#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oa4 s MET 2 N 0.00 0.41 -0.97 0.03 1.75 -1.26 -5.09 119.30 114.17 2oa4 s MET 2 Ca 0.00 0.96 -0.15 0.00 -1.25 0.00 0.00 55.69 55.25 2oa4 s MET 2 Cb 0.00 0.23 0.19 0.00 2.84 0.00 0.00 34.83 38.08 2oa4 s MET 2 CO 0.00 -0.41 1.07 -0.06 -0.65 0.00 0.00 175.02 174.96 2oa4 s PHE 3 N 2.68 3.54 -0.18 4.11 0.08 -1.26 -4.73 117.98 122.23 2oa4 s PHE 3 Ca 0.05 -1.88 -0.09 0.00 0.12 0.00 0.00 56.93 55.14 2oa4 s PHE 3 Cb -0.13 -4.08 -0.08 0.00 -0.57 0.00 0.00 43.02 38.15 2oa4 s PHE 3 CO -0.16 -1.24 -0.23 -0.11 -0.10 0.00 0.00 175.22 173.38 2oa4 n LEU 4 N 5.07 1.33 -0.09 -0.37 7.94 -1.26 -4.38 117.00 125.24 2oa4 n LEU 4 Ca 0.23 0.20 0.15 0.00 -1.11 0.00 0.00 56.01 55.49 2oa4 n LEU 4 Cb 0.46 -0.53 0.85 0.00 0.53 0.00 0.00 43.42 44.73 2oa4 n LEU 4 CO 0.46 0.39 1.05 0.54 -1.11 0.00 0.00 177.39 178.73 2oa4 n ARG 5 N -3.77 1.12 -3.15 1.96 1.74 -1.26 -4.48 116.66 108.82 2oa4 n ARG 5 Ca -0.35 -0.17 0.04 0.00 -0.77 0.00 0.00 57.85 56.60 2oa4 n ARG 5 Cb 0.75 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.70 2oa4 n ARG 5 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2oa4 s LYS 6 N -2.00 0.49 -0.31 5.56 2.20 -1.26 -5.04 119.74 119.37 2oa4 s LYS 6 Ca 0.45 0.67 0.07 0.00 -0.36 0.00 0.00 55.97 56.80 2oa4 s LYS 6 Cb 0.21 0.35 0.46 0.00 -1.51 0.00 0.00 37.83 37.34 2oa4 s LYS 6 CO 0.35 -0.72 1.29 1.55 -0.36 0.00 0.00 175.35 177.46 2oa4 n VAL 7 N 5.40 2.58 1.77 4.02 3.14 -1.26 -4.65 118.33 129.33 2oa4 n VAL 7 Ca 0.02 -3.87 0.08 0.00 -2.96 0.00 0.00 64.34 57.61 2oa4 n VAL 7 Cb 0.53 -0.95 0.42 0.00 -1.06 0.00 0.00 33.84 32.78 2oa4 n VAL 7 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2oa4 n GLU 8 N -0.82 1.21 -0.03 1.45 -0.58 -1.26 -4.15 120.64 116.46 2oa4 n GLU 8 Ca 0.41 -0.32 -0.04 0.00 -0.42 0.00 0.00 57.16 56.79 2oa4 n GLU 8 Cb 0.91 -1.28 -0.01 0.00 -0.57 0.00 0.00 31.44 30.49 2oa4 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2oa4 n GLY 9 N 0.84 -0.33 3.73 0.62 0.00 -1.26 -5.02 105.19 103.78 2oa4 n GLY 9 Ca 0.13 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2oa4 n GLY 9 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2oa4 s PRO 10 N -2.27 4.50 -1.03 1.61 0.02 -1.26 -4.98 135.00 131.58 2oa4 s PRO 10 Ca -0.14 1.79 -0.06 0.00 0.02 0.00 0.00 61.00 62.61 2oa4 s PRO 10 Cb 0.02 -3.29 0.27 0.00 0.02 0.00 0.00 34.50 31.51 2oa4 s PRO 10 CO 0.21 -0.11 1.07 0.54 -0.33 0.00 0.00 177.00 178.39 2oa4 n ARG 11 N 3.04 3.41 -3.47 5.54 3.00 -1.26 -4.99 116.66 121.93 2oa4 n ARG 11 Ca 0.06 -4.49 -0.12 0.00 -0.01 0.00 0.00 57.85 53.28 2oa4 n ARG 11 Cb 0.46 -2.49 -0.03 0.00 0.00 0.00 0.00 32.46 30.39 2oa4 n ARG 11 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2oa4 s SER 12 N 0.23 -0.53 -0.23 0.55 1.04 -1.26 -4.69 113.70 108.80 2oa4 s SER 12 Ca 0.30 0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 2oa4 s SER 12 Cb -0.06 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2oa4 s SER 12 CO -0.06 -0.77 -0.05 0.68 0.98 0.00 0.00 173.24 174.02 2oa4 s VAL 13 N -2.88 3.23 -0.31 5.02 -7.23 0.31 -4.85 120.40 113.69 2oa4 s VAL 13 Ca -0.01 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 2oa4 s VAL 13 Cb -0.01 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2oa4 s VAL 13 CO -0.06 0.36 1.19 -0.89 -0.31 0.00 0.00 175.10 175.39 2oa4 s THR 14 N 1.44 4.31 0.69 5.32 2.01 -1.25 -0.09 115.64 128.06 2oa4 s THR 14 Ca 0.04 1.49 -0.15 0.00 0.31 0.00 0.00 61.69 63.39 2oa4 s THR 14 Cb -0.15 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.08 2oa4 s THR 14 CO -0.04 -0.50 1.15 -0.76 -0.69 0.00 0.00 174.62 173.79 2oa4 s LEU 15 N 4.02 3.37 0.53 4.42 1.43 -0.23 -4.87 118.68 127.35 2oa4 s LEU 15 Ca 0.51 2.17 0.37 0.00 -1.03 0.00 0.00 54.13 56.15 2oa4 s LEU 15 Cb -0.14 -4.57 1.54 0.00 0.03 0.00 0.00 46.19 43.05 2oa4 s LEU 15 CO 0.20 -1.90 1.76 1.55 0.23 0.00 0.00 176.35 178.18 2oa4 h PRO 16 N -0.06 0.03 0.00 1.29 0.13 -1.95 -2.00 132.00 129.44 2oa4 h PRO 16 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2oa4 h PRO 16 Cb 1.27 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2oa4 h PRO 16 CO 0.52 0.02 -0.08 -0.40 -0.23 0.00 0.00 178.00 177.84 2oa4 n ASP 17 N -4.20 0.00 -0.63 1.44 5.75 -1.26 -4.93 116.55 112.72 2oa4 n ASP 17 Ca 0.29 -1.15 0.05 0.00 -0.01 0.00 0.00 54.79 53.97 2oa4 n ASP 17 Cb 1.35 -0.03 0.20 0.00 -1.03 0.00 0.00 41.12 41.61 2oa4 n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oa4 n GLY 18 N 0.00 4.79 5.53 6.12 0.00 -0.75 -5.08 105.19 115.79 2oa4 n GLY 18 Ca 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 44.88 2oa4 n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oa4 n SER 19 N -1.10 -5.88 -4.58 1.61 7.64 -1.25 -4.37 113.62 105.69 2oa4 n SER 19 Ca 0.22 0.36 -0.42 0.00 1.01 0.00 0.00 58.87 60.04 2oa4 n SER 19 Cb 0.80 -1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 62.97 2oa4 n SER 19 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2oa4 s ILE 20 N -0.54 3.87 -0.22 0.44 -4.36 -1.26 -1.07 121.20 118.06 2oa4 s ILE 20 Ca 0.00 0.80 -0.14 0.00 -0.26 0.00 0.00 60.65 61.04 2oa4 s ILE 20 Cb 0.00 -4.44 -0.04 0.00 1.25 0.00 0.00 42.46 39.23 2oa4 s ILE 20 CO 0.00 -1.10 0.33 -0.32 0.24 0.00 0.00 174.94 174.09 2oa4 s MET 21 N 5.24 4.12 0.26 0.37 1.75 0.87 -4.84 119.30 127.06 2oa4 s MET 21 Ca 0.53 0.04 0.06 0.00 -1.25 0.00 0.00 55.69 55.07 2oa4 s MET 21 Cb -0.11 -3.56 -0.03 0.00 2.84 0.00 0.00 34.83 33.97 2oa4 s MET 21 CO 0.27 -0.06 0.31 0.99 -0.65 0.00 0.00 175.02 175.88 2oa4 s THR 22 N 1.38 4.80 -1.44 10.11 2.01 -1.26 -0.53 115.64 130.71 2oa4 s THR 22 Ca 0.15 -1.15 0.18 0.00 0.31 0.00 0.00 61.69 61.18 2oa4 s THR 22 Cb -0.15 -3.63 0.32 0.00 0.01 0.00 0.00 72.50 69.05 2oa4 s THR 22 CO 0.07 -0.32 1.55 -2.11 -0.69 0.00 0.00 174.62 173.13 2oa4 n ARG 23 N -1.35 0.27 0.08 4.92 1.85 -1.26 -0.90 116.66 120.28 2oa4 n ARG 23 Ca -0.08 0.11 0.13 0.00 -1.00 0.00 0.00 57.85 57.02 2oa4 n ARG 23 Cb 0.58 -1.50 0.42 0.00 -1.05 0.00 0.00 32.46 30.91 2oa4 n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2oa4 n ALA 24 N -1.28 2.35 1.54 2.89 0.00 -1.26 -2.88 120.51 121.88 2oa4 n ALA 24 Ca 0.09 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.61 2oa4 n ALA 24 Cb 0.14 -1.44 0.58 0.00 0.00 0.00 0.00 19.45 18.73 2oa4 n ALA 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2oa4 n ASP 25 N -2.12 1.13 -4.71 0.00 8.00 -0.07 -4.90 116.55 113.88 2oa4 n ASP 25 Ca 0.06 -1.28 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 2oa4 n ASP 25 Cb 0.42 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2oa4 n ASP 25 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2oa4 s LEU 26 N -2.09 4.33 -0.08 0.64 1.43 -1.14 -5.00 118.68 116.77 2oa4 s LEU 26 Ca 0.37 1.52 -0.38 0.00 -1.03 0.00 0.00 54.13 54.61 2oa4 s LEU 26 Cb 0.21 -3.45 -0.16 0.00 0.03 0.00 0.00 46.19 42.83 2oa4 s LEU 26 CO 0.37 -0.26 1.57 -2.65 0.23 0.00 0.00 176.35 175.61 2oa4 n PRO 27 N 4.08 1.29 -0.44 1.29 -0.02 -1.26 -4.84 135.00 135.10 2oa4 n PRO 27 Ca 0.05 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 2oa4 n PRO 27 Cb 0.51 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 2oa4 n PRO 27 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2oa4 n PRO 28 N 4.11 0.87 0.00 0.52 -0.04 -1.26 -4.80 135.00 134.41 2oa4 n PRO 28 Ca 0.22 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2oa4 n PRO 28 Cb 0.18 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2oa4 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2oa4 n ALA 29 N 1.72 0.00 -1.56 0.55 0.00 -1.26 -4.36 120.51 115.60 2oa4 n ALA 29 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 2oa4 n ALA 29 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 2oa4 n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2oa4 n ASN 30 N 1.92 6.94 -4.62 0.00 3.02 -1.26 -4.98 115.26 116.27 2oa4 n ASN 30 Ca 0.00 -3.46 -0.49 0.00 -0.03 0.00 0.00 54.58 50.61 2oa4 n ASN 30 Cb 0.00 -1.14 -0.05 0.00 -0.61 0.00 0.00 39.78 37.99 2oa4 n ASN 30 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2oa4 n THR 31 N 0.18 0.33 0.87 3.41 -1.04 -1.26 -4.88 114.28 111.90 2oa4 n THR 31 Ca 0.50 -0.08 0.13 0.00 -2.04 0.00 0.00 64.05 62.56 2oa4 n THR 31 Cb 0.46 -1.12 0.41 0.00 -1.82 0.00 0.00 70.33 68.25 2oa4 n THR 31 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2oa4 n ARG 32 N 2.53 0.09 -3.78 -2.82 1.74 -1.26 -4.37 116.66 108.79 2oa4 n ARG 32 Ca 0.16 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 2oa4 n ARG 32 Cb 0.25 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 2oa4 n ARG 32 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2oa4 s ARG 33 N -3.04 1.73 -1.31 5.56 3.00 -1.26 -5.00 118.95 118.62 2oa4 s ARG 33 Ca 0.11 -2.54 -0.08 0.00 0.00 0.00 0.00 55.73 53.22 2oa4 s ARG 33 Cb 0.17 -2.74 0.14 0.00 0.00 0.00 0.00 34.95 32.51 2oa4 s ARG 33 CO 0.62 -1.22 2.07 0.91 0.00 0.00 0.00 175.30 177.68 2oa4 n TRP 34 N 2.90 2.82 -1.98 -0.53 7.02 -1.26 -4.89 117.44 121.52 2oa4 n TRP 34 Ca 0.14 -2.81 -0.31 0.00 -1.02 0.00 0.00 57.50 53.50 2oa4 n TRP 34 Cb 0.36 -1.95 0.00 0.00 -2.42 0.00 0.00 31.31 27.30 2oa4 n TRP 34 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 2oa4 s VAL 35 N 0.07 4.68 0.14 -0.99 -7.23 -1.26 -4.88 120.40 110.93 2oa4 s VAL 35 Ca 0.45 0.92 -0.18 0.00 -1.81 0.00 0.00 61.98 61.36 2oa4 s VAL 35 Cb 0.13 -3.84 0.01 0.00 0.56 0.00 0.00 36.38 33.23 2oa4 s VAL 35 CO -0.03 -1.06 1.71 0.00 -0.31 0.00 0.00 175.10 175.41 2oa4 h ALA 36 N -0.09 0.25 -0.11 1.32 0.00 -2.00 -0.60 119.26 118.03 2oa4 h ALA 36 Ca -0.45 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2oa4 h ALA 36 Cb 1.19 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2oa4 h ALA 36 CO 0.62 -0.42 0.10 0.77 0.00 0.00 0.00 179.25 180.32 2oa4 h SER 37 N 0.08 0.00 0.12 0.00 0.02 -1.98 -0.21 113.55 111.58 2oa4 h SER 37 Ca 0.14 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 2oa4 h SER 37 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2oa4 h SER 37 CO -0.23 0.00 -0.93 -0.09 -1.14 0.00 0.00 176.83 174.44 2oa4 h ARG 38 N 0.00 0.26 -0.16 3.45 2.43 -1.49 -1.62 114.38 117.26 2oa4 h ARG 38 Ca 0.05 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.67 2oa4 h ARG 38 Cb 0.24 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2oa4 h ARG 38 CO -0.00 1.22 -0.36 1.57 -1.51 0.00 0.00 179.97 180.89 2oa4 h LYS 39 N -0.41 0.34 -0.48 0.20 2.10 -1.05 -0.88 116.57 116.40 2oa4 h LYS 39 Ca -0.18 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.29 2oa4 h LYS 39 Cb 1.63 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.93 2oa4 h LYS 39 CO 0.11 0.66 0.15 0.82 -2.00 0.00 0.00 179.45 179.19 2oa4 h ILE 40 N 0.29 1.19 -0.03 0.07 1.08 -1.11 -2.02 117.51 116.98 2oa4 h ILE 40 Ca 0.03 -0.65 -0.09 0.00 -0.39 0.00 0.00 64.86 63.76 2oa4 h ILE 40 Cb 0.77 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2oa4 h ILE 40 CO 0.06 0.25 -0.42 0.00 -0.69 0.00 0.00 178.15 177.35 2oa4 h ALA 41 N 1.48 1.25 0.41 1.87 0.00 -0.38 -2.12 119.26 121.78 2oa4 h ALA 41 Ca 0.16 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2oa4 h ALA 41 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2oa4 h ALA 41 CO -0.01 0.55 -0.20 0.28 0.00 0.00 0.00 179.25 179.87 2oa4 h VAL 42 N 0.06 0.59 -0.87 0.00 2.07 -0.45 0.49 116.25 118.14 2oa4 h VAL 42 Ca 0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2oa4 h VAL 42 Cb 0.76 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2oa4 h VAL 42 CO 0.06 0.02 0.57 -0.37 0.02 0.00 0.00 177.57 177.87 2oa4 h VAL 43 N -0.62 1.23 -0.22 2.57 -1.51 -1.46 0.12 116.25 116.36 2oa4 h VAL 43 Ca -0.06 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 2oa4 h VAL 43 Cb 0.46 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.57 2oa4 h VAL 43 CO 0.09 0.22 0.10 0.03 -1.23 0.00 0.00 177.57 176.79 2oa4 h ARG 44 N 1.18 0.32 -0.49 5.19 3.08 -1.20 -1.23 114.38 121.24 2oa4 h ARG 44 Ca 0.32 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 2oa4 h ARG 44 Cb -0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2oa4 h ARG 44 CO -0.07 0.35 -0.08 0.78 -1.07 0.00 0.00 179.97 179.89 2oa4 h GLY 45 N 0.22 0.95 0.06 0.04 0.00 0.45 -2.10 103.07 102.70 2oa4 h GLY 45 Ca 0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 2oa4 h GLY 45 CO -0.01 0.65 -0.03 -0.39 0.00 0.00 0.00 176.54 176.77 2oa4 h VAL 46 N 0.79 0.12 -0.15 4.60 -1.51 -0.96 -0.92 116.25 118.23 2oa4 h VAL 46 Ca 0.14 -1.02 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 2oa4 h VAL 46 Cb 0.59 0.22 -0.01 0.00 -2.13 0.00 0.00 31.29 29.96 2oa4 h VAL 46 CO 0.04 0.04 0.02 0.40 -1.23 0.00 0.00 177.57 176.83 2oa4 h ILE 47 N -1.02 1.23 0.00 7.19 2.04 -1.32 -1.84 117.51 123.79 2oa4 h ILE 47 Ca -0.01 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 64.97 2oa4 h ILE 47 Cb 0.12 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2oa4 h ILE 47 CO 0.01 0.22 -0.93 0.22 0.00 0.00 0.00 178.15 177.68 2oa4 h TYR 48 N 0.01 0.00 0.00 1.37 3.20 -1.52 -3.44 116.97 116.60 2oa4 h TYR 48 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2oa4 h TYR 48 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2oa4 h TYR 48 CO 0.02 0.50 0.00 0.41 -1.64 0.00 0.00 178.16 177.46 2oa4 n GLY 49 N 1.30 -0.41 0.10 1.82 0.00 -0.98 -5.03 105.19 101.99 2oa4 n GLY 49 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2oa4 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oa4 n LEU 50 N -1.95 0.00 -4.68 0.99 4.32 -0.39 -4.99 117.00 110.31 2oa4 n LEU 50 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 2oa4 n LEU 50 Cb 0.00 -0.11 -0.09 0.00 -1.62 0.00 0.00 43.42 41.60 2oa4 n LEU 50 CO 0.00 -0.16 -0.27 0.27 -1.22 0.00 0.00 177.39 176.01 2oa4 s ILE 51 N -0.32 1.60 0.84 -0.08 -0.00 -1.07 -5.00 121.20 117.17 2oa4 s ILE 51 Ca 0.00 -2.00 -0.13 0.00 -0.00 0.00 0.00 60.65 58.52 2oa4 s ILE 51 Cb 0.00 -2.61 0.10 0.00 -0.00 0.00 0.00 42.46 39.95 2oa4 s ILE 51 CO 0.00 0.00 1.20 0.42 -0.00 0.00 0.00 174.94 176.56 2oa4 s THR 52 N -2.80 2.00 0.41 8.37 -4.23 -1.26 -4.05 115.64 114.08 2oa4 s THR 52 Ca 0.22 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.96 2oa4 s THR 52 Cb 0.06 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 71.17 2oa4 s THR 52 CO 0.11 0.00 2.03 0.25 -0.54 0.00 0.00 174.62 176.48 2oa4 h LEU 53 N -1.19 0.00 0.22 4.79 5.85 -1.97 -2.90 115.31 120.11 2oa4 h LEU 53 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2oa4 h LEU 53 Cb 1.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2oa4 h LEU 53 CO 0.61 0.15 -0.21 0.00 -0.34 0.00 0.00 178.44 178.65 2oa4 h ALA 54 N 1.85 -0.43 -0.46 1.25 0.00 -1.99 0.25 119.26 119.73 2oa4 h ALA 54 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2oa4 h ALA 54 Cb 0.36 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2oa4 h ALA 54 CO 0.02 -0.77 0.13 1.49 0.00 0.00 0.00 179.25 180.12 2oa4 h GLU 55 N -0.46 0.72 0.00 0.00 4.22 -1.91 -1.43 114.58 115.72 2oa4 h GLU 55 Ca -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.28 2oa4 h GLU 55 Cb 0.43 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2oa4 h GLU 55 CO -0.05 0.70 0.00 0.00 -2.18 0.00 0.00 179.01 177.48 2oa4 n ALA 56 N -2.36 1.71 -0.09 2.92 0.00 -1.07 -1.34 120.51 120.29 2oa4 n ALA 56 Ca 0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 2oa4 n ALA 56 Cb 0.20 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 2oa4 n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2oa4 n LYS 57 N -1.48 0.65 0.17 0.00 4.81 0.85 -0.95 118.16 122.20 2oa4 n LYS 57 Ca 0.04 0.32 0.02 0.00 -0.87 0.00 0.00 58.31 57.82 2oa4 n LYS 57 Cb 0.17 -1.63 0.35 0.00 0.02 0.00 0.00 35.03 33.95 2oa4 n LYS 57 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2oa4 h GLN 58 N -0.46 0.06 0.00 1.64 7.50 -1.10 -0.80 115.11 121.95 2oa4 h GLN 58 Ca -0.50 -0.02 -0.26 0.00 0.50 0.00 0.00 58.65 58.36 2oa4 h GLN 58 Cb 1.73 -0.00 -0.04 0.00 0.05 0.00 0.00 27.48 29.21 2oa4 h GLN 58 CO -0.14 0.39 -1.86 2.41 -1.50 0.00 0.00 178.83 178.13 2oa4 n THR 59 N -4.12 1.50 -0.76 -0.54 -1.04 -0.45 -4.69 114.28 104.19 2oa4 n THR 59 Ca -0.02 -0.15 0.08 0.00 -2.04 0.00 0.00 64.05 61.92 2oa4 n THR 59 Cb 0.39 -2.08 0.30 0.00 -1.82 0.00 0.00 70.33 67.12 2oa4 n THR 59 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2oa4 n TYR 60 N -4.33 1.24 0.02 -1.42 4.01 -0.49 -4.72 117.16 111.47 2oa4 n TYR 60 Ca -0.36 -0.72 0.20 0.00 -0.16 0.00 0.00 57.90 56.85 2oa4 n TYR 60 Cb 0.72 -0.29 0.70 0.00 -0.31 0.00 0.00 39.34 40.16 2oa4 n TYR 60 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2oa4 h GLY 61 N 2.87 0.00 0.00 2.72 0.00 0.50 -3.45 103.07 105.71 2oa4 h GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2oa4 h GLY 61 CO 0.25 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.83 2oa4 n LEU 62 N -4.30 0.00 -3.78 3.11 4.32 -1.26 -4.12 117.00 110.96 2oa4 n LEU 62 Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.95 2oa4 n LEU 62 Cb 0.59 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.29 2oa4 n LEU 62 CO 0.36 0.00 -0.04 -0.44 -1.22 0.00 0.00 177.39 176.05 2oa4 s SER 63 N -4.00 -0.22 0.17 -1.43 0.01 -1.26 -5.05 113.70 101.92 2oa4 s SER 63 Ca 0.00 0.32 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 2oa4 s SER 63 Cb 0.00 0.45 0.13 0.00 0.21 0.00 0.00 66.02 66.82 2oa4 s SER 63 CO 0.00 -0.24 1.72 0.44 0.41 0.00 0.00 173.24 175.57 2oa4 h ASP 64 N 4.94 -0.01 -0.42 2.44 3.32 -2.01 -1.27 116.42 123.40 2oa4 h ASP 64 Ca -0.28 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 2oa4 h ASP 64 Cb 1.19 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 2oa4 h ASP 64 CO 0.36 0.03 0.15 -0.08 -1.72 0.00 0.00 179.24 177.98 2oa4 h GLU 65 N 0.21 0.71 0.36 3.56 4.57 -1.97 0.31 114.58 122.32 2oa4 h GLU 65 Ca 0.21 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2oa4 h GLU 65 Cb 0.27 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2oa4 h GLU 65 CO -0.28 0.62 -0.25 1.49 -1.18 0.00 0.00 179.01 179.41 2oa4 h GLU 66 N 0.70 -0.58 -0.78 1.92 4.57 -1.63 -1.38 114.58 117.41 2oa4 h GLU 66 Ca 0.16 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.36 2oa4 h GLU 66 Cb 0.21 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 2oa4 h GLU 66 CO -0.01 -0.39 0.38 0.35 -1.18 0.00 0.00 179.01 178.17 2oa4 h PHE 67 N -0.60 1.10 -0.91 0.92 3.04 -0.87 -1.78 116.94 117.84 2oa4 h PHE 67 Ca -0.03 -0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.92 2oa4 h PHE 67 Cb 0.51 -0.34 -0.06 0.00 2.56 0.00 0.00 35.95 38.62 2oa4 h PHE 67 CO -0.11 0.79 0.58 -0.91 -2.02 0.00 0.00 178.31 176.64 2oa4 h ASN 68 N 1.10 0.94 -0.36 0.41 2.35 -0.73 -2.05 115.58 117.24 2oa4 h ASN 68 Ca 0.27 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2oa4 h ASN 68 Cb 0.09 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2oa4 h ASN 68 CO -0.04 0.63 0.17 0.28 -1.65 0.00 0.00 177.43 176.82 2oa4 h SER 69 N 1.09 0.52 0.37 5.81 0.02 -0.35 0.72 113.55 121.73 2oa4 h SER 69 Ca 0.38 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2oa4 h SER 69 Cb 0.08 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2oa4 h SER 69 CO -0.14 0.47 -0.18 -0.50 -1.14 0.00 0.00 176.83 175.33 2oa4 h TRP 70 N 0.57 -0.47 -0.46 3.45 6.55 -1.20 -2.26 115.95 122.13 2oa4 h TRP 70 Ca 0.14 -0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.91 2oa4 h TRP 70 Cb 0.11 0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.54 2oa4 h TRP 70 CO 0.01 -0.17 0.02 0.28 -1.05 0.00 0.00 178.44 177.53 2oa4 h VAL 71 N -0.74 1.23 -0.34 1.49 2.07 -1.25 -1.22 116.25 117.49 2oa4 h VAL 71 Ca -0.05 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2oa4 h VAL 71 Cb 0.51 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2oa4 h VAL 71 CO 0.08 0.33 0.02 -1.28 0.02 0.00 0.00 177.57 176.74 2oa4 h SER 72 N 0.70 0.49 0.72 0.57 0.87 -0.82 0.25 113.55 116.33 2oa4 h SER 72 Ca 0.14 -0.09 -0.23 0.00 -1.23 0.00 0.00 61.79 60.38 2oa4 h SER 72 Cb 0.40 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2oa4 h SER 72 CO 0.01 0.54 -1.07 0.00 -0.53 0.00 0.00 176.83 175.79 2oa4 h ALA 73 N 1.52 0.29 0.00 6.23 0.00 -0.87 -3.20 119.26 123.23 2oa4 h ALA 73 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2oa4 h ALA 73 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2oa4 h ALA 73 CO 0.01 1.03 0.00 -0.07 0.00 0.00 0.00 179.25 180.22 2oa4 h LEU 74 N 0.06 0.00 -0.07 0.00 3.38 -0.70 -2.48 115.31 115.51 2oa4 h LEU 74 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2oa4 h LEU 74 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2oa4 h LEU 74 CO 0.16 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.69 2oa4 n ALA 75 N -2.07 2.11 0.00 1.53 0.00 0.83 -4.92 120.51 118.00 2oa4 n ALA 75 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2oa4 n ALA 75 Cb 0.50 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2oa4 n ALA 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2oa4 n GLU 76 N -1.73 0.00 -0.03 0.00 0.00 -0.93 -3.16 120.64 114.79 2oa4 n GLU 76 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.00 2oa4 n GLU 76 Cb 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.62 2oa4 n GLU 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2oa4 h HIS 77 N 0.00 0.30 0.00 4.31 3.86 -1.88 -3.47 115.15 118.27 2oa4 h HIS 77 Ca 0.00 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2oa4 h HIS 77 Cb 0.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2oa4 h HIS 77 CO 0.00 1.59 0.00 0.41 0.86 0.00 0.00 177.93 180.79 2oa4 n GLY 78 N 1.71 1.19 5.00 2.45 0.00 -1.19 -4.88 105.19 109.48 2oa4 n GLY 78 Ca -0.29 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2oa4 n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oa4 n LYS 79 N 9.98 0.00 -0.07 1.61 4.76 -1.26 -3.49 118.16 129.69 2oa4 n LYS 79 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2oa4 n LYS 79 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 2oa4 n LYS 79 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2oa4 h ASP 80 N 0.00 0.00 0.00 4.39 3.58 -2.00 -3.48 116.42 118.91 2oa4 h ASP 80 Ca 0.00 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2oa4 h ASP 80 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2oa4 h ASP 80 CO 0.00 0.88 0.00 0.00 -2.88 0.00 0.00 179.24 177.24 2oa4 n ALA 81 N -3.12 0.00 0.01 -0.78 0.00 -1.23 -4.78 120.51 110.61 2oa4 n ALA 81 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 2oa4 n ALA 81 Cb 0.32 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 2oa4 n ALA 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2oa4 h LEU 82 N 0.00 0.25 -1.66 0.00 5.85 -1.92 -3.32 115.31 114.50 2oa4 h LEU 82 Ca 0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2oa4 h LEU 82 Cb 0.06 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2oa4 h LEU 82 CO 0.00 1.42 0.00 0.29 -0.34 0.00 0.00 178.44 179.81 2oa4 n LYS 83 N -3.31 2.08 -2.80 1.25 4.01 -1.26 -4.30 118.16 113.83 2oa4 n LYS 83 Ca -0.22 -1.63 -0.42 0.00 -0.51 0.00 0.00 58.31 55.53 2oa4 n LYS 83 Cb 1.05 -1.43 -0.03 0.00 -0.51 0.00 0.00 35.03 34.10 2oa4 n LYS 83 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2oa4 s VAL 84 N -1.62 4.85 0.20 -0.18 1.01 -1.25 -4.92 120.40 118.49 2oa4 s VAL 84 Ca 0.34 1.82 -0.12 0.00 0.00 0.00 0.00 61.98 64.02 2oa4 s VAL 84 Cb 0.19 -4.22 0.14 0.00 0.00 0.00 0.00 36.38 32.50 2oa4 s VAL 84 CO 0.27 0.03 1.69 0.74 0.00 0.00 0.00 175.10 177.84 2oa4 h THR 85 N 5.11 0.62 -0.95 3.92 2.02 -1.91 0.64 112.91 122.37 2oa4 h THR 85 Ca -0.31 -0.06 0.11 0.00 0.77 0.00 0.00 66.41 66.92 2oa4 h THR 85 Cb 1.14 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 2oa4 h THR 85 CO 0.84 0.03 0.58 0.00 0.37 0.00 0.00 175.52 177.34 2oa4 h ALA 86 N 1.46 1.40 0.12 6.16 0.00 -1.93 0.24 119.26 126.71 2oa4 h ALA 86 Ca 0.28 0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.86 2oa4 h ALA 86 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2oa4 h ALA 86 CO -0.41 0.20 -1.93 1.25 0.00 0.00 0.00 179.25 178.36 2oa4 h LEU 87 N 0.94 0.39 -0.55 0.00 7.12 -1.50 -2.82 115.31 118.88 2oa4 h LEU 87 Ca 0.46 -0.83 0.07 0.00 0.13 0.00 0.00 57.88 57.71 2oa4 h LEU 87 Cb 0.44 -0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.38 2oa4 h LEU 87 CO -0.26 1.74 0.23 0.50 -0.13 0.00 0.00 178.44 180.52 2oa4 h LYS 88 N 0.07 0.41 -0.48 1.25 3.64 0.43 0.34 116.57 122.23 2oa4 h LYS 88 Ca -0.40 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.86 2oa4 h LYS 88 Cb 2.04 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.75 2oa4 h LYS 88 CO 0.10 0.27 -0.08 0.87 -2.27 0.00 0.00 179.45 178.34 2oa4 h LYS 89 N 0.42 0.90 0.03 1.90 1.57 -0.60 0.47 116.57 121.27 2oa4 h LYS 89 Ca 0.27 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2oa4 h LYS 89 Cb 0.28 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2oa4 h LYS 89 CO -0.25 0.98 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.58 2oa4 h TYR 90 N 0.75 -0.30 -0.19 -1.35 3.20 -1.17 0.10 116.97 118.02 2oa4 h TYR 90 Ca 0.13 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2oa4 h TYR 90 Cb 0.63 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 2oa4 h TYR 90 CO 0.05 -0.18 -0.16 -0.09 -1.64 0.00 0.00 178.16 176.14 2oa4 h ARG 91 N -0.21 0.45 0.00 1.82 2.43 -0.79 -2.85 114.38 115.22 2oa4 h ARG 91 Ca 0.03 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 2oa4 h ARG 91 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2oa4 h ARG 91 CO -0.09 0.79 -0.21 0.37 -1.51 0.00 0.00 179.97 179.31 2oa4 h GLN 92 N 0.12 0.00 -0.24 0.20 4.15 0.01 0.03 115.11 119.37 2oa4 h GLN 92 Ca 0.03 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.26 2oa4 h GLN 92 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 2oa4 h GLN 92 CO 0.04 0.21 -0.62 1.25 -1.93 0.00 0.00 178.83 177.78 2oa4 h LEU 93 N 0.00 0.96 -0.23 -2.39 5.85 -0.71 0.59 115.31 119.38 2oa4 h LEU 93 Ca -0.00 -0.56 -0.13 0.00 0.84 0.00 0.00 57.88 58.03 2oa4 h LEU 93 Cb 0.39 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2oa4 h LEU 93 CO 0.03 1.35 -0.35 -0.07 -0.34 0.00 0.00 178.44 179.06 2oa4 h LEU 94 N 0.61 0.71 0.60 2.25 4.07 -1.20 -3.29 115.31 119.07 2oa4 h LEU 94 Ca -0.01 -0.52 -0.03 0.00 0.08 0.00 0.00 57.88 57.40 2oa4 h LEU 94 Cb 1.23 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 42.78 2oa4 h LEU 94 CO 0.13 1.09 -0.29 -0.08 -1.08 0.00 0.00 178.44 178.21 2oa4 h GLU 95 N 0.35 -0.78 0.00 1.13 4.81 -1.03 -3.46 114.58 115.59 2oa4 h GLU 95 Ca 0.02 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2oa4 h GLU 95 Cb 0.94 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2oa4 h GLU 95 CO 0.08 -0.49 0.00 1.58 -0.73 0.00 0.00 179.01 179.45 2oa4 n HIS 96 N -5.33 0.00 -3.67 0.92 -0.00 0.20 -4.88 115.22 102.48 2oa4 n HIS 96 Ca -0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.44 2oa4 n HIS 96 Cb 0.34 -0.55 -0.16 0.00 -0.00 0.00 0.00 29.99 29.62 2oa4 n HIS 96 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2oa4 s HIS 97 N -2.08 -0.14 -2.19 1.57 3.76 -1.26 -4.97 115.29 109.97 2oa4 s HIS 97 Ca 0.00 0.56 0.22 0.00 -0.15 0.00 0.00 55.06 55.69 2oa4 s HIS 97 Cb 0.00 -0.29 1.01 0.00 1.11 0.00 0.00 32.58 34.41 2oa4 s HIS 97 CO 0.00 -0.26 1.69 0.72 -0.85 0.00 0.00 174.74 176.04 2oa4 n HIS 98 N 5.32 0.09 0.00 1.40 -0.00 -1.26 -4.93 115.22 115.84 2oa4 n HIS 98 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2oa4 n HIS 98 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 2oa4 n HIS 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2oa4 n HIS 99 N -0.18 0.00 -2.16 4.41 -0.00 -1.26 -3.22 115.22 112.81 2oa4 n HIS 99 Ca 0.17 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.31 2oa4 n HIS 99 Cb 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 2oa4 n HIS 99 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2oa4 n HIS 100 N 0.00 -0.60 -0.87 1.57 -0.00 -1.26 -5.30 115.22 108.75 2oa4 n HIS 100 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 57.72 56.98 2oa4 n HIS 100 Cb 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 29.99 30.77 2oa4 n HIS 100 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92