#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2o n SER 2 N 0.00 0.00 -4.23 1.61 7.64 -1.26 -5.11 113.62 112.27 1j2o n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1j2o n SER 2 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 1j2o n SER 2 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1j2o s LEU 3 N 0.00 1.56 0.38 -3.43 1.43 -1.26 -5.04 118.68 112.32 1j2o s LEU 3 Ca 0.00 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 53.71 1j2o s LEU 3 Cb 0.00 -2.70 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 1j2o s LEU 3 CO 0.00 -3.32 0.71 -0.76 0.23 0.00 0.00 176.35 173.21 1j2o s LEU 4 N -6.43 3.88 -0.02 1.79 1.43 -1.26 -4.97 118.68 113.10 1j2o s LEU 4 Ca 0.69 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.79 1j2o s LEU 4 Cb -0.11 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.27 1j2o s LEU 4 CO 0.55 -0.35 -0.05 0.42 0.23 0.00 0.00 176.35 177.14 1j2o s THR 5 N -2.32 0.53 0.14 5.49 -4.23 -1.26 0.21 115.64 114.20 1j2o s THR 5 Ca 0.49 -0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.70 1j2o s THR 5 Cb -0.10 -0.50 -0.06 0.00 1.34 0.00 0.00 72.50 73.17 1j2o s THR 5 CO 0.32 0.19 0.47 0.00 -0.54 0.00 0.00 174.62 175.05 1j2o n GLY 7 N 0.53 0.12 0.12 0.00 0.00 -0.88 -1.46 105.19 103.62 1j2o n GLY 7 Ca -0.05 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 4.84 0.18 0.00 -0.02 0.00 -1.88 -3.42 103.07 102.77 1j2o h GLY 8 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1j2o h GLY 8 CO 0.00 0.41 -1.39 0.00 0.00 0.00 0.00 176.54 175.56 1j2o n GLN 10 N -2.34 -0.84 -0.55 0.00 1.13 -0.53 -4.90 117.38 109.35 1j2o n GLN 10 Ca -0.10 0.71 0.06 0.00 -1.94 0.00 0.00 57.00 55.73 1j2o n GLN 10 Cb 0.67 -4.76 0.29 0.00 0.11 0.00 0.00 30.24 26.54 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 -2.36 3.42 -0.72 -1.09 10.64 -1.26 -4.86 117.38 121.14 1j2o n GLN 11 Ca -0.12 -2.25 0.00 0.00 -1.83 0.00 0.00 57.00 52.80 1j2o n GLN 11 Cb 0.49 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.99 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 0.67 -4.63 -4.33 2.61 2.85 -1.26 -4.86 115.26 106.31 1j2o n ASN 12 Ca 0.20 0.55 -0.46 0.00 -0.11 0.00 0.00 54.58 54.76 1j2o n ASN 12 Cb 0.81 -1.52 -0.04 0.00 1.24 0.00 0.00 39.78 40.27 1j2o n ASN 12 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1j2o s ILE 13 N -2.14 5.21 -0.37 -1.44 1.01 0.13 -4.76 121.20 118.84 1j2o s ILE 13 Ca 0.00 -1.61 0.13 0.00 0.00 0.00 0.00 60.65 59.17 1j2o s ILE 13 Cb 0.00 -4.41 0.37 0.00 0.01 0.00 0.00 42.46 38.43 1j2o s ILE 13 CO 0.00 -0.97 1.28 0.61 0.00 0.00 0.00 174.94 175.86 1j2o n GLY 14 N 4.99 3.69 3.69 6.18 0.00 -1.26 -4.07 105.19 118.40 1j2o n GLY 14 Ca -0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.71 2.24 0.15 1.61 1.11 -1.26 -4.97 116.67 113.84 1j2o s ASP 15 Ca 0.30 0.85 -0.10 0.00 0.18 0.00 0.00 52.55 53.79 1j2o s ASP 15 Cb 0.23 -1.30 -0.02 0.00 1.07 0.00 0.00 42.92 42.90 1j2o s ASP 15 CO 0.09 -3.33 1.47 0.08 1.18 0.00 0.00 175.17 174.66 1j2o h ARG 16 N -2.04 0.86 -4.76 8.23 -0.00 -1.90 -3.39 114.38 111.39 1j2o h ARG 16 Ca -0.50 -0.49 -0.30 0.00 -0.00 0.00 0.00 59.98 58.69 1j2o h ARG 16 Cb 1.31 0.03 -0.21 0.00 -0.00 0.00 0.00 29.97 31.11 1j2o h ARG 16 CO 0.49 1.13 -0.74 -0.47 -0.00 0.00 0.00 179.97 180.37 1j2o s TYR 17 N -4.27 0.82 0.32 4.08 5.04 -1.26 -2.35 117.35 119.72 1j2o s TYR 17 Ca -0.10 -0.52 -0.04 0.00 -2.44 0.00 0.00 57.07 53.97 1j2o s TYR 17 Cb 0.11 -0.48 0.02 0.00 0.35 0.00 0.00 41.96 41.96 1j2o s TYR 17 CO 0.88 -0.05 0.48 1.97 -1.34 0.00 0.00 175.55 177.48 1j2o n PHE 18 N 1.31 -1.49 -4.14 4.97 -1.74 -0.15 -4.82 117.46 111.40 1j2o n PHE 18 Ca -0.22 -2.00 -0.14 0.00 -0.56 0.00 0.00 57.45 54.53 1j2o n PHE 18 Cb 0.55 0.55 -0.11 0.00 1.52 0.00 0.00 39.48 41.98 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 2.33 0.22 5.98 1.43 -1.12 -1.43 118.68 126.09 1j2o s LEU 19 Ca 0.24 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1j2o s LEU 19 Cb -0.01 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 1j2o s LEU 19 CO 0.17 -0.22 0.27 -0.54 0.23 0.00 0.00 176.35 176.26 1j2o s LYS 20 N -2.23 1.35 0.00 1.70 3.01 -1.12 0.72 119.74 123.17 1j2o s LYS 20 Ca -0.01 -1.49 0.00 0.00 -1.01 0.00 0.00 55.97 53.46 1j2o s LYS 20 Cb -0.06 0.35 0.00 0.00 -1.01 0.00 0.00 37.83 37.11 1j2o s LYS 20 CO 0.00 -0.50 0.00 0.00 0.51 0.00 0.00 175.35 175.37 1j2o n ALA 21 N -0.32 0.00 -0.38 5.17 0.00 -1.19 -0.49 120.51 123.30 1j2o n ALA 21 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1j2o n ALA 21 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.53 -0.55 0.00 0.00 5.41 -1.26 -4.65 119.36 117.78 1j2o n ILE 22 Ca 0.00 2.30 0.00 0.00 1.00 0.00 0.00 62.75 66.05 1j2o n ILE 22 Cb 0.00 -2.98 0.00 0.00 -0.71 0.00 0.00 39.64 35.95 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 -5.38 0.00 -2.21 4.38 2.03 -1.26 -5.14 116.55 108.97 1j2o n ASP 23 Ca 0.08 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.36 1j2o n ASP 23 Cb 0.35 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 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 1.83 -4.10 -0.67 0.00 -1.26 -5.15 117.38 108.03 1j2o n GLN 24 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 57.00 56.42 1j2o n GLN 24 Cb 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 30.24 30.28 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 -1.19 3.12 0.04 2.61 2.02 -1.25 -3.16 117.35 119.54 1j2o s TYR 25 Ca 0.00 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1j2o s TYR 25 Cb 0.00 -1.47 -0.00 0.00 -0.40 0.00 0.00 41.96 40.09 1j2o s TYR 25 CO 0.00 0.52 0.04 0.91 -1.57 0.00 0.00 175.55 175.45 1j2o n TRP 26 N -0.59 -0.17 -4.26 2.71 7.02 0.22 -2.06 117.44 120.31 1j2o n TRP 26 Ca -0.08 -0.35 -0.25 0.00 -1.02 0.00 0.00 57.50 55.80 1j2o n TRP 26 Cb 0.56 0.04 -0.08 0.00 -2.42 0.00 0.00 31.31 29.41 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 -2.55 2.59 0.00 -5.99 3.76 -1.26 -2.79 115.29 109.04 1j2o s HIS 27 Ca 0.05 -0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 54.19 1j2o s HIS 27 Cb 0.00 -1.73 -0.19 0.00 1.11 0.00 0.00 32.58 31.78 1j2o s HIS 27 CO 0.03 0.34 1.36 0.93 -0.85 0.00 0.00 174.74 176.55 1j2o h GLU 28 N 1.62 0.03 -0.20 1.40 5.08 -1.90 -2.85 114.58 117.76 1j2o h GLU 28 Ca -0.43 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1j2o h GLU 28 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1j2o h GLU 28 CO 0.69 0.42 0.00 -3.47 -1.00 0.00 0.00 179.01 175.65 1j2o n ASP 29 N -4.88 1.77 -0.14 1.42 2.03 -1.26 -4.14 116.55 111.37 1j2o n ASP 29 Ca -0.08 -1.76 -0.28 0.00 0.52 0.00 0.00 54.79 53.19 1j2o n ASP 29 Cb 0.22 -0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.39 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o s LEU 31 N -7.41 3.15 0.34 0.00 2.96 -1.08 -4.84 118.68 111.80 1j2o s LEU 31 Ca -0.38 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1j2o s LEU 31 Cb 0.14 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1j2o s LEU 31 CO 0.51 -3.02 0.11 -0.44 -1.32 0.00 0.00 176.35 172.19 1j2o s SER 32 N 9.68 2.14 0.86 3.68 0.01 -1.26 -4.58 113.70 124.23 1j2o s SER 32 Ca 0.81 -1.53 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 1j2o s SER 32 Cb -0.12 0.27 0.11 0.00 0.21 0.00 0.00 66.02 66.50 1j2o s SER 32 CO 0.12 -0.81 1.14 0.00 0.41 0.00 0.00 173.24 174.10 1j2o h ASP 34 N -1.30 -0.86 0.00 0.00 3.58 -1.77 -3.23 116.42 112.84 1j2o h ASP 34 Ca -0.49 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1j2o h ASP 34 Cb 1.32 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.59 1j2o h ASP 34 CO 0.62 -0.53 -0.35 0.25 -2.88 0.00 0.00 179.24 176.35 1j2o h LEU 35 N -1.17 0.00 -0.02 2.28 5.85 -1.92 -3.41 115.31 116.92 1j2o h LEU 35 Ca -0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1j2o h LEU 35 Cb 0.80 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1j2o h LEU 35 CO 0.17 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 1j2o n GLY 37 N -0.41 -0.13 0.00 0.00 0.00 -1.22 -4.98 105.19 98.45 1j2o n GLY 37 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.91 0.00 -4.87 0.00 5.12 -1.26 -4.79 116.66 109.95 1j2o n ARG 39 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1j2o n ARG 39 Cb 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 1j2o n ARG 39 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1j2o s LEU 40 N 0.00 2.23 -0.57 0.55 1.43 -1.26 -4.39 118.68 116.67 1j2o s LEU 40 Ca 0.00 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1j2o s LEU 40 Cb 0.00 -1.32 0.31 0.00 0.03 0.00 0.00 46.19 45.21 1j2o s LEU 40 CO 0.00 0.26 2.13 0.61 0.23 0.00 0.00 176.35 179.58 1j2o n GLY 41 N 1.73 5.10 3.70 -3.19 0.00 -0.38 -4.97 105.19 107.17 1j2o n GLY 41 Ca -0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1j2o n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j2o s GLU 42 N -2.99 4.38 0.00 1.61 4.04 -1.18 -3.44 118.70 121.12 1j2o s GLU 42 Ca 0.52 1.72 0.00 0.00 0.04 0.00 0.00 54.97 57.25 1j2o s GLU 42 Cb 0.40 -3.49 0.00 0.00 0.02 0.00 0.00 34.13 31.07 1j2o s GLU 42 CO -0.10 -0.38 0.16 1.33 -1.84 0.00 0.00 175.26 174.43 1j2o n VAL 43 N 4.37 0.00 0.00 1.83 0.24 -1.26 -4.83 118.33 118.67 1j2o n VAL 43 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1j2o n VAL 43 Cb 0.46 1.30 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 1j2o n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j2o n GLY 44 N 0.00 -0.28 0.00 7.63 0.00 -1.26 -5.11 105.19 106.17 1j2o n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -3.80 1.61 0.63 -1.26 -5.08 116.66 108.76 1j2o n ARG 45 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1j2o n ARG 45 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1j2o n ARG 45 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1j2o s ARG 46 N 0.86 0.75 -0.38 -0.14 1.70 -1.26 -4.91 118.95 115.56 1j2o s ARG 46 Ca 0.00 -0.58 -0.28 0.00 -0.47 0.00 0.00 55.73 54.40 1j2o s ARG 46 Cb 0.00 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1j2o s ARG 46 CO 0.00 -0.23 1.73 -1.17 -1.08 0.00 0.00 175.30 174.55 1j2o s LEU 47 N -2.09 3.49 -0.31 -1.89 2.96 -1.26 -1.65 118.68 117.93 1j2o s LEU 47 Ca -0.05 1.08 -0.29 0.00 -0.22 0.00 0.00 54.13 54.65 1j2o s LEU 47 Cb -0.01 -3.38 0.01 0.00 0.50 0.00 0.00 46.19 43.31 1j2o s LEU 47 CO -0.04 -1.74 1.17 -0.31 -1.32 0.00 0.00 176.35 174.11 1j2o s TYR 48 N 6.88 2.95 0.20 5.38 1.51 -0.88 -4.94 117.35 128.45 1j2o s TYR 48 Ca 0.74 1.04 -0.23 0.00 -1.01 0.00 0.00 57.07 57.62 1j2o s TYR 48 Cb -0.19 -3.80 0.05 0.00 -0.11 0.00 0.00 41.96 37.91 1j2o s TYR 48 CO 0.32 -1.19 0.72 1.52 -1.11 0.00 0.00 175.55 175.80 1j2o s TYR 49 N 3.95 -0.32 0.35 2.71 1.13 -1.26 -4.37 117.35 119.54 1j2o s TYR 49 Ca 0.50 -0.00 0.06 0.00 -1.41 0.00 0.00 57.07 56.22 1j2o s TYR 49 Cb -0.14 0.63 -0.01 0.00 -1.10 0.00 0.00 41.96 41.34 1j2o s TYR 49 CO 0.19 -0.99 0.50 0.15 -2.51 0.00 0.00 175.55 172.88 1j2o s LYS 50 N -3.72 3.11 0.16 -3.49 1.02 0.10 -4.95 119.74 111.98 1j2o s LYS 50 Ca 0.07 -0.94 -0.02 0.00 0.02 0.00 0.00 55.97 55.10 1j2o s LYS 50 Cb -0.03 -2.79 0.33 0.00 -0.52 0.00 0.00 37.83 34.82 1j2o s LYS 50 CO -0.02 0.02 0.88 1.47 -0.92 0.00 0.00 175.35 176.77 1j2o n LEU 51 N -1.70 -0.15 -1.13 3.17 -0.00 -1.26 -1.84 117.00 114.09 1j2o n LEU 51 Ca 0.00 0.96 0.02 0.00 -0.00 0.00 0.00 56.01 56.99 1j2o n LEU 51 Cb 0.58 -0.31 0.01 0.00 -0.00 0.00 0.00 43.42 43.69 1j2o n LEU 51 CO 0.43 -0.94 0.14 0.61 -0.00 0.00 0.00 177.39 177.62 1j2o n GLY 52 N -1.32 0.82 2.85 1.47 0.00 -1.26 -5.07 105.19 102.68 1j2o n GLY 52 Ca 0.11 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 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 0.51 -0.67 1.61 0.52 -0.77 -5.10 118.95 115.06 1j2o s ARG 53 Ca 0.21 -0.01 -0.21 0.00 -0.52 0.00 0.00 55.73 55.20 1j2o s ARG 53 Cb 0.24 -0.61 0.08 0.00 0.52 0.00 0.00 34.95 35.18 1j2o s ARG 53 CO -0.10 -0.10 0.91 -1.59 0.02 0.00 0.00 175.30 174.44 1j2o s LYS 54 N 0.92 3.13 0.25 3.54 -2.85 -1.26 0.00 119.74 123.47 1j2o s LYS 54 Ca -0.10 -1.04 0.02 0.00 -1.00 0.00 0.00 55.97 53.84 1j2o s LYS 54 Cb -0.14 -4.30 -0.04 0.00 -2.06 0.00 0.00 37.83 31.30 1j2o s LYS 54 CO -0.01 -1.74 0.18 -0.48 0.10 0.00 0.00 175.35 173.40 1j2o s LEU 55 N 3.58 1.36 0.00 2.77 2.34 -1.26 -2.27 118.68 125.20 1j2o s LEU 55 Ca 0.20 -1.52 -0.04 0.00 0.06 0.00 0.00 54.13 52.84 1j2o s LEU 55 Cb -0.18 0.44 0.08 0.00 -0.56 0.00 0.00 46.19 45.97 1j2o s LEU 55 CO 0.07 -0.92 0.50 0.00 -1.06 0.00 0.00 176.35 174.94 1j2o n ARG 57 N -1.99 0.21 -0.07 0.00 0.00 -1.26 -3.17 116.66 110.38 1j2o n ARG 57 Ca 0.07 0.03 -0.13 0.00 -0.00 0.00 0.00 57.85 57.82 1j2o n ARG 57 Cb 0.25 -1.60 -0.11 0.00 0.00 0.00 0.00 32.46 31.00 1j2o n ARG 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j2o h ARG 58 N 0.00 0.00 0.00 -0.14 -0.00 -1.85 -2.76 114.38 109.63 1j2o h ARG 58 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1j2o h ARG 58 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.64 1j2o h ARG 58 CO 0.00 0.83 -0.10 -0.40 0.00 0.00 0.00 179.97 180.30 1j2o n ASP 59 N -4.60 0.16 0.07 7.04 5.68 -1.25 -0.72 116.55 122.94 1j2o n ASP 59 Ca -0.12 0.37 -0.07 0.00 -0.50 0.00 0.00 54.79 54.47 1j2o n ASP 59 Cb 0.44 -0.38 0.08 0.00 -1.14 0.00 0.00 41.12 40.12 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 0.39 0.01 2.11 5.03 -1.65 -3.33 116.97 119.52 1j2o h TYR 60 Ca 0.00 -0.16 -0.00 0.00 2.58 0.00 0.00 58.73 61.15 1j2o h TYR 60 Cb 0.52 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1j2o h TYR 60 CO 0.00 0.86 -0.00 1.25 -1.32 0.00 0.00 178.16 178.95 1j2o h LEU 61 N 0.21 -0.01 0.00 2.82 5.85 -1.04 -3.50 115.31 119.65 1j2o h LEU 61 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1j2o h LEU 61 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1j2o h LEU 61 CO 0.11 0.01 0.00 0.54 -0.34 0.00 0.00 178.44 178.76 1j2o n ARG 62 N -2.11 0.00 0.00 1.25 1.74 0.10 -4.71 116.66 112.93 1j2o n ARG 62 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j2o n ARG 62 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1j2o n ARG 62 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1j2o n LEU 63 N -1.09 1.26 0.14 0.55 -0.00 -1.17 -4.36 117.00 112.33 1j2o n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1j2o n LEU 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1j2o n LEU 63 CO 0.00 0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 1j2o n GLY 64 N 2.79 -0.36 2.78 1.47 0.00 -1.14 -3.76 105.19 106.97 1j2o n GLY 64 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 1.42 1.79 2.99 -0.02 0.00 -1.26 -3.98 105.19 106.13 1j2o n GLY 65 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.74 -0.47 0.00 1.61 7.64 -1.26 -1.84 113.62 118.56 1j2o n SER 66 Ca 0.02 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1j2o n SER 66 Cb 0.82 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.02 0.05 0.03 0.23 0.00 -1.24 -4.71 105.19 98.52 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 3.30 0.27 3.95 -0.02 0.00 -1.26 -4.89 105.19 106.54 1j2o n GLY 68 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1j2o n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j2o s HIS 69 N -2.02 3.48 0.01 1.61 3.76 -1.26 -5.03 115.29 115.84 1j2o s HIS 69 Ca 0.00 0.22 -0.25 0.00 -0.15 0.00 0.00 55.06 54.88 1j2o s HIS 69 Cb 0.00 -1.78 -0.18 0.00 1.11 0.00 0.00 32.58 31.73 1j2o s HIS 69 CO 0.00 0.23 1.34 0.52 -0.85 0.00 0.00 174.74 175.98 1j2o h MET 70 N 0.91 -0.14 -5.72 1.40 2.86 -2.04 -3.39 114.93 108.81 1j2o h MET 70 Ca -0.50 0.01 -0.61 0.00 -2.06 0.00 0.00 59.70 56.53 1j2o h MET 70 Cb 1.22 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 32.79 1j2o h MET 70 CO 0.61 0.20 0.59 0.20 1.06 0.00 0.00 176.91 179.58 1j2o s GLY 71 N -2.84 1.35 0.00 8.32 0.00 -1.26 -5.02 107.32 107.87 1j2o s GLY 71 Ca -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.07 1j2o s GLY 71 CO 0.62 2.10 0.00 1.44 0.00 0.00 0.00 173.10 177.26 1j2o n SER 72 N 7.71 0.00 0.00 1.64 7.64 -1.26 -4.71 113.62 124.64 1j2o n SER 72 Ca -0.01 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1j2o n SER 72 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 5.00 1.47 6.94 0.23 0.00 -0.22 -4.82 105.19 113.79 1j2o n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.88 0.07 3.30 -0.02 0.00 -0.75 -4.55 105.19 106.10 1j2o n GLY 74 Ca 0.00 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 1j2o n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j2o s ASP 75 N -4.00 6.29 0.39 1.61 -4.77 -1.26 -4.82 116.67 110.11 1j2o s ASP 75 Ca 0.00 -2.18 0.03 0.00 -3.30 0.00 0.00 52.55 47.10 1j2o s ASP 75 Cb 0.00 -2.17 -0.04 0.00 -1.09 0.00 0.00 42.92 39.62 1j2o s ASP 75 CO 0.00 -0.71 0.09 -0.69 0.70 0.00 0.00 175.17 174.56 1j2o s VAL 76 N 0.97 0.86 0.27 2.11 1.01 -1.26 -5.11 120.40 119.25 1j2o s VAL 76 Ca 0.09 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.77 1j2o s VAL 76 Cb -0.22 -2.49 -0.13 0.00 0.00 0.00 0.00 36.38 33.54 1j2o s VAL 76 CO -0.02 0.00 1.44 0.23 0.00 0.00 0.00 175.10 176.75 1j2o n MET 77 N -0.86 2.23 -3.65 2.72 2.81 -1.26 -5.00 117.12 114.12 1j2o n MET 77 Ca -0.06 0.79 -0.15 0.00 -1.81 0.00 0.00 57.70 56.47 1j2o n MET 77 Cb 0.66 -2.47 -0.08 0.00 -0.71 0.00 0.00 33.22 30.62 1j2o n MET 77 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1j2o s VAL 78 N -0.18 0.01 0.20 2.03 0.11 -1.26 -5.06 120.40 116.25 1j2o s VAL 78 Ca 0.65 -0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.48 1j2o s VAL 78 Cb -0.60 -0.82 0.13 0.00 -1.53 0.00 0.00 36.38 33.57 1j2o s VAL 78 CO 0.51 -0.06 1.85 0.58 -3.33 0.00 0.00 175.10 174.64 1j2o h VAL 79 N 3.73 1.20 0.00 2.04 2.07 -2.01 -3.47 116.25 119.81 1j2o h VAL 79 Ca -0.28 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1j2o h VAL 79 Cb 1.16 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1j2o h VAL 79 CO 0.29 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1j2o n GLY 80 N -1.19 0.15 3.68 2.17 0.00 -1.26 -5.10 105.19 103.64 1j2o n GLY 80 Ca 0.06 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 0.92 4.21 0.43 1.61 0.41 -1.26 -4.96 118.70 120.06 1j2o s GLU 81 Ca 0.00 2.24 -0.24 0.00 -0.41 0.00 0.00 54.97 56.56 1j2o s GLU 81 Cb 0.00 -3.68 -0.08 0.00 -1.78 0.00 0.00 34.13 28.59 1j2o s GLU 81 CO 0.00 -0.73 1.19 -2.14 -0.49 0.00 0.00 175.26 173.08 1j2o s PRO 82 N 2.92 3.89 -0.30 0.39 0.02 -1.26 -5.03 135.00 135.63 1j2o s PRO 82 Ca 0.72 1.86 -0.13 0.00 0.02 0.00 0.00 61.00 63.47 1j2o s PRO 82 Cb -0.37 -2.56 0.16 0.00 0.02 0.00 0.00 34.50 31.75 1j2o s PRO 82 CO 0.31 -0.46 0.91 0.99 -0.33 0.00 0.00 177.00 178.42 1j2o s THR 83 N -1.45 -0.60 0.12 0.99 2.01 -1.26 -5.09 115.64 110.36 1j2o s THR 83 Ca 0.60 0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.71 1j2o s THR 83 Cb -0.31 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1j2o s THR 83 CO 0.38 0.00 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.29 1j2o s LEU 84 N 2.58 2.30 0.00 4.42 1.43 -1.26 -5.02 118.68 123.13 1j2o s LEU 84 Ca -0.02 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 1j2o s LEU 84 Cb -0.08 -1.20 0.08 0.00 0.03 0.00 0.00 46.19 45.02 1j2o s LEU 84 CO -0.18 0.18 0.81 0.80 0.23 0.00 0.00 176.35 178.20 1j2o n MET 85 N 1.02 0.47 0.00 1.70 1.56 -1.26 -4.88 117.12 115.72 1j2o n MET 85 Ca -0.18 -1.10 0.00 0.00 -0.27 0.00 0.00 57.70 56.15 1j2o n MET 85 Cb 0.53 -1.16 0.00 0.00 2.15 0.00 0.00 33.22 34.74 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 0.44 1.19 2.48 -5.12 0.00 -1.26 -4.99 105.19 97.92 1j2o n GLY 86 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 3.95 3.32 0.75 -0.02 0.00 -1.26 -3.69 105.19 108.24 1j2o n GLY 87 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.59 0.00 0.00 1.61 4.71 -0.77 -1.06 120.64 124.55 1j2o n GLU 88 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1j2o n GLU 88 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.89 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 -0.05 0.00 -3.27 -0.32 3.72 -1.26 -1.82 117.46 114.46 1j2o n PHE 89 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1j2o n PHE 89 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1j2o n PHE 89 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1j2o s GLY 90 N -0.46 -0.71 0.00 1.37 0.00 -1.26 -2.23 107.32 104.03 1j2o s GLY 90 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1j2o s GLY 90 CO 0.00 3.19 0.00 2.09 0.00 0.00 0.00 173.10 178.38 1j2o n ASP 91 N 5.20 0.00 -1.67 1.64 5.68 -1.26 -5.13 116.55 121.01 1j2o n ASP 91 Ca 0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1j2o n ASP 91 Cb 0.50 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1j2o n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j2o n GLU 92 N -0.73 -2.45 -0.20 0.11 4.71 -1.26 -4.71 120.64 116.10 1j2o n GLU 92 Ca 0.00 2.05 0.00 0.00 -0.01 0.00 0.00 57.16 59.20 1j2o n GLU 92 Cb 0.00 -2.55 0.00 0.00 -1.01 0.00 0.00 31.44 27.88 1j2o n GLU 92 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1j2o n ASP 93 N 0.87 2.47 -4.71 1.62 2.03 -1.26 -4.90 116.55 112.66 1j2o n ASP 93 Ca -0.02 -1.57 -0.34 0.00 0.52 0.00 0.00 54.79 53.38 1j2o n ASP 93 Cb 0.03 -0.51 0.10 0.00 -0.72 0.00 0.00 41.12 40.02 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1j2o s GLU 94 N 0.90 1.99 0.00 -0.67 0.41 -1.22 -1.25 118.70 118.85 1j2o s GLU 94 Ca 0.00 1.81 0.00 0.00 -0.41 0.00 0.00 54.97 56.37 1j2o s GLU 94 Cb 0.00 -1.81 0.00 0.00 -1.78 0.00 0.00 34.13 30.54 1j2o s GLU 94 CO 0.00 -1.96 0.00 -2.13 -0.49 0.00 0.00 175.26 170.68 1j2o n ARG 95 N -2.84 0.00 -3.93 1.61 0.63 -0.66 -2.07 116.66 109.41 1j2o n ARG 95 Ca 0.14 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.98 1j2o n ARG 95 Cb 0.50 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.32 1j2o n ARG 95 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1j2o s LEU 96 N 0.00 1.81 -0.29 6.15 2.34 -1.26 -4.22 118.68 123.21 1j2o s LEU 96 Ca 0.00 -0.55 -0.14 0.00 0.06 0.00 0.00 54.13 53.50 1j2o s LEU 96 Cb 0.00 0.61 0.11 0.00 -0.56 0.00 0.00 46.19 46.35 1j2o s LEU 96 CO 0.00 -0.52 0.72 0.27 -1.06 0.00 0.00 176.35 175.76 1j2o s ILE 97 N -2.69 -0.35 -0.41 1.48 -4.36 -1.26 -4.70 121.20 108.90 1j2o s ILE 97 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 60.65 60.11 1j2o s ILE 97 Cb -0.01 -1.00 0.02 0.00 1.25 0.00 0.00 42.46 42.72 1j2o s ILE 97 CO -0.05 0.00 0.85 0.42 0.24 0.00 0.00 174.94 176.40 1j2o s THR 98 N 2.06 4.62 -0.76 8.37 -4.23 0.36 -4.89 115.64 121.16 1j2o s THR 98 Ca -0.08 0.79 -0.26 0.00 -1.18 0.00 0.00 61.69 60.96 1j2o s THR 98 Cb -0.07 -4.32 0.02 0.00 1.34 0.00 0.00 72.50 69.47 1j2o s THR 98 CO -0.19 -0.63 1.48 -0.13 -0.54 0.00 0.00 174.62 174.61 1j2o s ARG 99 N 3.39 3.09 0.39 3.99 1.81 -1.26 -2.78 118.95 127.57 1j2o s ARG 99 Ca 0.34 -0.19 0.08 0.00 -1.72 0.00 0.00 55.73 54.23 1j2o s ARG 99 Cb -0.12 -4.46 -0.05 0.00 -0.45 0.00 0.00 34.95 29.87 1j2o s ARG 99 CO 0.21 -2.37 0.18 -1.17 -0.68 0.00 0.00 175.30 171.47 1j2o s LEU 100 N 6.64 3.16 -0.09 2.53 2.96 -0.52 -4.98 118.68 128.39 1j2o s LEU 100 Ca 0.46 -0.98 -0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1j2o s LEU 100 Cb -0.08 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1j2o s LEU 100 CO 0.11 -0.48 -0.07 -1.83 -1.32 0.00 0.00 176.35 172.77 1j2o s GLU 101 N -3.90 2.95 -0.04 1.98 -1.05 -1.26 -0.98 118.70 116.40 1j2o s GLU 101 Ca 0.41 -0.55 -0.22 0.00 -0.15 0.00 0.00 54.97 54.46 1j2o s GLU 101 Cb 0.02 -2.65 -0.16 0.00 -0.44 0.00 0.00 34.13 30.90 1j2o s GLU 101 CO 0.23 0.56 0.94 -0.97 0.95 0.00 0.00 175.26 176.96 1j2o h ASN 102 N 5.60 -0.22 0.00 0.83 -1.24 -1.67 -3.47 115.58 115.42 1j2o h ASN 102 Ca -0.44 -0.31 0.00 0.00 0.71 0.00 0.00 56.30 56.26 1j2o h ASN 102 Cb 1.18 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.28 1j2o h ASN 102 CO 0.54 0.30 0.00 0.41 -1.29 0.00 0.00 177.43 177.39 1j2o n THR 103 N -4.96 0.00 0.05 -3.57 -1.04 -1.26 -5.08 114.28 98.41 1j2o n THR 103 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1j2o n THR 103 Cb 0.26 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1j2o n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j2o n GLN 104 N -0.36 0.00 0.00 -2.82 -0.00 -1.26 -5.15 117.38 107.79 1j2o n GLN 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1j2o n GLN 104 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 30.24 30.02 1j2o n GLN 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1j2o n PHE 105 N -3.14 0.00 0.00 2.61 7.35 -1.26 -4.94 117.46 118.07 1j2o n PHE 105 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1j2o n PHE 105 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 0.00 0.00 0.00 -2.13 2.03 -1.26 -4.36 116.55 110.83 1j2o n ASP 106 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1j2o n ASP 106 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.21 2.16 -0.32 -1.67 0.00 -1.26 -5.07 120.51 113.13 1j2o n ALA 107 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j2o n ALA 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.27 0.00 0.04 0.00 0.00 -1.26 -4.98 120.51 113.04 1j2o n ALA 108 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1j2o n ALA 108 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1j2o n ALA 108 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1j2o h ASN 109 N 0.00 0.00 0.00 0.00 -1.24 -1.94 -3.50 115.58 108.89 1j2o h ASN 109 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1j2o h ASN 109 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1j2o h ASN 109 CO 0.00 0.99 0.00 0.61 -1.29 0.00 0.00 177.43 177.74 1j2o n GLY 110 N 1.40 0.62 0.44 1.57 0.00 -1.26 -4.67 105.19 103.29 1j2o n GLY 110 Ca -0.04 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 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 0.17 -1.78 -0.61 2.04 -1.99 -2.99 117.51 112.35 1j2o h ILE 111 Ca 0.00 0.00 -0.77 0.00 1.00 0.00 0.00 64.86 65.09 1j2o h ILE 111 Cb 0.00 0.17 -0.19 0.00 -0.74 0.00 0.00 36.82 36.06 1j2o h ILE 111 CO 0.00 0.00 1.72 -0.67 0.00 0.00 0.00 178.15 179.20 1j2o n ASP 112 N -5.55 6.32 -4.86 1.72 2.03 -1.26 -4.99 116.55 109.96 1j2o n ASP 112 Ca -0.14 -3.25 -0.30 0.00 0.52 0.00 0.00 54.79 51.62 1j2o n ASP 112 Cb 0.43 -1.37 0.07 0.00 -0.72 0.00 0.00 41.12 39.54 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j2o s ASP 113 N -0.13 4.92 0.00 1.67 -1.08 -1.13 -4.81 116.67 116.12 1j2o s ASP 113 Ca 0.41 1.12 0.14 0.00 -0.52 0.00 0.00 52.55 53.69 1j2o s ASP 113 Cb 0.12 -1.83 0.11 0.00 -1.46 0.00 0.00 42.92 39.85 1j2o s ASP 113 CO -0.01 -1.67 0.94 -0.62 0.52 0.00 0.00 175.17 174.33