#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f93 s ARG 7 N 0.00 4.19 -0.37 -1.40 3.52 -1.26 -3.48 118.95 120.16 1f93 s ARG 7 Ca 0.00 2.27 -0.29 0.00 -0.13 0.00 0.00 55.73 57.58 1f93 s ARG 7 Cb 0.00 -3.79 -0.08 0.00 -1.56 0.00 0.00 34.95 29.52 1f93 s ARG 7 CO 0.00 -0.78 2.30 1.28 -0.81 0.00 0.00 175.30 177.29 1f93 n LEU 8 N 6.31 2.58 -4.73 -0.88 4.77 -0.79 -4.93 117.00 119.34 1f93 n LEU 8 Ca 0.16 0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.84 1f93 n LEU 8 Cb 0.42 -1.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.12 1f93 n LEU 8 CO 0.63 -0.96 0.82 -0.55 -1.33 0.00 0.00 177.39 175.99 1f93 s SER 9 N 9.28 4.36 0.56 -1.43 0.15 -1.26 -4.36 113.70 121.00 1f93 s SER 9 Ca 1.04 2.39 0.51 0.00 0.70 0.00 0.00 55.95 60.58 1f93 s SER 9 Cb -0.45 -2.59 1.74 0.00 -1.71 0.00 0.00 66.02 63.01 1f93 s SER 9 CO 0.36 -2.15 1.57 0.00 1.20 0.00 0.00 173.24 174.22 1f93 n ALA 10 N -2.50 1.91 -0.09 5.45 0.00 -1.26 0.23 120.51 124.25 1f93 n ALA 10 Ca 0.14 0.66 -0.13 0.00 0.00 0.00 0.00 53.44 54.11 1f93 n ALA 10 Cb 0.50 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 1f93 n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1f93 h GLU 11 N 0.00 0.68 -0.17 0.00 5.08 -1.99 -2.21 114.58 115.97 1f93 h GLU 11 Ca 0.95 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.87 1f93 h GLU 11 Cb 3.80 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 33.05 1f93 h GLU 11 CO -0.02 0.95 -0.27 0.93 -1.00 0.00 0.00 179.01 179.60 1f93 h GLU 12 N 0.42 0.49 -0.94 2.33 5.08 0.26 -2.93 114.58 119.29 1f93 h GLU 12 Ca 0.05 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1f93 h GLU 12 Cb 0.81 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1f93 h GLU 12 CO 0.06 0.89 0.60 0.00 -1.00 0.00 0.00 179.01 179.57 1f93 h ARG 13 N 0.13 1.08 0.00 2.33 3.08 -1.17 0.11 114.38 119.94 1f93 h ARG 13 Ca 0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1f93 h ARG 13 Cb 0.85 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1f93 h ARG 13 CO 0.06 0.71 -0.11 0.22 -1.07 0.00 0.00 179.97 179.79 1f93 h ASP 14 N 1.11 0.00 -0.01 7.04 1.82 -1.34 -1.74 116.42 123.31 1f93 h ASP 14 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 1f93 h ASP 14 Cb 0.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1f93 h ASP 14 CO -0.16 0.11 -0.35 0.00 -1.61 0.00 0.00 179.24 177.23 1f93 n GLN 15 N -3.63 2.39 -0.03 0.28 1.13 -0.50 -4.65 117.38 112.37 1f93 n GLN 15 Ca -0.02 -0.44 -0.03 0.00 -1.94 0.00 0.00 57.00 54.56 1f93 n GLN 15 Cb 0.23 -1.11 -0.03 0.00 0.11 0.00 0.00 30.24 29.44 1f93 n GLN 15 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1f93 n LEU 16 N -0.57 1.50 -0.10 1.08 4.77 0.25 -4.78 117.00 119.15 1f93 n LEU 16 Ca 0.04 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1f93 n LEU 16 Cb 0.23 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1f93 n LEU 16 CO 0.18 0.36 0.53 -0.07 -1.33 0.00 0.00 177.39 177.06 1f93 h LEU 17 N 0.00 0.97 -0.70 2.23 3.38 -1.51 -3.35 115.31 116.33 1f93 h LEU 17 Ca -0.13 -0.46 0.14 0.00 0.09 0.00 0.00 57.88 57.52 1f93 h LEU 17 Cb 1.26 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 1f93 h LEU 17 CO -0.01 1.25 -0.21 -0.65 0.09 0.00 0.00 178.44 178.91 1f93 h PRO 18 N 0.73 -0.03 -0.41 1.13 0.11 -1.83 0.43 132.00 132.13 1f93 h PRO 18 Ca 0.05 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.17 1f93 h PRO 18 Cb 1.01 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1f93 h PRO 18 CO 0.10 -0.02 0.27 -0.91 -0.21 0.00 0.00 178.00 177.23 1f93 h ASN 19 N -0.03 0.46 0.22 -2.05 2.35 -1.90 1.78 115.58 116.42 1f93 h ASN 19 Ca 0.32 -0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.77 1f93 h ASN 19 Cb 0.53 -0.11 0.03 0.00 0.05 0.00 0.00 38.32 38.82 1f93 h ASN 19 CO -0.74 0.33 -1.31 -0.07 -1.65 0.00 0.00 177.43 174.00 1f93 h LEU 20 N 0.54 0.76 -0.46 1.61 3.38 -1.29 -3.13 115.31 116.73 1f93 h LEU 20 Ca 0.15 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.18 1f93 h LEU 20 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1f93 h LEU 20 CO -0.03 1.63 0.22 -0.09 0.09 0.00 0.00 178.44 180.26 1f93 h ARG 21 N 0.02 0.67 0.00 1.13 9.65 0.31 -0.12 114.38 126.04 1f93 h ARG 21 Ca -0.23 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1f93 h ARG 21 Cb 2.03 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.49 1f93 h ARG 21 CO 0.25 0.57 0.00 0.00 2.80 0.00 0.00 179.97 183.58 1f93 n ALA 22 N -2.30 2.02 0.00 2.80 0.00 0.60 -2.28 120.51 121.35 1f93 n ALA 22 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f93 n ALA 22 Cb 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1f93 n ALA 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1f93 n VAL 23 N -0.55 0.00 0.00 0.00 0.31 -0.15 -5.00 118.33 112.94 1f93 n VAL 23 Ca 0.01 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1f93 n VAL 23 Cb 0.01 0.97 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 1f93 n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f93 n GLY 24 N 0.73 1.00 3.80 2.92 0.00 -0.79 -5.08 105.19 107.78 1f93 n GLY 24 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1f93 n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1f93 s TRP 25 N -1.26 3.36 0.03 1.61 0.52 -0.66 -4.71 118.94 117.83 1f93 s TRP 25 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 56.10 57.78 1f93 s TRP 25 Cb 0.00 -2.95 -0.02 0.00 -1.15 0.00 0.00 33.47 29.35 1f93 s TRP 25 CO 0.00 -0.22 -0.04 -0.80 0.02 0.00 0.00 176.95 175.91 1f93 s ASN 26 N -1.89 0.41 -0.05 2.95 0.01 -0.46 -4.21 114.94 111.69 1f93 s ASN 26 Ca 0.59 -0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 51.89 1f93 s ASN 26 Cb -0.15 0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.58 1f93 s ASN 26 CO 0.19 -0.30 1.04 -1.61 -1.51 0.00 0.00 177.10 174.91 1f93 s GLU 27 N -1.69 4.46 0.27 -0.60 2.02 -1.26 0.12 118.70 122.02 1f93 s GLU 27 Ca -0.13 1.46 -0.30 0.00 0.02 0.00 0.00 54.97 56.03 1f93 s GLU 27 Cb -0.09 -3.51 -0.10 0.00 0.10 0.00 0.00 34.13 30.54 1f93 s GLU 27 CO -0.01 -0.25 1.35 -1.17 0.02 0.00 0.00 175.26 175.20 1f93 s LEU 28 N 1.66 4.41 -0.29 1.80 2.96 1.00 -4.91 118.68 125.31 1f93 s LEU 28 Ca 0.51 2.60 -0.29 0.00 -0.22 0.00 0.00 54.13 56.73 1f93 s LEU 28 Cb -0.21 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1f93 s LEU 28 CO 0.22 -0.58 1.23 -1.61 -1.32 0.00 0.00 176.35 174.29 1f93 s GLU 29 N -0.83 3.99 0.00 1.98 2.02 -1.26 -3.28 118.70 121.31 1f93 s GLU 29 Ca 0.55 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.77 1f93 s GLU 29 Cb -0.39 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1f93 s GLU 29 CO 0.45 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 175.12 1f93 n GLY 30 N 4.12 1.03 0.00 -1.39 0.00 -1.26 -5.07 105.19 102.61 1f93 n GLY 30 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1f93 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1f93 n ARG 31 N -1.99 0.00 -1.55 1.61 0.63 -1.20 -5.07 116.66 109.09 1f93 n ARG 31 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1f93 n ARG 31 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 1f93 n ARG 31 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1f93 n ASP 32 N 0.00 1.44 -3.47 6.15 4.64 -1.26 -4.21 116.55 119.84 1f93 n ASP 32 Ca 0.00 -1.40 -0.10 0.00 -1.38 0.00 0.00 54.79 51.91 1f93 n ASP 32 Cb 0.00 -1.54 -0.02 0.00 -1.04 0.00 0.00 41.12 38.52 1f93 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1f93 s ALA 33 N 13.28 -1.73 0.14 -1.67 0.00 -1.26 -4.24 121.76 126.28 1f93 s ALA 33 Ca 0.97 0.81 0.09 0.00 0.00 0.00 0.00 51.96 53.82 1f93 s ALA 33 Cb -0.21 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1f93 s ALA 33 CO 0.14 -0.71 -0.13 0.96 0.00 0.00 0.00 175.76 176.01 1f93 s ILE 34 N -3.32 3.08 0.07 0.00 -4.36 -0.85 -0.00 121.20 115.81 1f93 s ILE 34 Ca 0.03 -1.53 -0.05 0.00 -0.26 0.00 0.00 60.65 58.84 1f93 s ILE 34 Cb -0.01 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 1f93 s ILE 34 CO -0.10 0.01 0.08 0.72 0.24 0.00 0.00 174.94 175.89 1f93 s PHE 35 N -1.40 0.32 -0.28 1.37 -0.12 0.12 -0.88 117.98 117.10 1f93 s PHE 35 Ca 0.22 -0.80 -0.16 0.00 -0.05 0.00 0.00 56.93 56.14 1f93 s PHE 35 Cb -0.10 -0.21 0.10 0.00 -0.63 0.00 0.00 43.02 42.17 1f93 s PHE 35 CO 0.13 -0.46 0.75 0.21 -0.05 0.00 0.00 175.22 175.80 1f93 s LYS 36 N -3.82 0.63 0.04 1.99 2.20 -0.63 -1.36 119.74 118.80 1f93 s LYS 36 Ca 0.05 1.12 -0.26 0.00 -0.36 0.00 0.00 55.97 56.53 1f93 s LYS 36 Cb 0.06 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1f93 s LYS 36 CO -0.10 -0.14 0.79 -1.14 -0.36 0.00 0.00 175.35 174.40 1f93 s GLN 37 N 1.65 4.52 0.06 4.03 2.00 -1.26 -2.13 119.66 128.53 1f93 s GLN 37 Ca -0.10 1.11 0.09 0.00 -2.00 0.00 0.00 55.36 54.47 1f93 s GLN 37 Cb -0.05 -3.38 -0.03 0.00 0.80 0.00 0.00 33.01 30.35 1f93 s GLN 37 CO -0.19 0.24 -0.25 -0.06 -0.50 0.00 0.00 175.29 174.54 1f93 s PHE 38 N 0.06 2.36 -0.03 1.67 0.08 0.35 -4.99 117.98 117.49 1f93 s PHE 38 Ca 0.40 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.10 1f93 s PHE 38 Cb -0.21 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1f93 s PHE 38 CO 0.24 0.20 -0.08 -1.01 -0.10 0.00 0.00 175.22 174.47 1f93 s HIS 39 N -0.89 0.87 0.16 0.36 3.76 -1.26 -1.23 115.29 117.05 1f93 s HIS 39 Ca 0.13 -0.22 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1f93 s HIS 39 Cb -0.10 -0.64 -0.00 0.00 1.11 0.00 0.00 32.58 32.94 1f93 s HIS 39 CO 0.04 -0.11 0.04 1.19 -0.85 0.00 0.00 174.74 175.04 1f93 n PHE 40 N 3.42 0.15 -0.08 1.40 3.01 -0.04 -5.02 117.46 120.29 1f93 n PHE 40 Ca -0.19 -0.93 -0.11 0.00 1.01 0.00 0.00 57.45 57.23 1f93 n PHE 40 Cb 0.54 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.94 1f93 n PHE 40 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1f93 h LYS 41 N 0.00 0.43 -3.29 -1.08 5.09 -1.96 -3.46 116.57 112.29 1f93 h LYS 41 Ca -0.12 -0.12 -0.09 0.00 0.09 0.00 0.00 60.65 60.40 1f93 h LYS 41 Cb 0.44 -0.05 -0.02 0.00 0.10 0.00 0.00 32.23 32.71 1f93 h LYS 41 CO 0.20 0.57 0.16 0.16 -2.09 0.00 0.00 179.45 178.44 1f93 s ASP 42 N -5.88 0.28 0.19 7.07 1.47 -1.26 -4.92 116.67 113.61 1f93 s ASP 42 Ca -0.14 -1.27 -0.12 0.00 1.18 0.00 0.00 52.55 52.20 1f93 s ASP 42 Cb 0.08 0.81 0.17 0.00 -0.34 0.00 0.00 42.92 43.64 1f93 s ASP 42 CO 0.74 -1.61 1.78 0.15 0.68 0.00 0.00 175.17 176.91 1f93 h PHE 43 N 2.02 0.46 -0.41 2.11 3.57 -1.90 -1.03 116.94 121.76 1f93 h PHE 43 Ca -0.32 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.29 1f93 h PHE 43 Cb 1.25 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.77 1f93 h PHE 43 CO 1.47 0.21 -0.16 -0.91 -2.23 0.00 0.00 178.31 176.69 1f93 h ASN 44 N 0.49 -0.55 -0.10 0.41 2.35 -1.97 0.73 115.58 116.94 1f93 h ASN 44 Ca 0.24 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1f93 h ASN 44 Cb 0.18 0.32 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1f93 h ASN 44 CO -0.19 -0.19 0.05 0.03 -1.65 0.00 0.00 177.43 175.48 1f93 h ARG 45 N -0.07 0.14 -0.64 0.81 2.47 -1.85 0.04 114.38 115.27 1f93 h ARG 45 Ca 0.20 -0.02 0.11 0.00 -1.26 0.00 0.00 59.98 59.02 1f93 h ARG 45 Cb 0.38 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.59 1f93 h ARG 45 CO -0.47 0.22 0.20 0.00 0.56 0.00 0.00 179.97 180.48 1f93 h ALA 46 N 0.92 0.82 0.00 0.04 0.00 0.10 0.67 119.26 121.80 1f93 h ALA 46 Ca 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1f93 h ALA 46 Cb 0.12 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1f93 h ALA 46 CO -0.00 -0.25 -0.13 0.35 0.00 0.00 0.00 179.25 179.22 1f93 h PHE 47 N 0.35 0.00 -0.28 0.00 3.57 0.65 -2.92 116.94 118.31 1f93 h PHE 47 Ca 0.34 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 1f93 h PHE 47 Cb 0.48 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1f93 h PHE 47 CO -0.20 0.13 -0.23 0.78 -2.23 0.00 0.00 178.31 176.56 1f93 h GLY 48 N 3.22 0.71 -0.96 2.40 0.00 0.70 -0.65 103.07 108.48 1f93 h GLY 48 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1f93 h GLY 48 CO 0.02 0.63 0.00 0.33 0.00 0.00 0.00 176.54 177.52 1f93 n PHE 49 N -4.33 0.00 0.00 5.60 7.35 0.06 -1.46 117.46 124.68 1f93 n PHE 49 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1f93 n PHE 49 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1f93 n PHE 49 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1f93 n THR 51 N 0.43 0.00 0.02 -2.13 -1.04 -0.25 -1.38 114.28 109.93 1f93 n THR 51 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1f93 n THR 51 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1f93 n THR 51 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1f93 h ARG 52 N 0.00 -0.05 -0.85 -2.82 3.08 -1.52 -1.47 114.38 110.75 1f93 h ARG 52 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1f93 h ARG 52 Cb 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1f93 h ARG 52 CO 0.00 -0.04 0.55 0.28 -1.07 0.00 0.00 179.97 179.70 1f93 h VAL 53 N -0.06 1.06 -0.55 2.04 2.07 -1.49 -2.15 116.25 117.18 1f93 h VAL 53 Ca 0.04 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1f93 h VAL 53 Cb 0.11 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1f93 h VAL 53 CO -0.08 0.17 0.32 0.00 0.02 0.00 0.00 177.57 178.00 1f93 h ALA 54 N 1.54 0.70 -0.89 1.67 0.00 -1.61 -0.09 119.26 120.57 1f93 h ALA 54 Ca 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1f93 h ALA 54 Cb 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1f93 h ALA 54 CO -0.13 0.19 0.49 -0.07 0.00 0.00 0.00 179.25 179.73 1f93 h LEU 55 N 0.74 1.12 -0.60 0.00 3.38 -0.65 -1.53 115.31 117.76 1f93 h LEU 55 Ca 0.20 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1f93 h LEU 55 Cb 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1f93 h LEU 55 CO -0.03 0.90 -0.48 -0.61 0.09 0.00 0.00 178.44 178.31 1f93 h GLN 56 N 1.25 0.54 -0.50 1.13 5.75 -1.16 -2.66 115.11 119.46 1f93 h GLN 56 Ca 0.31 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1f93 h GLN 56 Cb 0.03 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1f93 h GLN 56 CO -0.05 0.90 0.33 0.00 -2.65 0.00 0.00 178.83 177.37 1f93 h ALA 57 N 1.04 1.69 -0.11 3.38 0.00 -0.28 -0.47 119.26 124.50 1f93 h ALA 57 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1f93 h ALA 57 Cb 1.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1f93 h ALA 57 CO 0.09 0.27 -0.03 1.49 0.00 0.00 0.00 179.25 181.07 1f93 h GLU 58 N 0.64 0.22 -0.27 0.00 4.81 -0.98 0.48 114.58 119.49 1f93 h GLU 58 Ca 0.19 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1f93 h GLU 58 Cb -0.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1f93 h GLU 58 CO -0.05 0.53 0.13 0.87 -0.73 0.00 0.00 179.01 179.76 1f93 h LYS 59 N -0.10 0.37 0.00 1.92 1.57 -1.08 -1.66 116.57 117.59 1f93 h LYS 59 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f93 h LYS 59 Cb 0.45 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1f93 h LYS 59 CO 0.01 0.29 -0.87 -0.07 -0.57 0.00 0.00 179.45 178.24 1f93 h LEU 60 N 0.37 0.00 2.21 2.94 3.38 -0.99 -3.47 115.31 119.75 1f93 h LEU 60 Ca 0.10 -0.04 -0.33 0.00 0.09 0.00 0.00 57.88 57.69 1f93 h LEU 60 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1f93 h LEU 60 CO -0.01 0.02 -0.43 -0.67 0.09 0.00 0.00 178.44 177.44 1f93 n ASP 61 N -2.60 -4.92 -3.95 -0.43 2.03 0.16 -4.98 116.55 101.86 1f93 n ASP 61 Ca 0.01 -0.03 -0.21 0.00 0.52 0.00 0.00 54.79 55.07 1f93 n ASP 61 Cb 0.53 -4.00 -0.16 0.00 -0.72 0.00 0.00 41.12 36.77 1f93 n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1f93 s HIS 62 N -2.84 0.97 0.08 -0.67 2.46 -0.57 -5.02 115.29 109.68 1f93 s HIS 62 Ca 0.02 -0.29 0.09 0.00 0.47 0.00 0.00 55.06 55.35 1f93 s HIS 62 Cb -0.01 -0.76 -0.03 0.00 -0.13 0.00 0.00 32.58 31.65 1f93 s HIS 62 CO 0.03 -0.19 -0.24 -1.01 -2.47 0.00 0.00 174.74 170.86 1f93 s HIS 63 N 0.65 2.12 0.59 3.88 3.76 -1.26 -4.41 115.29 120.61 1f93 s HIS 63 Ca -0.10 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.31 1f93 s HIS 63 Cb -0.13 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 1f93 s HIS 63 CO 0.01 0.19 0.97 -1.25 -0.85 0.00 0.00 174.74 173.81 1f93 s PRO 64 N -1.55 3.56 -0.59 8.40 0.04 -1.26 -4.84 135.00 138.77 1f93 s PRO 64 Ca 0.11 0.61 -0.10 0.00 0.04 0.00 0.00 61.00 61.65 1f93 s PRO 64 Cb -0.10 -2.15 0.15 0.00 0.04 0.00 0.00 34.50 32.45 1f93 s PRO 64 CO 0.03 -0.50 0.48 -1.21 0.04 0.00 0.00 177.00 175.84 1f93 s GLU 65 N -5.08 2.82 0.10 4.56 2.02 -0.08 -4.98 118.70 118.07 1f93 s GLU 65 Ca 0.53 -2.03 0.09 0.00 0.02 0.00 0.00 54.97 53.58 1f93 s GLU 65 Cb -0.11 -4.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 1f93 s GLU 65 CO 0.52 -1.24 -0.23 1.67 0.02 0.00 0.00 175.26 176.00 1f93 s TRP 66 N 0.91 1.95 -0.08 1.61 -2.14 -1.26 -0.43 118.94 119.50 1f93 s TRP 66 Ca 0.10 -0.40 0.03 0.00 2.66 0.00 0.00 56.10 58.49 1f93 s TRP 66 Cb -0.22 -1.07 0.01 0.00 -3.10 0.00 0.00 33.47 29.08 1f93 s TRP 66 CO -0.02 0.23 -0.18 0.12 -2.66 0.00 0.00 176.95 174.44 1f93 s PHE 67 N -1.10 1.97 -0.05 1.66 2.19 -0.25 -4.98 117.98 117.42 1f93 s PHE 67 Ca 0.09 -0.75 0.04 0.00 0.33 0.00 0.00 56.93 56.64 1f93 s PHE 67 Cb -0.10 -1.36 -0.00 0.00 -1.31 0.00 0.00 43.02 40.25 1f93 s PHE 67 CO 0.04 -0.32 -0.18 1.21 1.83 0.00 0.00 175.22 177.81 1f93 s ASN 68 N 0.44 2.24 -0.31 6.13 2.47 -1.26 -0.66 114.94 124.00 1f93 s ASN 68 Ca -0.15 -0.37 -0.02 0.00 0.42 0.00 0.00 52.86 52.73 1f93 s ASN 68 Cb -0.16 -0.70 0.10 0.00 -1.45 0.00 0.00 41.25 39.04 1f93 s ASN 68 CO 0.06 0.15 0.13 -0.69 -3.72 0.00 0.00 177.10 173.02 1f93 s VAL 69 N 0.12 0.32 0.00 -5.21 1.01 -0.13 -5.00 120.40 111.51 1f93 s VAL 69 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1f93 s VAL 69 Cb -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1f93 s VAL 69 CO 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 175.10 174.40 1f93 n TYR 70 N 4.98 0.00 0.63 5.22 9.36 -1.26 -1.28 117.16 134.81 1f93 n TYR 70 Ca -0.03 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.31 1f93 n TYR 70 Cb 0.41 0.00 0.17 0.00 -0.63 0.00 0.00 39.34 39.30 1f93 n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1f93 n ASN 71 N 9.07 3.23 -4.52 2.98 6.94 -1.26 -3.23 115.26 128.47 1f93 n ASN 71 Ca 0.00 -1.99 -0.35 0.00 -0.02 0.00 0.00 54.58 52.22 1f93 n ASN 71 Cb 0.00 -0.14 -0.12 0.00 -2.36 0.00 0.00 39.78 37.17 1f93 n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1f93 s LYS 72 N -1.72 3.77 -0.22 -3.83 1.02 -0.41 -0.87 119.74 117.49 1f93 s LYS 72 Ca 0.34 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.90 1f93 s LYS 72 Cb 0.22 -3.24 0.06 0.00 -0.52 0.00 0.00 37.83 34.34 1f93 s LYS 72 CO 0.31 0.03 -0.06 0.08 -0.92 0.00 0.00 175.35 174.78 1f93 s VAL 73 N 1.03 1.51 -0.26 3.17 1.01 -0.36 -0.96 120.40 125.55 1f93 s VAL 73 Ca 0.04 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1f93 s VAL 73 Cb -0.14 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1f93 s VAL 73 CO 0.03 -0.03 0.23 -2.28 0.00 0.00 0.00 175.10 173.04 1f93 s HIS 74 N 1.42 3.27 -0.08 5.22 2.46 0.16 -0.49 115.29 127.25 1f93 s HIS 74 Ca -0.04 0.25 0.03 0.00 0.47 0.00 0.00 55.06 55.76 1f93 s HIS 74 Cb -0.18 -2.38 -0.02 0.00 -0.13 0.00 0.00 32.58 29.87 1f93 s HIS 74 CO -0.07 -0.08 -0.16 0.42 -2.47 0.00 0.00 174.74 172.39 1f93 s ILE 75 N 1.52 2.88 -0.07 0.89 1.01 -0.91 -1.09 121.20 125.43 1f93 s ILE 75 Ca 0.10 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1f93 s ILE 75 Cb -0.15 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.19 1f93 s ILE 75 CO 0.08 0.56 -0.14 -0.89 0.00 0.00 0.00 174.94 174.56 1f93 s THR 76 N -0.22 1.27 -0.08 2.92 2.01 0.42 -1.60 115.64 120.36 1f93 s THR 76 Ca 0.00 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1f93 s THR 76 Cb -0.13 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1f93 s THR 76 CO 0.03 0.39 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.36 1f93 s LEU 77 N 0.66 2.17 0.00 4.42 1.43 -0.06 -0.90 118.68 126.41 1f93 s LEU 77 Ca -0.14 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1f93 s LEU 77 Cb -0.16 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.69 1f93 s LEU 77 CO 0.04 0.22 0.64 -1.54 0.23 0.00 0.00 176.35 175.94 1f93 n SER 78 N 3.15 -0.73 -0.02 2.29 3.41 -1.26 -2.02 113.62 118.44 1f93 n SER 78 Ca -0.18 -1.25 0.02 0.00 -0.26 0.00 0.00 58.87 57.20 1f93 n SER 78 Cb 0.52 1.16 0.03 0.00 -0.26 0.00 0.00 64.21 65.66 1f93 n SER 78 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f93 n THR 79 N -0.46 1.10 -2.30 6.66 -2.24 -1.18 -4.95 114.28 110.91 1f93 n THR 79 Ca 0.01 -1.17 -0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1f93 n THR 79 Cb 0.31 0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1f93 n THR 79 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1f93 n HIS 80 N -0.64 -2.82 -3.61 4.78 -0.00 -1.26 -3.96 115.22 107.71 1f93 n HIS 80 Ca 0.03 1.67 -0.25 0.00 0.46 0.00 0.00 57.72 59.63 1f93 n HIS 80 Cb 0.34 -2.68 -0.06 0.00 -0.12 0.00 0.00 29.99 27.48 1f93 n HIS 80 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1f93 n GLU 81 N 1.94 -0.88 -0.02 1.57 2.13 -1.26 -4.78 120.64 119.34 1f93 n GLU 81 Ca -0.04 0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.83 1f93 n GLU 81 Cb 0.06 -2.78 -0.01 0.00 0.27 0.00 0.00 31.44 28.98 1f93 n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1f93 n ALA 83 N -3.41 0.62 0.00 0.00 0.00 -1.26 -5.11 120.51 111.34 1f93 n ALA 83 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1f93 n ALA 83 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1f93 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f93 n GLY 84 N 0.00 0.97 3.21 0.00 0.00 -1.26 -4.81 105.19 103.30 1f93 n GLY 84 Ca 0.00 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1f93 n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f93 s LEU 85 N 0.00 2.65 0.44 0.99 1.43 -1.26 -3.10 118.68 119.83 1f93 s LEU 85 Ca 0.00 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1f93 s LEU 85 Cb 0.00 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1f93 s LEU 85 CO 0.00 -0.03 0.59 -0.94 0.23 0.00 0.00 176.35 176.19 1f93 s SER 86 N 1.37 5.55 0.61 2.29 1.04 -1.26 -1.89 113.70 121.40 1f93 s SER 86 Ca 0.04 -0.50 0.37 0.00 0.48 0.00 0.00 55.95 56.34 1f93 s SER 86 Cb -0.14 -0.52 1.98 0.00 0.10 0.00 0.00 66.02 67.44 1f93 s SER 86 CO -0.08 -0.83 2.24 -0.08 0.98 0.00 0.00 173.24 175.47 1f93 h GLU 87 N 0.60 0.00 -0.65 4.02 4.81 -1.96 -2.04 114.58 119.36 1f93 h GLU 87 Ca -0.39 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1f93 h GLU 87 Cb 1.28 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1f93 h GLU 87 CO 0.45 0.02 0.09 0.00 -0.73 0.00 0.00 179.01 178.85 1f93 h ARG 88 N 0.00 1.09 -0.70 1.92 3.08 -1.93 0.24 114.38 118.08 1f93 h ARG 88 Ca -0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1f93 h ARG 88 Cb 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1f93 h ARG 88 CO 0.00 1.01 0.40 -0.44 -1.07 0.00 0.00 179.97 179.88 1f93 h ASP 89 N 1.01 0.86 -0.37 7.04 3.32 -1.74 0.33 116.42 126.86 1f93 h ASP 89 Ca 0.20 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1f93 h ASP 89 Cb 0.46 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1f93 h ASP 89 CO 0.02 0.69 -0.01 0.40 -1.72 0.00 0.00 179.24 178.61 1f93 h ILE 90 N 0.96 1.26 0.39 0.35 1.08 -1.51 -0.51 117.51 119.52 1f93 h ILE 90 Ca 0.25 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 1f93 h ILE 90 Cb 0.00 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1f93 h ILE 90 CO -0.04 0.34 -0.25 0.78 -0.69 0.00 0.00 178.15 178.29 1f93 h ASN 91 N 0.48 -0.62 -0.94 1.72 2.35 -0.36 -1.23 115.58 116.98 1f93 h ASN 91 Ca 0.10 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1f93 h ASN 91 Cb 0.49 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 1f93 h ASN 91 CO 0.02 -0.39 0.62 0.25 -1.65 0.00 0.00 177.43 176.28 1f93 h LEU 92 N -0.61 1.04 -0.48 1.61 5.85 -0.33 -2.34 115.31 120.05 1f93 h LEU 92 Ca -0.04 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1f93 h LEU 92 Cb 0.50 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1f93 h LEU 92 CO 0.04 0.73 0.32 0.00 -0.34 0.00 0.00 178.44 179.18 1f93 h ALA 93 N 1.37 0.61 -0.50 1.25 0.00 -0.84 -0.35 119.26 120.80 1f93 h ALA 93 Ca 0.37 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1f93 h ALA 93 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1f93 h ALA 93 CO -0.11 0.05 0.30 0.77 0.00 0.00 0.00 179.25 180.27 1f93 h SER 94 N 0.65 0.49 -0.77 0.00 0.02 -0.80 -1.20 113.55 111.94 1f93 h SER 94 Ca 0.18 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1f93 h SER 94 Cb -0.07 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1f93 h SER 94 CO -0.04 0.35 0.30 0.15 -1.14 0.00 0.00 176.83 176.45 1f93 h PHE 95 N 0.61 1.18 -0.86 3.45 3.04 -1.10 -1.81 116.94 121.44 1f93 h PHE 95 Ca 0.20 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 62.08 1f93 h PHE 95 Cb 0.01 -0.35 -0.05 0.00 2.56 0.00 0.00 35.95 38.13 1f93 h PHE 95 CO -0.06 0.90 0.57 0.82 -2.02 0.00 0.00 178.31 178.51 1f93 h ILE 96 N 1.12 1.18 -0.37 1.41 2.04 -0.41 -1.87 117.51 120.60 1f93 h ILE 96 Ca 0.26 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 1f93 h ILE 96 Cb 0.23 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1f93 h ILE 96 CO -0.02 0.20 -0.27 -0.33 0.00 0.00 0.00 178.15 177.74 1f93 h GLU 97 N 1.12 0.76 -0.09 2.37 4.39 -0.72 0.87 114.58 123.28 1f93 h GLU 97 Ca 0.33 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1f93 h GLU 97 Cb -0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1f93 h GLU 97 CO -0.09 0.94 -0.13 1.96 -1.16 0.00 0.00 179.01 180.53 1f93 h GLN 98 N 0.66 0.14 0.20 2.33 4.20 -0.58 -0.15 115.11 121.90 1f93 h GLN 98 Ca 0.08 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.44 1f93 h GLN 98 Cb 0.79 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.56 1f93 h GLN 98 CO 0.06 0.28 -1.59 0.28 -0.67 0.00 0.00 178.83 177.20 1f93 h VAL 99 N 0.13 1.07 -0.80 -0.54 2.07 -1.11 -2.91 116.25 114.18 1f93 h VAL 99 Ca 0.03 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 1f93 h VAL 99 Cb 0.32 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.91 1f93 h VAL 99 CO 0.02 0.82 0.46 0.00 0.02 0.00 0.00 177.57 178.89 1f93 h ALA 100 N 0.10 1.31 0.19 1.67 0.00 -0.60 -3.25 119.26 118.69 1f93 h ALA 100 Ca -0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1f93 h ALA 100 Cb 2.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1f93 h ALA 100 CO 0.19 0.58 -0.09 -0.24 0.00 0.00 0.00 179.25 179.68 1f93 h VAL 101 N 1.10 0.00 0.00 0.00 3.04 -1.15 -3.20 116.25 116.04 1f93 h VAL 101 Ca 0.28 -0.51 -0.29 0.00 -1.01 0.00 0.00 66.70 65.18 1f93 h VAL 101 Cb -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.27 1f93 h VAL 101 CO -0.05 0.00 1.90 -1.20 -1.01 0.00 0.00 177.57 177.21 1f93 n SER 102 N -4.11 4.09 0.00 3.17 7.64 -1.10 -5.11 113.62 118.21 1f93 n SER 102 Ca -0.03 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1f93 n SER 102 Cb 0.10 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1f93 n SER 102 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44