35 122.64 1j2o s TYR 17 Ca -0.07 -0.41 -0.23 0.00 -2.44 0.00 0.00 57.07 53.91 1j2o s TYR 17 Cb 0.08 -0.93 0.07 0.00 0.35 0.00 0.00 41.96 41.53 1j2o s TYR 17 CO 0.82 0.58 0.61 -0.59 -1.34 0.00 0.00 175.55 175.63 1j2o s PHE 18 N -2.62 -0.54 0.00 4.97 -0.71 -0.07 -4.73 117.98 114.29 1j2o s PHE 18 Ca 0.27 0.34 0.06 0.00 -1.04 0.00 0.00 56.93 56.56 1j2o s PHE 18 Cb -0.04 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1j2o s PHE 18 CO 0.12 -0.83 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.46 1j2o s LEU 19 N -2.70 2.08 -0.16 -1.99 2.01 -1.21 -0.70 118.68 116.00 1j2o s LEU 19 Ca 0.01 -0.40 -0.28 0.00 0.01 0.00 0.00 54.13 53.47 1j2o s LEU 19 Cb -0.01 -0.96 0.08 0.00 0.01 0.00 0.00 46.19 45.31 1j2o s LEU 19 CO -0.12 0.21 0.75 -1.59 1.01 0.00 0.00 176.35 176.60 1j2o s LYS 20 N -0.67 0.90 0.00 1.70 0.00 -1.26 -0.10 119.74 120.32 1j2o s LYS 20 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.59 1j2o s LYS 20 Cb -0.08 0.43 0.00 0.00 0.00 0.00 0.00 37.83 38.18 1j2o s LYS 20 CO 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 175.35 175.14 1j2o n ALA 21 N 1.64 0.00 -0.34 0.59 0.00 -1.18 -3.95 120.51 117.27 1j2o n ALA 21 Ca -0.16 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.48 1j2o n ALA 21 Cb 0.56 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.45 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 0.50 0.00 0.00 2.04 -1.83 -3.43 117.51 114.79 1j2o h ILE 22 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1j2o h ILE 22 Cb 0.00 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1j2o h ILE 22 CO 0.00 0.09 0.00 -0.67 0.00 0.00 0.00 178.15 177.57 1j2o n ASP 23 N -4.82 0.00 -1.84 1.72 2.03 -1.26 0.09 116.55 112.47 1j2o n ASP 23 Ca 0.27 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.52 1j2o n ASP 23 Cb 0.82 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.20 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 0.52 -3.80 -0.67 0.00 -1.26 -5.09 117.38 107.09 1j2o n GLN 24 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 57.00 55.90 1j2o n GLN 24 Cb 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 30.24 30.77 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 -2.10 3.48 0.00 2.61 2.02 -1.23 -3.09 117.35 119.05 1j2o s TYR 25 Ca 0.07 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1j2o s TYR 25 Cb 0.00 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1j2o s TYR 25 CO 0.05 0.42 0.00 0.91 -1.57 0.00 0.00 175.55 175.36 1j2o n TRP 26 N -0.78 -0.05 -4.18 2.71 7.02 0.86 -0.34 117.44 122.69 1j2o n TRP 26 Ca -0.06 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.13 1j2o n TRP 26 Cb 0.54 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.40 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 -2.09 1.68 0.03 -5.99 3.76 -1.25 -3.36 115.29 108.06 1j2o s HIS 27 Ca 0.00 -0.89 -0.25 0.00 -0.15 0.00 0.00 55.06 53.77 1j2o s HIS 27 Cb 0.00 -1.81 -0.17 0.00 1.11 0.00 0.00 32.58 31.71 1j2o s HIS 27 CO 0.00 -0.25 1.42 0.93 -0.85 0.00 0.00 174.74 175.99 1j2o h GLU 28 N 0.94 -0.21 -0.31 1.40 5.08 -1.89 -0.97 114.58 118.61 1j2o h GLU 28 Ca -0.39 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1j2o h GLU 28 Cb 1.31 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1j2o h GLU 28 CO 0.63 0.06 0.00 -3.47 -1.00 0.00 0.00 179.01 175.23 1j2o n ASP 29 N -5.07 1.97 -0.12 1.42 2.03 -1.26 -4.00 116.55 111.52 1j2o n ASP 29 Ca -0.09 -1.90 -0.22 0.00 0.52 0.00 0.00 54.79 53.09 1j2o n ASP 29 Cb 0.20 -0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 -4.34 6.53 0.00 0.00 0.00 -0.39 -3.38 117.00 115.43 1j2o n LEU 31 Ca -0.40 -4.37 0.00 0.00 0.00 0.00 0.00 56.01 51.24 1j2o n LEU 31 Cb 0.74 -1.58 0.00 0.00 0.00 0.00 0.00 43.42 42.58 1j2o n LEU 31 CO 0.10 1.14 0.00 -1.20 0.00 0.00 0.00 177.39 177.43 1j2o n SER 32 N 5.22 0.00 -4.53 1.96 7.64 -1.26 -4.94 113.62 117.71 1j2o n SER 32 Ca 0.45 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 60.08 1j2o n SER 32 Cb 0.38 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.48 1j2o n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j2o n ASP 34 N -0.80 1.66 -0.12 0.00 2.03 -0.16 0.95 116.55 120.12 1j2o n ASP 34 Ca -0.04 0.45 -0.02 0.00 0.52 0.00 0.00 54.79 55.70 1j2o n ASP 34 Cb 0.65 -0.77 0.23 0.00 -0.72 0.00 0.00 41.12 40.51 1j2o n ASP 34 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1j2o h LEU 35 N -0.89 0.73 -1.24 -2.67 5.85 -1.88 -0.89 115.31 114.32 1j2o h LEU 35 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1j2o h LEU 35 Cb 0.67 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1j2o h LEU 35 CO 0.00 0.69 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 1j2o n GLY 37 N -0.66 0.95 0.00 0.00 0.00 -0.34 -5.03 105.19 100.12 1j2o n GLY 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.26 0.00 -2.45 0.00 0.63 0.27 -4.93 116.66 108.92 1j2o n ARG 39 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 1j2o n ARG 39 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 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 0.00 -1.89 0.00 6.15 4.32 -1.22 -3.70 117.00 120.66 1j2o n LEU 40 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1j2o n LEU 40 Cb 0.00 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 1j2o n LEU 40 CO 0.00 -0.39 0.00 0.61 -1.22 0.00 0.00 177.39 176.39 1j2o n GLY 41 N 0.37 1.37 0.00 -0.72 0.00 -1.26 -3.81 105.19 101.15 1j2o n GLY 41 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 -3.98 1.61 -0.00 -1.26 -4.70 120.64 112.30 1j2o n GLU 42 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 1j2o n GLU 42 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.42 1j2o n GLU 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1j2o s VAL 43 N 0.00 0.00 0.05 3.84 0.11 -1.26 -5.09 120.40 118.05 1j2o s VAL 43 Ca 0.00 -1.37 -0.07 0.00 -2.93 0.00 0.00 61.98 57.61 1j2o s VAL 43 Cb 0.00 -2.60 0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1j2o s VAL 43 CO 0.00 0.00 0.35 0.61 -3.33 0.00 0.00 175.10 172.73 1j2o n GLY 44 N -0.51 0.96 2.03 6.54 0.00 -1.26 -5.05 105.19 107.89 1j2o n GLY 44 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.25 0.00 -3.26 1.61 0.63 -1.17 -5.03 116.66 109.19 1j2o n ARG 45 Ca -0.00 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.47 1j2o n ARG 45 Cb 0.19 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.09 1j2o n ARG 45 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1j2o s ARG 46 N -1.26 3.92 0.00 -0.14 0.52 0.11 -4.91 118.95 117.19 1j2o s ARG 46 Ca 0.00 -2.76 0.00 0.00 -0.52 0.00 0.00 55.73 52.45 1j2o s ARG 46 Cb 0.00 -4.59 0.00 0.00 0.52 0.00 0.00 34.95 30.88 1j2o s ARG 46 CO 0.00 -1.36 0.00 -0.11 0.02 0.00 0.00 175.30 173.85 1j2o n LEU 47 N 3.79 0.00 -4.54 2.53 7.94 -1.26 -3.58 117.00 121.88 1j2o n LEU 47 Ca 0.22 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.70 1j2o n LEU 47 Cb 0.43 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.35 1j2o n LEU 47 CO 0.44 0.00 1.23 -0.47 -1.11 0.00 0.00 177.39 177.48 1j2o s TYR 48 N -1.28 2.42 0.25 1.96 5.04 -0.65 -4.96 117.35 120.14 1j2o s TYR 48 Ca 0.00 -0.39 0.10 0.00 -2.44 0.00 0.00 57.07 54.33 1j2o s TYR 48 Cb 0.00 -4.61 -0.05 0.00 0.35 0.00 0.00 41.96 37.65 1j2o s TYR 48 CO 0.00 -1.98 -0.16 1.52 -1.34 0.00 0.00 175.55 173.59 1j2o s TYR 49 N 5.25 2.04 0.70 4.97 -0.85 -1.26 -4.62 117.35 123.58 1j2o s TYR 49 Ca 0.38 -0.47 -0.11 0.00 -0.52 0.00 0.00 57.07 56.35 1j2o s TYR 49 Cb -0.06 -0.95 0.02 0.00 0.38 0.00 0.00 41.96 41.35 1j2o s TYR 49 CO 0.06 0.52 1.08 0.15 -1.52 0.00 0.00 175.55 175.84 1j2o s LYS 50 N -3.59 2.72 0.04 -3.49 1.02 0.92 -4.93 119.74 112.43 1j2o s LYS 50 Ca 0.27 0.32 -0.08 0.00 0.02 0.00 0.00 55.97 56.50 1j2o s LYS 50 Cb -0.02 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1j2o s LYS 50 CO 0.12 -1.07 0.45 1.47 -0.92 0.00 0.00 175.35 175.40 1j2o n LEU 51 N -2.98 -0.26 -1.52 3.17 -0.00 -1.26 -1.99 117.00 112.15 1j2o n LEU 51 Ca 0.07 0.51 0.03 0.00 -0.00 0.00 0.00 56.01 56.62 1j2o n LEU 51 Cb 0.58 -0.09 0.06 0.00 -0.00 0.00 0.00 43.42 43.96 1j2o n LEU 51 CO 0.57 -0.39 0.11 0.61 -0.00 0.00 0.00 177.39 178.28 1j2o n GLY 52 N -1.06 2.00 2.98 1.47 0.00 -1.26 -5.01 105.19 104.31 1j2o n GLY 52 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.15 0.32 -1.33 1.61 1.70 -0.84 -5.06 118.95 114.19 1j2o s ARG 53 Ca 0.34 0.63 -0.15 0.00 -0.47 0.00 0.00 55.73 56.08 1j2o s ARG 53 Cb 0.38 -0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.43 1j2o s ARG 53 CO -0.13 -0.53 2.18 1.63 -1.08 0.00 0.00 175.30 177.37 1j2o n LYS 54 N 5.37 2.61 -2.98 3.89 5.02 -1.25 -0.06 118.16 130.76 1j2o n LYS 54 Ca -0.05 -2.45 -0.18 0.00 -2.02 0.00 0.00 58.31 53.60 1j2o n LYS 54 Cb 0.50 -3.21 0.03 0.00 -0.02 0.00 0.00 35.03 32.33 1j2o n LYS 54 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1j2o s LEU 55 N 1.98 3.42 0.58 -0.35 2.34 -1.26 -0.99 118.68 124.41 1j2o s LEU 55 Ca 0.49 -0.54 -0.01 0.00 0.06 0.00 0.00 54.13 54.14 1j2o s LEU 55 Cb 0.14 -2.30 0.04 0.00 -0.56 0.00 0.00 46.19 43.51 1j2o s LEU 55 CO -0.05 -1.02 0.82 0.00 -1.06 0.00 0.00 176.35 175.04 1j2o n ARG 57 N -2.46 0.66 -0.13 0.00 3.00 -1.26 -2.61 116.66 113.86 1j2o n ARG 57 Ca 0.08 0.02 -0.28 0.00 -0.00 0.00 0.00 57.85 57.67 1j2o n ARG 57 Cb 0.60 -1.50 -0.09 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 -1.12 0.57 0.22 -0.14 5.12 -1.26 -3.61 116.66 116.44 1j2o n ARG 58 Ca 0.17 0.25 0.10 0.00 -1.93 0.00 0.00 57.85 56.44 1j2o n ARG 58 Cb 0.14 -1.45 0.38 0.00 -1.16 0.00 0.00 32.46 30.36 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 -0.97 0.00 0.16 0.55 3.04 -1.97 -1.80 116.42 115.43 1j2o h ASP 59 Ca -0.64 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.02 1j2o h ASP 59 Cb 1.56 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.84 1j2o h ASP 59 CO -0.39 0.19 -0.47 0.22 -2.04 0.00 0.00 179.24 176.76 1j2o h TYR 60 N 0.00 0.44 0.00 4.15 5.03 -1.72 -2.33 116.97 122.54 1j2o h TYR 60 Ca -0.00 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.17 1j2o h TYR 60 Cb 0.86 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.05 1j2o h TYR 60 CO 0.00 0.77 0.00 1.25 -1.32 0.00 0.00 178.16 178.86 1j2o h LEU 61 N 0.29 0.00 -1.44 2.82 7.12 -1.39 0.31 115.31 123.03 1j2o h LEU 61 Ca 0.02 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.97 1j2o h LEU 61 Cb 0.93 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.06 1j2o h LEU 61 CO 0.08 0.00 -0.28 0.03 -0.13 0.00 0.00 178.44 178.14 1j2o h ARG 62 N 0.00 0.00 0.00 1.25 -0.00 -1.26 -2.93 114.38 111.43 1j2o h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1j2o h ARG 62 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1j2o h ARG 62 CO 0.00 0.28 -0.08 1.47 0.00 0.00 0.00 179.97 181.64 1j2o n LEU 63 N -3.91 1.16 -1.37 3.04 -0.00 -0.60 -4.04 117.00 111.28 1j2o n LEU 63 Ca -0.02 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1j2o n LEU 63 Cb 0.35 -0.37 0.20 0.00 -0.00 0.00 0.00 43.42 43.61 1j2o n LEU 63 CO 0.36 -0.72 0.67 0.61 -0.00 0.00 0.00 177.39 178.31 1j2o n GLY 64 N 3.34 2.56 0.00 1.47 0.00 0.99 -4.69 105.19 108.86 1j2o n GLY 64 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.18 0.39 0.00 -0.02 0.00 -1.11 -4.83 105.19 99.80 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 -1.14 0.00 0.00 0.00 173.32 172.18 1j2o n SER 66 N 0.00 0.00 -0.01 1.61 3.41 -1.22 -4.97 113.62 112.44 1j2o n SER 66 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1j2o n SER 66 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 4.59 -0.99 0.00 5.00 0.00 -1.26 -4.96 105.19 107.58 1j2o n GLY 67 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1j2o n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 68 N 1.29 1.61 2.39 -0.02 0.00 -1.26 -4.94 105.19 104.26 1j2o n GLY 68 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1j2o n GLY 68 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1j2o n HIS 69 N 0.00 -3.40 0.00 1.61 1.44 -1.26 -4.47 115.22 109.13 1j2o n HIS 69 Ca 0.00 -0.63 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 1j2o n HIS 69 Cb 0.00 -0.91 0.00 0.00 0.12 0.00 0.00 29.99 29.20 1j2o n HIS 69 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1j2o n MET 70 N -4.67 0.00 0.00 -1.40 0.00 -1.26 -4.75 117.12 105.04 1j2o n MET 70 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1j2o n MET 70 Cb 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 33.22 33.12 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 2.13 0.70 2.57 3.03 0.00 -1.26 -2.12 105.19 110.24 1j2o n GLY 71 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1j2o n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j2o n SER 72 N 1.81 -2.96 0.00 1.61 7.64 -1.26 -2.83 113.62 117.63 1j2o n SER 72 Ca 0.00 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.18 1j2o n SER 72 Cb 0.00 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.15 1j2o n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j2o n GLY 73 N 1.27 0.30 0.00 0.23 0.00 0.15 -1.44 105.19 105.69 1j2o n GLY 73 Ca -0.26 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.75 3.78 -0.02 0.00 -1.09 -2.33 105.19 104.79 1j2o n GLY 74 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1j2o n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j2o s ASP 75 N -4.00 7.38 -0.87 1.61 2.15 -1.26 -2.83 116.67 118.85 1j2o s ASP 75 Ca 0.00 1.71 -0.25 0.00 0.43 0.00 0.00 52.55 54.44 1j2o s ASP 75 Cb 0.00 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1j2o s ASP 75 CO 0.00 0.11 1.44 -0.69 -0.17 0.00 0.00 175.17 175.87 1j2o s VAL 76 N -1.32 3.76 0.60 1.11 1.01 -1.26 -4.75 120.40 119.55 1j2o s VAL 76 Ca 0.41 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1j2o s VAL 76 Cb -0.22 -4.84 0.07 0.00 0.00 0.00 0.00 36.38 31.39 1j2o s VAL 76 CO 0.26 -1.76 0.84 -0.04 0.00 0.00 0.00 175.10 174.40 1j2o s MET 77 N 5.59 2.23 0.49 2.72 1.00 -1.26 -4.93 119.30 125.14 1j2o s MET 77 Ca 0.45 -1.04 0.31 0.00 0.00 0.00 0.00 55.69 55.41 1j2o s MET 77 Cb -0.05 -2.47 1.23 0.00 0.00 0.00 0.00 34.83 33.54 1j2o s MET 77 CO 0.03 -0.96 1.91 -0.39 0.00 0.00 0.00 175.02 175.62 1j2o h VAL 78 N -0.08 0.00 -0.24 -6.03 -1.51 -2.01 -1.33 116.25 105.04 1j2o h VAL 78 Ca -0.38 -0.49 -0.08 0.00 -1.23 0.00 0.00 66.70 64.52 1j2o h VAL 78 Cb 1.28 1.44 -0.05 0.00 -2.13 0.00 0.00 31.29 31.84 1j2o h VAL 78 CO 0.46 0.00 -0.07 0.52 -1.23 0.00 0.00 177.57 177.25 1j2o n VAL 79 N -2.92 2.34 0.09 7.19 0.31 -1.26 -4.72 118.33 119.35 1j2o n VAL 79 Ca 0.01 -2.42 -0.13 0.00 -0.01 0.00 0.00 64.34 61.79 1j2o n VAL 79 Cb 0.31 -0.28 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 1j2o n VAL 79 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1j2o h GLY 80 N 1.12 -0.23 -3.04 2.92 0.00 -1.55 -3.49 103.07 98.79 1j2o h GLY 80 Ca 0.10 0.09 0.35 0.00 0.00 0.00 0.00 47.33 47.87 1j2o h GLY 80 CO 0.25 -0.08 -0.67 1.18 0.00 0.00 0.00 176.54 177.21 1j2o n GLU 81 N -5.03 -2.80 -0.37 4.80 -0.58 -1.26 -3.02 120.64 112.38 1j2o n GLU 81 Ca -0.09 1.98 -0.02 0.00 -0.42 0.00 0.00 57.16 58.62 1j2o n GLU 81 Cb 0.23 -3.37 0.03 0.00 -0.57 0.00 0.00 31.44 27.76 1j2o n GLU 81 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1j2o h PRO 82 N -1.26 -0.01 -0.77 3.49 0.11 -1.99 -2.10 132.00 129.46 1j2o h PRO 82 Ca -0.03 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.26 1j2o h PRO 82 Cb 1.24 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 1j2o h PRO 82 CO 0.03 -0.01 0.05 1.15 -0.21 0.00 0.00 178.00 179.01 1j2o h THR 83 N -0.01 0.34 -3.26 -1.15 2.02 -1.89 -3.36 112.91 105.60 1j2o h THR 83 Ca 0.33 -0.04 -0.74 0.00 0.77 0.00 0.00 66.41 66.73 1j2o h THR 83 Cb 0.59 0.21 -0.25 0.00 -1.74 0.00 0.00 68.15 66.96 1j2o h THR 83 CO -0.97 0.02 -0.33 -0.76 0.37 0.00 0.00 175.52 173.86 1j2o s LEU 84 N -10.77 5.73 0.00 2.58 1.43 -0.79 -3.30 118.68 113.56 1j2o s LEU 84 Ca -0.13 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 51.39 1j2o s LEU 84 Cb 0.23 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1j2o s LEU 84 CO 0.76 -0.70 0.00 0.80 0.23 0.00 0.00 176.35 177.44 1j2o n MET 85 N 5.12 0.00 0.00 1.70 1.56 -0.52 -4.41 117.12 120.57 1j2o n MET 85 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.31 1j2o n MET 85 Cb 0.42 -0.54 0.00 0.00 2.15 0.00 0.00 33.22 35.25 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 2.67 -0.83 3.54 -5.12 0.00 -1.13 -4.47 105.19 99.85 1j2o n GLY 86 Ca 0.00 0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 1j2o n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 87 N 0.11 0.64 3.60 -0.02 0.00 -0.90 -2.66 105.19 105.96 1j2o n GLY 87 Ca 0.00 0.81 -0.43 0.00 0.00 0.00 0.00 46.02 46.40 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 6.83 3.45 0.25 1.61 2.02 -1.25 0.29 118.70 131.91 1j2o s GLU 88 Ca 1.04 1.10 0.07 0.00 0.02 0.00 0.00 54.97 57.21 1j2o s GLU 88 Cb -0.48 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 29.61 1j2o s GLU 88 CO 0.38 -1.71 0.18 -0.06 0.02 0.00 0.00 175.26 174.06 1j2o s PHE 89 N 6.09 3.09 0.00 1.61 0.08 -0.98 -4.97 117.98 122.89 1j2o s PHE 89 Ca 0.68 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.62 1j2o s PHE 89 Cb -0.17 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1j2o s PHE 89 CO 0.33 0.53 0.00 0.41 -0.10 0.00 0.00 175.22 176.38 1j2o n GLY 90 N -1.11 -1.39 0.00 4.36 0.00 -1.26 -4.91 105.19 100.88 1j2o n GLY 90 Ca -0.08 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 5.68 -1.26 -5.11 116.55 117.47 1j2o n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1j2o n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1j2o n ASP 91 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1j2o n GLU 92 N -0.23 0.00 -1.11 0.11 0.28 -1.26 -4.97 120.64 113.46 1j2o n GLU 92 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 1j2o n GLU 92 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 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 -1.69 0.56 0.00 -1.84 -0.08 -1.26 -5.09 116.55 107.14 1j2o n ASP 93 Ca 0.00 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.30 1j2o n ASP 93 Cb 0.00 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.22 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1j2o n GLU 94 N 0.30 0.00 -2.98 -0.67 -0.00 -1.26 -1.46 120.64 114.57 1j2o n GLU 94 Ca 0.03 0.00 -0.44 0.00 -0.00 0.00 0.00 57.16 56.75 1j2o n GLU 94 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 32.40 1j2o n GLU 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1j2o s ARG 95 N 0.00 4.04 -0.33 3.44 6.06 -1.26 -1.63 118.95 129.26 1j2o s ARG 95 Ca 0.00 -2.53 -0.29 0.00 -2.50 0.00 0.00 55.73 50.41 1j2o s ARG 95 Cb 0.00 -5.00 0.00 0.00 0.06 0.00 0.00 34.95 30.01 1j2o s ARG 95 CO 0.00 -1.72 1.36 -0.48 -2.50 0.00 0.00 175.30 171.95 1j2o s LEU 96 N 1.48 3.78 -0.11 -0.88 2.34 -0.53 -4.98 118.68 119.77 1j2o s LEU 96 Ca 0.40 1.10 -0.05 0.00 0.06 0.00 0.00 54.13 55.64 1j2o s LEU 96 Cb -0.04 -3.54 0.05 0.00 -0.56 0.00 0.00 46.19 42.11 1j2o s LEU 96 CO -0.02 -1.21 0.24 0.27 -1.06 0.00 0.00 176.35 174.57 1j2o s ILE 97 N 4.78 -0.19 -0.44 1.48 -4.36 -1.26 -4.69 121.20 116.53 1j2o s ILE 97 Ca 0.59 0.22 -0.16 0.00 -0.26 0.00 0.00 60.65 61.03 1j2o s ILE 97 Cb -0.16 -0.38 0.04 0.00 1.25 0.00 0.00 42.46 43.20 1j2o s ILE 97 CO 0.27 0.09 0.39 0.42 0.24 0.00 0.00 174.94 176.34 1j2o s THR 98 N 1.75 5.18 -0.85 8.37 -4.23 -1.25 -5.00 115.64 119.60 1j2o s THR 98 Ca -0.05 -0.68 -0.25 0.00 -1.18 0.00 0.00 61.69 59.54 1j2o s THR 98 Cb -0.11 -4.04 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 1j2o s THR 98 CO -0.08 -0.45 1.90 -0.13 -0.54 0.00 0.00 174.62 175.32 1j2o s ARG 99 N 1.86 2.63 0.42 3.99 1.81 -1.26 -4.06 118.95 124.34 1j2o s ARG 99 Ca 0.07 -0.16 0.07 0.00 -1.72 0.00 0.00 55.73 53.99 1j2o s ARG 99 Cb -0.20 -4.94 0.01 0.00 -0.45 0.00 0.00 34.95 29.37 1j2o s ARG 99 CO 0.10 -3.18 0.58 -1.17 -0.68 0.00 0.00 175.30 170.95 1j2o s LEU 100 N 9.59 3.66 -0.10 2.53 2.96 0.12 -4.94 118.68 132.50 1j2o s LEU 100 Ca 0.68 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1j2o s LEU 100 Cb -0.07 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1j2o s LEU 100 CO 0.03 -0.75 0.01 -1.83 -1.32 0.00 0.00 176.35 172.49 1j2o s GLU 101 N -4.38 3.09 0.46 1.98 -1.05 -1.26 -0.89 118.70 116.65 1j2o s GLU 101 Ca 0.53 -0.40 -0.21 0.00 -0.15 0.00 0.00 54.97 54.74 1j2o s GLU 101 Cb -0.10 -2.83 -0.09 0.00 -0.44 0.00 0.00 34.13 30.67 1j2o s GLU 101 CO 0.33 0.66 1.03 1.21 0.95 0.00 0.00 175.26 179.44 1j2o s ASN 102 N -0.75 6.50 0.07 0.83 3.84 -0.21 -4.87 114.94 120.36 1j2o s ASN 102 Ca 0.12 1.92 -0.25 0.00 0.21 0.00 0.00 52.86 54.86 1j2o s ASN 102 Cb -0.12 -2.56 -0.16 0.00 -0.55 0.00 0.00 41.25 37.86 1j2o s ASN 102 CO 0.02 -0.67 1.65 0.74 -2.79 0.00 0.00 177.10 176.05 1j2o h THR 103 N 1.73 0.94 -0.28 -5.21 2.02 -1.90 -2.37 112.91 107.84 1j2o h THR 103 Ca -0.49 -0.15 -0.44 0.00 0.77 0.00 0.00 66.41 66.09 1j2o h THR 103 Cb 1.21 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 1j2o h THR 103 CO 0.60 0.04 1.34 0.00 0.37 0.00 0.00 175.52 177.86 1j2o n GLN 104 N -5.12 2.87 0.28 6.66 1.13 -1.26 -4.65 117.38 117.28 1j2o n GLN 104 Ca -0.08 -1.83 -0.12 0.00 -1.94 0.00 0.00 57.00 53.03 1j2o n GLN 104 Cb 0.11 -2.34 -0.06 0.00 0.11 0.00 0.00 30.24 28.06 1j2o n GLN 104 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1j2o h PHE 105 N 3.79 -0.80 0.00 1.08 3.57 -1.68 -3.42 116.94 119.48 1j2o h PHE 105 Ca 0.49 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1j2o h PHE 105 Cb 0.89 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1j2o h PHE 105 CO 1.75 -0.46 0.00 -3.47 -2.23 0.00 0.00 178.31 173.91 1j2o n ASP 106 N -4.24 0.00 -1.64 0.41 2.03 -1.26 -4.29 116.55 107.56 1j2o n ASP 106 Ca -0.09 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.07 1j2o n ASP 106 Cb 0.31 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.70 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 2.59 -0.42 0.00 -1.67 0.00 -1.24 -4.85 120.51 114.92 1j2o n ALA 107 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1j2o n ALA 107 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.54 2.87 -0.10 0.00 0.00 -1.26 -4.82 120.51 115.66 1j2o n ALA 108 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1j2o n ALA 108 Cb 0.62 0.42 -0.14 0.00 0.00 0.00 0.00 19.45 20.36 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 -2.85 1.25 0.00 0.00 5.15 -1.26 -5.10 115.26 112.45 1j2o n ASN 109 Ca 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1j2o n ASN 109 Cb 0.42 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 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 2.02 0.65 0.16 8.20 0.00 -1.26 -4.76 105.19 110.20 1j2o n GLY 110 Ca -0.39 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.03 -3.04 -0.61 5.41 -1.26 -3.69 119.36 116.20 1j2o n ILE 111 Ca 0.00 -0.09 -0.44 0.00 1.00 0.00 0.00 62.75 63.22 1j2o n ILE 111 Cb 0.00 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 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 -0.55 5.41 -4.69 4.38 2.03 -1.26 -4.87 116.55 117.00 1j2o n ASP 112 Ca 0.19 -3.04 -0.43 0.00 0.52 0.00 0.00 54.79 52.03 1j2o n ASP 112 Cb 0.17 -1.47 -0.01 0.00 -0.72 0.00 0.00 41.12 39.09 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1j2o n ASP 113 N 4.09 2.71 -0.19 1.67 -0.08 -1.26 -4.61 116.55 118.88 1j2o n ASP 113 Ca 0.32 1.20 0.02 0.00 -1.51 0.00 0.00 54.79 54.82 1j2o n ASP 113 Cb 0.40 -1.47 0.02 0.00 2.34 0.00 0.00 41.12 42.41 1j2o n ASP 113 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53