#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkb n ASN 7 N 0.00 0.00 -1.20 6.55 5.03 -1.26 -3.09 115.26 121.28 3fkb n ASN 7 Ca 0.00 -1.09 0.10 0.00 0.87 0.00 0.00 54.58 54.46 3fkb n ASN 7 Cb 0.00 0.00 0.29 0.00 -1.02 0.00 0.00 39.78 39.05 3fkb n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3fkb n LYS 8 N -0.88 2.78 -1.74 3.52 5.02 -1.26 -3.47 118.16 122.14 3fkb n LYS 8 Ca 0.16 -2.54 -0.38 0.00 -2.02 0.00 0.00 58.31 53.54 3fkb n LYS 8 Cb 0.07 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3fkb n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3fkb n GLU 9 N 1.38 1.33 -4.15 1.97 2.13 -1.18 -4.70 120.64 117.42 3fkb n GLU 9 Ca 0.22 0.51 -0.15 0.00 0.66 0.00 0.00 57.16 58.39 3fkb n GLU 9 Cb 0.58 -2.56 -0.11 0.00 0.27 0.00 0.00 31.44 29.62 3fkb n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3fkb s ARG 10 N -3.21 0.77 0.04 5.31 0.52 -1.26 -1.12 118.95 120.00 3fkb s ARG 10 Ca 0.79 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 3fkb s ARG 10 Cb -0.39 -0.57 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 3fkb s ARG 10 CO 0.43 0.10 -0.05 -0.08 0.02 0.00 0.00 175.30 175.73 3fkb s THR 11 N -1.88 0.34 -0.17 0.02 -1.32 -0.45 -4.72 115.64 107.46 3fkb s THR 11 Ca -0.00 -1.29 -0.07 0.00 -1.21 0.00 0.00 61.69 59.12 3fkb s THR 11 Cb -0.06 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 3fkb s THR 11 CO 0.01 -0.62 0.06 0.12 -2.21 0.00 0.00 174.62 171.98 3fkb s PHE 12 N -2.26 3.27 -0.04 9.09 5.36 -1.26 -1.95 117.98 130.19 3fkb s PHE 12 Ca -0.05 0.12 0.04 0.00 -0.96 0.00 0.00 56.93 56.08 3fkb s PHE 12 Cb -0.04 -2.04 -0.00 0.00 -0.34 0.00 0.00 43.02 40.59 3fkb s PHE 12 CO -0.03 0.23 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.30 3fkb s LEU 13 N 0.14 1.90 -0.18 6.12 1.43 -0.10 -1.34 118.68 126.65 3fkb s LEU 13 Ca 0.05 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3fkb s LEU 13 Cb -0.12 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.24 3fkb s LEU 13 CO 0.01 0.14 -0.13 0.00 0.23 0.00 0.00 176.35 176.59 3fkb s ALA 14 N 0.03 2.01 -0.45 4.21 0.00 -0.52 -0.84 121.76 126.20 3fkb s ALA 14 Ca -0.03 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 50.56 3fkb s ALA 14 Cb -0.11 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.86 3fkb s ALA 14 CO 0.02 -0.59 0.99 0.08 0.00 0.00 0.00 175.76 176.26 3fkb s VAL 15 N 1.41 4.41 0.96 0.00 1.01 -0.14 -1.71 120.40 126.33 3fkb s VAL 15 Ca 0.02 0.98 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 3fkb s VAL 15 Cb -0.14 -4.47 0.16 0.00 0.00 0.00 0.00 36.38 31.93 3fkb s VAL 15 CO -0.10 -0.84 1.10 -0.54 0.00 0.00 0.00 175.10 174.73 3fkb s LYS 16 N 3.93 0.75 0.40 2.72 1.02 -0.07 -2.06 119.74 126.44 3fkb s LYS 16 Ca 0.41 0.51 0.21 0.00 0.02 0.00 0.00 55.97 57.12 3fkb s LYS 16 Cb -0.09 -1.78 1.20 0.00 -0.52 0.00 0.00 37.83 36.64 3fkb s LYS 16 CO 0.27 -2.51 1.70 -1.35 -0.92 0.00 0.00 175.35 172.53 3fkb h PRO 17 N -1.73 0.27 -0.36 -1.68 0.11 -1.84 0.14 132.00 126.91 3fkb h PRO 17 Ca -0.53 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.41 3fkb h PRO 17 Cb 1.32 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3fkb h PRO 17 CO 0.58 0.18 -0.39 0.38 -0.21 0.00 0.00 178.00 178.54 3fkb h ASP 18 N 0.28 0.96 -0.73 -2.05 2.03 -1.88 -0.58 116.42 114.45 3fkb h ASP 18 Ca 0.70 -0.48 -0.04 0.00 -0.73 0.00 0.00 57.03 56.48 3fkb h ASP 18 Cb 1.90 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 40.09 3fkb h ASP 18 CO -0.41 1.24 0.29 1.23 -1.03 0.00 0.00 179.24 180.56 3fkb h GLY 19 N 0.70 1.18 0.81 7.15 0.00 -0.88 -1.18 103.07 110.85 3fkb h GLY 19 Ca 0.05 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 3fkb h GLY 19 CO 0.10 0.61 -0.15 -2.08 0.00 0.00 0.00 176.54 175.02 3fkb h VAL 20 N 1.06 1.32 0.00 4.60 2.07 -1.16 -1.80 116.25 122.34 3fkb h VAL 20 Ca 0.24 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3fkb h VAL 20 Cb 0.22 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3fkb h VAL 20 CO -0.02 0.38 -0.14 0.00 0.02 0.00 0.00 177.57 177.82 3fkb h ALA 21 N 0.67 1.61 -0.33 1.67 0.00 -0.95 -1.98 119.26 119.95 3fkb h ALA 21 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fkb h ALA 21 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3fkb h ALA 21 CO 0.04 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.00 3fkb n ARG 22 N -4.14 1.91 -3.33 0.00 1.74 -0.46 -4.95 116.66 107.43 3fkb n ARG 22 Ca -0.02 -1.39 -0.18 0.00 -0.77 0.00 0.00 57.85 55.48 3fkb n ARG 22 Cb 0.22 -1.36 0.07 0.00 -1.02 0.00 0.00 32.46 30.37 3fkb n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fkb n GLY 23 N 1.16 -0.25 0.80 -0.13 0.00 -0.75 -4.95 105.19 101.09 3fkb n GLY 23 Ca 0.15 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.30 3fkb n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fkb n LEU 24 N -4.00 2.97 0.14 0.99 4.77 -0.69 -4.67 117.00 116.52 3fkb n LEU 24 Ca -0.06 -1.68 -0.14 0.00 -0.03 0.00 0.00 56.01 54.11 3fkb n LEU 24 Cb 0.57 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3fkb n LEU 24 CO 0.52 0.69 0.79 0.58 -1.33 0.00 0.00 177.39 178.64 3fkb h VAL 25 N 2.88 0.75 -0.54 4.08 2.07 -1.88 -1.72 116.25 121.89 3fkb h VAL 25 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3fkb h VAL 25 Cb 0.77 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3fkb h VAL 25 CO 0.00 0.00 0.26 1.23 0.02 0.00 0.00 177.57 179.08 3fkb h GLY 26 N -0.31 0.83 0.53 2.17 0.00 -1.97 -1.48 103.07 102.84 3fkb h GLY 26 Ca -0.02 -0.41 0.06 0.00 0.00 0.00 0.00 47.33 46.95 3fkb h GLY 26 CO 0.02 0.39 0.06 -2.09 0.00 0.00 0.00 176.54 174.93 3fkb h GLU 27 N 0.73 0.18 -0.04 4.80 4.57 -1.83 -0.42 114.58 122.56 3fkb h GLU 27 Ca 0.19 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3fkb h GLU 27 Cb 0.12 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3fkb h GLU 27 CO -0.02 0.12 0.01 0.82 -1.18 0.00 0.00 179.01 178.75 3fkb h ILE 28 N 0.19 1.21 -0.93 2.32 2.04 -1.12 -2.31 117.51 118.90 3fkb h ILE 28 Ca 0.18 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3fkb h ILE 28 Cb 0.21 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3fkb h ILE 28 CO -0.24 0.17 0.59 0.40 0.00 0.00 0.00 178.15 179.07 3fkb h ILE 29 N -0.17 1.10 -0.72 -0.67 2.04 -1.09 -1.88 117.51 116.12 3fkb h ILE 29 Ca 0.01 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3fkb h ILE 29 Cb 0.27 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 3fkb h ILE 29 CO 0.00 0.20 0.34 0.00 0.00 0.00 0.00 178.15 178.70 3fkb h ALA 30 N 1.41 1.25 -0.84 1.87 0.00 -0.95 -0.88 119.26 121.12 3fkb h ALA 30 Ca 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fkb h ALA 30 Cb 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3fkb h ALA 30 CO -0.15 0.57 0.48 0.00 0.00 0.00 0.00 179.25 180.16 3fkb h ARG 31 N 1.02 1.16 -0.02 0.00 3.08 -0.77 -0.30 114.38 118.54 3fkb h ARG 31 Ca 0.25 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 3fkb h ARG 31 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3fkb h ARG 31 CO -0.03 0.84 -0.76 1.88 -1.07 0.00 0.00 179.97 180.82 3fkb h TYR 32 N 1.16 0.26 -0.31 3.04 0.05 -1.21 -2.52 116.97 117.44 3fkb h TYR 32 Ca 0.30 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.88 3fkb h TYR 32 Cb -0.00 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 3fkb h TYR 32 CO 0.00 0.88 -0.09 0.93 -1.05 0.00 0.00 178.16 178.82 3fkb h GLU 33 N 0.12 0.61 -0.16 4.88 5.08 -0.82 -2.65 114.58 121.63 3fkb h GLU 33 Ca -0.03 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3fkb h GLU 33 Cb 1.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3fkb h GLU 33 CO 0.11 0.80 -0.05 0.87 -1.00 0.00 0.00 179.01 179.75 3fkb h LYS 34 N 0.37 0.23 0.00 2.33 1.57 -1.05 -1.80 116.57 118.23 3fkb h LYS 34 Ca 0.08 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3fkb h LYS 34 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3fkb h LYS 34 CO 0.03 0.30 -0.28 -0.22 -0.57 0.00 0.00 179.45 178.72 3fkb h LYS 35 N 0.23 0.00 0.00 3.15 1.63 -1.26 -3.47 116.57 116.86 3fkb h LYS 35 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3fkb h LYS 35 Cb 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3fkb h LYS 35 CO 0.01 0.28 0.00 0.41 -3.45 0.00 0.00 179.45 176.70 3fkb n GLY 36 N -0.46 0.96 3.78 5.01 0.00 -0.68 -5.10 105.19 108.71 3fkb n GLY 36 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3fkb n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fkb s PHE 37 N -2.00 3.12 -0.18 1.61 0.08 -1.02 -4.80 117.98 114.80 3fkb s PHE 37 Ca 0.00 1.61 -0.08 0.00 0.12 0.00 0.00 56.93 58.57 3fkb s PHE 37 Cb 0.00 -3.18 -0.05 0.00 -0.57 0.00 0.00 43.02 39.23 3fkb s PHE 37 CO 0.00 -0.88 0.11 0.08 -0.10 0.00 0.00 175.22 174.43 3fkb s VAL 38 N -1.69 5.23 -0.27 -0.44 1.01 -0.52 -4.42 120.40 119.30 3fkb s VAL 38 Ca 0.61 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 3fkb s VAL 38 Cb -0.23 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 3fkb s VAL 38 CO 0.28 0.49 1.26 -0.22 0.00 0.00 0.00 175.10 176.91 3fkb s LEU 39 N 0.05 3.96 0.00 3.92 2.96 -1.26 -0.65 118.68 127.65 3fkb s LEU 39 Ca 0.08 1.30 0.09 0.00 -0.22 0.00 0.00 54.13 55.38 3fkb s LEU 39 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3fkb s LEU 39 CO -0.00 -0.98 0.52 1.33 -1.32 0.00 0.00 176.35 175.90 3fkb n VAL 40 N 5.97 0.00 -3.68 1.68 0.24 0.22 -4.93 118.33 117.83 3fkb n VAL 40 Ca 0.14 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 3fkb n VAL 40 Cb 0.46 1.07 -0.09 0.00 -1.47 0.00 0.00 33.84 33.81 3fkb n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fkb s GLY 41 N -1.54 -0.42 -0.27 7.63 0.00 -1.13 -0.94 107.32 110.65 3fkb s GLY 41 Ca 0.06 1.64 -0.19 0.00 0.00 0.00 0.00 44.72 46.24 3fkb s GLY 41 CO 0.30 1.51 0.68 -2.27 0.00 0.00 0.00 173.10 173.32 3fkb s LEU 42 N 0.63 -0.80 -0.22 0.66 2.96 -1.26 -0.99 118.68 119.65 3fkb s LEU 42 Ca -0.03 1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 55.04 3fkb s LEU 42 Cb -0.05 2.35 0.16 0.00 0.50 0.00 0.00 46.19 49.15 3fkb s LEU 42 CO -0.04 -0.24 1.16 -1.59 -1.32 0.00 0.00 176.35 174.32 3fkb s LYS 43 N 1.13 0.35 -0.10 1.98 -2.85 -0.58 -5.02 119.74 114.65 3fkb s LYS 43 Ca -0.06 0.09 -0.04 0.00 -1.00 0.00 0.00 55.97 54.96 3fkb s LYS 43 Cb -0.05 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 3fkb s LYS 43 CO -0.11 -0.11 0.06 -1.14 0.10 0.00 0.00 175.35 174.14 3fkb s GLN 44 N -1.04 3.15 0.23 1.78 0.74 -1.26 -0.67 119.66 122.60 3fkb s GLN 44 Ca 0.03 -0.31 -0.21 0.00 0.05 0.00 0.00 55.36 54.92 3fkb s GLN 44 Cb -0.01 -2.94 0.04 0.00 1.10 0.00 0.00 33.01 31.20 3fkb s GLN 44 CO -0.03 0.73 0.66 -0.48 -0.55 0.00 0.00 175.29 175.62 3fkb s LEU 45 N -0.97 -0.31 -0.40 3.68 2.34 -0.31 -4.97 118.68 117.73 3fkb s LEU 45 Ca 0.14 -0.42 -0.06 0.00 0.06 0.00 0.00 54.13 53.85 3fkb s LEU 45 Cb -0.12 2.61 0.09 0.00 -0.56 0.00 0.00 46.19 48.21 3fkb s LEU 45 CO 0.03 -1.20 0.21 -0.69 -1.06 0.00 0.00 176.35 173.65 3fkb s VAL 46 N -3.87 3.77 0.32 1.48 1.01 -1.26 -0.22 120.40 121.63 3fkb s VAL 46 Ca 0.08 -1.63 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 3fkb s VAL 46 Cb -0.04 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.83 3fkb s VAL 46 CO -0.00 -0.53 1.10 -2.65 0.00 0.00 0.00 175.10 173.02 3fkb n PRO 47 N 4.78 1.60 -2.40 2.72 -0.02 -1.26 -5.00 135.00 135.42 3fkb n PRO 47 Ca -0.08 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.69 3fkb n PRO 47 Cb 0.42 -2.02 0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3fkb n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fkb s THR 48 N -1.10 4.28 0.27 3.45 -4.23 -1.26 -4.61 115.64 112.44 3fkb s THR 48 Ca 0.58 0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 61.27 3fkb s THR 48 Cb -0.64 -3.67 0.26 0.00 1.34 0.00 0.00 72.50 69.79 3fkb s THR 48 CO 0.60 -0.71 1.94 0.50 -0.54 0.00 0.00 174.62 176.40 3fkb h LYS 49 N -0.06 1.22 -0.36 3.99 3.64 -1.94 -0.98 116.57 122.08 3fkb h LYS 49 Ca -0.46 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3fkb h LYS 49 Cb 1.23 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3fkb h LYS 49 CO 0.61 0.81 0.20 -0.44 -2.27 0.00 0.00 179.45 178.37 3fkb h ASP 50 N 1.26 0.45 -0.26 4.20 3.45 -1.99 0.39 116.42 123.93 3fkb h ASP 50 Ca 0.36 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 3fkb h ASP 50 Cb -0.10 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 3fkb h ASP 50 CO -0.09 0.40 0.14 0.25 -1.57 0.00 0.00 179.24 178.38 3fkb h LEU 51 N 0.46 0.32 -0.53 1.55 5.85 -1.82 -1.95 115.31 119.19 3fkb h LEU 51 Ca 0.13 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3fkb h LEU 51 Cb 0.05 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3fkb h LEU 51 CO -0.02 0.32 0.32 0.00 -0.34 0.00 0.00 178.44 178.72 3fkb h ALA 52 N 1.02 0.68 -0.02 1.25 0.00 -0.94 0.56 119.26 121.82 3fkb h ALA 52 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fkb h ALA 52 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fkb h ALA 52 CO -0.01 0.04 -0.34 0.93 0.00 0.00 0.00 179.25 179.87 3fkb h GLU 53 N 0.65 0.04 -0.05 0.00 5.08 -0.77 -1.74 114.58 117.79 3fkb h GLU 53 Ca 0.21 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.33 3fkb h GLU 53 Cb 0.00 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3fkb h GLU 53 CO -0.09 0.38 -0.89 0.77 -1.00 0.00 0.00 179.01 178.18 3fkb h SER 54 N 0.04 0.70 -0.27 1.42 0.02 -0.80 -1.84 113.55 112.82 3fkb h SER 54 Ca 0.00 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3fkb h SER 54 Cb 0.63 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3fkb h SER 54 CO 0.05 1.31 0.15 -0.74 -1.14 0.00 0.00 176.83 176.46 3fkb h HIS 55 N 0.34 0.37 -0.66 3.45 -0.00 -0.47 -2.88 115.15 115.30 3fkb h HIS 55 Ca -0.08 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.13 3fkb h HIS 55 Cb 1.52 -0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 28.72 3fkb h HIS 55 CO 0.07 0.30 0.20 0.66 -0.00 0.00 0.00 177.93 179.16 3fkb n TYR 56 N -4.85 2.23 -0.34 5.26 4.01 -0.69 -4.69 117.16 118.09 3fkb n TYR 56 Ca -0.02 -1.02 0.26 0.00 -0.16 0.00 0.00 57.90 56.95 3fkb n TYR 56 Cb 0.07 -0.62 0.54 0.00 -0.31 0.00 0.00 39.34 39.02 3fkb n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fkb h ALA 57 N 2.95 2.36 0.00 -0.72 0.00 -1.10 0.48 119.26 123.23 3fkb h ALA 57 Ca 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3fkb h ALA 57 Cb 2.16 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 3fkb h ALA 57 CO 0.64 -0.80 -0.01 1.05 0.00 0.00 0.00 179.25 180.13 3fkb h GLU 58 N 0.32 0.00 -0.50 0.00 4.11 -1.86 -2.20 114.58 114.45 3fkb h GLU 58 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.06 3fkb h GLU 58 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 3fkb h GLU 58 CO -0.30 0.01 0.00 0.72 0.07 0.00 0.00 179.01 179.52 3fkb n HIS 59 N -3.17 0.87 0.10 2.06 8.25 0.15 -4.67 115.22 118.81 3fkb n HIS 59 Ca -0.02 -0.57 0.19 0.00 -0.26 0.00 0.00 57.72 57.06 3fkb n HIS 59 Cb 0.16 -0.10 0.75 0.00 1.12 0.00 0.00 29.99 31.92 3fkb n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3fkb h LYS 60 N 2.99 0.00 -0.01 -0.41 2.10 -1.39 0.31 116.57 120.16 3fkb h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fkb h LYS 60 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 3fkb h LYS 60 CO 0.08 0.00 -0.18 0.39 -2.00 0.00 0.00 179.45 177.74 3fkb n GLU 61 N -4.02 1.37 -3.05 0.07 -0.58 -1.26 -4.92 120.64 108.24 3fkb n GLU 61 Ca 0.06 -0.93 -0.32 0.00 -0.42 0.00 0.00 57.16 55.54 3fkb n GLU 61 Cb 0.50 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.83 3fkb n GLU 61 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3fkb s ARG 62 N -2.27 4.01 0.40 3.49 1.81 0.10 -4.99 118.95 121.50 3fkb s ARG 62 Ca 0.28 0.71 0.07 0.00 -1.72 0.00 0.00 55.73 55.07 3fkb s ARG 62 Cb 0.20 -2.39 0.84 0.00 -0.45 0.00 0.00 34.95 33.14 3fkb s ARG 62 CO 0.44 0.10 2.04 -1.35 -0.68 0.00 0.00 175.30 175.86 3fkb h PRO 63 N 2.08 0.53 -0.03 3.54 0.11 -1.92 -2.44 132.00 133.88 3fkb h PRO 63 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3fkb h PRO 63 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3fkb h PRO 63 CO 0.65 0.37 0.00 1.97 -0.21 0.00 0.00 178.00 180.78 3fkb n PHE 64 N -4.45 0.03 0.06 0.65 1.16 -1.26 -4.20 117.46 109.45 3fkb n PHE 64 Ca 0.03 -0.02 -0.11 0.00 -1.87 0.00 0.00 57.45 55.48 3fkb n PHE 64 Cb 0.08 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.90 3fkb n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3fkb h PHE 65 N 1.16 -0.44 -0.76 2.97 3.57 -1.63 -2.24 116.94 119.56 3fkb h PHE 65 Ca 0.00 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.64 3fkb h PHE 65 Cb 0.25 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 3fkb h PHE 65 CO 0.02 -0.25 0.35 0.78 -2.23 0.00 0.00 178.31 176.97 3fkb h GLY 66 N -0.29 1.18 1.45 2.40 0.00 -1.80 -1.71 103.07 104.30 3fkb h GLY 66 Ca 0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3fkb h GLY 66 CO -0.15 -0.05 -0.16 -1.33 0.00 0.00 0.00 176.54 174.85 3fkb h GLY 67 N 0.52 0.70 0.84 4.60 0.00 -1.76 -0.42 103.07 107.55 3fkb h GLY 67 Ca 0.41 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3fkb h GLY 67 CO -0.36 0.50 0.03 1.41 0.00 0.00 0.00 176.54 178.12 3fkb h LEU 68 N 0.58 0.31 -0.25 3.11 3.38 -0.75 -1.54 115.31 120.15 3fkb h LEU 68 Ca 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3fkb h LEU 68 Cb 0.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3fkb h LEU 68 CO 0.04 0.49 0.08 0.58 0.09 0.00 0.00 178.44 179.72 3fkb h VAL 69 N 0.12 1.19 -0.66 1.22 2.07 -1.24 -2.24 116.25 116.71 3fkb h VAL 69 Ca 0.06 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3fkb h VAL 69 Cb 0.31 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3fkb h VAL 69 CO 0.00 0.20 0.43 -1.28 0.02 0.00 0.00 177.57 176.94 3fkb h SER 70 N 0.25 0.74 -0.13 0.57 0.87 -1.05 -2.83 113.55 111.97 3fkb h SER 70 Ca 0.08 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3fkb h SER 70 Cb 0.23 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3fkb h SER 70 CO -0.00 0.53 -0.13 0.15 -0.53 0.00 0.00 176.83 176.85 3fkb h PHE 71 N 0.87 0.38 0.00 2.24 3.57 -1.18 -2.38 116.94 120.44 3fkb h PHE 71 Ca 0.24 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3fkb h PHE 71 Cb -0.08 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3fkb h PHE 71 CO -0.03 0.72 0.00 1.51 -2.23 0.00 0.00 178.31 178.28 3fkb n ILE 72 N -4.59 0.96 0.53 1.41 3.06 -0.85 -1.13 119.36 118.75 3fkb n ILE 72 Ca -0.06 0.44 0.09 0.00 -2.50 0.00 0.00 62.75 60.72 3fkb n ILE 72 Cb 0.35 -1.39 0.12 0.00 0.54 0.00 0.00 39.64 39.26 3fkb n ILE 72 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3fkb n THR 73 N -2.19 0.23 0.74 9.51 -2.24 -1.07 -4.40 114.28 114.87 3fkb n THR 73 Ca 0.01 -0.62 0.11 0.00 -2.27 0.00 0.00 64.05 61.28 3fkb n THR 73 Cb 0.14 1.18 0.48 0.00 -2.10 0.00 0.00 70.33 70.03 3fkb n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3fkb n SER 74 N 1.09 0.14 -2.30 3.42 3.41 -0.28 -4.81 113.62 114.28 3fkb n SER 74 Ca 0.13 0.52 0.01 0.00 -0.26 0.00 0.00 58.87 59.26 3fkb n SER 74 Cb 0.49 -0.55 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3fkb n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fkb n GLY 75 N 0.85 0.59 3.76 5.00 0.00 -1.26 -5.11 105.19 109.02 3fkb n GLY 75 Ca 0.05 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 3fkb n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fkb s PRO 76 N -2.01 3.68 0.02 1.61 0.04 -1.26 -4.55 135.00 132.53 3fkb s PRO 76 Ca 0.14 2.29 0.05 0.00 0.04 0.00 0.00 61.00 63.52 3fkb s PRO 76 Cb -0.01 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 3fkb s PRO 76 CO 0.01 -0.77 -0.15 0.08 0.04 0.00 0.00 177.00 176.21 3fkb s VAL 77 N -1.25 1.16 -0.36 -0.36 1.01 0.69 -3.74 120.40 117.55 3fkb s VAL 77 Ca 0.62 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3fkb s VAL 77 Cb -0.41 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 34.99 3fkb s VAL 77 CO 0.52 0.15 0.16 -0.69 0.00 0.00 0.00 175.10 175.25 3fkb s VAL 78 N -0.63 4.16 -0.07 2.92 1.01 -0.87 -1.17 120.40 125.75 3fkb s VAL 78 Ca 0.04 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 3fkb s VAL 78 Cb -0.07 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3fkb s VAL 78 CO 0.01 -0.24 0.34 0.00 0.00 0.00 0.00 175.10 175.20 3fkb s ALA 79 N 1.47 3.69 0.06 5.51 0.00 0.16 -0.97 121.76 131.67 3fkb s ALA 79 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 3fkb s ALA 79 Cb -0.20 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 3fkb s ALA 79 CO 0.04 0.37 0.19 0.00 0.00 0.00 0.00 175.76 176.36 3fkb s MET 80 N -0.55 0.76 -0.08 0.00 0.23 -0.02 -1.53 119.30 118.11 3fkb s MET 80 Ca 0.21 -0.80 0.02 0.00 -1.03 0.00 0.00 55.69 54.08 3fkb s MET 80 Cb -0.15 0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.48 3fkb s MET 80 CO 0.09 -0.23 -0.11 0.08 -2.03 0.00 0.00 175.02 172.82 3fkb s VAL 81 N -3.20 1.12 0.04 5.16 1.01 -0.16 -0.93 120.40 123.44 3fkb s VAL 81 Ca -0.00 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3fkb s VAL 81 Cb 0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3fkb s VAL 81 CO -0.07 0.36 -0.19 -0.36 0.00 0.00 0.00 175.10 174.83 3fkb s PHE 82 N 0.90 2.53 -0.03 5.22 0.08 -0.82 -0.61 117.98 125.25 3fkb s PHE 82 Ca -0.10 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 56.74 3fkb s PHE 82 Cb -0.15 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3fkb s PHE 82 CO 0.01 0.24 -0.23 -2.00 -0.10 0.00 0.00 175.22 173.14 3fkb s GLU 83 N -1.41 1.96 0.00 0.44 2.12 0.18 -1.35 118.70 120.64 3fkb s GLU 83 Ca 0.14 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.66 3fkb s GLU 83 Cb -0.10 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.46 3fkb s GLU 83 CO 0.05 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 3fkb n GLY 84 N 2.65 1.81 3.70 -1.50 0.00 -0.28 -1.44 105.19 110.14 3fkb n GLY 84 Ca -0.16 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3fkb n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fkb s LYS 85 N -2.00 4.13 -1.26 1.61 2.20 -1.24 -2.37 119.74 120.81 3fkb s LYS 85 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3fkb s LYS 85 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 3fkb s LYS 85 CO 0.00 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 3fkb n GLY 86 N 4.12 -0.01 0.33 5.54 0.00 -1.26 -4.87 105.19 109.03 3fkb n GLY 86 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3fkb n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fkb h VAL 87 N 0.00 1.00 0.72 1.61 3.04 -1.77 -1.50 116.25 119.35 3fkb h VAL 87 Ca -0.32 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 3fkb h VAL 87 Cb 1.15 0.48 0.01 0.00 -2.01 0.00 0.00 31.29 30.91 3fkb h VAL 87 CO 0.39 0.09 -0.35 0.58 -1.01 0.00 0.00 177.57 177.28 3fkb h VAL 88 N 0.49 0.26 -0.57 1.51 2.07 -1.86 0.84 116.25 118.99 3fkb h VAL 88 Ca 0.21 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 3fkb h VAL 88 Cb 0.23 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3fkb h VAL 88 CO -0.06 0.01 0.07 0.00 0.02 0.00 0.00 177.57 177.62 3fkb h ALA 89 N -0.79 1.05 -0.42 1.67 0.00 -1.87 -2.66 119.26 116.25 3fkb h ALA 89 Ca -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3fkb h ALA 89 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3fkb h ALA 89 CO 0.16 0.60 0.10 1.03 0.00 0.00 0.00 179.25 181.15 3fkb h SER 90 N 0.87 0.64 -0.97 0.00 0.87 -1.22 -1.91 113.55 111.83 3fkb h SER 90 Ca 0.18 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3fkb h SER 90 Cb 0.41 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3fkb h SER 90 CO 0.01 0.71 0.64 0.00 -0.53 0.00 0.00 176.83 177.66 3fkb h ALA 91 N 0.95 1.32 -0.55 6.23 0.00 -0.67 0.39 119.26 126.93 3fkb h ALA 91 Ca 0.13 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3fkb h ALA 91 Cb 0.32 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fkb h ALA 91 CO 0.00 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.95 3fkb h ARG 92 N 1.30 0.93 -0.76 0.00 2.47 -1.24 -1.84 114.38 115.23 3fkb h ARG 92 Ca 0.36 -0.26 -0.05 0.00 -1.26 0.00 0.00 59.98 58.77 3fkb h ARG 92 Cb -0.13 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.05 3fkb h ARG 92 CO -0.08 0.90 0.27 1.25 0.56 0.00 0.00 179.97 182.87 3fkb h LEU 93 N 0.81 1.08 -1.39 3.04 5.85 -0.65 -1.29 115.31 122.76 3fkb h LEU 93 Ca 0.17 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3fkb h LEU 93 Cb 0.44 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3fkb h LEU 93 CO 0.01 0.98 -0.28 0.24 -0.34 0.00 0.00 178.44 179.06 3fkb h MET 94 N 1.12 0.00 0.17 1.25 2.86 -0.69 -3.13 114.93 116.51 3fkb h MET 94 Ca 0.25 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.67 3fkb h MET 94 Cb 0.27 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.95 3fkb h MET 94 CO -0.01 0.28 -0.97 0.82 1.06 0.00 0.00 176.91 178.09 3fkb h ILE 95 N 0.00 1.46 0.00 -1.22 2.04 -0.86 -0.82 117.51 118.11 3fkb h ILE 95 Ca -0.00 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3fkb h ILE 95 Cb 0.61 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 3fkb h ILE 95 CO 0.04 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.53 3fkb n GLY 96 N 1.68 0.13 3.97 5.37 0.00 -0.53 -1.02 105.19 114.80 3fkb n GLY 96 Ca -0.15 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.52 3fkb n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fkb s VAL 97 N 0.00 2.83 0.29 1.61 -7.23 -1.26 -4.70 120.40 111.94 3fkb s VAL 97 Ca 0.00 -1.10 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 3fkb s VAL 97 Cb 0.00 -2.93 0.28 0.00 0.56 0.00 0.00 36.38 34.29 3fkb s VAL 97 CO 0.00 0.00 1.70 0.74 -0.31 0.00 0.00 175.10 177.23 3fkb h THR 98 N 0.72 0.49 -3.52 5.32 2.02 -1.98 -3.35 112.91 112.60 3fkb h THR 98 Ca -0.40 -0.14 -0.65 0.00 0.77 0.00 0.00 66.41 65.99 3fkb h THR 98 Cb 1.28 0.05 -0.15 0.00 -1.74 0.00 0.00 68.15 67.59 3fkb h THR 98 CO 0.48 0.07 0.20 0.21 0.37 0.00 0.00 175.52 176.85 3fkb s ASN 99 N -5.20 6.33 0.40 4.18 3.04 -1.26 -4.66 114.94 117.76 3fkb s ASN 99 Ca -0.12 -0.37 0.12 0.00 0.04 0.00 0.00 52.86 52.54 3fkb s ASN 99 Cb 0.25 -2.34 0.94 0.00 -1.54 0.00 0.00 41.25 38.56 3fkb s ASN 99 CO 0.78 -0.86 1.92 -0.65 -3.04 0.00 0.00 177.10 175.25 3fkb h PRO 100 N 8.95 0.53 0.00 0.43 0.11 -1.83 -1.57 132.00 138.62 3fkb h PRO 100 Ca -0.26 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3fkb h PRO 100 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3fkb h PRO 100 CO 0.93 0.35 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.79 3fkb h LEU 101 N 0.54 0.00 -0.52 2.35 3.38 -1.75 -2.32 115.31 116.99 3fkb h LEU 101 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3fkb h LEU 101 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3fkb h LEU 101 CO -0.13 0.20 -0.28 0.00 0.09 0.00 0.00 178.44 178.32 3fkb n ALA 102 N -2.41 3.13 -1.87 1.53 0.00 -0.61 -4.90 120.51 115.37 3fkb n ALA 102 Ca -0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.60 3fkb n ALA 102 Cb 0.28 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3fkb n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fkb s SER 103 N -2.51 7.60 0.47 0.00 0.01 -0.87 -4.91 113.70 113.50 3fkb s SER 103 Ca 0.24 1.90 -0.22 0.00 1.31 0.00 0.00 55.95 59.18 3fkb s SER 103 Cb 0.19 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 3fkb s SER 103 CO 0.53 0.11 1.13 0.00 0.41 0.00 0.00 173.24 175.42 3fkb s ALA 104 N -0.92 2.93 0.49 1.44 0.00 -1.26 -4.36 121.76 120.07 3fkb s ALA 104 Ca 0.42 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.99 3fkb s ALA 104 Cb -0.25 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 3fkb s ALA 104 CO 0.31 -0.58 1.37 -1.25 0.00 0.00 0.00 175.76 175.61 3fkb s PRO 105 N -2.83 3.48 0.00 0.00 0.04 -1.26 -2.17 135.00 132.26 3fkb s PRO 105 Ca 0.65 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.97 3fkb s PRO 105 Cb -0.26 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3fkb s PRO 105 CO 0.31 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3fkb n GLY 106 N 0.64 1.61 3.91 0.56 0.00 -1.26 -4.97 105.19 105.68 3fkb n GLY 106 Ca 0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 3fkb n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fkb s SER 107 N -0.24 6.15 0.09 1.61 1.04 -0.92 -4.92 113.70 116.51 3fkb s SER 107 Ca 0.00 0.92 -0.28 0.00 0.48 0.00 0.00 55.95 57.07 3fkb s SER 107 Cb 0.00 -2.17 -0.15 0.00 0.10 0.00 0.00 66.02 63.79 3fkb s SER 107 CO 0.00 -0.67 1.67 0.40 0.98 0.00 0.00 173.24 175.62 3fkb h ILE 108 N 0.13 0.58 -0.21 -1.02 2.04 -1.08 -0.25 117.51 117.70 3fkb h ILE 108 Ca -0.46 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 3fkb h ILE 108 Cb 1.21 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3fkb h ILE 108 CO 0.61 0.00 -0.32 0.03 0.00 0.00 0.00 178.15 178.48 3fkb h ARG 109 N -0.52 0.42 -0.29 2.37 3.08 -1.35 -1.06 114.38 117.03 3fkb h ARG 109 Ca -0.04 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 3fkb h ARG 109 Cb 0.42 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3fkb h ARG 109 CO 0.04 0.69 -0.03 0.78 -1.07 0.00 0.00 179.97 180.39 3fkb h GLY 110 N 1.07 0.48 1.21 0.04 0.00 -1.66 -0.19 103.07 104.02 3fkb h GLY 110 Ca 0.05 -0.28 -0.26 0.00 0.00 0.00 0.00 47.33 46.83 3fkb h GLY 110 CO 0.06 0.27 -1.52 -0.55 0.00 0.00 0.00 176.54 174.79 3fkb h ASP 111 N 0.43 0.00 0.00 0.19 3.32 -0.75 -3.42 116.42 116.19 3fkb h ASP 111 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3fkb h ASP 111 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3fkb h ASP 111 CO 0.01 0.96 -0.24 0.49 -1.72 0.00 0.00 179.24 178.74 3fkb n PHE 112 N -3.10 0.00 -4.26 4.55 3.72 -0.43 -5.07 117.46 112.87 3fkb n PHE 112 Ca -0.13 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.04 3fkb n PHE 112 Cb 1.01 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.48 3fkb n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3fkb s GLY 113 N -1.14 1.71 0.00 1.37 0.00 -0.09 -5.03 107.32 104.15 3fkb s GLY 113 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.03 3fkb s GLY 113 CO 0.00 -1.73 0.00 -0.62 0.00 0.00 0.00 173.10 170.75 3fkb n VAL 114 N -0.95 0.00 -4.83 1.40 0.31 -1.26 -4.28 118.33 108.72 3fkb n VAL 114 Ca -0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.96 3fkb n VAL 114 Cb 0.59 -0.16 -0.13 0.00 -0.91 0.00 0.00 33.84 33.23 3fkb n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3fkb s ASP 115 N -1.26 3.71 0.29 4.52 2.15 -1.26 -4.32 116.67 120.50 3fkb s ASP 115 Ca 0.00 -0.39 -0.02 0.00 0.43 0.00 0.00 52.55 52.58 3fkb s ASP 115 Cb 0.00 -0.61 0.43 0.00 -0.30 0.00 0.00 42.92 42.44 3fkb s ASP 115 CO 0.00 0.29 1.91 0.58 -0.17 0.00 0.00 175.17 177.77 3fkb h VAL 116 N 4.14 1.21 -0.00 1.11 2.07 -1.97 -2.09 116.25 120.73 3fkb h VAL 116 Ca -0.47 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3fkb h VAL 116 Cb 1.15 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3fkb h VAL 116 CO 0.48 0.25 -0.02 0.61 0.02 0.00 0.00 177.57 178.91 3fkb n GLY 117 N -1.16 -1.35 2.53 2.17 0.00 -1.26 -3.53 105.19 102.59 3fkb n GLY 117 Ca 0.07 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3fkb n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fkb n ARG 118 N -1.36 2.00 -0.85 1.61 5.12 -0.81 -4.92 116.66 117.46 3fkb n ARG 118 Ca 0.11 -4.05 -0.11 0.00 -1.93 0.00 0.00 57.85 51.87 3fkb n ARG 118 Cb 0.28 -1.95 0.19 0.00 -1.16 0.00 0.00 32.46 29.82 3fkb n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3fkb n ASN 119 N 0.04 3.86 0.00 0.55 0.23 -1.09 -4.25 115.26 114.60 3fkb n ASN 119 Ca 0.28 -3.05 0.00 0.00 -0.53 0.00 0.00 54.58 51.28 3fkb n ASN 119 Cb 0.54 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 3fkb n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3fkb n ILE 120 N -0.37 0.00 -3.83 1.53 5.41 -1.26 -4.74 119.36 116.10 3fkb n ILE 120 Ca 0.38 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 64.02 3fkb n ILE 120 Cb 1.26 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 40.10 3fkb n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3fkb s ILE 121 N 0.00 0.10 -0.03 1.39 2.07 -1.26 -0.89 121.20 122.58 3fkb s ILE 121 Ca 0.00 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 58.43 3fkb s ILE 121 Cb 0.00 -0.85 0.03 0.00 0.13 0.00 0.00 42.46 41.77 3fkb s ILE 121 CO 0.00 -0.45 -0.00 -0.83 -1.91 0.00 0.00 174.94 171.75 3fkb s GLY 122 N -1.96 0.25 0.28 1.50 0.00 -0.69 -4.95 107.32 101.75 3fkb s GLY 122 Ca -0.07 0.15 0.10 0.00 0.00 0.00 0.00 44.72 44.90 3fkb s GLY 122 CO -0.03 0.59 -0.03 -0.32 0.00 0.00 0.00 173.10 173.31 3fkb s GLY 123 N 1.02 1.75 0.30 0.20 0.00 -1.26 -1.43 107.32 107.89 3fkb s GLY 123 Ca -0.10 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 3fkb s GLY 123 CO -0.02 -1.78 1.35 1.44 0.00 0.00 0.00 173.10 174.09 3fkb n SER 124 N -0.86 2.81 -0.12 1.64 7.64 -0.45 -4.89 113.62 119.38 3fkb n SER 124 Ca -0.06 1.18 0.14 0.00 1.01 0.00 0.00 58.87 61.14 3fkb n SER 124 Cb 0.60 -1.47 0.53 0.00 -1.01 0.00 0.00 64.21 62.86 3fkb n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fkb n ASP 125 N 1.38 0.54 -3.68 6.43 5.68 -1.26 -4.82 116.55 120.82 3fkb n ASP 125 Ca 0.08 -0.52 -0.03 0.00 -0.50 0.00 0.00 54.79 53.81 3fkb n ASP 125 Cb 0.34 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.27 3fkb n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fkb s SER 126 N -2.57 -0.19 0.22 -1.12 1.04 -1.26 -4.97 113.70 104.86 3fkb s SER 126 Ca 0.25 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.34 3fkb s SER 126 Cb 0.20 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.90 3fkb s SER 126 CO 0.51 -0.71 1.85 0.58 0.98 0.00 0.00 173.24 176.44 3fkb h VAL 127 N 2.00 1.25 -0.24 5.02 2.07 -1.92 0.12 116.25 124.56 3fkb h VAL 127 Ca -0.24 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3fkb h VAL 127 Cb 1.22 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3fkb h VAL 127 CO 0.27 0.28 0.13 -0.08 0.02 0.00 0.00 177.57 178.18 3fkb h GLU 128 N 1.20 0.33 -0.36 1.57 4.81 -1.97 -1.14 114.58 119.02 3fkb h GLU 128 Ca 0.30 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3fkb h GLU 128 Cb 0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3fkb h GLU 128 CO -0.05 0.30 -0.14 0.77 -0.73 0.00 0.00 179.01 179.16 3fkb h SER 129 N 0.27 0.63 -0.04 1.04 0.02 -1.88 -2.36 113.55 111.23 3fkb h SER 129 Ca 0.08 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3fkb h SER 129 Cb 0.07 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3fkb h SER 129 CO -0.01 0.79 0.02 0.00 -1.14 0.00 0.00 176.83 176.49 3fkb h ALA 130 N 1.27 0.06 -0.76 3.77 0.00 -0.45 0.16 119.26 123.31 3fkb h ALA 130 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fkb h ALA 130 Cb 0.58 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3fkb h ALA 130 CO 0.04 -0.36 0.47 -0.91 0.00 0.00 0.00 179.25 178.49 3fkb h ASN 131 N -0.09 0.89 -0.19 0.00 2.35 -1.13 0.14 115.58 117.56 3fkb h ASN 131 Ca 0.01 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3fkb h ASN 131 Cb 0.16 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3fkb h ASN 131 CO -0.00 0.67 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.30 3fkb h ARG 132 N 1.04 0.38 -0.54 0.81 2.43 -1.11 -2.73 114.38 114.66 3fkb h ARG 132 Ca 0.27 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 3fkb h ARG 132 Cb -0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3fkb h ARG 132 CO -0.05 0.65 -0.12 0.93 -1.51 0.00 0.00 179.97 179.87 3fkb h GLU 133 N 0.09 1.02 -0.52 0.20 5.08 -0.31 -2.13 114.58 118.01 3fkb h GLU 133 Ca 0.05 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3fkb h GLU 133 Cb 0.52 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3fkb h GLU 133 CO 0.02 1.07 0.33 0.82 -1.00 0.00 0.00 179.01 180.26 3fkb h ILE 134 N 0.90 1.09 0.00 3.13 2.04 -0.74 -0.17 117.51 123.77 3fkb h ILE 134 Ca 0.14 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3fkb h ILE 134 Cb 0.69 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3fkb h ILE 134 CO 0.05 0.12 -0.28 0.00 0.00 0.00 0.00 178.15 178.04 3fkb h ALA 135 N 1.21 1.25 0.02 1.87 0.00 -1.38 -0.07 119.26 122.16 3fkb h ALA 135 Ca 0.20 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3fkb h ALA 135 Cb -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fkb h ALA 135 CO -0.07 0.35 -0.65 1.25 0.00 0.00 0.00 179.25 180.13 3fkb h LEU 136 N 0.00 0.53 0.00 0.00 6.46 -0.64 -3.37 115.31 118.29 3fkb h LEU 136 Ca -0.00 -0.79 -0.17 0.00 -0.12 0.00 0.00 57.88 56.80 3fkb h LEU 136 Cb 0.61 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 3fkb h LEU 136 CO 0.04 1.26 -1.26 -0.50 -0.62 0.00 0.00 178.44 177.35 3fkb h TRP 137 N -0.13 0.00 -4.23 1.25 4.06 -0.98 -3.48 115.95 112.44 3fkb h TRP 137 Ca -0.09 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.29 3fkb h TRP 137 Cb 1.37 0.00 -0.27 0.00 -1.00 0.00 0.00 29.16 29.27 3fkb h TRP 137 CO 0.15 0.61 -0.84 -0.06 -3.56 0.00 0.00 178.44 174.74 3fkb s PHE 138 N -2.90 1.77 0.31 0.49 0.40 -0.05 -5.09 117.98 112.92 3fkb s PHE 138 Ca -0.02 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 3fkb s PHE 138 Cb 0.08 -1.08 -0.09 0.00 0.51 0.00 0.00 43.02 42.44 3fkb s PHE 138 CO 0.80 0.05 0.73 0.15 0.70 0.00 0.00 175.22 177.65 3fkb s LYS 139 N -0.95 4.01 0.32 0.44 1.02 -1.26 -4.51 119.74 118.81 3fkb s LYS 139 Ca 0.07 0.68 0.10 0.00 0.02 0.00 0.00 55.97 56.84 3fkb s LYS 139 Cb -0.08 -2.46 0.89 0.00 -0.52 0.00 0.00 37.83 35.66 3fkb s LYS 139 CO 0.01 0.17 1.73 -1.35 -0.92 0.00 0.00 175.35 174.99 3fkb h PRO 140 N 2.33 0.56 0.00 -1.68 0.11 -1.95 0.73 132.00 132.11 3fkb h PRO 140 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fkb h PRO 140 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fkb h PRO 140 CO 0.65 0.37 0.00 0.93 -0.21 0.00 0.00 178.00 179.75 3fkb h GLU 141 N 0.58 0.00 -0.09 1.05 3.07 -2.02 -2.18 114.58 115.00 3fkb h GLU 141 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 3fkb h GLU 141 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3fkb h GLU 141 CO -0.47 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.53 3fkb n GLU 142 N -2.43 1.84 -4.85 2.33 1.02 0.25 -4.87 120.64 113.93 3fkb n GLU 142 Ca 0.00 -1.23 -0.33 0.00 -0.02 0.00 0.00 57.16 55.59 3fkb n GLU 142 Cb 0.16 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 29.99 3fkb n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fkb s LEU 143 N -1.84 2.72 0.41 -4.62 1.43 -0.82 -4.50 118.68 111.45 3fkb s LEU 143 Ca 0.35 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 3fkb s LEU 143 Cb 0.20 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 3fkb s LEU 143 CO 0.31 0.27 1.42 -0.76 0.23 0.00 0.00 176.35 177.81 3fkb s LEU 144 N -0.26 4.22 -0.01 1.79 1.43 -0.11 -4.91 118.68 120.84 3fkb s LEU 144 Ca 0.01 2.90 0.13 0.00 -1.03 0.00 0.00 54.13 56.15 3fkb s LEU 144 Cb -0.13 -3.82 -0.18 0.00 0.03 0.00 0.00 46.19 42.09 3fkb s LEU 144 CO 0.03 -0.97 0.38 0.35 0.23 0.00 0.00 176.35 176.36 3fkb n THR 145 N 0.16 0.00 -3.92 5.49 -2.24 -1.26 -4.83 114.28 107.67 3fkb n THR 145 Ca 0.03 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 3fkb n THR 145 Cb 0.41 0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.97 3fkb n THR 145 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3fkb s GLU 146 N -2.68 2.16 -0.16 -0.78 2.12 -1.26 -5.08 118.70 113.03 3fkb s GLU 146 Ca -0.02 -1.49 0.01 0.00 0.36 0.00 0.00 54.97 53.83 3fkb s GLU 146 Cb 0.09 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.28 3fkb s GLU 146 CO 0.54 -0.75 -0.16 0.08 -0.54 0.00 0.00 175.26 174.42 3fkb s VAL 147 N 1.15 1.75 -0.33 3.70 1.01 -1.26 -5.07 120.40 121.35 3fkb s VAL 147 Ca -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3fkb s VAL 147 Cb -0.20 -1.61 0.12 0.00 0.00 0.00 0.00 36.38 34.68 3fkb s VAL 147 CO -0.03 0.49 0.16 -1.59 0.00 0.00 0.00 175.10 174.13 3fkb s LYS 148 N 1.38 0.50 0.00 2.72 -2.85 -1.26 -5.14 119.74 115.09 3fkb s LYS 148 Ca 0.04 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 3fkb s LYS 148 Cb -0.13 -1.45 0.00 0.00 -2.06 0.00 0.00 37.83 34.19 3fkb s LYS 148 CO -0.11 -1.09 0.00 -0.35 0.10 0.00 0.00 175.35 173.90 3fkb n PRO 149 N 4.60 1.29 -3.11 1.78 -0.04 -1.26 -4.93 135.00 133.33 3fkb n PRO 149 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 3fkb n PRO 149 Cb 0.40 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.79 3fkb n PRO 149 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3fkb s ASN 150 N -1.78 6.37 0.00 3.54 3.84 -1.26 -4.92 114.94 120.73 3fkb s ASN 150 Ca 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 52.86 52.99 3fkb s ASN 150 Cb 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 3fkb s ASN 150 CO 0.00 -0.68 0.69 -2.65 -2.79 0.00 0.00 177.10 171.67 3fkb n PRO 151 N 6.15 0.00 0.00 0.43 -0.02 -1.26 0.11 135.00 140.41 3fkb n PRO 151 Ca -0.01 0.23 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 3fkb n PRO 151 Cb 0.48 -1.70 0.50 0.00 -0.02 0.00 0.00 33.50 32.76 3fkb n PRO 151 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fkb n ASN 152 N -1.19 1.00 -0.01 2.55 3.02 -1.26 -4.03 115.26 115.34 3fkb n ASN 152 Ca 0.00 -1.01 -0.16 0.00 -0.03 0.00 0.00 54.58 53.39 3fkb n ASN 152 Cb 0.20 0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.27 3fkb n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fkb n LEU 153 N -0.49 1.84 -4.32 3.41 4.77 0.29 -4.94 117.00 117.56 3fkb n LEU 153 Ca 0.15 0.30 -0.31 0.00 -0.03 0.00 0.00 56.01 56.12 3fkb n LEU 153 Cb 0.32 -0.53 -0.16 0.00 -2.33 0.00 0.00 43.42 40.72 3fkb n LEU 153 CO 0.22 0.65 -0.56 -0.31 -1.33 0.00 0.00 177.39 176.06 3fkb s TYR 154 N -2.58 2.37 -2.00 -1.77 2.02 -1.26 -5.12 117.35 109.02 3fkb s TYR 154 Ca -0.14 -0.43 0.29 0.00 -0.37 0.00 0.00 57.07 56.41 3fkb s TYR 154 Cb 0.07 -1.52 1.73 0.00 -0.40 0.00 0.00 41.96 41.85 3fkb s TYR 154 CO 0.79 -0.03 2.07 -1.91 -1.57 0.00 0.00 175.55 174.90