#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xo3 n ALA 2 N 0.00 -1.11 0.02 -0.43 0.00 -1.26 -3.87 120.51 113.86 1xo3 n ALA 2 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1xo3 n ALA 2 Cb 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 1xo3 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xo3 h ALA 3 N 0.15 -0.16 0.00 0.00 0.00 -1.88 -3.41 119.26 113.96 1xo3 h ALA 3 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xo3 h ALA 3 Cb 0.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xo3 h ALA 3 CO 0.00 -0.21 -0.03 -1.00 0.00 0.00 0.00 179.25 178.01 1xo3 h PRO 4 N -0.91 0.00 -2.91 0.00 0.13 -1.83 -3.48 132.00 122.99 1xo3 h PRO 4 Ca -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 1xo3 h PRO 4 Cb 0.52 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.46 1xo3 h PRO 4 CO 0.03 0.00 -0.15 -0.48 -0.23 0.00 0.00 178.00 177.17 1xo3 s LEU 5 N -6.44 0.48 -0.07 1.56 0.05 -1.26 -5.05 118.68 107.94 1xo3 s LEU 5 Ca -0.01 0.12 -0.03 0.00 0.05 0.00 0.00 54.13 54.27 1xo3 s LEU 5 Cb 0.00 1.62 -0.04 0.00 -2.05 0.00 0.00 46.19 45.73 1xo3 s LEU 5 CO 0.01 -0.56 0.05 0.00 -0.55 0.00 0.00 176.35 175.30 1xo3 s VAL 7 N -0.98 2.15 -0.11 0.00 1.01 -0.34 -0.90 120.40 121.23 1xo3 s VAL 7 Ca 0.16 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.09 1xo3 s VAL 7 Cb -0.12 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1xo3 s VAL 7 CO 0.05 -0.24 -0.06 -0.75 0.00 0.00 0.00 175.10 174.10 1xo3 s LYS 8 N -2.85 1.30 -0.15 2.72 2.36 0.54 -1.19 119.74 122.47 1xo3 s LYS 8 Ca 0.20 -0.19 -0.03 0.00 -2.55 0.00 0.00 55.97 53.40 1xo3 s LYS 8 Cb -0.06 -1.49 -0.03 0.00 -1.05 0.00 0.00 37.83 35.20 1xo3 s LYS 8 CO 0.09 -0.29 -0.04 0.08 1.55 0.00 0.00 175.35 176.74 1xo3 s VAL 9 N 1.77 3.91 0.10 4.02 1.01 -0.27 0.71 120.40 131.64 1xo3 s VAL 9 Ca 0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1xo3 s VAL 9 Cb -0.13 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1xo3 s VAL 9 CO -0.08 0.51 0.16 -0.70 0.00 0.00 0.00 175.10 174.99 1xo3 s GLU 10 N 0.20 0.86 0.47 2.72 2.12 -0.02 0.99 118.70 126.04 1xo3 s GLU 10 Ca -0.02 -1.07 -0.13 0.00 0.36 0.00 0.00 54.97 54.10 1xo3 s GLU 10 Cb -0.14 0.32 -0.07 0.00 0.26 0.00 0.00 34.13 34.50 1xo3 s GLU 10 CO 0.03 -0.26 0.89 -0.59 -0.54 0.00 0.00 175.26 174.78 1xo3 s PHE 11 N -3.90 3.47 0.28 5.30 -0.71 -0.92 -1.97 117.98 119.53 1xo3 s PHE 11 Ca 0.09 1.25 0.00 0.00 -1.04 0.00 0.00 56.93 57.23 1xo3 s PHE 11 Cb 0.05 -2.62 0.00 0.00 -1.21 0.00 0.00 43.02 39.24 1xo3 s PHE 11 CO -0.08 -0.27 0.00 0.41 -1.34 0.00 0.00 175.22 173.94 1xo3 n GLY 12 N -1.54 -0.44 2.19 1.99 0.00 0.03 -4.76 105.19 102.66 1xo3 n GLY 12 Ca 0.05 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1xo3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 13 N 1.24 3.75 2.55 -0.02 0.00 -0.81 -4.49 105.19 107.42 1xo3 n GLY 13 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 1xo3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 14 N 2.81 0.94 0.27 -0.02 0.00 -1.26 -3.92 105.19 104.01 1xo3 n GLY 14 Ca 0.60 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.53 1xo3 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xo3 h ALA 15 N 0.00 1.86 0.00 4.61 0.00 -1.84 -1.77 119.26 122.12 1xo3 h ALA 15 Ca -0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xo3 h ALA 15 Cb 0.86 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xo3 h ALA 15 CO 0.26 0.01 -0.10 1.05 0.00 0.00 0.00 179.25 180.47 1xo3 h GLU 16 N 0.00 0.00 0.00 0.00 4.11 -1.89 -0.95 114.58 115.85 1xo3 h GLU 16 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xo3 h GLU 16 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xo3 h GLU 16 CO 0.00 0.10 0.00 1.28 0.07 0.00 0.00 179.01 180.46 1xo3 n LEU 17 N -4.08 0.26 0.06 3.06 4.77 -0.67 -0.15 117.00 120.26 1xo3 n LEU 17 Ca -0.02 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1xo3 n LEU 17 Cb 0.18 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1xo3 n LEU 17 CO 0.32 -0.45 -0.08 0.18 -1.33 0.00 0.00 177.39 176.03 1xo3 n LEU 18 N -1.80 0.63 -0.79 2.23 4.77 -0.36 -4.34 117.00 117.33 1xo3 n LEU 18 Ca 0.02 0.17 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1xo3 n LEU 18 Cb 0.15 -0.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.39 1xo3 n LEU 18 CO 0.13 -0.08 0.68 0.49 -1.33 0.00 0.00 177.39 177.28 1xo3 n PHE 19 N -2.37 0.78 -1.50 -1.77 3.72 0.78 0.10 117.46 117.21 1xo3 n PHE 19 Ca 0.00 -0.77 -0.08 0.00 -0.05 0.00 0.00 57.45 56.55 1xo3 n PHE 19 Cb 0.51 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1xo3 n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xo3 n ASP 20 N -0.26 -3.59 0.00 4.37 2.03 -0.96 -3.39 116.55 114.76 1xo3 n ASP 20 Ca 0.18 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1xo3 n ASP 20 Cb 0.75 -2.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 1xo3 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xo3 n GLY 21 N -1.74 0.73 3.81 0.27 0.00 0.61 -5.02 105.19 103.85 1xo3 n GLY 21 Ca -0.08 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1xo3 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xo3 s VAL 22 N -2.00 5.01 0.00 1.61 0.11 -1.22 -4.98 120.40 118.93 1xo3 s VAL 22 Ca 0.00 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1xo3 s VAL 22 Cb 0.00 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1xo3 s VAL 22 CO 0.00 0.53 0.00 0.29 -3.33 0.00 0.00 175.10 172.59 1xo3 n LYS 23 N 2.16 0.00 -3.15 1.54 5.02 -1.26 -4.42 118.16 118.05 1xo3 n LYS 23 Ca -0.12 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.78 1xo3 n LYS 23 Cb 0.52 -0.12 -0.06 0.00 -0.02 0.00 0.00 35.03 35.35 1xo3 n LYS 23 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xo3 s LYS 24 N -0.54 4.30 -0.23 1.97 2.20 -1.26 -2.16 119.74 124.03 1xo3 s LYS 24 Ca 0.00 0.64 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 1xo3 s LYS 24 Cb 0.00 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.86 1xo3 s LYS 24 CO 0.00 -0.07 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.23 1xo3 s HIS 25 N 1.32 2.82 -0.32 4.03 5.65 0.28 -4.97 115.29 124.10 1xo3 s HIS 25 Ca 0.30 -1.93 -0.12 0.00 0.25 0.00 0.00 55.06 53.56 1xo3 s HIS 25 Cb -0.16 -1.79 -0.02 0.00 -1.18 0.00 0.00 32.58 29.42 1xo3 s HIS 25 CO 0.12 -0.81 0.22 -1.14 -0.65 0.00 0.00 174.74 172.47 1xo3 s GLN 26 N 1.26 3.56 -0.11 2.88 0.74 -1.26 -1.11 119.66 125.62 1xo3 s GLN 26 Ca -0.04 -0.59 -0.03 0.00 0.05 0.00 0.00 55.36 54.75 1xo3 s GLN 26 Cb -0.18 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 1xo3 s GLN 26 CO -0.07 -0.39 0.01 0.54 -0.55 0.00 0.00 175.29 174.83 1xo3 s VAL 27 N 1.71 4.40 -0.24 1.34 0.11 -0.33 -4.98 120.40 122.41 1xo3 s VAL 27 Ca 0.06 -0.20 -0.08 0.00 -2.93 0.00 0.00 61.98 58.82 1xo3 s VAL 27 Cb -0.17 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.77 1xo3 s VAL 27 CO 0.10 0.58 0.10 0.00 -3.33 0.00 0.00 175.10 172.54 1xo3 s ALA 28 N -0.63 3.32 0.34 1.54 0.00 -1.26 -1.20 121.76 123.87 1xo3 s ALA 28 Ca 0.10 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 1xo3 s ALA 28 Cb -0.12 -2.13 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 1xo3 s ALA 28 CO 0.02 -0.32 1.36 -0.51 0.00 0.00 0.00 175.76 176.32 1xo3 s LEU 29 N 1.31 4.39 0.37 0.00 1.43 -0.96 -4.88 118.68 120.34 1xo3 s LEU 29 Ca 0.06 2.80 -0.16 0.00 -1.03 0.00 0.00 54.13 55.79 1xo3 s LEU 29 Cb -0.15 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 1xo3 s LEU 29 CO 0.05 -0.64 0.82 -2.16 0.23 0.00 0.00 176.35 174.64 1xo3 s PRO 30 N -1.86 4.04 -1.44 1.29 0.05 -1.26 -2.91 135.00 132.91 1xo3 s PRO 30 Ca 0.50 0.79 -0.13 0.00 0.05 0.00 0.00 61.00 62.22 1xo3 s PRO 30 Cb -0.42 -2.34 -0.03 0.00 0.05 0.00 0.00 34.50 31.77 1xo3 s PRO 30 CO 0.56 0.06 2.48 0.41 0.05 0.00 0.00 177.00 180.56 1xo3 n GLY 31 N -0.62 4.14 0.00 0.56 0.00 -1.26 -3.99 105.19 104.01 1xo3 n GLY 31 Ca 0.05 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1xo3 n GLY 31 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xo3 n GLN 32 N 5.08 0.00 0.18 1.61 7.27 -1.26 -4.97 117.38 125.28 1xo3 n GLN 32 Ca 0.62 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.82 1xo3 n GLN 32 Cb 0.31 0.00 0.49 0.00 2.41 0.00 0.00 30.24 33.45 1xo3 n GLN 32 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1xo3 h GLU 33 N 0.00 0.00 -5.63 3.69 3.07 -2.04 -3.47 114.58 110.20 1xo3 h GLU 33 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1xo3 h GLU 33 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1xo3 h GLU 33 CO 0.00 0.00 -0.22 0.39 -1.40 0.00 0.00 179.01 177.78 1xo3 n GLU 34 N -2.59 -1.38 -0.55 2.33 1.02 -1.26 -4.90 120.64 113.32 1xo3 n GLU 34 Ca 0.03 1.37 0.04 0.00 -0.02 0.00 0.00 57.16 58.58 1xo3 n GLU 34 Cb 0.33 -5.11 0.25 0.00 -0.02 0.00 0.00 31.44 26.89 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1xo3 n PRO 35 N -1.91 3.39 -0.83 3.49 -0.04 -1.26 -4.28 135.00 133.56 1xo3 n PRO 35 Ca -0.06 -1.94 -0.17 0.00 -0.04 0.00 0.00 63.50 61.30 1xo3 n PRO 35 Cb 0.54 -1.97 0.08 0.00 -0.04 0.00 0.00 33.50 32.11 1xo3 n PRO 35 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xo3 n TRP 36 N 0.39 1.85 -1.27 0.54 5.03 -1.26 -4.81 117.44 117.91 1xo3 n TRP 36 Ca 0.17 -1.66 -0.36 0.00 3.03 0.00 0.00 57.50 58.68 1xo3 n TRP 36 Cb 0.83 -0.83 0.08 0.00 -1.03 0.00 0.00 31.31 30.37 1xo3 n TRP 36 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1xo3 n ASP 37 N -0.25 -0.25 -0.29 -0.99 9.92 -1.25 -4.61 116.55 118.82 1xo3 n ASP 37 Ca 0.36 0.61 0.09 0.00 -0.53 0.00 0.00 54.79 55.32 1xo3 n ASP 37 Cb 0.95 -1.33 0.31 0.00 -0.64 0.00 0.00 41.12 40.41 1xo3 n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1xo3 h ILE 38 N -0.42 0.92 -0.73 0.53 1.08 -1.60 0.54 117.51 117.83 1xo3 h ILE 38 Ca -0.46 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1xo3 h ILE 38 Cb 1.33 -0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1xo3 h ILE 38 CO 0.44 0.15 0.44 0.08 -0.69 0.00 0.00 178.15 178.58 1xo3 h ARG 39 N 0.85 0.99 -0.09 2.37 -0.00 -0.88 0.62 114.38 118.23 1xo3 h ARG 39 Ca 0.44 -0.09 -0.23 0.00 -0.00 0.00 0.00 59.98 60.10 1xo3 h ARG 39 Cb 0.52 -0.21 0.01 0.00 -0.00 0.00 0.00 29.97 30.30 1xo3 h ARG 39 CO -0.20 0.69 -0.86 -0.91 -0.00 0.00 0.00 179.97 178.69 1xo3 h ASN 40 N 1.00 0.90 0.08 0.08 2.35 -1.19 -2.94 115.58 115.86 1xo3 h ASN 40 Ca 0.26 -0.68 -0.11 0.00 -0.55 0.00 0.00 56.30 55.23 1xo3 h ASN 40 Cb -0.04 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1xo3 h ASN 40 CO -0.05 1.45 -0.35 -0.07 -1.65 0.00 0.00 177.43 176.75 1xo3 h LEU 41 N 0.44 0.40 -1.00 1.61 -0.00 -0.98 -0.74 115.31 115.04 1xo3 h LEU 41 Ca -0.08 -0.16 0.02 0.00 -0.00 0.00 0.00 57.88 57.66 1xo3 h LEU 41 Cb 1.50 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 42.00 1xo3 h LEU 41 CO 0.17 0.73 0.66 0.25 -0.00 0.00 0.00 178.44 180.25 1xo3 h LEU 42 N 0.33 1.13 -0.32 1.67 5.85 -0.89 0.13 115.31 123.21 1xo3 h LEU 42 Ca 0.04 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xo3 h LEU 42 Cb 0.78 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1xo3 h LEU 42 CO 0.06 0.80 0.06 0.58 -0.34 0.00 0.00 178.44 179.60 1xo3 h VAL 43 N 1.33 1.23 -0.45 1.05 2.07 -1.14 0.95 116.25 121.29 1xo3 h VAL 43 Ca 0.38 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 67.16 1xo3 h VAL 43 Cb -0.11 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1xo3 h VAL 43 CO -0.09 0.27 0.12 -0.25 0.02 0.00 0.00 177.57 177.63 1xo3 h TRP 44 N 0.36 0.20 -0.16 1.57 2.91 -0.77 -0.22 115.95 119.84 1xo3 h TRP 44 Ca 0.10 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 1xo3 h TRP 44 Cb 0.34 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 1xo3 h TRP 44 CO 0.02 0.04 -0.11 0.82 -1.03 0.00 0.00 178.44 178.18 1xo3 h ILE 45 N 0.26 1.33 0.32 2.65 2.04 -0.32 0.98 117.51 124.76 1xo3 h ILE 45 Ca 0.22 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 1xo3 h ILE 45 Cb 0.25 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1xo3 h ILE 45 CO -0.26 0.35 -0.27 0.50 0.00 0.00 0.00 178.15 178.47 1xo3 h LYS 46 N 0.01 -0.58 0.07 2.37 3.64 0.12 0.12 116.57 122.32 1xo3 h LYS 46 Ca 0.03 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xo3 h LYS 46 Cb 0.60 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1xo3 h LYS 46 CO 0.03 -0.39 -0.03 0.87 -2.27 0.00 0.00 179.45 177.66 1xo3 h LYS 47 N -0.60 -0.09 0.00 1.90 1.57 -1.10 -2.96 116.57 115.29 1xo3 h LYS 47 Ca -0.02 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1xo3 h LYS 47 Cb 0.53 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1xo3 h LYS 47 CO -0.03 0.48 -0.84 -0.91 -0.57 0.00 0.00 179.45 177.58 1xo3 h ASN 48 N -0.89 0.00 0.00 0.86 4.21 -0.87 -3.38 115.58 115.51 1xo3 h ASN 48 Ca -0.01 0.00 -0.42 0.00 1.21 0.00 0.00 56.30 57.08 1xo3 h ASN 48 Cb 0.61 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.74 1xo3 h ASN 48 CO 0.02 0.78 -2.44 0.18 -1.29 0.00 0.00 177.43 174.67 1xo3 n LEU 49 N -3.27 2.18 -4.58 1.61 4.77 0.18 -4.91 117.00 112.99 1xo3 n LEU 49 Ca -0.00 0.18 -0.40 0.00 -0.03 0.00 0.00 56.01 55.76 1xo3 n LEU 49 Cb 0.86 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1xo3 n LEU 49 CO 0.44 0.66 1.81 -0.22 -1.33 0.00 0.00 177.39 178.74 1xo3 s LEU 50 N -7.11 3.42 0.06 2.23 1.98 0.09 -4.06 118.68 115.29 1xo3 s LEU 50 Ca -0.35 1.34 -0.18 0.00 -2.89 0.00 0.00 54.13 52.05 1xo3 s LEU 50 Cb 0.12 -3.10 -0.13 0.00 0.66 0.00 0.00 46.19 43.74 1xo3 s LEU 50 CO 0.49 -2.23 1.34 0.11 -1.89 0.00 0.00 176.35 174.17 1xo3 h LYS 51 N 15.95 0.51 0.00 1.98 1.79 -0.65 -3.46 116.57 132.68 1xo3 h LYS 51 Ca -0.33 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 1xo3 h LYS 51 Cb 1.22 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1xo3 h LYS 51 CO 1.06 0.90 0.00 -0.85 -1.08 0.00 0.00 179.45 179.48 1xo3 n GLU 52 N -4.38 1.23 -2.00 3.15 0.28 -1.26 -5.01 120.64 112.65 1xo3 n GLU 52 Ca -0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.52 1xo3 n GLU 52 Cb 0.45 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.29 1xo3 n GLU 52 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1xo3 s ARG 53 N -0.87 4.21 0.00 3.44 1.70 -1.26 -4.87 118.95 121.30 1xo3 s ARG 53 Ca 0.00 2.24 0.12 0.00 -0.47 0.00 0.00 55.73 57.62 1xo3 s ARG 53 Cb 0.00 -3.67 0.70 0.00 -0.57 0.00 0.00 34.95 31.41 1xo3 s ARG 53 CO 0.00 -0.73 1.13 -2.30 -1.08 0.00 0.00 175.30 172.32 1xo3 n PRO 54 N 5.87 0.40 -0.05 3.89 -0.02 -1.26 -3.59 135.00 140.23 1xo3 n PRO 54 Ca 0.16 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.66 1xo3 n PRO 54 Cb 0.42 -1.47 0.35 0.00 -0.02 0.00 0.00 33.50 32.78 1xo3 n PRO 54 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xo3 h GLU 55 N 0.00 0.65 -0.06 -0.52 5.08 -1.93 0.68 114.58 118.47 1xo3 h GLU 55 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xo3 h GLU 55 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1xo3 h GLU 55 CO 0.00 0.48 0.00 1.47 -1.00 0.00 0.00 179.01 179.96 1xo3 n LEU 56 N -4.42 1.59 0.00 1.33 -0.00 -1.24 -4.87 117.00 109.40 1xo3 n LEU 56 Ca 0.04 -0.57 -0.06 0.00 -0.00 0.00 0.00 56.01 55.42 1xo3 n LEU 56 Cb 0.10 -0.03 0.02 0.00 -0.00 0.00 0.00 43.42 43.51 1xo3 n LEU 56 CO 0.36 0.28 0.12 0.33 -0.00 0.00 0.00 177.39 178.49 1xo3 n PHE 57 N 0.25 -2.83 -1.87 1.47 7.35 0.23 -4.97 117.46 117.09 1xo3 n PHE 57 Ca 0.18 -0.64 -0.30 0.00 -0.76 0.00 0.00 57.45 55.93 1xo3 n PHE 57 Cb 0.36 -0.18 0.04 0.00 0.35 0.00 0.00 39.48 40.05 1xo3 n PHE 57 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1xo3 s ILE 58 N -0.18 3.86 0.55 -2.13 -4.36 -1.26 -4.74 121.20 112.95 1xo3 s ILE 58 Ca 0.19 0.60 -0.21 0.00 -0.26 0.00 0.00 60.65 60.97 1xo3 s ILE 58 Cb -0.01 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.06 1xo3 s ILE 58 CO 0.12 -0.79 1.30 0.00 0.24 0.00 0.00 174.94 175.81 1xo3 s GLN 59 N -5.30 3.12 0.00 0.37 -2.07 -1.26 -4.74 119.66 109.79 1xo3 s GLN 59 Ca 0.57 2.09 0.00 0.00 -1.82 0.00 0.00 55.36 56.20 1xo3 s GLN 59 Cb -0.11 -2.18 0.00 0.00 -1.09 0.00 0.00 33.01 29.63 1xo3 s GLN 59 CO 0.52 -1.16 1.70 0.41 -1.32 0.00 0.00 175.29 175.45 1xo3 n GLY 60 N 0.68 2.20 1.12 2.60 0.00 -1.26 -3.17 105.19 107.36 1xo3 n GLY 60 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1xo3 n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xo3 n ASP 61 N 1.56 0.50 0.00 1.61 9.92 -1.26 -4.98 116.55 123.89 1xo3 n ASP 61 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xo3 n ASP 61 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1xo3 n ASP 61 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1xo3 n SER 62 N -2.48 0.00 -3.62 -2.24 2.88 -1.19 -4.40 113.62 102.57 1xo3 n SER 62 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1xo3 n SER 62 Cb 0.21 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.64 1xo3 n SER 62 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xo3 s VAL 63 N -0.05 0.06 0.63 2.46 -7.23 -1.26 -4.72 120.40 110.28 1xo3 s VAL 63 Ca 0.00 -0.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.59 1xo3 s VAL 63 Cb 0.00 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.83 1xo3 s VAL 63 CO 0.00 -0.28 0.96 0.00 -0.31 0.00 0.00 175.10 175.47 1xo3 s ARG 64 N -3.61 2.83 0.60 4.82 1.70 -1.26 -4.22 118.95 119.81 1xo3 s ARG 64 Ca 0.02 0.07 0.29 0.00 -0.47 0.00 0.00 55.73 55.64 1xo3 s ARG 64 Cb 0.01 -2.20 1.60 0.00 -0.57 0.00 0.00 34.95 33.79 1xo3 s ARG 64 CO -0.11 -0.83 2.00 -1.35 -1.08 0.00 0.00 175.30 173.93 1xo3 h PRO 65 N -0.33 0.00 0.29 3.89 0.11 -2.01 -2.58 132.00 131.36 1xo3 h PRO 65 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1xo3 h PRO 65 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xo3 h PRO 65 CO 0.61 0.00 -0.14 0.78 -0.21 0.00 0.00 178.00 179.04 1xo3 h GLY 66 N 0.00 -0.41 -7.38 -0.55 0.00 -1.95 -3.43 103.07 89.36 1xo3 h GLY 66 Ca 0.12 0.15 -0.63 0.00 0.00 0.00 0.00 47.33 46.98 1xo3 h GLY 66 CO -0.00 -0.15 -0.49 -0.42 0.00 0.00 0.00 176.54 175.48 1xo3 s ILE 67 N -4.76 5.33 -0.18 2.60 1.01 -0.97 -0.38 121.20 123.85 1xo3 s ILE 67 Ca -0.14 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1xo3 s ILE 67 Cb 0.02 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1xo3 s ILE 67 CO 0.56 0.30 0.06 -0.76 0.00 0.00 0.00 174.94 175.09 1xo3 s LEU 68 N 1.38 3.78 0.04 2.97 1.43 0.18 -4.11 118.68 124.35 1xo3 s LEU 68 Ca 0.08 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 1xo3 s LEU 68 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1xo3 s LEU 68 CO 0.07 0.18 -0.09 0.68 0.23 0.00 0.00 176.35 177.42 1xo3 s VAL 69 N 0.35 3.43 -0.20 -1.59 -7.23 -1.25 0.31 120.40 114.22 1xo3 s VAL 69 Ca 0.03 -0.99 -0.20 0.00 -1.81 0.00 0.00 61.98 59.00 1xo3 s VAL 69 Cb -0.12 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1xo3 s VAL 69 CO 0.00 0.30 0.60 -0.76 -0.31 0.00 0.00 175.10 174.93 1xo3 s LEU 70 N -1.67 4.14 -0.44 1.32 1.43 -0.22 -2.55 118.68 120.69 1xo3 s LEU 70 Ca 0.18 0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 53.85 1xo3 s LEU 70 Cb -0.11 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.30 1xo3 s LEU 70 CO 0.09 -0.25 0.70 -0.63 0.23 0.00 0.00 176.35 176.50 1xo3 s ILE 71 N 1.84 4.75 0.00 -0.59 -1.09 0.52 -1.63 121.20 125.00 1xo3 s ILE 71 Ca 0.27 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1xo3 s ILE 71 Cb -0.16 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1xo3 s ILE 71 CO 0.10 -0.65 0.00 -3.20 -1.23 0.00 0.00 174.94 169.96 1xo3 n ASN 72 N 6.46 0.00 0.00 3.58 2.85 -0.71 -1.76 115.26 125.68 1xo3 n ASN 72 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1xo3 n ASN 72 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1xo3 n ASP 73 N 3.07 0.00 -4.00 1.20 2.03 -1.25 -2.99 116.55 114.61 1xo3 n ASP 73 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 1xo3 n ASP 73 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1xo3 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xo3 s ALA 74 N 0.00 1.78 -0.25 -1.67 0.00 -0.72 -5.00 121.76 115.90 1xo3 s ALA 74 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 1xo3 s ALA 74 Cb 0.00 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.31 1xo3 s ALA 74 CO 0.00 -0.53 1.82 -0.51 0.00 0.00 0.00 175.76 176.53 1xo3 s ASP 75 N -3.33 6.03 0.21 0.00 1.01 -1.26 -0.35 116.67 118.98 1xo3 s ASP 75 Ca 0.37 1.61 -0.13 0.00 0.71 0.00 0.00 52.55 55.10 1xo3 s ASP 75 Cb 0.05 -2.53 0.24 0.00 1.01 0.00 0.00 42.92 41.70 1xo3 s ASP 75 CO 0.17 -1.54 1.62 4.11 0.21 0.00 0.00 175.17 179.74 1xo3 h TRP 76 N 12.31 -0.35 0.00 4.23 0.09 -1.83 -2.42 115.95 127.99 1xo3 h TRP 76 Ca -0.36 0.06 -0.04 0.00 0.09 0.00 0.00 58.89 58.64 1xo3 h TRP 76 Cb 1.18 0.25 -0.01 0.00 0.08 0.00 0.00 29.16 30.67 1xo3 h TRP 76 CO 0.94 -0.28 -0.19 1.05 0.09 0.00 0.00 178.44 180.05 1xo3 h GLU 77 N -0.00 0.00 -0.00 0.12 4.11 -1.90 0.11 114.58 117.02 1xo3 h GLU 77 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1xo3 h GLU 77 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xo3 h GLU 77 CO -0.67 0.19 -0.37 1.28 0.07 0.00 0.00 179.01 179.52 1xo3 n LEU 78 N -4.14 0.50 -0.06 3.06 4.77 -0.93 -4.07 117.00 116.13 1xo3 n LEU 78 Ca -0.02 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 1xo3 n LEU 78 Cb 0.26 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1xo3 n LEU 78 CO 0.35 0.11 -0.93 0.18 -1.33 0.00 0.00 177.39 175.78 1xo3 n LEU 79 N -1.34 0.11 0.00 2.23 4.32 -0.04 -5.01 117.00 117.27 1xo3 n LEU 79 Ca 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1xo3 n LEU 79 Cb 0.33 0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1xo3 n LEU 79 CO 0.32 0.34 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1xo3 n GLY 80 N 2.22 0.83 7.00 -0.72 0.00 0.11 -5.07 105.19 109.56 1xo3 n GLY 80 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1xo3 n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xo3 n GLU 81 N 0.00 0.00 -0.37 1.61 0.28 0.15 -2.68 120.64 119.64 1xo3 n GLU 81 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1xo3 n GLU 81 Cb 0.00 0.00 0.07 0.00 1.43 0.00 0.00 31.44 32.94 1xo3 n GLU 81 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 1xo3 h LEU 82 N 0.00 -1.26 -6.60 -1.84 -0.00 -1.88 -2.94 115.31 100.78 1xo3 h LEU 82 Ca 0.00 0.30 -0.79 0.00 -0.00 0.00 0.00 57.88 57.39 1xo3 h LEU 82 Cb 0.00 0.70 -0.23 0.00 -0.00 0.00 0.00 40.66 41.13 1xo3 h LEU 82 CO 0.00 -0.30 1.30 -0.67 -0.00 0.00 0.00 178.44 178.77 1xo3 n ASP 83 N -5.52 6.28 -4.43 0.17 2.03 -1.09 -0.33 116.55 113.67 1xo3 n ASP 83 Ca 0.12 -3.34 -0.35 0.00 0.52 0.00 0.00 54.79 51.74 1xo3 n ASP 83 Cb 0.43 -1.32 -0.13 0.00 -0.72 0.00 0.00 41.12 39.37 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1xo3 s TYR 84 N -1.95 3.01 -0.63 -0.67 2.02 -1.11 -4.95 117.35 113.06 1xo3 s TYR 84 Ca 0.36 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1xo3 s TYR 84 Cb 0.09 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1xo3 s TYR 84 CO 0.04 -0.26 0.56 0.00 -1.57 0.00 0.00 175.55 174.32 1xo3 n GLN 85 N 4.20 0.82 -1.57 -0.62 -0.00 -1.26 -3.79 117.38 115.15 1xo3 n GLN 85 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.83 1xo3 n GLN 85 Cb 0.52 -1.29 0.00 0.00 -0.00 0.00 0.00 30.24 29.47 1xo3 n GLN 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1xo3 n LEU 86 N 0.27 -1.60 -4.44 2.61 7.99 -1.26 -4.97 117.00 115.61 1xo3 n LEU 86 Ca 0.00 2.71 -0.27 0.00 -0.01 0.00 0.00 56.01 58.44 1xo3 n LEU 86 Cb 0.28 -3.13 -0.12 0.00 -0.11 0.00 0.00 43.42 40.34 1xo3 n LEU 86 CO 0.00 -0.78 -0.52 -1.10 -1.51 0.00 0.00 177.39 173.48 1xo3 s GLN 87 N -5.35 1.57 0.26 3.23 1.11 -1.26 -5.08 119.66 114.14 1xo3 s GLN 87 Ca 0.00 -1.46 -0.30 0.00 0.01 0.00 0.00 55.36 53.60 1xo3 s GLN 87 Cb 0.00 -1.90 -0.11 0.00 -1.01 0.00 0.00 33.01 30.00 1xo3 s GLN 87 CO 0.00 0.41 1.56 0.16 0.01 0.00 0.00 175.29 177.43 1xo3 s ASP 88 N -2.59 6.47 -1.70 5.90 -4.77 -1.26 -1.73 116.67 116.98 1xo3 s ASP 88 Ca 0.20 2.84 -0.00 0.00 -3.30 0.00 0.00 52.55 52.29 1xo3 s ASP 88 Cb -0.08 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1xo3 s ASP 88 CO 0.10 -0.85 0.01 0.00 0.70 0.00 0.00 175.17 175.13 1xo3 n GLN 89 N 2.48 -1.78 -1.61 2.11 3.00 -0.08 -4.89 117.38 116.61 1xo3 n GLN 89 Ca 0.09 0.97 -0.47 0.00 -0.01 0.00 0.00 57.00 57.58 1xo3 n GLN 89 Cb 0.38 -5.63 -0.05 0.00 0.00 0.00 0.00 30.24 24.95 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1xo3 n ASP 90 N -2.00 3.21 -4.42 1.08 8.00 -0.71 -4.80 116.55 116.92 1xo3 n ASP 90 Ca -0.24 0.63 -0.44 0.00 0.71 0.00 0.00 54.79 55.46 1xo3 n ASP 90 Cb 0.68 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.33 1xo3 n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xo3 s SER 91 N 5.99 6.38 -0.47 -2.24 0.01 -1.16 -0.34 113.70 121.88 1xo3 s SER 91 Ca 0.98 -1.60 -0.22 0.00 1.31 0.00 0.00 55.95 56.42 1xo3 s SER 91 Cb -0.60 -2.37 0.03 0.00 0.21 0.00 0.00 66.02 63.30 1xo3 s SER 91 CO 0.45 -1.17 0.72 -0.63 0.41 0.00 0.00 173.24 173.02 1xo3 s ILE 92 N 2.96 4.73 -0.19 1.44 -1.09 0.22 -1.74 121.20 127.53 1xo3 s ILE 92 Ca 0.23 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 1xo3 s ILE 92 Cb -0.14 -4.29 0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1xo3 s ILE 92 CO 0.01 -0.73 -0.18 -0.22 -1.23 0.00 0.00 174.94 172.59 1xo3 s LEU 93 N 3.06 2.32 -0.37 2.97 0.20 -0.65 -0.84 118.68 125.37 1xo3 s LEU 93 Ca 0.24 -0.77 -0.25 0.00 0.69 0.00 0.00 54.13 54.05 1xo3 s LEU 93 Cb -0.14 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 1xo3 s LEU 93 CO 0.19 -0.04 0.87 -0.36 -0.29 0.00 0.00 176.35 176.72 1xo3 s PHE 94 N 1.27 3.08 -0.39 5.38 0.40 -0.83 -1.05 117.98 125.84 1xo3 s PHE 94 Ca 0.03 0.65 -0.05 0.00 -0.60 0.00 0.00 56.93 56.96 1xo3 s PHE 94 Cb -0.14 -3.57 0.09 0.00 0.51 0.00 0.00 43.02 39.90 1xo3 s PHE 94 CO -0.11 -0.81 0.17 0.42 0.70 0.00 0.00 175.22 175.59 1xo3 s ILE 95 N 3.34 3.52 -0.31 0.64 -1.09 0.15 -0.79 121.20 126.65 1xo3 s ILE 95 Ca 0.35 -1.69 -0.29 0.00 -2.23 0.00 0.00 60.65 56.79 1xo3 s ILE 95 Cb -0.12 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1xo3 s ILE 95 CO 0.18 -0.49 1.31 -0.55 -1.23 0.00 0.00 174.94 174.16 1xo3 s SER 96 N 1.78 6.65 0.00 3.58 0.15 -1.25 0.52 113.70 125.12 1xo3 s SER 96 Ca 0.03 1.17 0.20 0.00 0.70 0.00 0.00 55.95 58.05 1xo3 s SER 96 Cb -0.22 -2.54 0.58 0.00 -1.71 0.00 0.00 66.02 62.13 1xo3 s SER 96 CO -0.01 -1.11 1.46 1.07 1.20 0.00 0.00 173.24 175.85 1xo3 n THR 97 N 6.27 0.38 -1.72 6.45 5.66 0.49 -4.56 114.28 127.26 1xo3 n THR 97 Ca 0.15 -0.51 -0.31 0.00 -3.05 0.00 0.00 64.05 60.33 1xo3 n THR 97 Cb 0.47 0.51 0.04 0.00 -1.55 0.00 0.00 70.33 69.79 1xo3 n THR 97 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1xo3 s LEU 98 N -1.41 3.23 -0.45 1.09 1.43 -1.25 -4.46 118.68 116.85 1xo3 s LEU 98 Ca 0.33 1.63 -0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1xo3 s LEU 98 Cb 0.18 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1xo3 s LEU 98 CO 0.26 -1.30 0.48 1.41 0.23 0.00 0.00 176.35 177.43 1xo3 n HIS 99 N -2.83 -2.31 -0.01 0.29 8.25 -1.26 -4.99 115.22 112.36 1xo3 n HIS 99 Ca 0.08 0.90 0.04 0.00 -0.26 0.00 0.00 57.72 58.48 1xo3 n HIS 99 Cb 0.53 -3.39 -0.08 0.00 1.12 0.00 0.00 29.99 28.18 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xo3 n GLY 100 N -1.08 -0.48 0.00 -1.41 0.00 -1.26 -5.21 105.19 95.75 1xo3 n GLY 100 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93