#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 5.78 0.88 1.61 0.01 -1.26 -5.04 113.70 115.69 1j2o s SER 2 Ca 0.00 1.86 -0.12 0.00 1.31 0.00 0.00 55.95 58.99 1j2o s SER 2 Cb 0.00 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.81 1j2o s SER 2 CO 0.00 -1.17 1.16 -0.76 0.41 0.00 0.00 173.24 172.88 1j2o s LEU 3 N -4.40 2.19 -0.01 2.44 2.01 -1.26 -5.08 118.68 114.56 1j2o s LEU 3 Ca 0.65 0.87 0.02 0.00 0.01 0.00 0.00 54.13 55.67 1j2o s LEU 3 Cb -0.17 -3.23 0.00 0.00 0.01 0.00 0.00 46.19 42.80 1j2o s LEU 3 CO 0.35 -2.36 -0.06 -1.48 1.01 0.00 0.00 176.35 173.82 1j2o s LEU 4 N -5.88 1.85 0.08 1.79 2.34 -1.26 -5.11 118.68 112.50 1j2o s LEU 4 Ca 0.64 -0.11 0.05 0.00 0.06 0.00 0.00 54.13 54.76 1j2o s LEU 4 Cb -0.13 -0.35 -0.03 0.00 -0.56 0.00 0.00 46.19 45.12 1j2o s LEU 4 CO 0.52 0.05 -0.12 0.42 -1.06 0.00 0.00 176.35 176.15 1j2o s THR 5 N 0.09 1.04 0.04 5.48 -4.23 -1.26 -1.34 115.64 115.45 1j2o s THR 5 Ca -0.01 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 58.89 1j2o s THR 5 Cb -0.05 -1.19 -0.06 0.00 1.34 0.00 0.00 72.50 72.54 1j2o s THR 5 CO -0.00 -0.38 0.47 0.00 -0.54 0.00 0.00 174.62 174.17 1j2o n GLY 7 N 1.69 -1.22 0.13 0.00 0.00 0.02 -0.67 105.19 105.14 1j2o n GLY 7 Ca -0.12 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 0.13 -0.51 0.07 -0.02 0.00 -1.26 -4.78 105.19 98.81 1j2o n GLY 8 Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.98 -0.25 0.00 0.00 1.13 0.16 -4.92 117.38 109.52 1j2o n GLN 10 Ca -0.10 0.36 0.13 0.00 -1.94 0.00 0.00 57.00 55.45 1j2o n GLN 10 Cb 0.37 -4.02 0.44 0.00 0.11 0.00 0.00 30.24 27.15 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 -2.00 0.24 -0.19 -1.09 0.00 -1.26 -4.87 117.38 108.20 1j2o n GLN 11 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 57.00 56.86 1j2o n GLN 11 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1j2o n GLN 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1j2o n ASN 12 N -1.29 -1.23 -4.65 2.61 5.15 -1.26 -4.97 115.26 109.62 1j2o n ASN 12 Ca 0.09 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.64 1j2o n ASN 12 Cb 0.32 -0.16 -0.02 0.00 -0.53 0.00 0.00 39.78 39.40 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 -0.23 4.62 0.00 -1.44 1.01 -0.45 -4.87 121.20 119.83 1j2o s ILE 13 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 60.65 62.57 1j2o s ILE 13 Cb 0.00 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1j2o s ILE 13 CO 0.00 -0.29 0.65 0.61 0.00 0.00 0.00 174.94 175.91 1j2o n GLY 14 N 3.52 0.42 1.85 6.18 0.00 -1.26 -4.84 105.19 111.05 1j2o n GLY 14 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.21 -1.05 0.03 1.61 8.00 -1.26 -4.97 116.55 118.71 1j2o n ASP 15 Ca 0.00 -0.97 -0.04 0.00 0.71 0.00 0.00 54.79 54.49 1j2o n ASP 15 Cb 0.22 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.71 1j2o n ASP 15 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1j2o h ARG 16 N 0.00 0.00 -4.03 -1.24 -0.00 -1.96 -3.37 114.38 103.78 1j2o h ARG 16 Ca -0.21 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.59 1j2o h ARG 16 Cb 0.63 0.00 -0.21 0.00 -0.00 0.00 0.00 29.97 30.39 1j2o h ARG 16 CO 0.14 0.54 -0.70 -0.47 -0.00 0.00 0.00 179.97 179.48 1j2o s TYR 17 N -2.77 0.30 0.26 4.08 5.04 -1.26 -1.76 117.35 121.23 1j2o s TYR 17 Ca -0.02 -0.55 -0.09 0.00 -2.44 0.00 0.00 57.07 53.97 1j2o s TYR 17 Cb 0.09 -0.21 0.04 0.00 0.35 0.00 0.00 41.96 42.22 1j2o s TYR 17 CO 0.81 -0.19 0.51 1.97 -1.34 0.00 0.00 175.55 177.31 1j2o n PHE 18 N 1.54 -1.85 -4.21 4.97 -1.74 -0.85 -4.54 117.46 110.79 1j2o n PHE 18 Ca -0.24 -1.24 -0.17 0.00 -0.56 0.00 0.00 57.45 55.24 1j2o n PHE 18 Cb 0.55 0.59 -0.13 0.00 1.52 0.00 0.00 39.48 42.02 1j2o n PHE 18 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1j2o s LEU 19 N 0.00 2.19 -0.08 5.98 1.43 -1.24 -1.57 118.68 125.38 1j2o s LEU 19 Ca 0.11 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1j2o s LEU 19 Cb -0.03 -0.41 0.08 0.00 0.03 0.00 0.00 46.19 45.86 1j2o s LEU 19 CO 0.08 -0.05 0.72 -0.75 0.23 0.00 0.00 176.35 176.58 1j2o s LYS 20 N -1.22 0.99 0.00 1.70 2.36 -1.21 -0.57 119.74 121.79 1j2o s LYS 20 Ca -0.02 0.31 0.00 0.00 -2.55 0.00 0.00 55.97 53.71 1j2o s LYS 20 Cb -0.08 0.47 0.00 0.00 -1.05 0.00 0.00 37.83 37.17 1j2o s LYS 20 CO 0.01 -0.30 0.00 0.00 1.55 0.00 0.00 175.35 176.61 1j2o n ALA 21 N 1.05 0.00 0.10 3.13 0.00 -1.25 -3.69 120.51 119.85 1j2o n ALA 21 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1j2o n ALA 21 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 0.28 0.00 0.00 2.04 -1.95 -3.45 117.51 114.44 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 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 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 -5.43 0.00 -4.10 1.72 2.03 -1.26 -5.09 116.55 104.42 1j2o n ASP 23 Ca -0.06 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.14 1j2o n ASP 23 Cb 0.34 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.66 1j2o n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o s GLN 24 N 0.00 1.26 0.44 -0.67 0.00 -1.26 -5.16 119.66 114.27 1j2o s GLN 24 Ca 0.00 -1.44 -0.08 0.00 -0.00 0.00 0.00 55.36 53.85 1j2o s GLN 24 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 33.01 33.30 1j2o s GLN 24 CO 0.00 -0.45 0.78 0.71 0.00 0.00 0.00 175.29 176.32 1j2o s TYR 25 N -4.08 3.52 0.00 9.60 2.02 -1.23 -3.76 117.35 123.41 1j2o s TYR 25 Ca 0.30 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 1j2o s TYR 25 Cb 0.04 -2.37 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 1j2o s TYR 25 CO 0.08 -0.19 0.00 0.91 -1.57 0.00 0.00 175.55 174.78 1j2o n TRP 26 N -1.77 0.00 -4.08 2.71 7.02 0.26 -0.80 117.44 120.78 1j2o n TRP 26 Ca 0.01 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.26 1j2o n TRP 26 Cb 0.54 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.37 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 -1.38 2.67 0.06 -5.99 3.76 -1.26 -3.71 115.29 109.44 1j2o s HIS 27 Ca 0.00 -0.44 -0.24 0.00 -0.15 0.00 0.00 55.06 54.23 1j2o s HIS 27 Cb 0.00 -1.74 -0.16 0.00 1.11 0.00 0.00 32.58 31.78 1j2o s HIS 27 CO 0.00 0.28 1.60 0.93 -0.85 0.00 0.00 174.74 176.70 1j2o h GLU 28 N 1.50 0.01 -0.19 1.40 4.39 -1.85 -2.84 114.58 117.00 1j2o h GLU 28 Ca -0.43 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1j2o h GLU 28 Cb 1.25 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1j2o h GLU 28 CO 0.65 0.16 0.00 -0.40 -1.16 0.00 0.00 179.01 178.25 1j2o n ASP 29 N -5.01 1.92 -0.03 1.42 5.75 -1.26 -4.12 116.55 115.22 1j2o n ASP 29 Ca -0.07 -1.75 -0.21 0.00 -0.01 0.00 0.00 54.79 52.75 1j2o n ASP 29 Cb 0.10 -0.12 -0.13 0.00 -1.03 0.00 0.00 41.12 39.94 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j2o s LEU 31 N -7.13 3.41 0.34 0.00 0.20 -1.10 -4.91 118.68 109.50 1j2o s LEU 31 Ca -0.25 -2.02 0.08 0.00 0.69 0.00 0.00 54.13 52.62 1j2o s LEU 31 Cb 0.07 -2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1j2o s LEU 31 CO 0.71 -2.20 0.17 -0.44 -0.29 0.00 0.00 176.35 174.30 1j2o s SER 32 N 5.45 4.74 0.80 3.68 0.01 -1.26 -4.71 113.70 122.41 1j2o s SER 32 Ca 0.62 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 57.01 1j2o s SER 32 Cb 0.01 -0.74 0.07 0.00 0.21 0.00 0.00 66.02 65.58 1j2o s SER 32 CO 0.11 -0.32 1.09 0.00 0.41 0.00 0.00 173.24 174.53 1j2o h ASP 34 N -1.11 0.10 0.00 0.00 3.58 -1.75 -3.26 116.42 113.98 1j2o h ASP 34 Ca -0.47 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.21 1j2o h ASP 34 Cb 1.27 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1j2o h ASP 34 CO 0.59 0.86 -0.63 -0.11 -2.88 0.00 0.00 179.24 177.07 1j2o n LEU 35 N -4.62 1.63 0.23 2.28 7.94 -1.26 -4.69 117.00 118.51 1j2o n LEU 35 Ca -0.09 0.46 -0.14 0.00 -1.11 0.00 0.00 56.01 55.13 1j2o n LEU 35 Cb 0.43 -0.78 -0.07 0.00 0.53 0.00 0.00 43.42 43.53 1j2o n LEU 35 CO 0.36 -0.40 0.52 0.00 -1.11 0.00 0.00 177.39 176.76 1j2o n GLY 37 N -1.42 2.25 0.00 0.00 0.00 -1.23 -4.91 105.19 99.87 1j2o n GLY 37 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.80 -0.14 0.00 1.81 -1.26 -4.73 118.95 116.43 1j2o s ARG 39 Ca 0.00 -2.07 0.00 0.00 -1.72 0.00 0.00 55.73 51.94 1j2o s ARG 39 Cb 0.00 -0.29 -0.24 0.00 -0.45 0.00 0.00 34.95 33.97 1j2o s ARG 39 CO 0.00 -0.50 0.27 1.28 -0.68 0.00 0.00 175.30 175.66 1j2o n LEU 40 N -0.76 2.25 0.00 2.53 4.77 -1.26 -4.52 117.00 120.00 1j2o n LEU 40 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1j2o n LEU 40 Cb 0.64 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1j2o n LEU 40 CO 0.35 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1j2o n GLY 41 N 1.97 4.54 2.41 -0.72 0.00 -1.26 -4.62 105.19 107.50 1j2o n GLY 41 Ca -0.33 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.77 -3.55 1.61 4.71 -0.95 -4.94 120.64 115.75 1j2o n GLU 42 Ca 0.00 0.92 -0.29 0.00 -0.01 0.00 0.00 57.16 57.78 1j2o n GLU 42 Cb 0.00 -5.50 -0.15 0.00 -1.01 0.00 0.00 31.44 24.78 1j2o n GLU 42 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1j2o s VAL 43 N -2.83 0.03 0.00 2.62 0.11 -1.23 -4.76 120.40 114.35 1j2o s VAL 43 Ca 0.00 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1j2o s VAL 43 Cb 0.00 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1j2o s VAL 43 CO 0.00 -0.75 0.00 0.61 -3.33 0.00 0.00 175.10 171.63 1j2o n GLY 44 N 5.12 1.27 0.50 6.54 0.00 -1.26 -4.70 105.19 112.65 1j2o n GLY 44 Ca -0.04 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.05 1.31 -4.42 1.61 0.00 -1.26 -4.69 116.66 108.15 1j2o n ARG 45 Ca 0.00 -1.45 -0.21 0.00 -0.00 0.00 0.00 57.85 56.19 1j2o n ARG 45 Cb 0.00 -1.23 -0.10 0.00 -0.00 0.00 0.00 32.46 31.13 1j2o n ARG 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1j2o s ARG 46 N -0.94 1.61 -0.05 2.89 0.52 -1.26 -5.02 118.95 116.70 1j2o s ARG 46 Ca 0.16 -1.90 -0.02 0.00 -0.52 0.00 0.00 55.73 53.45 1j2o s ARG 46 Cb 0.10 -0.71 0.03 0.00 0.52 0.00 0.00 34.95 34.89 1j2o s ARG 46 CO 0.14 -0.23 0.08 -1.17 0.02 0.00 0.00 175.30 174.14 1j2o s LEU 47 N -3.45 0.24 0.04 2.53 0.20 -1.23 -1.73 118.68 115.27 1j2o s LEU 47 Ca 0.36 0.13 0.07 0.00 0.69 0.00 0.00 54.13 55.37 1j2o s LEU 47 Cb 0.08 -0.04 -0.02 0.00 -0.43 0.00 0.00 46.19 45.77 1j2o s LEU 47 CO 0.15 -0.23 -0.19 -0.47 -0.29 0.00 0.00 176.35 175.32 1j2o s TYR 48 N 2.02 1.64 0.06 5.38 5.04 0.56 -4.98 117.35 127.08 1j2o s TYR 48 Ca 0.02 -0.36 -0.09 0.00 -2.44 0.00 0.00 57.07 54.20 1j2o s TYR 48 Cb -0.12 -0.98 -0.00 0.00 0.35 0.00 0.00 41.96 41.21 1j2o s TYR 48 CO -0.04 0.07 0.18 1.52 -1.34 0.00 0.00 175.55 175.95 1j2o s TYR 49 N -0.79 0.11 0.76 4.97 1.13 -1.26 -4.67 117.35 117.61 1j2o s TYR 49 Ca 0.06 -0.44 -0.09 0.00 -1.41 0.00 0.00 57.07 55.19 1j2o s TYR 49 Cb -0.08 -0.06 0.09 0.00 -1.10 0.00 0.00 41.96 40.81 1j2o s TYR 49 CO 0.01 -0.48 1.09 0.21 -2.51 0.00 0.00 175.55 173.88 1j2o s LYS 50 N -3.17 1.88 -0.16 -3.49 2.47 0.11 -4.90 119.74 112.49 1j2o s LYS 50 Ca -0.00 -0.27 -0.02 0.00 -1.56 0.00 0.00 55.97 54.12 1j2o s LYS 50 Cb 0.02 -2.09 -0.07 0.00 -1.46 0.00 0.00 37.83 34.22 1j2o s LYS 50 CO -0.07 -1.50 1.60 1.47 0.16 0.00 0.00 175.35 177.00 1j2o n LEU 51 N -3.12 2.12 0.00 5.43 -0.00 -1.26 -2.50 117.00 117.68 1j2o n LEU 51 Ca 0.10 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.49 1j2o n LEU 51 Cb 0.60 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1j2o n LEU 51 CO 0.51 0.15 0.00 0.61 -0.00 0.00 0.00 177.39 178.66 1j2o n GLY 52 N 3.12 -0.46 2.85 1.47 0.00 -1.26 -5.12 105.19 105.79 1j2o n GLY 52 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.18 -1.47 1.61 0.52 -1.04 -5.03 118.95 114.72 1j2o s ARG 53 Ca 0.00 -0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 1j2o s ARG 53 Cb 0.00 -1.45 0.03 0.00 0.52 0.00 0.00 34.95 34.04 1j2o s ARG 53 CO 0.00 -0.31 2.40 1.63 0.02 0.00 0.00 175.30 179.04 1j2o n LYS 54 N 5.01 3.35 -2.94 3.54 5.02 -1.26 0.09 118.16 130.96 1j2o n LYS 54 Ca -0.10 -2.69 -0.18 0.00 -2.02 0.00 0.00 58.31 53.32 1j2o n LYS 54 Cb 0.50 -3.04 0.02 0.00 -0.02 0.00 0.00 35.03 32.48 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 0.93 3.59 0.00 -0.35 2.34 -1.26 -2.05 118.68 121.88 1j2o s LEU 55 Ca 0.53 -0.34 0.03 0.00 0.06 0.00 0.00 54.13 54.42 1j2o s LEU 55 Cb 0.15 -2.70 0.04 0.00 -0.56 0.00 0.00 46.19 43.12 1j2o s LEU 55 CO -0.07 -0.83 0.32 0.00 -1.06 0.00 0.00 176.35 174.71 1j2o h ARG 57 N 0.00 0.17 -0.05 0.00 9.65 -1.89 -2.49 114.38 119.77 1j2o h ARG 57 Ca -0.11 -0.24 -0.13 0.00 -1.10 0.00 0.00 59.98 58.41 1j2o h ARG 57 Cb 0.49 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1j2o h ARG 57 CO 0.15 1.04 -0.46 0.00 2.80 0.00 0.00 179.97 183.51 1j2o h ARG 58 N 0.07 0.40 -0.00 0.20 2.47 -1.88 -1.58 114.38 114.06 1j2o h ARG 58 Ca -0.06 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1j2o h ARG 58 Cb 1.70 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 30.11 1j2o h ARG 58 CO 0.15 1.02 -0.01 -0.40 0.56 0.00 0.00 179.97 181.29 1j2o n ASP 59 N -4.31 0.01 0.13 7.04 5.68 -1.25 -0.99 116.55 122.86 1j2o n ASP 59 Ca -0.09 0.32 -0.24 0.00 -0.50 0.00 0.00 54.79 54.28 1j2o n ASP 59 Cb 0.59 -0.43 -0.15 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.99 0.41 2.11 3.20 -1.34 -3.35 116.97 119.00 1j2o h TYR 60 Ca 0.00 -0.69 -0.02 0.00 3.14 0.00 0.00 58.73 61.16 1j2o h TYR 60 Cb 0.45 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1j2o h TYR 60 CO 0.00 1.53 -0.20 1.25 -1.64 0.00 0.00 178.16 179.10 1j2o h LEU 61 N 0.19 -0.47 0.00 2.82 7.12 -0.93 -3.49 115.31 120.55 1j2o h LEU 61 Ca -0.23 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.69 1j2o h LEU 61 Cb 2.09 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 42.34 1j2o h LEU 61 CO 0.26 -0.04 0.00 -1.14 -0.13 0.00 0.00 178.44 177.39 1j2o n ARG 62 N -5.16 0.00 -0.09 1.25 3.00 -0.16 -4.92 116.66 110.57 1j2o n ARG 62 Ca -0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.56 1j2o n ARG 62 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.66 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 0.00 1.35 0.00 6.15 -0.00 -1.22 -4.10 117.00 119.18 1j2o n LEU 63 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1j2o n LEU 63 Cb 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.86 1j2o n LEU 63 CO 0.00 0.36 0.35 0.61 -0.00 0.00 0.00 177.39 178.71 1j2o n GLY 64 N 1.82 0.54 2.64 1.47 0.00 -1.24 -3.87 105.19 106.54 1j2o n GLY 64 Ca -0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.24 -0.09 0.13 -0.02 0.00 -1.06 -4.74 105.19 99.17 1j2o n GLY 65 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1j2o n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j2o h SER 66 N -0.10 0.40 0.00 1.61 0.02 -1.90 -3.38 113.55 110.20 1j2o h SER 66 Ca -0.18 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 1j2o h SER 66 Cb 0.41 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1j2o h SER 66 CO 0.25 1.00 -0.03 0.61 -1.14 0.00 0.00 176.83 177.51 1j2o n GLY 67 N 0.73 0.01 4.09 -3.77 0.00 -1.26 -3.20 105.19 101.80 1j2o n GLY 67 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.08 2.13 1.87 -0.02 0.00 -1.26 -3.56 105.19 104.43 1j2o n GLY 68 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1j2o n GLY 68 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j2o n HIS 69 N 0.00 -1.96 0.00 1.61 -0.00 -1.26 -4.99 115.22 108.62 1j2o n HIS 69 Ca 0.00 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1j2o n HIS 69 Cb 0.00 0.51 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 1j2o n HIS 69 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1j2o n MET 70 N -3.36 0.00 0.00 1.57 2.81 -1.25 -5.05 117.12 111.84 1j2o n MET 70 Ca 0.00 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1j2o n MET 70 Cb 0.01 -1.06 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1j2o n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j2o n GLY 71 N 1.50 0.70 2.68 3.03 0.00 -1.23 -4.98 105.19 106.88 1j2o n GLY 71 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 4.29 -4.58 1.61 7.64 -1.26 -3.75 113.62 117.57 1j2o n SER 72 Ca 0.00 -3.56 -0.44 0.00 1.01 0.00 0.00 58.87 55.88 1j2o n SER 72 Cb 0.00 -0.66 -0.04 0.00 -1.01 0.00 0.00 64.21 62.51 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 0.35 0.91 0.00 0.23 0.00 -1.26 -4.31 105.19 101.10 1j2o n GLY 73 Ca 0.31 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 5.90 0.81 3.51 -0.02 0.00 -1.26 -2.05 105.19 112.08 1j2o n GLY 74 Ca 0.32 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.33 1j2o n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j2o s ASP 75 N 2.00 6.41 0.12 1.61 2.15 -1.26 -4.85 116.67 122.85 1j2o s ASP 75 Ca 0.00 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.66 1j2o s ASP 75 Cb 0.00 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 1j2o s ASP 75 CO 0.00 -1.45 -0.00 -0.69 -0.17 0.00 0.00 175.17 172.85 1j2o s VAL 76 N 4.41 0.43 -0.31 1.11 1.01 -1.26 -5.09 120.40 120.71 1j2o s VAL 76 Ca 0.37 -1.92 -0.32 0.00 0.00 0.00 0.00 61.98 60.11 1j2o s VAL 76 Cb -0.05 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1j2o s VAL 76 CO -0.02 -0.66 2.22 0.23 0.00 0.00 0.00 175.10 176.87 1j2o n MET 77 N -0.09 1.43 -3.26 2.72 2.81 -1.26 -3.41 117.12 116.06 1j2o n MET 77 Ca -0.09 0.38 -0.19 0.00 -1.81 0.00 0.00 57.70 55.99 1j2o n MET 77 Cb 0.62 -2.82 0.02 0.00 -0.71 0.00 0.00 33.22 30.33 1j2o n MET 77 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j2o n VAL 78 N 7.48 -7.39 -0.02 2.03 0.31 -1.26 -4.94 118.33 114.54 1j2o n VAL 78 Ca 0.37 0.27 0.09 0.00 -0.01 0.00 0.00 64.34 65.05 1j2o n VAL 78 Cb 0.33 -5.33 -0.16 0.00 -0.91 0.00 0.00 33.84 27.78 1j2o n VAL 78 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1j2o n VAL 79 N -0.97 0.10 -0.88 2.52 0.24 -1.22 -4.96 118.33 113.17 1j2o n VAL 79 Ca -0.05 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1j2o n VAL 79 Cb 0.58 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 1.40 0.86 3.59 7.63 0.00 -1.26 -4.26 105.19 113.15 1j2o n GLY 80 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.18 -1.46 0.00 1.61 4.71 -1.26 -5.02 120.64 117.04 1j2o n GLU 81 Ca 0.00 0.96 0.00 0.00 -0.01 0.00 0.00 57.16 58.11 1j2o n GLU 81 Cb 0.00 -3.31 0.00 0.00 -1.01 0.00 0.00 31.44 27.12 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 -2.43 0.00 -2.28 3.49 -0.04 -1.26 -4.84 135.00 127.64 1j2o n PRO 82 Ca -0.23 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.83 1j2o n PRO 82 Cb 0.64 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.09 1j2o n PRO 82 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j2o n THR 83 N 0.00 3.47 -2.26 0.52 -2.24 -1.26 -4.91 114.28 107.60 1j2o n THR 83 Ca 0.00 -3.49 -0.39 0.00 -2.27 0.00 0.00 64.05 57.90 1j2o n THR 83 Cb 0.00 -2.37 -0.03 0.00 -2.10 0.00 0.00 70.33 65.83 1j2o n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j2o s LEU 84 N 4.66 3.24 -0.03 3.22 1.43 -1.26 -4.65 118.68 125.30 1j2o s LEU 84 Ca 0.55 -0.14 0.12 0.00 -1.03 0.00 0.00 54.13 53.63 1j2o s LEU 84 Cb 0.06 -2.55 0.21 0.00 0.03 0.00 0.00 46.19 43.95 1j2o s LEU 84 CO 0.06 -2.15 1.09 0.80 0.23 0.00 0.00 176.35 176.37 1j2o n MET 85 N 9.22 0.22 -2.85 1.70 1.56 -1.19 -4.98 117.12 120.79 1j2o n MET 85 Ca 0.16 -1.66 -0.11 0.00 -0.27 0.00 0.00 57.70 55.81 1j2o n MET 85 Cb 0.50 -0.47 0.06 0.00 2.15 0.00 0.00 33.22 35.46 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 -0.01 -0.39 3.49 -5.12 0.00 -0.87 -3.83 105.19 98.46 1j2o n GLY 86 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1j2o n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 87 N -1.22 1.88 2.73 -0.02 0.00 -1.09 -4.56 105.19 102.92 1j2o n GLY 87 Ca -0.11 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 3.65 -2.55 1.61 1.02 -1.19 -4.18 120.64 119.00 1j2o n GLU 88 Ca 0.00 -3.25 -0.40 0.00 -0.02 0.00 0.00 57.16 53.49 1j2o n GLU 88 Cb 0.00 -2.93 -0.05 0.00 -0.02 0.00 0.00 31.44 28.44 1j2o n GLU 88 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1j2o s PHE 89 N 0.76 3.69 0.00 -0.32 0.08 -1.26 -4.81 117.98 116.13 1j2o s PHE 89 Ca 0.45 1.75 0.00 0.00 0.12 0.00 0.00 56.93 59.25 1j2o s PHE 89 Cb 0.13 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1j2o s PHE 89 CO -0.03 -0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 1j2o n GLY 90 N 1.37 -1.53 0.00 4.36 0.00 -1.26 -4.85 105.19 103.28 1j2o n GLY 90 Ca -0.01 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 0.04 1.61 5.75 -1.26 -5.11 116.55 117.59 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 -1.84 -0.11 0.00 0.00 177.20 175.25 1j2o n GLU 92 N 0.00 0.00 -1.10 0.11 0.00 -1.26 -4.98 120.64 113.41 1j2o n GLU 92 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1j2o n GLU 92 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 1j2o n GLU 92 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1j2o n ASP 93 N -2.77 0.57 0.00 -1.84 2.03 -1.26 -5.06 116.55 108.22 1j2o n ASP 93 Ca 0.00 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1j2o n ASP 93 Cb 0.00 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1j2o n GLU 94 N 0.30 0.00 -4.12 -0.67 0.00 -1.26 -4.37 120.64 110.52 1j2o n GLU 94 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.96 1j2o n GLU 94 Cb 0.96 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 32.24 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 1.13 0.25 3.44 6.06 -1.25 -0.32 118.95 128.27 1j2o s ARG 95 Ca 0.00 -0.16 0.11 0.00 -2.50 0.00 0.00 55.73 53.17 1j2o s ARG 95 Cb 0.00 -1.16 -0.05 0.00 0.06 0.00 0.00 34.95 33.81 1j2o s ARG 95 CO 0.00 -0.14 -0.18 -0.48 -2.50 0.00 0.00 175.30 171.99 1j2o s LEU 96 N 1.25 2.58 -0.16 -0.88 0.05 -0.71 -2.25 118.68 118.56 1j2o s LEU 96 Ca -0.05 -1.02 -0.18 0.00 0.05 0.00 0.00 54.13 52.93 1j2o s LEU 96 Cb -0.14 -0.96 0.05 0.00 -2.05 0.00 0.00 46.19 43.09 1j2o s LEU 96 CO -0.02 -0.03 0.49 0.27 -0.55 0.00 0.00 176.35 176.51 1j2o s ILE 97 N -2.64 0.01 -0.24 1.48 -4.36 -1.26 -4.78 121.20 109.40 1j2o s ILE 97 Ca 0.27 -0.05 -0.08 0.00 -0.26 0.00 0.00 60.65 60.53 1j2o s ILE 97 Cb -0.04 -0.70 -0.03 0.00 1.25 0.00 0.00 42.46 42.94 1j2o s ILE 97 CO 0.12 -0.03 0.09 -0.89 0.24 0.00 0.00 174.94 174.47 1j2o s THR 98 N -0.01 4.58 -0.67 8.37 2.01 -1.24 -4.89 115.64 123.79 1j2o s THR 98 Ca -0.02 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 1j2o s THR 98 Cb -0.03 -3.13 0.09 0.00 0.01 0.00 0.00 72.50 69.43 1j2o s THR 98 CO 0.02 0.35 0.90 -0.13 -0.69 0.00 0.00 174.62 175.07 1j2o s ARG 99 N 1.37 3.14 0.49 4.92 0.52 -1.26 -3.32 118.95 124.80 1j2o s ARG 99 Ca 0.05 -1.07 -0.02 0.00 -0.52 0.00 0.00 55.73 54.18 1j2o s ARG 99 Cb -0.15 -4.30 -0.00 0.00 0.52 0.00 0.00 34.95 31.02 1j2o s ARG 99 CO 0.04 -1.73 0.75 -1.17 0.02 0.00 0.00 175.30 173.21 1j2o s LEU 100 N 3.53 3.52 -0.43 2.53 2.96 -0.61 -4.89 118.68 125.29 1j2o s LEU 100 Ca 0.20 0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 54.39 1j2o s LEU 100 Cb -0.18 -3.32 0.03 0.00 0.50 0.00 0.00 46.19 43.21 1j2o s LEU 100 CO 0.07 -0.80 0.45 -1.61 -1.32 0.00 0.00 176.35 173.14 1j2o s GLU 101 N -4.70 3.09 0.16 1.98 8.01 -1.26 -2.00 118.70 123.98 1j2o s GLU 101 Ca 0.50 -0.79 -0.11 0.00 0.01 0.00 0.00 54.97 54.58 1j2o s GLU 101 Cb -0.10 -3.98 0.02 0.00 -4.31 0.00 0.00 34.13 25.75 1j2o s GLU 101 CO 0.40 -0.89 1.58 -0.97 0.01 0.00 0.00 175.26 175.39 1j2o h ASN 102 N 8.75 0.96 0.00 -0.19 -1.24 -1.58 -3.44 115.58 118.84 1j2o h ASN 102 Ca -0.26 -0.35 0.00 0.00 0.71 0.00 0.00 56.30 56.39 1j2o h ASN 102 Cb 1.11 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1j2o h ASN 102 CO 0.81 1.09 0.00 1.07 -1.29 0.00 0.00 177.43 179.11 1j2o n THR 103 N -4.21 0.00 -3.37 -3.57 5.66 -1.24 -5.03 114.28 102.53 1j2o n THR 103 Ca 0.01 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.75 1j2o n THR 103 Cb 0.39 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.09 1j2o n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j2o n GLN 104 N 0.00 1.87 -3.15 1.09 10.64 -1.26 -4.99 117.38 121.58 1j2o n GLN 104 Ca 0.00 -4.17 0.04 0.00 -1.83 0.00 0.00 57.00 51.05 1j2o n GLN 104 Cb 0.00 -1.91 -0.00 0.00 -0.86 0.00 0.00 30.24 27.47 1j2o n GLN 104 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1j2o s PHE 105 N -1.97 -1.59 0.00 2.61 5.36 -1.26 -5.01 117.98 116.13 1j2o s PHE 105 Ca 0.38 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 1j2o s PHE 105 Cb 0.15 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.14 1j2o s PHE 105 CO -0.05 -0.92 0.00 -3.47 -1.46 0.00 0.00 175.22 169.32 1j2o n ASP 106 N 5.38 0.00 -2.65 6.13 2.03 -1.26 -4.65 116.55 121.52 1j2o n ASP 106 Ca 0.05 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.17 1j2o n ASP 106 Cb 0.54 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.98 1j2o n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n ALA 107 N -1.65 -0.88 -2.58 -1.67 0.00 -0.69 -4.97 120.51 108.07 1j2o n ALA 107 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.67 1j2o n ALA 107 Cb 0.00 -3.72 0.02 0.00 0.00 0.00 0.00 19.45 15.74 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 -3.70 0.11 -0.11 0.00 0.00 -1.12 -4.95 120.51 110.75 1j2o n ALA 108 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1j2o n ALA 108 Cb 0.58 0.08 0.20 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.94 3.63 0.00 0.00 5.15 -1.26 -4.37 115.26 115.47 1j2o n ASN 109 Ca 0.03 -2.60 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 1j2o n ASN 109 Cb 0.11 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 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 0.20 1.73 0.18 8.20 0.00 -1.26 -4.95 105.19 109.29 1j2o n GLY 110 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.14 0.07 0.00 -0.61 2.08 -1.26 -5.12 119.36 114.37 1j2o n ILE 111 Ca 0.00 0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.71 1j2o n ILE 111 Cb 0.00 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1j2o n ASP 112 N -2.58 0.00 -3.99 4.38 5.68 -1.26 -5.01 116.55 113.77 1j2o n ASP 112 Ca -0.01 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 1j2o n ASP 112 Cb 0.02 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.85 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j2o s ASP 113 N 2.00 4.62 0.00 -1.12 2.15 -1.26 -1.70 116.67 121.36 1j2o s ASP 113 Ca 0.00 -2.39 0.17 0.00 0.43 0.00 0.00 52.55 50.76 1j2o s ASP 113 Cb 0.00 -1.61 0.13 0.00 -0.30 0.00 0.00 42.92 41.14 1j2o s ASP 113 CO 0.00 -0.34 1.04 1.21 -0.17 0.00 0.00 175.17 176.91