#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 6.97 0.01 1.61 0.01 -1.26 -4.42 113.70 116.62 1j2o s SER 2 Ca 0.00 1.21 -0.01 0.00 1.31 0.00 0.00 55.95 58.46 1j2o s SER 2 Cb 0.00 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 63.74 1j2o s SER 2 CO 0.00 -0.54 -0.02 0.18 0.41 0.00 0.00 173.24 173.27 1j2o n LEU 3 N 5.90 0.37 -4.64 2.44 4.77 -1.26 -5.08 117.00 119.50 1j2o n LEU 3 Ca 0.08 0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.86 1j2o n LEU 3 Cb 0.47 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1j2o n LEU 3 CO 0.49 -0.54 -0.29 -0.76 -1.33 0.00 0.00 177.39 174.96 1j2o s LEU 4 N -5.62 2.98 -0.09 2.23 1.43 -1.25 -4.99 118.68 113.36 1j2o s LEU 4 Ca -0.02 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1j2o s LEU 4 Cb 0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1j2o s LEU 4 CO 0.03 -0.28 -0.19 0.42 0.23 0.00 0.00 176.35 176.56 1j2o s THR 5 N -2.54 1.67 0.37 5.49 -4.23 -1.26 0.40 115.64 115.54 1j2o s THR 5 Ca 0.35 -0.78 -0.18 0.00 -1.18 0.00 0.00 61.69 59.90 1j2o s THR 5 Cb 0.01 -1.48 -0.10 0.00 1.34 0.00 0.00 72.50 72.27 1j2o s THR 5 CO 0.19 0.47 0.83 0.00 -0.54 0.00 0.00 174.62 175.58 1j2o n GLY 7 N -0.45 0.16 0.10 0.00 0.00 0.07 -2.15 105.19 102.92 1j2o n GLY 7 Ca 0.05 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 1.29 -0.82 0.01 -0.02 0.00 -1.26 -4.64 105.19 99.75 1j2o n GLY 8 Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.02 -1.44 -0.47 0.00 -0.06 -0.91 -4.84 117.38 107.63 1j2o n GLN 10 Ca -0.05 1.17 0.08 0.00 -2.00 0.00 0.00 57.00 56.20 1j2o n GLN 10 Cb 0.41 -5.58 0.29 0.00 -4.06 0.00 0.00 30.24 21.31 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j2o n GLN 11 N -2.51 3.07 -0.23 3.69 10.64 -1.26 -4.84 117.38 125.94 1j2o n GLN 11 Ca -0.21 -2.31 0.00 0.00 -1.83 0.00 0.00 57.00 52.65 1j2o n GLN 11 Cb 0.67 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 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 0.97 -1.65 -4.27 2.61 5.15 -1.26 -4.89 115.26 111.91 1j2o n ASN 12 Ca 0.21 0.23 -0.44 0.00 -0.60 0.00 0.00 54.58 53.98 1j2o n ASN 12 Cb 0.70 0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 40.01 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 -3.28 4.88 -0.49 -1.44 1.01 0.16 -4.75 121.20 117.29 1j2o s ILE 13 Ca 0.00 -1.69 0.16 0.00 0.00 0.00 0.00 60.65 59.12 1j2o s ILE 13 Cb 0.00 -4.14 0.68 0.00 0.01 0.00 0.00 42.46 39.01 1j2o s ILE 13 CO 0.00 -0.85 1.60 0.61 0.00 0.00 0.00 174.94 176.30 1j2o n GLY 14 N 5.02 3.23 3.84 6.18 0.00 -1.26 -3.83 105.19 118.37 1j2o n GLY 14 Ca -0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.17 2.55 -0.06 1.61 1.11 -1.26 -4.18 116.67 115.28 1j2o s ASP 15 Ca 0.48 0.39 0.09 0.00 0.18 0.00 0.00 52.55 53.70 1j2o s ASP 15 Cb 0.36 -0.50 -0.24 0.00 1.07 0.00 0.00 42.92 43.61 1j2o s ASP 15 CO 0.16 -3.09 0.60 -2.11 1.18 0.00 0.00 175.17 171.91 1j2o n ARG 16 N -4.03 0.65 -4.38 8.23 1.85 -1.26 -4.61 116.66 113.11 1j2o n ARG 16 Ca 0.14 0.29 -0.25 0.00 -1.00 0.00 0.00 57.85 57.03 1j2o n ARG 16 Cb 0.59 -1.77 -0.09 0.00 -1.05 0.00 0.00 32.46 30.13 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 -2.59 2.47 0.10 2.89 5.04 -1.26 -0.47 117.35 123.53 1j2o s TYR 17 Ca -0.08 -0.29 -0.25 0.00 -2.44 0.00 0.00 57.07 54.01 1j2o s TYR 17 Cb 0.08 -1.13 0.08 0.00 0.35 0.00 0.00 41.96 41.33 1j2o s TYR 17 CO 0.82 0.61 0.75 -0.59 -1.34 0.00 0.00 175.55 175.80 1j2o s PHE 18 N -2.13 -0.40 0.01 4.97 -0.71 0.01 -4.75 117.98 114.98 1j2o s PHE 18 Ca 0.27 0.20 0.07 0.00 -1.04 0.00 0.00 56.93 56.43 1j2o s PHE 18 Cb -0.07 0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 1j2o s PHE 18 CO 0.15 -0.76 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.56 1j2o s LEU 19 N -2.67 2.09 -0.03 -1.99 2.01 -1.22 -0.52 118.68 116.34 1j2o s LEU 19 Ca 0.04 -0.44 -0.30 0.00 0.01 0.00 0.00 54.13 53.45 1j2o s LEU 19 Cb -0.01 -1.04 0.08 0.00 0.01 0.00 0.00 46.19 45.22 1j2o s LEU 19 CO -0.09 0.22 0.72 -0.75 1.01 0.00 0.00 176.35 177.46 1j2o s LYS 20 N -0.77 1.02 0.00 1.70 2.36 -1.25 0.81 119.74 123.61 1j2o s LYS 20 Ca 0.08 0.12 0.00 0.00 -2.55 0.00 0.00 55.97 53.62 1j2o s LYS 20 Cb -0.08 0.48 0.00 0.00 -1.05 0.00 0.00 37.83 37.18 1j2o s LYS 20 CO 0.00 -0.35 0.00 0.00 1.55 0.00 0.00 175.35 176.56 1j2o n ALA 21 N 0.66 0.00 0.00 3.13 0.00 -1.22 -3.94 120.51 119.15 1j2o n ALA 21 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1j2o n ALA 21 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 0.34 0.00 0.00 2.04 -1.98 -3.44 117.51 114.47 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 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 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 -5.39 0.00 -1.25 1.72 2.03 -1.26 -5.14 116.55 107.25 1j2o n ASP 23 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1j2o n ASP 23 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 1.05 -4.21 -0.67 0.00 -1.26 -5.17 117.38 107.12 1j2o n GLN 24 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.00 56.76 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 -1.34 2.88 0.00 2.61 2.02 -1.24 -3.41 117.35 118.88 1j2o s TYR 25 Ca 0.00 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1j2o s TYR 25 Cb 0.00 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 1j2o s TYR 25 CO 0.00 0.56 0.00 0.91 -1.57 0.00 0.00 175.55 175.45 1j2o n TRP 26 N -0.70 0.00 -4.49 2.71 7.02 0.24 -0.75 117.44 121.48 1j2o n TRP 26 Ca -0.08 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.16 1j2o n TRP 26 Cb 0.57 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.36 1j2o n TRP 26 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1j2o s HIS 27 N -1.50 2.18 0.08 -5.99 3.76 -1.26 -3.42 115.29 109.14 1j2o s HIS 27 Ca 0.00 -0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 54.13 1j2o s HIS 27 Cb 0.00 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.36 1j2o s HIS 27 CO 0.00 0.45 1.53 0.93 -0.85 0.00 0.00 174.74 176.80 1j2o h GLU 28 N 2.15 0.39 -0.02 1.40 5.08 -1.91 -2.14 114.58 119.54 1j2o h GLU 28 Ca -0.41 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1j2o h GLU 28 Cb 1.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1j2o h GLU 28 CO 0.68 0.56 -0.14 -3.47 -1.00 0.00 0.00 179.01 175.65 1j2o n ASP 29 N -4.68 1.91 -0.02 1.42 2.03 -1.26 -4.12 116.55 111.83 1j2o n ASP 29 Ca -0.04 -1.52 -0.22 0.00 0.52 0.00 0.00 54.79 53.54 1j2o n ASP 29 Cb 0.22 0.11 -0.13 0.00 -0.72 0.00 0.00 41.12 40.60 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 -3.75 3.71 0.00 0.00 0.00 -0.81 -4.89 117.00 111.26 1j2o n LEU 31 Ca -0.32 -3.13 -0.21 0.00 0.00 0.00 0.00 56.01 52.35 1j2o n LEU 31 Cb 0.95 -1.48 0.03 0.00 0.00 0.00 0.00 43.42 42.93 1j2o n LEU 31 CO 0.37 -1.02 0.20 -1.20 0.00 0.00 0.00 177.39 175.74 1j2o n SER 32 N 10.92 2.32 -4.91 1.96 7.64 -1.26 -4.86 113.62 125.43 1j2o n SER 32 Ca 0.47 -2.60 -0.28 0.00 1.01 0.00 0.00 58.87 57.47 1j2o n SER 32 Cb 0.44 -0.21 0.05 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 -2.88 1.97 0.00 0.00 2.03 -1.26 -4.69 116.55 111.72 1j2o n ASP 34 Ca 0.07 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1j2o n ASP 34 Cb 0.59 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -3.99 0.81 -0.33 -2.67 7.94 -1.26 -4.75 117.00 112.75 1j2o n LEU 35 Ca -0.39 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.50 1j2o n LEU 35 Cb 0.86 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.93 1j2o n LEU 35 CO 0.23 0.11 1.23 0.00 -1.11 0.00 0.00 177.39 177.84 1j2o n GLY 37 N -1.34 0.85 0.00 0.00 0.00 -1.26 -5.06 105.19 98.37 1j2o n GLY 37 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.60 0.00 0.00 0.63 -1.26 -4.24 116.66 112.39 1j2o n ARG 39 Ca 0.00 -0.76 0.00 0.00 -0.92 0.00 0.00 57.85 56.17 1j2o n ARG 39 Cb 0.00 0.12 0.00 0.00 0.45 0.00 0.00 32.46 33.03 1j2o n ARG 39 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1j2o n LEU 40 N -0.65 0.00 -2.84 6.15 -0.00 -1.26 -4.30 117.00 114.10 1j2o n LEU 40 Ca -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.90 1j2o n LEU 40 Cb 0.69 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.12 1j2o n LEU 40 CO -0.08 0.00 0.40 -0.83 -0.00 0.00 0.00 177.39 176.88 1j2o s GLY 41 N 0.00 -1.52 -0.56 1.47 0.00 -1.18 -5.00 107.32 100.53 1j2o s GLY 41 Ca 0.00 1.02 -0.05 0.00 0.00 0.00 0.00 44.72 45.70 1j2o s GLY 41 CO 0.00 4.19 2.18 1.18 0.00 0.00 0.00 173.10 180.64 1j2o n GLU 42 N 3.72 1.72 -3.91 2.90 1.02 -1.26 -3.64 120.64 121.18 1j2o n GLU 42 Ca 0.07 -1.11 -0.30 0.00 -0.02 0.00 0.00 57.16 55.80 1j2o n GLU 42 Cb 0.62 -2.19 -0.14 0.00 -0.02 0.00 0.00 31.44 29.71 1j2o n GLU 42 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j2o s VAL 43 N 2.80 2.24 -0.50 2.62 1.01 -1.24 -4.72 120.40 122.60 1j2o s VAL 43 Ca 0.39 -2.91 -0.45 0.00 0.00 0.00 0.00 61.98 59.01 1j2o s VAL 43 Cb 0.13 -2.58 -0.19 0.00 0.00 0.00 0.00 36.38 33.74 1j2o s VAL 43 CO -0.02 -0.77 2.00 0.61 0.00 0.00 0.00 175.10 176.92 1j2o n GLY 44 N 3.49 -0.06 0.00 4.51 0.00 -1.00 -4.57 105.19 107.56 1j2o n GLY 44 Ca 0.05 1.09 0.00 0.00 0.00 0.00 0.00 46.02 47.16 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 6.61 0.00 -1.19 1.61 0.63 -0.66 -4.94 116.66 118.71 1j2o n ARG 45 Ca 0.49 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1j2o n ARG 45 Cb -0.04 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.87 1j2o n ARG 45 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1j2o n ARG 46 N 0.00 1.24 -3.63 -0.14 5.12 -1.25 -4.96 116.66 113.04 1j2o n ARG 46 Ca 0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1j2o n ARG 46 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 1j2o n ARG 46 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1j2o s LEU 47 N 0.00 -0.04 -0.12 0.55 2.96 -0.84 -0.78 118.68 120.40 1j2o s LEU 47 Ca 0.00 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1j2o s LEU 47 Cb 0.00 2.00 0.03 0.00 0.50 0.00 0.00 46.19 48.72 1j2o s LEU 47 CO 0.00 -0.50 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.15 1j2o s TYR 48 N -1.06 1.53 0.13 5.38 2.02 -1.17 -4.67 117.35 119.52 1j2o s TYR 48 Ca -0.11 -0.81 -0.24 0.00 -0.37 0.00 0.00 57.07 55.54 1j2o s TYR 48 Cb -0.02 -1.25 0.07 0.00 -0.40 0.00 0.00 41.96 40.35 1j2o s TYR 48 CO 0.07 -0.54 0.60 1.52 -1.57 0.00 0.00 175.55 175.64 1j2o s TYR 49 N 1.69 -0.55 0.33 2.71 1.13 -1.26 -4.33 117.35 117.08 1j2o s TYR 49 Ca 0.04 0.43 0.07 0.00 -1.41 0.00 0.00 57.07 56.20 1j2o s TYR 49 Cb -0.13 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 1j2o s TYR 49 CO -0.08 -0.81 0.39 0.15 -2.51 0.00 0.00 175.55 172.69 1j2o s LYS 50 N -3.39 2.96 0.13 -3.49 -0.14 0.11 -4.95 119.74 110.97 1j2o s LYS 50 Ca -0.01 -1.13 -0.04 0.00 -1.36 0.00 0.00 55.97 53.44 1j2o s LYS 50 Cb -0.01 -2.67 0.22 0.00 -1.68 0.00 0.00 37.83 33.69 1j2o s LYS 50 CO -0.10 0.08 0.75 1.47 -0.76 0.00 0.00 175.35 176.79 1j2o n LEU 51 N -1.52 -0.17 -0.35 3.17 -0.00 -1.26 -1.51 117.00 115.37 1j2o n LEU 51 Ca -0.01 0.82 0.02 0.00 -0.00 0.00 0.00 56.01 56.85 1j2o n LEU 51 Cb 0.59 -0.25 0.03 0.00 -0.00 0.00 0.00 43.42 43.79 1j2o n LEU 51 CO 0.42 -0.79 0.32 0.61 -0.00 0.00 0.00 177.39 177.95 1j2o n GLY 52 N -1.30 1.14 3.00 1.47 0.00 -1.26 -5.05 105.19 103.18 1j2o n GLY 52 Ca 0.08 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.63 1.39 -1.37 1.61 0.52 -0.57 -5.02 118.95 114.89 1j2o s ARG 53 Ca 0.07 -0.34 -0.07 0.00 -0.52 0.00 0.00 55.73 54.87 1j2o s ARG 53 Cb 0.06 -1.20 0.03 0.00 0.52 0.00 0.00 34.95 34.35 1j2o s ARG 53 CO 0.01 0.03 2.66 0.36 0.02 0.00 0.00 175.30 178.38 1j2o n LYS 54 N 3.73 4.10 -4.14 3.54 2.85 -1.26 0.05 118.16 127.03 1j2o n LYS 54 Ca -0.22 -2.87 -0.34 0.00 -1.05 0.00 0.00 58.31 53.83 1j2o n LYS 54 Cb 0.52 -2.66 -0.07 0.00 -0.65 0.00 0.00 35.03 32.17 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 -1.20 3.85 0.88 -5.58 0.20 -1.26 -4.02 118.68 111.55 1j2o s LEU 55 Ca 0.61 0.16 -0.11 0.00 0.69 0.00 0.00 54.13 55.47 1j2o s LEU 55 Cb 0.20 -2.16 0.12 0.00 -0.43 0.00 0.00 46.19 43.91 1j2o s LEU 55 CO -0.08 0.30 1.09 0.00 -0.29 0.00 0.00 176.35 177.37 1j2o h ARG 57 N -1.48 0.43 -0.01 0.00 9.65 -1.90 0.23 114.38 121.31 1j2o h ARG 57 Ca -0.49 -0.17 -0.16 0.00 -1.10 0.00 0.00 59.98 58.06 1j2o h ARG 57 Cb 1.28 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 1j2o h ARG 57 CO 0.55 0.69 -0.73 0.00 2.80 0.00 0.00 179.97 183.28 1j2o h ARG 58 N 0.38 0.06 -0.18 0.20 2.47 -1.90 0.54 114.38 115.96 1j2o h ARG 58 Ca 0.05 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1j2o h ARG 58 Cb 0.71 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1j2o h ARG 58 CO 0.05 0.76 -0.09 -0.44 0.56 0.00 0.00 179.97 180.82 1j2o h ASP 59 N 0.04 0.38 0.26 7.04 3.32 -1.78 -0.38 116.42 125.31 1j2o h ASP 59 Ca -0.01 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.56 1j2o h ASP 59 Cb 1.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1j2o h ASP 59 CO 0.10 0.71 -0.30 0.22 -1.72 0.00 0.00 179.24 178.26 1j2o h TYR 60 N 0.05 0.07 0.00 4.55 5.03 -0.41 -1.12 116.97 125.13 1j2o h TYR 60 Ca 0.04 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1j2o h TYR 60 Cb 0.57 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1j2o h TYR 60 CO 0.06 0.35 0.00 1.25 -1.32 0.00 0.00 178.16 178.51 1j2o h LEU 61 N 0.05 0.00 0.00 2.82 5.85 0.46 0.11 115.31 124.60 1j2o h LEU 61 Ca 0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1j2o h LEU 61 Cb 0.55 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1j2o h LEU 61 CO 0.04 0.00 -0.29 -0.09 -0.34 0.00 0.00 178.44 177.76 1j2o h ARG 62 N 0.00 0.00 0.00 1.25 9.65 0.26 -0.25 114.38 125.29 1j2o h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1j2o h ARG 62 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1j2o h ARG 62 CO 0.00 0.09 -0.97 1.47 2.80 0.00 0.00 179.97 183.36 1j2o n LEU 63 N -3.04 1.79 -2.18 3.80 -0.00 -1.17 -3.87 117.00 112.32 1j2o n LEU 63 Ca 0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.89 1j2o n LEU 63 Cb 0.58 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.04 1j2o n LEU 63 CO 0.36 0.29 0.13 0.61 -0.00 0.00 0.00 177.39 178.78 1j2o n GLY 64 N 3.25 4.76 0.00 1.47 0.00 0.35 -4.98 105.19 110.05 1j2o n GLY 64 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.67 1.94 0.00 -0.02 0.00 -0.98 -4.73 105.19 100.74 1j2o n GLY 65 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1j2o n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j2o n SER 66 N 0.00 0.00 0.00 1.61 7.64 -1.03 -5.00 113.62 116.84 1j2o n SER 66 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1j2o n SER 66 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1j2o n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j2o n GLY 67 N 0.00 0.91 1.05 0.23 0.00 -0.13 -4.98 105.19 102.27 1j2o n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j2o n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 68 N 5.00 0.99 0.64 -0.02 0.00 -1.25 -4.91 105.19 105.64 1j2o n GLY 68 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.13 0.12 -0.13 1.61 8.25 -1.26 -5.09 115.22 116.59 1j2o n HIS 69 Ca 0.00 -0.47 -0.27 0.00 -0.26 0.00 0.00 57.72 56.72 1j2o n HIS 69 Cb 0.30 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.20 0.60 -2.08 -0.41 0.00 -1.26 -4.87 117.12 108.90 1j2o n MET 70 Ca -0.02 0.27 -0.42 0.00 0.00 0.00 0.00 57.70 57.52 1j2o n MET 70 Cb 0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 33.22 31.78 1j2o n MET 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1j2o s GLY 71 N -5.62 0.80 0.24 3.03 0.00 -1.26 -4.98 107.32 99.54 1j2o s GLY 71 Ca -0.37 0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.49 1j2o s GLY 71 CO 0.53 3.17 0.18 -0.56 0.00 0.00 0.00 173.10 176.41 1j2o s SER 72 N 5.79 5.47 0.00 1.64 0.01 -1.26 -1.83 113.70 123.51 1j2o s SER 72 Ca 0.74 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1j2o s SER 72 Cb -0.19 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1j2o s SER 72 CO 0.32 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1j2o n GLY 73 N -1.04 -1.03 3.88 3.44 0.00 0.32 -0.32 105.19 110.44 1j2o n GLY 73 Ca -0.08 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 1j2o n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j2o s GLY 74 N 0.00 2.29 -0.79 -0.02 0.00 -1.25 -0.73 107.32 106.81 1j2o s GLY 74 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 44.72 44.06 1j2o s GLY 74 CO 0.00 -0.26 1.73 -0.35 0.00 0.00 0.00 173.10 174.23 1j2o s ASP 75 N -2.20 5.56 0.14 1.64 2.15 -0.81 -0.74 116.67 122.41 1j2o s ASP 75 Ca 0.41 -0.41 -0.00 0.00 0.43 0.00 0.00 52.55 52.98 1j2o s ASP 75 Cb -0.12 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1j2o s ASP 75 CO 0.22 -2.28 0.03 0.54 -0.17 0.00 0.00 175.17 173.50 1j2o s VAL 76 N 8.25 0.30 0.14 1.11 0.11 -1.26 -5.01 120.40 124.04 1j2o s VAL 76 Ca 0.60 -1.92 -0.35 0.00 -2.93 0.00 0.00 61.98 57.38 1j2o s VAL 76 Cb -0.08 -2.01 -0.15 0.00 -1.53 0.00 0.00 36.38 32.61 1j2o s VAL 76 CO 0.08 -0.52 1.50 0.23 -3.33 0.00 0.00 175.10 173.05 1j2o n MET 77 N -0.12 1.82 -2.36 1.54 2.81 -1.26 -4.71 117.12 114.83 1j2o n MET 77 Ca -0.07 0.66 -0.40 0.00 -1.81 0.00 0.00 57.70 56.08 1j2o n MET 77 Cb 0.63 -2.38 -0.03 0.00 -0.71 0.00 0.00 33.22 30.73 1j2o n MET 77 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1j2o s VAL 78 N 0.77 3.59 -1.09 2.03 1.01 -1.26 -4.74 120.40 120.71 1j2o s VAL 78 Ca 0.81 0.29 0.10 0.00 0.00 0.00 0.00 61.98 63.18 1j2o s VAL 78 Cb -0.77 -4.56 0.04 0.00 0.00 0.00 0.00 36.38 31.09 1j2o s VAL 78 CO 0.41 -1.51 0.73 1.33 0.00 0.00 0.00 175.10 176.05 1j2o n VAL 79 N 6.71 0.00 -0.64 2.92 0.24 -1.26 -4.98 118.33 121.32 1j2o n VAL 79 Ca 0.10 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1j2o n VAL 79 Cb 0.50 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1j2o n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j2o n GLY 80 N 0.70 0.78 3.62 7.63 0.00 -1.26 -5.11 105.19 111.55 1j2o n GLY 80 Ca 0.05 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1j2o n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j2o s GLU 81 N -0.99 2.23 0.92 1.61 0.41 -1.26 -5.13 118.70 116.49 1j2o s GLU 81 Ca 0.00 -1.28 -0.12 0.00 -0.41 0.00 0.00 54.97 53.16 1j2o s GLU 81 Cb 0.00 -2.21 0.14 0.00 -1.78 0.00 0.00 34.13 30.28 1j2o s GLU 81 CO 0.00 0.41 1.09 -2.14 -0.49 0.00 0.00 175.26 174.14 1j2o s PRO 82 N -3.16 1.10 2.16 0.39 0.02 -1.26 -4.62 135.00 129.63 1j2o s PRO 82 Ca 0.28 0.74 0.00 0.00 0.02 0.00 0.00 61.00 62.04 1j2o s PRO 82 Cb -0.08 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1j2o s PRO 82 CO 0.18 -2.33 0.00 2.41 -0.33 0.00 0.00 177.00 176.93 1j2o n THR 83 N -3.93 0.00 -1.53 0.99 -1.04 -1.26 -4.69 114.28 102.82 1j2o n THR 83 Ca 0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.78 1j2o n THR 83 Cb 0.56 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.96 1j2o n THR 83 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1j2o n LEU 84 N 0.00 0.98 0.00 -4.42 7.99 -1.26 -3.17 117.00 117.11 1j2o n LEU 84 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 56.01 55.44 1j2o n LEU 84 Cb 0.00 -1.24 0.00 0.00 -0.11 0.00 0.00 43.42 42.07 1j2o n LEU 84 CO 0.00 -1.57 0.00 0.80 -1.51 0.00 0.00 177.39 175.11 1j2o n MET 85 N 8.20 0.00 0.00 3.23 1.56 0.08 -4.54 117.12 125.65 1j2o n MET 85 Ca 0.53 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.96 1j2o n MET 85 Cb 0.31 -0.13 0.00 0.00 2.15 0.00 0.00 33.22 35.55 1j2o n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1j2o n GLY 86 N 1.43 1.36 0.00 -5.12 0.00 0.56 -4.30 105.19 99.12 1j2o n GLY 86 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 4.00 0.00 3.48 -0.02 0.00 0.09 -1.92 105.19 110.82 1j2o n GLY 87 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.97 3.45 0.00 1.61 2.02 -1.19 -4.49 118.70 119.12 1j2o s GLU 88 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.70 1j2o s GLU 88 Cb 0.00 -4.80 0.00 0.00 0.10 0.00 0.00 34.13 29.43 1j2o s GLU 88 CO 0.00 -1.90 0.00 1.19 0.02 0.00 0.00 175.26 174.57 1j2o n PHE 89 N 7.53 -0.34 0.00 1.61 3.72 -1.25 0.12 117.46 128.84 1j2o n PHE 89 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1j2o n PHE 89 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.00 1.21 0.00 1.37 0.00 -1.26 -4.29 105.19 102.21 1j2o n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.26 -4.69 116.55 117.96 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 0.00 0.00 -0.00 0.11 -0.58 -1.26 -3.76 120.64 115.15 1j2o n GLU 92 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1j2o n GLU 92 Cb 0.00 -0.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.83 1j2o n GLU 92 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1j2o n ASP 93 N 2.10 1.36 -2.75 1.62 2.03 -1.26 -4.69 116.55 114.96 1j2o n ASP 93 Ca 0.00 -1.36 0.00 0.00 0.52 0.00 0.00 54.79 53.95 1j2o n ASP 93 Cb 0.00 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1j2o n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j2o n GLU 94 N -0.17 0.58 -1.35 -0.67 -0.58 -1.25 -3.73 120.64 113.48 1j2o n GLU 94 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1j2o n GLU 94 Cb 0.09 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.89 1j2o n GLU 94 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1j2o n ARG 95 N -0.38 1.18 -3.02 3.49 0.63 -1.26 -1.99 116.66 115.31 1j2o n ARG 95 Ca 0.00 -1.88 -0.44 0.00 -0.92 0.00 0.00 57.85 54.61 1j2o n ARG 95 Cb 0.00 -3.18 0.00 0.00 0.45 0.00 0.00 32.46 29.74 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 10.80 5.82 -4.76 6.15 4.77 0.04 -3.10 117.00 136.71 1j2o n LEU 96 Ca 0.47 -4.87 -0.34 0.00 -0.03 0.00 0.00 56.01 51.24 1j2o n LEU 96 Cb 0.43 -1.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.10 1j2o n LEU 96 CO 0.92 1.27 0.78 0.27 -1.33 0.00 0.00 177.39 179.30 1j2o s ILE 97 N -0.65 2.91 -0.46 -0.08 -5.25 -1.24 -1.66 121.20 114.78 1j2o s ILE 97 Ca 0.35 0.48 -0.20 0.00 -0.99 0.00 0.00 60.65 60.29 1j2o s ILE 97 Cb -0.02 -3.06 0.03 0.00 2.95 0.00 0.00 42.46 42.37 1j2o s ILE 97 CO -0.01 -0.21 0.64 0.42 -1.79 0.00 0.00 174.94 174.00 1j2o s THR 98 N -2.03 4.83 -0.69 8.37 -4.23 -1.25 -2.37 115.64 118.27 1j2o s THR 98 Ca 0.71 -0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.92 1j2o s THR 98 Cb -0.25 -4.24 -0.02 0.00 1.34 0.00 0.00 72.50 69.34 1j2o s THR 98 CO 0.38 -0.66 1.84 -0.13 -0.54 0.00 0.00 174.62 175.51 1j2o s ARG 99 N 2.80 2.66 0.59 3.99 0.52 -1.26 -3.90 118.95 124.35 1j2o s ARG 99 Ca 0.21 0.34 0.08 0.00 -0.52 0.00 0.00 55.73 55.84 1j2o s ARG 99 Cb -0.15 -4.53 0.08 0.00 0.52 0.00 0.00 34.95 30.87 1j2o s ARG 99 CO 0.17 -2.83 0.69 -1.17 0.02 0.00 0.00 175.30 172.19 1j2o s LEU 100 N 9.02 2.87 0.17 2.53 2.96 0.32 -4.96 118.68 131.59 1j2o s LEU 100 Ca 0.65 -1.05 0.10 0.00 -0.22 0.00 0.00 54.13 53.61 1j2o s LEU 100 Cb -0.11 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1j2o s LEU 100 CO 0.15 -1.35 -0.18 -1.83 -1.32 0.00 0.00 176.35 171.82 1j2o s GLU 101 N -4.58 1.76 0.58 1.98 -1.05 -1.26 -0.81 118.70 115.31 1j2o s GLU 101 Ca 0.53 -1.35 -0.15 0.00 -0.15 0.00 0.00 54.97 53.84 1j2o s GLU 101 Cb -0.04 -2.02 -0.05 0.00 -0.44 0.00 0.00 34.13 31.59 1j2o s GLU 101 CO 0.33 0.43 1.03 1.21 0.95 0.00 0.00 175.26 179.22 1j2o s ASN 102 N -2.58 6.06 0.18 0.83 3.84 0.38 -4.79 114.94 118.86 1j2o s ASN 102 Ca 0.21 1.69 -0.11 0.00 0.21 0.00 0.00 52.86 54.86 1j2o s ASN 102 Cb -0.09 -2.52 0.08 0.00 -0.55 0.00 0.00 41.25 38.18 1j2o s ASN 102 CO 0.12 -0.98 1.73 0.74 -2.79 0.00 0.00 177.10 175.92 1j2o h THR 103 N 0.45 1.23 -1.76 -5.21 2.02 -1.91 -2.48 112.91 105.26 1j2o h THR 103 Ca -0.46 -0.74 -0.78 0.00 0.77 0.00 0.00 66.41 65.20 1j2o h THR 103 Cb 1.21 0.57 -0.20 0.00 -1.74 0.00 0.00 68.15 67.98 1j2o h THR 103 CO 0.59 0.29 1.69 0.00 0.37 0.00 0.00 175.52 178.46 1j2o n GLN 104 N -4.44 4.91 0.21 6.66 6.02 -1.26 -4.63 117.38 124.85 1j2o n GLN 104 Ca 0.04 -4.06 0.08 0.00 -0.01 0.00 0.00 57.00 53.05 1j2o n GLN 104 Cb 0.17 -2.57 0.40 0.00 1.02 0.00 0.00 30.24 29.26 1j2o n GLN 104 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1j2o h PHE 105 N 4.55 0.00 0.00 1.08 3.57 -1.69 -3.40 116.94 121.05 1j2o h PHE 105 Ca 0.58 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.08 1j2o h PHE 105 Cb 0.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1j2o h PHE 105 CO 1.43 0.28 0.00 -3.47 -2.23 0.00 0.00 178.31 174.32 1j2o n ASP 106 N -3.42 0.00 -2.14 0.41 2.03 -1.26 -4.61 116.55 107.55 1j2o n ASP 106 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 1j2o n ASP 106 Cb 0.47 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.48 -1.51 0.29 -1.67 0.00 -1.26 -4.93 120.51 110.94 1j2o n ALA 107 Ca 0.00 0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.65 1j2o n ALA 107 Cb 0.00 -1.75 0.83 0.00 0.00 0.00 0.00 19.45 18.53 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o h ALA 108 N 0.05 1.03 -1.07 0.00 0.00 -1.85 -3.18 119.26 114.25 1j2o h ALA 108 Ca -0.14 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.24 1j2o h ALA 108 Cb 1.07 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.44 1j2o h ALA 108 CO 0.15 0.03 -0.87 -1.71 0.00 0.00 0.00 179.25 176.85 1j2o n ASN 109 N -3.17 3.92 0.00 0.00 5.15 0.71 -5.02 115.26 116.85 1j2o n ASN 109 Ca -0.01 -3.38 0.00 0.00 -0.60 0.00 0.00 54.58 50.59 1j2o n ASN 109 Cb 0.24 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 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 -0.50 1.80 2.29 8.20 0.00 -1.20 -2.81 105.19 112.96 1j2o n GLY 110 Ca 0.32 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 3.28 -3.63 -0.61 5.41 -1.26 -4.72 119.36 117.83 1j2o n ILE 111 Ca 0.00 -2.68 -0.12 0.00 1.00 0.00 0.00 62.75 60.94 1j2o n ILE 111 Cb 0.00 -1.31 -0.07 0.00 -0.71 0.00 0.00 39.64 37.55 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 -0.63 -0.77 0.44 4.38 2.15 -1.12 -4.96 116.67 116.15 1j2o s ASP 112 Ca 0.50 1.43 0.05 0.00 0.43 0.00 0.00 52.55 54.96 1j2o s ASP 112 Cb 0.38 1.42 -0.06 0.00 -0.30 0.00 0.00 42.92 44.37 1j2o s ASP 112 CO -0.10 -0.24 0.02 -0.62 -0.17 0.00 0.00 175.17 174.05 1j2o s ASP 113 N 0.63 3.99 0.00 -0.34 2.15 -1.26 -0.21 116.67 121.64 1j2o s ASP 113 Ca -0.02 -1.45 0.16 0.00 0.43 0.00 0.00 52.55 51.67 1j2o s ASP 113 Cb -0.05 -0.09 0.13 0.00 -0.30 0.00 0.00 42.92 42.60 1j2o s ASP 113 CO -0.04 -0.59 1.01 1.21 -0.17 0.00 0.00 175.17 176.59