#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 3.59 0.49 1.61 0.01 -0.04 -4.86 113.70 114.50 1j2o s SER 2 Ca 0.00 -0.04 0.24 0.00 1.31 0.00 0.00 55.95 57.46 1j2o s SER 2 Cb 0.00 -0.13 1.26 0.00 0.21 0.00 0.00 66.02 67.37 1j2o s SER 2 CO 0.00 -2.40 2.01 -0.07 0.41 0.00 0.00 173.24 173.19 1j2o h LEU 3 N -1.19 0.00-10.11 2.44 4.07 -2.00 -3.38 115.31 105.13 1j2o h LEU 3 Ca -0.41 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.04 1j2o h LEU 3 Cb 1.24 0.00 0.10 0.00 1.08 0.00 0.00 40.66 43.09 1j2o h LEU 3 CO 0.38 0.17 0.44 -0.76 -1.08 0.00 0.00 178.44 177.58 1j2o s LEU 4 N -7.50 3.63 -0.04 1.67 1.43 -1.26 -4.92 118.68 111.69 1j2o s LEU 4 Ca -0.03 2.26 0.03 0.00 -1.03 0.00 0.00 54.13 55.36 1j2o s LEU 4 Cb 0.13 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.77 1j2o s LEU 4 CO 0.62 -1.52 -0.11 0.42 0.23 0.00 0.00 176.35 175.99 1j2o s THR 5 N -1.79 0.95 0.12 5.49 -4.23 -1.26 -0.79 115.64 114.13 1j2o s THR 5 Ca 0.74 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1j2o s THR 5 Cb -0.27 -0.85 -0.06 0.00 1.34 0.00 0.00 72.50 72.67 1j2o s THR 5 CO 0.33 0.30 0.38 0.00 -0.54 0.00 0.00 174.62 175.08 1j2o n GLY 7 N 0.32 -0.48 0.10 0.00 0.00 -0.80 -0.91 105.19 103.42 1j2o n GLY 7 Ca -0.04 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1j2o n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j2o h GLY 8 N 4.91 0.00 0.00 -0.02 0.00 -1.86 -3.42 103.07 102.68 1j2o h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j2o h GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1j2o n GLN 10 N -1.34 -0.80 -0.48 0.00 1.13 -0.09 -4.90 117.38 110.90 1j2o n GLN 10 Ca 0.00 0.67 0.08 0.00 -1.94 0.00 0.00 57.00 55.80 1j2o n GLN 10 Cb 0.00 -4.70 0.29 0.00 0.11 0.00 0.00 30.24 25.94 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 -2.30 3.14 -0.52 -1.09 10.64 -1.26 -4.89 117.38 121.09 1j2o n GLN 11 Ca -0.12 -2.28 0.00 0.00 -1.83 0.00 0.00 57.00 52.77 1j2o n GLN 11 Cb 0.49 -1.75 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 1j2o n GLN 11 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1j2o n ASN 12 N 0.89 -3.68 -4.53 2.61 4.13 -1.26 -4.87 115.26 108.55 1j2o n ASN 12 Ca 0.21 0.40 -0.43 0.00 1.68 0.00 0.00 54.58 56.43 1j2o n ASN 12 Cb 0.72 -0.83 -0.05 0.00 -1.54 0.00 0.00 39.78 38.08 1j2o n ASN 12 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1j2o s ILE 13 N -2.08 4.53 -0.26 2.41 1.01 0.03 -4.83 121.20 122.02 1j2o s ILE 13 Ca 0.00 0.34 0.08 0.00 0.00 0.00 0.00 60.65 61.07 1j2o s ILE 13 Cb 0.00 -4.43 0.17 0.00 0.01 0.00 0.00 42.46 38.22 1j2o s ILE 13 CO 0.00 -0.91 1.13 0.61 0.00 0.00 0.00 174.94 175.77 1j2o n GLY 14 N 5.05 3.39 0.91 6.18 0.00 -1.26 -0.86 105.19 118.59 1j2o n GLY 14 Ca 0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.44 -0.79 -0.00 1.61 9.92 -1.26 -4.79 116.55 120.80 1j2o n ASP 15 Ca 0.08 -0.83 0.05 0.00 -0.53 0.00 0.00 54.79 53.55 1j2o n ASP 15 Cb 0.42 -0.25 -0.12 0.00 -0.64 0.00 0.00 41.12 40.53 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 -2.10 0.65 -4.03 -1.24 -4.01 -1.26 -4.56 116.66 100.12 1j2o n ARG 16 Ca 0.04 -0.03 -0.09 0.00 -1.04 0.00 0.00 57.85 56.72 1j2o n ARG 16 Cb 0.15 -1.62 -0.11 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 -3.18 0.41 0.34 2.89 5.04 -1.26 -0.75 117.35 120.84 1j2o s TYR 17 Ca -0.06 -0.65 -0.14 0.00 -2.44 0.00 0.00 57.07 53.77 1j2o s TYR 17 Cb 0.11 -0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.17 1j2o s TYR 17 CO 0.86 -0.21 0.68 -0.59 -1.34 0.00 0.00 175.55 174.95 1j2o s PHE 18 N -2.05 0.26 0.13 4.97 -0.71 -0.12 -4.43 117.98 116.02 1j2o s PHE 18 Ca -0.09 -0.78 0.10 0.00 -1.04 0.00 0.00 56.93 55.12 1j2o s PHE 18 Cb -0.06 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 1j2o s PHE 18 CO -0.03 -1.37 -0.24 -0.51 -1.34 0.00 0.00 175.22 171.73 1j2o s LEU 19 N -3.07 2.33 -0.19 -1.99 1.43 -1.24 -1.17 118.68 114.78 1j2o s LEU 19 Ca 0.18 -0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 52.27 1j2o s LEU 19 Cb -0.04 -1.09 0.08 0.00 0.03 0.00 0.00 46.19 45.17 1j2o s LEU 19 CO 0.12 0.13 0.78 -0.75 0.23 0.00 0.00 176.35 176.85 1j2o s LYS 20 N -2.09 0.84 0.04 1.70 2.36 -1.22 0.87 119.74 122.24 1j2o s LYS 20 Ca 0.12 0.64 0.00 0.00 -2.55 0.00 0.00 55.97 54.18 1j2o s LYS 20 Cb -0.10 0.40 0.00 0.00 -1.05 0.00 0.00 37.83 37.09 1j2o s LYS 20 CO 0.06 -0.17 0.00 0.00 1.55 0.00 0.00 175.35 176.78 1j2o n ALA 21 N 1.90 0.00 -0.31 3.13 0.00 -1.17 -3.39 120.51 120.68 1j2o n ALA 21 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1j2o n ALA 21 Cb 0.56 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.12 1j2o n ALA 21 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1j2o n ILE 22 N -2.34 -0.37 0.00 0.00 5.41 -1.26 -4.54 119.36 116.26 1j2o n ILE 22 Ca 0.00 1.93 0.00 0.00 1.00 0.00 0.00 62.75 65.68 1j2o n ILE 22 Cb 0.00 -2.66 0.00 0.00 -0.71 0.00 0.00 39.64 36.27 1j2o n ILE 22 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1j2o n ASP 23 N -5.35 0.00 -1.11 4.38 2.03 -1.26 -5.10 116.55 110.14 1j2o n ASP 23 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1j2o n ASP 23 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 1.45 -4.27 -0.67 0.00 -1.26 -5.17 117.38 107.47 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 -0.98 2.76 0.00 2.61 2.02 -1.23 -3.04 117.35 119.49 1j2o s TYR 25 Ca 0.00 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1j2o s TYR 25 Cb 0.00 -1.23 0.00 0.00 -0.40 0.00 0.00 41.96 40.33 1j2o s TYR 25 CO 0.00 0.60 0.00 0.91 -1.57 0.00 0.00 175.55 175.49 1j2o n TRP 26 N -0.90 0.00 -4.28 2.71 7.02 0.25 -1.91 117.44 120.34 1j2o n TRP 26 Ca -0.07 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.29 1j2o n TRP 26 Cb 0.59 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.45 1j2o n TRP 26 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1j2o n HIS 27 N 0.00 0.39 -0.02 -5.99 8.25 -1.26 -3.62 115.22 112.97 1j2o n HIS 27 Ca 0.00 -0.97 -0.17 0.00 -0.26 0.00 0.00 57.72 56.32 1j2o n HIS 27 Cb 0.00 -0.11 -0.14 0.00 1.12 0.00 0.00 29.99 30.86 1j2o n HIS 27 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1j2o h GLU 28 N 0.00 0.13 -0.09 -0.41 5.08 -1.91 -3.30 114.58 114.08 1j2o h GLU 28 Ca -0.16 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1j2o h GLU 28 Cb 0.49 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1j2o h GLU 28 CO 0.26 1.11 0.00 -3.47 -1.00 0.00 0.00 179.01 175.91 1j2o n ASP 29 N -4.39 2.28 0.04 1.42 2.03 -1.26 -4.60 116.55 112.07 1j2o n ASP 29 Ca -0.12 -1.63 -0.20 0.00 0.52 0.00 0.00 54.79 53.36 1j2o n ASP 29 Cb 0.63 -0.05 -0.14 0.00 -0.72 0.00 0.00 41.12 40.84 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 -4.13 2.74 -4.37 0.00 4.77 -1.26 -4.78 117.00 109.97 1j2o n LEU 31 Ca -0.15 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 55.96 1j2o n LEU 31 Cb 0.81 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 1j2o n LEU 31 CO 0.47 -0.69 -0.37 -0.44 -1.33 0.00 0.00 177.39 175.03 1j2o s SER 32 N 7.76 2.35 0.88 -1.43 0.01 -1.26 -3.96 113.70 118.05 1j2o s SER 32 Ca 1.05 -1.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 1j2o s SER 32 Cb -0.59 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 65.67 1j2o s SER 32 CO 0.42 -0.37 1.09 0.00 0.41 0.00 0.00 173.24 174.79 1j2o n ASP 34 N -3.88 0.79 -0.10 0.00 -0.08 -0.96 -3.87 116.55 108.44 1j2o n ASP 34 Ca 0.08 0.36 -0.16 0.00 -1.51 0.00 0.00 54.79 53.56 1j2o n ASP 34 Cb 0.54 0.18 -0.05 0.00 2.34 0.00 0.00 41.12 44.13 1j2o n ASP 34 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1j2o n LEU 35 N -2.92 1.94 -0.04 -2.67 7.94 -1.26 -4.62 117.00 115.37 1j2o n LEU 35 Ca -0.13 0.35 -0.08 0.00 -1.11 0.00 0.00 56.01 55.03 1j2o n LEU 35 Cb 0.92 -0.78 -0.03 0.00 0.53 0.00 0.00 43.42 44.07 1j2o n LEU 35 CO 0.44 -0.01 0.84 0.00 -1.11 0.00 0.00 177.39 177.55 1j2o n GLY 37 N -1.19 2.68 0.00 0.00 0.00 -1.25 -4.86 105.19 100.57 1j2o n GLY 37 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.43 0.00 -3.34 0.00 3.00 -1.26 -4.75 116.66 108.88 1j2o n ARG 39 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1j2o n ARG 39 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 1j2o n ARG 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1j2o s LEU 40 N 0.00 4.73 -0.13 6.15 1.43 -1.25 -2.51 118.68 127.10 1j2o s LEU 40 Ca 0.00 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 1j2o s LEU 40 Cb 0.00 -2.39 -0.25 0.00 0.03 0.00 0.00 46.19 43.58 1j2o s LEU 40 CO 0.00 -0.52 0.40 1.23 0.23 0.00 0.00 176.35 177.69 1j2o h GLY 41 N 8.98 0.24 -1.98 -3.19 0.00 -1.97 -3.38 103.07 101.78 1j2o h GLY 41 Ca -0.27 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1j2o h GLY 41 CO 0.77 0.53 0.00 1.18 0.00 0.00 0.00 176.54 179.02 1j2o n GLU 42 N -3.82 2.99 -3.92 4.80 -0.58 -1.26 -4.78 120.64 114.07 1j2o n GLU 42 Ca -0.30 -2.43 -0.32 0.00 -0.42 0.00 0.00 57.16 53.69 1j2o n GLU 42 Cb 0.93 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 30.16 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 -1.32 2.72 -0.83 2.62 1.01 -1.26 -4.59 120.40 118.75 1j2o s VAL 43 Ca 0.37 -2.63 0.08 0.00 0.00 0.00 0.00 61.98 59.80 1j2o s VAL 43 Cb 0.21 -2.91 0.19 0.00 0.00 0.00 0.00 36.38 33.87 1j2o s VAL 43 CO 0.21 -0.70 1.07 0.61 0.00 0.00 0.00 175.10 176.29 1j2o n GLY 44 N 3.92 1.80 0.00 4.51 0.00 -1.26 -4.76 105.19 109.39 1j2o n GLY 44 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1j2o n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1j2o n ARG 45 N 0.35 0.00 -3.89 1.61 1.85 -1.26 -5.11 116.66 110.21 1j2o n ARG 45 Ca 0.08 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.57 1j2o n ARG 45 Cb 0.34 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.62 1j2o n ARG 45 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1j2o s ARG 46 N -0.31 3.67 -0.36 2.89 0.52 -1.26 -4.06 118.95 120.03 1j2o s ARG 46 Ca 0.00 -0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 54.56 1j2o s ARG 46 Cb 0.00 -3.23 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 1j2o s ARG 46 CO 0.00 -0.08 0.43 -1.17 0.02 0.00 0.00 175.30 174.50 1j2o s LEU 47 N 1.30 4.50 -0.69 2.53 0.20 -1.26 -4.61 118.68 120.65 1j2o s LEU 47 Ca 0.04 -0.27 -0.08 0.00 0.69 0.00 0.00 54.13 54.52 1j2o s LEU 47 Cb -0.15 -2.44 0.18 0.00 -0.43 0.00 0.00 46.19 43.35 1j2o s LEU 47 CO 0.03 -0.45 0.56 -0.31 -0.29 0.00 0.00 176.35 175.88 1j2o s TYR 48 N 2.19 3.54 0.24 5.38 2.02 -1.26 -3.58 117.35 125.88 1j2o s TYR 48 Ca 0.14 -2.34 0.09 0.00 -0.37 0.00 0.00 57.07 54.59 1j2o s TYR 48 Cb -0.16 -3.47 -0.04 0.00 -0.40 0.00 0.00 41.96 37.89 1j2o s TYR 48 CO 0.13 -0.91 0.01 1.52 -1.57 0.00 0.00 175.55 174.72 1j2o s TYR 49 N 0.18 2.76 0.35 2.71 1.13 -1.26 -4.30 117.35 118.92 1j2o s TYR 49 Ca 0.16 -0.19 -0.18 0.00 -1.41 0.00 0.00 57.07 55.45 1j2o s TYR 49 Cb -0.17 -1.25 -0.10 0.00 -1.10 0.00 0.00 41.96 39.34 1j2o s TYR 49 CO -0.05 0.58 0.81 0.15 -2.51 0.00 0.00 175.55 174.53 1j2o s LYS 50 N -3.50 4.11 0.16 -3.49 -0.14 0.16 -4.91 119.74 112.13 1j2o s LYS 50 Ca 0.30 0.85 -0.07 0.00 -1.36 0.00 0.00 55.97 55.69 1j2o s LYS 50 Cb -0.07 -2.41 0.24 0.00 -1.68 0.00 0.00 37.83 33.91 1j2o s LYS 50 CO 0.20 0.12 0.98 1.47 -0.76 0.00 0.00 175.35 177.36 1j2o n LEU 51 N -0.33 -0.29 -0.07 3.17 -0.00 -1.26 -0.30 117.00 117.92 1j2o n LEU 51 Ca 0.04 1.09 0.10 0.00 -0.00 0.00 0.00 56.01 57.23 1j2o n LEU 51 Cb 0.53 -0.30 0.13 0.00 -0.00 0.00 0.00 43.42 43.79 1j2o n LEU 51 CO 0.40 -1.02 0.56 0.61 -0.00 0.00 0.00 177.39 177.95 1j2o n GLY 52 N -1.36 4.79 2.70 1.47 0.00 -1.26 -4.94 105.19 106.59 1j2o n GLY 52 Ca 0.09 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.79 0.52 -0.50 1.61 0.52 0.59 -5.10 118.95 113.80 1j2o s ARG 53 Ca 0.31 -0.38 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 1j2o s ARG 53 Cb 0.27 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.74 1j2o s ARG 53 CO 0.03 -0.67 1.00 -1.59 0.02 0.00 0.00 175.30 174.09 1j2o s LYS 54 N 1.91 3.51 0.30 3.54 -2.85 -1.26 0.37 119.74 125.27 1j2o s LYS 54 Ca 0.00 0.13 -0.04 0.00 -1.00 0.00 0.00 55.97 55.06 1j2o s LYS 54 Cb -0.17 -3.97 -0.00 0.00 -2.06 0.00 0.00 37.83 31.63 1j2o s LYS 54 CO -0.10 -1.38 0.43 -0.48 0.10 0.00 0.00 175.35 173.92 1j2o s LEU 55 N 4.10 0.88 0.85 2.77 2.34 -1.26 -2.27 118.68 126.08 1j2o s LEU 55 Ca 0.38 -1.35 -0.12 0.00 0.06 0.00 0.00 54.13 53.09 1j2o s LEU 55 Cb -0.10 1.39 0.10 0.00 -0.56 0.00 0.00 46.19 47.03 1j2o s LEU 55 CO 0.25 -1.20 1.18 0.00 -1.06 0.00 0.00 176.35 175.52 1j2o h ARG 57 N -1.21 0.73 -0.35 0.00 9.65 -1.81 0.19 114.38 121.58 1j2o h ARG 57 Ca -0.47 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 1j2o h ARG 57 Cb 1.32 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1j2o h ARG 57 CO 0.63 0.48 0.07 0.00 2.80 0.00 0.00 179.97 183.95 1j2o h ARG 58 N 0.75 0.56 -0.06 0.20 2.47 -1.94 0.33 114.38 116.70 1j2o h ARG 58 Ca 0.27 -0.14 -0.10 0.00 -1.26 0.00 0.00 59.98 58.75 1j2o h ARG 58 Cb 0.08 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1j2o h ARG 58 CO -0.13 0.63 -0.42 -0.44 0.56 0.00 0.00 179.97 180.16 1j2o h ASP 59 N 0.41 0.13 -0.55 7.04 3.32 -1.86 -1.63 116.42 123.28 1j2o h ASP 59 Ca 0.11 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1j2o h ASP 59 Cb 0.33 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1j2o h ASP 59 CO 0.00 0.55 -0.06 0.22 -1.72 0.00 0.00 179.24 178.23 1j2o h TYR 60 N 0.11 1.12 0.00 4.55 3.20 -0.28 -1.64 116.97 124.03 1j2o h TYR 60 Ca 0.01 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1j2o h TYR 60 Cb 0.80 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1j2o h TYR 60 CO 0.01 1.02 0.00 -0.11 -1.64 0.00 0.00 178.16 177.44 1j2o n LEU 61 N -4.16 0.00 0.10 2.82 7.94 0.08 -0.67 117.00 123.10 1j2o n LEU 61 Ca 0.02 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.00 1j2o n LEU 61 Cb 0.37 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.32 1j2o n LEU 61 CO 0.45 0.00 0.04 -0.09 -1.11 0.00 0.00 177.39 176.67 1j2o h ARG 62 N 0.00 0.00 0.00 1.96 9.65 -0.36 -3.15 114.38 122.49 1j2o h ARG 62 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1j2o h ARG 62 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1j2o h ARG 62 CO 0.00 0.10 -1.03 1.47 2.80 0.00 0.00 179.97 183.31 1j2o n LEU 63 N -2.80 0.32 -2.28 3.80 -0.00 -1.11 -4.71 117.00 110.22 1j2o n LEU 63 Ca -0.02 0.05 -0.32 0.00 -0.00 0.00 0.00 56.01 55.72 1j2o n LEU 63 Cb 0.63 -0.12 0.10 0.00 -0.00 0.00 0.00 43.42 44.03 1j2o n LEU 63 CO 0.40 -0.03 1.41 0.61 -0.00 0.00 0.00 177.39 179.78 1j2o n GLY 64 N 2.88 5.48 2.78 1.47 0.00 0.15 -4.38 105.19 113.57 1j2o n GLY 64 Ca -0.05 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 43.95 1j2o n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 65 N -0.89 1.70 1.88 -0.02 0.00 -1.19 -4.65 105.19 102.02 1j2o n GLY 65 Ca 0.60 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.46 1.98 -0.05 1.61 7.64 -1.26 -3.00 113.62 120.08 1j2o n SER 66 Ca 0.07 -1.57 -0.06 0.00 1.01 0.00 0.00 58.87 58.32 1j2o n SER 66 Cb 0.81 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 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 1.94 -0.31 2.50 0.23 0.00 -1.26 -5.01 105.19 103.28 1j2o n GLY 67 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.69 0.67 0.00 -0.02 0.00 -1.16 -4.99 105.19 102.37 1j2o n GLY 68 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.53 0.00 -0.12 1.61 8.25 -1.26 -5.04 115.22 116.13 1j2o n HIS 69 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1j2o n HIS 69 Cb 0.02 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 1j2o n HIS 69 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1j2o h MET 70 N 0.00 0.55 0.00 -0.41 0.00 -2.01 -3.47 114.93 109.59 1j2o h MET 70 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 59.70 59.61 1j2o h MET 70 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 31.60 31.51 1j2o h MET 70 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 176.91 177.82 1j2o n GLY 71 N -0.83 1.34 3.58 8.32 0.00 -1.26 -5.04 105.19 111.30 1j2o n GLY 71 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1j2o n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j2o s SER 72 N -1.85 5.39 1.08 1.61 0.01 -1.26 -3.65 113.70 115.03 1j2o s SER 72 Ca 0.00 -1.84 -0.15 0.00 1.31 0.00 0.00 55.95 55.28 1j2o s SER 72 Cb 0.00 -2.59 0.23 0.00 0.21 0.00 0.00 66.02 63.87 1j2o s SER 72 CO 0.00 -2.71 1.09 -0.83 0.41 0.00 0.00 173.24 171.21 1j2o s GLY 73 N 6.02 1.56 0.00 3.44 0.00 -1.26 -4.77 107.32 112.31 1j2o s GLY 73 Ca 0.65 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1j2o s GLY 73 CO 0.12 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.99 1j2o n GLY 74 N -0.96 1.01 3.81 0.20 0.00 -1.26 -3.84 105.19 104.14 1j2o n GLY 74 Ca 0.07 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 5.68 -0.20 1.61 2.15 -1.26 -4.91 116.67 119.74 1j2o s ASP 75 Ca 0.00 1.74 -0.32 0.00 0.43 0.00 0.00 52.55 54.40 1j2o s ASP 75 Cb 0.00 -2.52 -0.09 0.00 -0.30 0.00 0.00 42.92 40.01 1j2o s ASP 75 CO 0.00 -1.24 2.11 0.52 -0.17 0.00 0.00 175.17 176.39 1j2o n VAL 76 N -2.38 0.40 -2.42 1.11 0.31 -1.26 -4.87 118.33 109.22 1j2o n VAL 76 Ca 0.08 -0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 1j2o n VAL 76 Cb 0.53 -2.12 -0.03 0.00 -0.91 0.00 0.00 33.84 31.31 1j2o n VAL 76 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1j2o s MET 77 N 5.58 3.06 0.00 5.55 1.00 -1.26 -4.82 119.30 128.41 1j2o s MET 77 Ca 1.00 -0.08 0.27 0.00 0.00 0.00 0.00 55.69 56.88 1j2o s MET 77 Cb -0.58 -4.31 1.62 0.00 0.00 0.00 0.00 34.83 31.56 1j2o s MET 77 CO 0.44 -2.32 2.04 1.33 0.00 0.00 0.00 175.02 176.51 1j2o n VAL 78 N 6.64 0.00 0.72 -6.03 0.24 -1.26 -2.99 118.33 115.65 1j2o n VAL 78 Ca 0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.52 1j2o n VAL 78 Cb 0.50 -0.43 0.29 0.00 -1.47 0.00 0.00 33.84 32.73 1j2o n VAL 78 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1j2o n VAL 79 N -0.93 0.29 0.00 3.34 0.24 -1.26 -4.95 118.33 115.06 1j2o n VAL 79 Ca 0.20 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1j2o n VAL 79 Cb 0.09 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 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 1.38 1.79 3.77 7.63 0.00 -1.16 -4.95 105.19 113.65 1j2o n GLY 80 Ca 0.05 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 4.40 0.05 1.61 0.41 -1.26 -4.98 118.70 118.94 1j2o s GLU 81 Ca 0.00 1.85 -0.18 0.00 -0.41 0.00 0.00 54.97 56.22 1j2o s GLU 81 Cb 0.00 -2.98 -0.08 0.00 -1.78 0.00 0.00 34.13 29.29 1j2o s GLU 81 CO 0.00 -0.02 1.29 -1.35 -0.49 0.00 0.00 175.26 174.70 1j2o h PRO 82 N 3.32 -0.42 0.00 0.39 0.11 -1.96 -3.44 132.00 129.99 1j2o h PRO 82 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j2o h PRO 82 Cb 1.22 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1j2o h PRO 82 CO 0.65 -0.28 0.00 2.41 -0.21 0.00 0.00 178.00 180.57 1j2o n THR 83 N -4.01 0.00 -2.57 -1.15 -1.04 -1.26 -4.47 114.28 99.78 1j2o n THR 83 Ca -0.05 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1j2o n THR 83 Cb 0.22 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 1j2o n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1j2o s LEU 84 N 0.00 3.27 -0.46 -4.42 1.43 -1.26 -4.58 118.68 112.66 1j2o s LEU 84 Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1j2o s LEU 84 Cb 0.00 -2.55 0.46 0.00 0.03 0.00 0.00 46.19 44.13 1j2o s LEU 84 CO 0.00 -1.78 1.89 0.80 0.23 0.00 0.00 176.35 177.49 1j2o n MET 85 N 9.22 2.20 -2.46 1.70 1.56 -1.26 -4.25 117.12 123.83 1j2o n MET 85 Ca 0.06 -2.58 -0.04 0.00 -0.27 0.00 0.00 57.70 54.87 1j2o n MET 85 Cb 0.49 -2.01 0.01 0.00 2.15 0.00 0.00 33.22 33.85 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 -0.67 -1.08 3.59 -5.12 0.00 -1.25 -4.15 105.19 96.50 1j2o n GLY 86 Ca 0.50 0.71 0.00 0.00 0.00 0.00 0.00 46.02 47.23 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 -0.63 2.13 3.48 -0.02 0.00 -1.24 -4.76 105.19 104.15 1j2o n GLY 87 Ca 0.06 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 1j2o n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j2o n GLU 88 N 0.00 3.31 0.00 1.61 4.71 -1.26 -4.85 120.64 124.16 1j2o n GLU 88 Ca 0.00 -3.61 0.00 0.00 -0.01 0.00 0.00 57.16 53.54 1j2o n GLU 88 Cb 0.00 -3.21 0.00 0.00 -1.01 0.00 0.00 31.44 27.22 1j2o n GLU 88 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1j2o n PHE 89 N 6.62 0.00 -2.52 -0.32 3.72 -1.26 -4.41 117.46 119.29 1j2o n PHE 89 Ca 0.42 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.71 1j2o n PHE 89 Cb 0.44 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.62 3.61 0.14 1.37 0.00 -1.26 -4.71 105.19 104.97 1j2o n GLY 90 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.57 0.00 0.26 1.61 5.68 -1.26 -4.36 116.55 117.90 1j2o n ASP 91 Ca 0.22 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.68 1j2o n ASP 91 Cb 0.85 -0.08 0.81 0.00 -1.14 0.00 0.00 41.12 41.56 1j2o n ASP 91 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1j2o h GLU 92 N 0.00 0.00 -0.62 0.11 5.08 -1.91 -0.46 114.58 116.78 1j2o h GLU 92 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1j2o h GLU 92 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1j2o h GLU 92 CO 0.00 0.00 0.11 -3.47 -1.00 0.00 0.00 179.01 174.65 1j2o n ASP 93 N -2.81 5.26 -4.65 1.42 2.03 -1.26 -4.95 116.55 111.59 1j2o n ASP 93 Ca -0.01 -3.07 -0.23 0.00 0.52 0.00 0.00 54.79 52.00 1j2o n ASP 93 Cb 0.18 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 39.80 1j2o n ASP 93 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1j2o s GLU 94 N -2.88 2.21 -0.93 -0.67 2.56 -0.18 -4.95 118.70 113.86 1j2o s GLU 94 Ca 0.54 -1.56 -0.24 0.00 0.00 0.00 0.00 54.97 53.71 1j2o s GLU 94 Cb 0.42 -2.07 0.05 0.00 2.00 0.00 0.00 34.13 34.53 1j2o s GLU 94 CO 0.14 0.25 1.37 0.50 -0.56 0.00 0.00 175.26 176.96 1j2o s ARG 95 N -3.71 3.47 0.56 4.30 3.52 -1.26 -4.98 118.95 120.85 1j2o s ARG 95 Ca 0.34 -0.90 -0.15 0.00 -0.13 0.00 0.00 55.73 54.89 1j2o s ARG 95 Cb -0.04 -4.98 -0.06 0.00 -1.56 0.00 0.00 34.95 28.32 1j2o s ARG 95 CO 0.20 -2.16 1.01 -0.51 -0.81 0.00 0.00 175.30 173.03 1j2o s LEU 96 N 5.04 3.47 0.48 -0.88 1.43 -1.23 -4.60 118.68 122.39 1j2o s LEU 96 Ca 0.42 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.97 1j2o s LEU 96 Cb -0.03 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.63 1j2o s LEU 96 CO -0.02 -0.78 0.86 0.27 0.23 0.00 0.00 176.35 176.91 1j2o s ILE 97 N -2.78 4.74 0.02 -0.59 -4.36 -1.26 -4.75 121.20 112.22 1j2o s ILE 97 Ca 0.58 0.71 0.06 0.00 -0.26 0.00 0.00 60.65 61.74 1j2o s ILE 97 Cb -0.11 -3.78 -0.02 0.00 1.25 0.00 0.00 42.46 39.80 1j2o s ILE 97 CO 0.40 -0.73 -0.17 0.28 0.24 0.00 0.00 174.94 174.95 1j2o s THR 98 N -2.64 1.37 -0.54 8.37 -1.32 -1.22 -4.67 115.64 115.00 1j2o s THR 98 Ca 0.53 -0.93 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 1j2o s THR 98 Cb -0.10 -1.18 0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1j2o s THR 98 CO 0.38 0.23 0.95 -0.13 -2.21 0.00 0.00 174.62 173.84 1j2o s ARG 99 N -0.82 3.35 0.36 7.08 1.81 -1.26 -3.46 118.95 126.01 1j2o s ARG 99 Ca 0.06 -0.21 0.08 0.00 -1.72 0.00 0.00 55.73 53.94 1j2o s ARG 99 Cb -0.07 -4.04 -0.05 0.00 -0.45 0.00 0.00 34.95 30.33 1j2o s ARG 99 CO 0.01 -1.47 0.10 -1.17 -0.68 0.00 0.00 175.30 172.09 1j2o s LEU 100 N 3.97 3.11 -0.06 2.53 2.96 -0.32 -4.99 118.68 125.88 1j2o s LEU 100 Ca 0.31 -0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 53.16 1j2o s LEU 100 Cb -0.12 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1j2o s LEU 100 CO 0.20 -0.34 0.30 -1.61 -1.32 0.00 0.00 176.35 173.58 1j2o s GLU 101 N -3.81 3.77 0.06 1.98 2.02 -1.26 -0.94 118.70 120.51 1j2o s GLU 101 Ca 0.37 0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.55 1j2o s GLU 101 Cb 0.00 -3.23 -0.26 0.00 0.10 0.00 0.00 34.13 30.74 1j2o s GLU 101 CO 0.21 0.68 1.06 -0.97 0.02 0.00 0.00 175.26 176.26 1j2o h ASN 102 N 4.98 0.31 0.00 -0.19 -1.24 -1.20 -3.46 115.58 114.77 1j2o h ASN 102 Ca -0.52 -0.36 0.00 0.00 0.71 0.00 0.00 56.30 56.13 1j2o h ASN 102 Cb 1.22 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1j2o h ASN 102 CO 0.61 1.29 0.00 0.35 -1.29 0.00 0.00 177.43 178.40 1j2o n THR 103 N -3.44 0.00 -3.04 -3.57 -2.24 -1.13 -5.03 114.28 95.83 1j2o n THR 103 Ca -0.10 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1j2o n THR 103 Cb 1.01 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.68 0.18 0.00 -0.78 -2.07 -1.26 -5.09 119.66 111.32 1j2o s GLN 104 Ca 0.00 0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.62 1j2o s GLN 104 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1j2o s GLN 104 CO 0.00 -0.30 0.00 0.34 -1.32 0.00 0.00 175.29 174.01 1j2o n PHE 105 N 4.67 0.00 0.00 9.60 7.35 -1.26 -5.05 117.46 132.76 1j2o n PHE 105 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1j2o n PHE 105 Cb 0.59 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.42 1j2o n PHE 105 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j2o n ASP 106 N -0.54 0.00 -1.85 -2.13 2.03 -1.26 -1.82 116.55 110.99 1j2o n ASP 106 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1j2o n ASP 106 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 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 0.89 3.33 0.32 -1.67 0.00 -1.26 -4.94 120.51 117.19 1j2o n ALA 107 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 53.44 52.61 1j2o n ALA 107 Cb 0.00 -0.58 0.19 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.78 1.45 0.26 0.00 0.00 -0.75 -0.15 120.51 120.53 1j2o n ALA 108 Ca -0.23 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.30 1j2o n ALA 108 Cb 0.79 -1.13 0.68 0.00 0.00 0.00 0.00 19.45 19.80 1j2o n ALA 108 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1j2o h ASN 109 N 0.00 0.00 0.00 0.00 7.08 -1.90 -3.42 115.58 117.35 1j2o h ASN 109 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1j2o h ASN 109 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 1j2o h ASN 109 CO 0.00 0.14 0.00 0.61 -2.08 0.00 0.00 177.43 176.10 1j2o n GLY 110 N -0.71 0.45 0.26 9.14 0.00 -0.79 -5.00 105.19 108.54 1j2o n GLY 110 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1j2o n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1j2o h ILE 111 N 0.00 1.27 0.00 -0.61 1.08 -1.74 -3.40 117.51 114.12 1j2o h ILE 111 Ca 0.00 -1.37 -0.19 0.00 -0.39 0.00 0.00 64.86 62.91 1j2o h ILE 111 Cb 0.00 1.27 -0.14 0.00 -3.07 0.00 0.00 36.82 34.88 1j2o h ILE 111 CO 0.00 0.45 -0.38 -0.67 -0.69 0.00 0.00 178.15 176.86 1j2o n ASP 112 N -4.10 -2.51 -4.62 1.72 -0.08 0.79 -5.04 116.55 102.70 1j2o n ASP 112 Ca -0.00 -2.97 -0.43 0.00 -1.51 0.00 0.00 54.79 49.88 1j2o n ASP 112 Cb 0.45 1.58 -0.03 0.00 2.34 0.00 0.00 41.12 45.46 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1j2o s ASP 113 N -1.35 6.79 0.00 1.67 2.15 -1.09 -3.84 116.67 121.00 1j2o s ASP 113 Ca 0.30 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.10 1j2o s ASP 113 Cb 0.23 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1j2o s ASP 113 CO -0.20 -0.83 0.00 1.21 -0.17 0.00 0.00 175.17 175.18