#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8x s LYS 3 N 0.00 0.70 0.00 0.54 -0.14 -1.26 -4.77 119.74 114.81 1f8x s LYS 3 Ca 0.00 -0.52 0.03 0.00 -1.36 0.00 0.00 55.97 54.12 1f8x s LYS 3 Cb 0.00 -0.65 -0.03 0.00 -1.68 0.00 0.00 37.83 35.47 1f8x s LYS 3 CO 0.00 0.16 -0.05 0.15 -0.76 0.00 0.00 175.35 174.85 1f8x s LYS 4 N -0.75 2.59 0.10 1.68 -0.14 0.01 -4.79 119.74 118.44 1f8x s LYS 4 Ca -0.00 -0.71 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 1f8x s LYS 4 Cb -0.06 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1f8x s LYS 4 CO 0.00 0.60 0.22 0.95 -0.76 0.00 0.00 175.35 176.37 1f8x s THR 5 N -1.02 5.24 0.35 2.17 -4.23 -1.26 -0.51 115.64 116.38 1f8x s THR 5 Ca 0.18 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1f8x s THR 5 Cb -0.11 -3.62 -0.07 0.00 1.34 0.00 0.00 72.50 70.04 1f8x s THR 5 CO 0.08 0.03 0.03 0.27 -0.54 0.00 0.00 174.62 174.50 1f8x s ILE 6 N -1.60 1.52 -0.25 2.99 -4.36 -1.26 -1.77 121.20 116.47 1f8x s ILE 6 Ca 0.34 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 58.69 1f8x s ILE 6 Cb -0.12 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.76 1f8x s ILE 6 CO 0.27 -0.02 -0.03 -0.47 0.24 0.00 0.00 174.94 174.93 1f8x s TYR 7 N -3.06 3.05 -1.19 1.37 5.04 -0.41 -1.54 117.35 120.60 1f8x s TYR 7 Ca 0.36 -1.31 -0.20 0.00 -2.44 0.00 0.00 57.07 53.47 1f8x s TYR 7 Cb 0.09 -2.10 0.05 0.00 0.35 0.00 0.00 41.96 40.35 1f8x s TYR 7 CO 0.16 -0.66 1.65 0.12 -1.34 0.00 0.00 175.55 175.48 1f8x s PHE 8 N 1.39 2.64 -0.40 4.97 5.36 -0.34 -1.90 117.98 129.70 1f8x s PHE 8 Ca 0.02 -1.23 -0.25 0.00 -0.96 0.00 0.00 56.93 54.51 1f8x s PHE 8 Cb -0.16 -4.70 0.02 0.00 -0.34 0.00 0.00 43.02 37.84 1f8x s PHE 8 CO -0.03 -1.83 0.90 0.20 -1.46 0.00 0.00 175.22 172.99 1f8x s GLY 9 N 4.65 1.56 -0.29 13.12 0.00 -0.03 -4.45 107.32 121.88 1f8x s GLY 9 Ca 0.52 -0.61 -0.15 0.00 0.00 0.00 0.00 44.72 44.48 1f8x s GLY 9 CO 0.02 1.97 0.80 0.00 0.00 0.00 0.00 173.10 175.89 1f8x s ALA 10 N 3.49 -2.14 0.66 3.20 0.00 -1.26 -0.26 121.76 125.45 1f8x s ALA 10 Ca 0.36 2.30 -0.15 0.00 0.00 0.00 0.00 51.96 54.47 1f8x s ALA 10 Cb -0.12 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 1f8x s ALA 10 CO 0.21 -0.56 1.11 0.20 0.00 0.00 0.00 175.76 176.72 1f8x s GLY 11 N 1.92 2.14 -0.07 0.00 0.00 -1.26 -4.97 107.32 105.08 1f8x s GLY 11 Ca -0.08 0.53 0.15 0.00 0.00 0.00 0.00 44.72 45.32 1f8x s GLY 11 CO -0.18 0.88 1.13 -2.67 0.00 0.00 0.00 173.10 172.27 1f8x n TRP 12 N -2.43 0.00 1.34 1.90 2.14 -1.26 -4.32 117.44 114.81 1f8x n TRP 12 Ca 0.10 -0.69 0.12 0.00 2.07 0.00 0.00 57.50 59.10 1f8x n TRP 12 Cb 0.52 -0.15 0.44 0.00 -0.81 0.00 0.00 31.31 31.31 1f8x n TRP 12 CO 0.00 0.00 0.00 1.19 2.07 0.00 0.00 177.69 180.95 1f8x n PHE 13 N -0.35 0.12 -3.82 -2.67 3.01 -1.26 -4.79 117.46 107.70 1f8x n PHE 13 Ca 0.09 -0.06 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 1f8x n PHE 13 Cb 0.84 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.26 1f8x n PHE 13 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1f8x s THR 14 N -1.88 0.03 0.13 4.37 -4.23 -1.26 -5.04 115.64 107.77 1f8x s THR 14 Ca 0.35 -1.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.68 1f8x s THR 14 Cb 0.19 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 1f8x s THR 14 CO 0.29 -0.14 1.79 0.44 -0.54 0.00 0.00 174.62 176.46 1f8x h ASP 15 N 2.27 0.34 -0.09 3.99 3.32 -1.99 0.20 116.42 124.47 1f8x h ASP 15 Ca -0.29 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1f8x h ASP 15 Cb 1.25 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1f8x h ASP 15 CO 0.39 0.26 0.01 0.03 -1.72 0.00 0.00 179.24 178.20 1f8x h ARG 16 N 0.39 0.15 -0.39 3.56 3.08 -1.99 -1.34 114.38 117.85 1f8x h ARG 16 Ca 0.11 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.19 1f8x h ARG 16 Cb -0.03 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 1f8x h ARG 16 CO -0.02 0.40 -0.09 1.96 -1.07 0.00 0.00 179.97 181.14 1f8x h GLN 17 N -0.11 0.01 0.00 0.04 4.20 -1.82 0.56 115.11 117.99 1f8x h GLN 17 Ca 0.03 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1f8x h GLN 17 Cb 0.32 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1f8x h GLN 17 CO 0.00 0.01 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.08 1f8x h ASN 18 N 0.01 0.00 -0.10 1.46 4.21 -0.85 0.25 115.58 120.56 1f8x h ASN 18 Ca 0.19 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.66 1f8x h ASN 18 Cb 0.29 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1f8x h ASN 18 CO -0.39 0.17 -0.08 0.50 -1.29 0.00 0.00 177.43 176.34 1f8x h LYS 19 N 0.00 0.24 -0.46 0.81 3.64 0.22 -1.72 116.57 119.30 1f8x h LYS 19 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1f8x h LYS 19 Cb 0.32 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1f8x h LYS 19 CO 0.02 0.63 0.30 0.00 -2.27 0.00 0.00 179.45 178.13 1f8x h ALA 20 N 0.61 0.58 -0.34 5.00 0.00 -0.50 -1.08 119.26 123.53 1f8x h ALA 20 Ca 0.02 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1f8x h ALA 20 Cb 0.57 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1f8x h ALA 20 CO 0.02 0.04 -0.22 -0.92 0.00 0.00 0.00 179.25 178.17 1f8x h TYR 21 N 0.62 -0.57 0.37 0.00 3.20 -0.42 0.10 116.97 120.27 1f8x h TYR 21 Ca 0.17 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1f8x h TYR 21 Cb -0.06 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1f8x h TYR 21 CO -0.04 -0.30 -0.18 0.87 -1.64 0.00 0.00 178.16 176.87 1f8x h LYS 22 N -0.18 -0.48 -0.43 1.82 6.56 -0.99 -2.08 116.57 120.80 1f8x h LYS 22 Ca 0.17 0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.88 1f8x h LYS 22 Cb 0.44 0.11 -0.09 0.00 -0.57 0.00 0.00 32.23 32.12 1f8x h LYS 22 CO -0.44 -0.28 -0.25 0.93 -2.06 0.00 0.00 179.45 177.35 1f8x h GLU 23 N -0.57 -0.16 -0.76 3.15 5.08 -0.61 -0.88 114.58 119.82 1f8x h GLU 23 Ca -0.05 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1f8x h GLU 23 Cb 0.42 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1f8x h GLU 23 CO 0.08 -0.11 0.49 0.00 -1.00 0.00 0.00 179.01 178.47 1f8x h ALA 24 N 1.03 0.99 -1.00 3.43 0.00 -0.80 -1.45 119.26 121.46 1f8x h ALA 24 Ca 0.20 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1f8x h ALA 24 Cb 0.48 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1f8x h ALA 24 CO -0.53 0.31 0.64 1.98 0.00 0.00 0.00 179.25 181.65 1f8x h MET 25 N 0.96 1.14 -0.44 0.00 1.85 -0.47 -1.70 114.93 116.28 1f8x h MET 25 Ca 0.30 -0.07 -0.11 0.00 -0.61 0.00 0.00 59.70 59.21 1f8x h MET 25 Cb -0.01 -0.26 -0.01 0.00 0.43 0.00 0.00 31.60 31.75 1f8x h MET 25 CO -0.10 0.75 -0.15 1.49 -0.40 0.00 0.00 176.91 178.51 1f8x h GLU 26 N 1.17 0.88 -0.82 0.39 4.57 -0.28 -2.75 114.58 117.73 1f8x h GLU 26 Ca 0.43 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1f8x h GLU 26 Cb 0.15 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1f8x h GLU 26 CO -0.17 1.00 0.53 0.00 -1.18 0.00 0.00 179.01 179.19 1f8x h ALA 27 N 0.85 1.04 -0.42 2.92 0.00 -0.68 -2.71 119.26 120.27 1f8x h ALA 27 Ca 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1f8x h ALA 27 Cb 0.70 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1f8x h ALA 27 CO 0.05 0.47 -0.04 -0.07 0.00 0.00 0.00 179.25 179.66 1f8x h LEU 28 N 1.12 0.67 -2.05 0.00 3.38 -1.24 -2.09 115.31 115.10 1f8x h LEU 28 Ca 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1f8x h LEU 28 Cb -0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1f8x h LEU 28 CO -0.06 0.77 -0.06 0.11 0.09 0.00 0.00 178.44 179.29 1f8x h LYS 29 N 0.65 0.00 0.00 1.13 1.57 -1.18 -1.98 116.57 116.76 1f8x h LYS 29 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1f8x h LYS 29 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1f8x h LYS 29 CO 0.02 0.06 -1.23 0.39 -0.57 0.00 0.00 179.45 178.12 1f8x n GLU 30 N -3.33 0.58 -2.25 3.15 1.02 -0.88 -4.89 120.64 114.03 1f8x n GLU 30 Ca -0.01 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 1f8x n GLU 30 Cb 0.22 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 29.89 1f8x n GLU 30 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1f8x s ASN 31 N -4.98 6.22 0.61 1.62 3.84 -0.75 -4.89 114.94 116.62 1f8x s ASN 31 Ca -0.02 0.99 0.31 0.00 0.21 0.00 0.00 52.86 54.36 1f8x s ASN 31 Cb 0.11 -2.54 1.78 0.00 -0.55 0.00 0.00 41.25 40.06 1f8x s ASN 31 CO 0.82 -1.50 2.13 -0.65 -2.79 0.00 0.00 177.10 175.11 1f8x h PRO 32 N 11.26 0.00 -0.51 0.43 0.11 -1.86 -1.47 132.00 139.96 1f8x h PRO 32 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1f8x h PRO 32 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1f8x h PRO 32 CO 1.07 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 179.11 1f8x n THR 33 N -3.58 0.68 -4.95 -1.15 -2.24 -1.26 -4.88 114.28 96.91 1f8x n THR 33 Ca 0.00 -0.72 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 1f8x n THR 33 Cb 0.28 0.43 -0.16 0.00 -2.10 0.00 0.00 70.33 68.78 1f8x n THR 33 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1f8x s ILE 34 N -1.32 2.26 -0.85 2.28 -1.09 -0.55 -0.81 121.20 121.12 1f8x s ILE 34 Ca 0.37 -0.94 -0.16 0.00 -2.23 0.00 0.00 60.65 57.70 1f8x s ILE 34 Cb 0.20 -1.89 0.19 0.00 -1.58 0.00 0.00 42.46 39.37 1f8x s ILE 34 CO 0.26 0.55 0.88 -0.62 -1.23 0.00 0.00 174.94 174.78 1f8x s ASP 35 N 0.52 6.70 0.24 3.58 3.68 0.34 -4.86 116.67 126.86 1f8x s ASP 35 Ca -0.13 -2.43 0.11 0.00 2.13 0.00 0.00 52.55 52.23 1f8x s ASP 35 Cb -0.17 -2.28 0.20 0.00 -1.45 0.00 0.00 42.92 39.23 1f8x s ASP 35 CO 0.05 -0.75 1.51 0.25 0.13 0.00 0.00 175.17 176.36 1f8x h LEU 36 N 8.73 0.00 -2.48 -1.34 5.85 -1.89 -3.05 115.31 121.13 1f8x h LEU 36 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1f8x h LEU 36 Cb 1.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1f8x h LEU 36 CO 0.88 0.69 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.57 1f8x h GLU 37 N 0.00 0.00 -0.16 1.25 4.57 -1.99 -1.83 114.58 116.42 1f8x h GLU 37 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1f8x h GLU 37 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1f8x h GLU 37 CO 0.09 0.02 0.00 0.09 -1.18 0.00 0.00 179.01 178.03 1f8x n ASN 38 N -3.53 2.37 -4.89 1.04 5.03 -1.20 -5.04 115.26 109.05 1f8x n ASN 38 Ca -0.03 -1.92 -0.30 0.00 0.87 0.00 0.00 54.58 53.20 1f8x n ASN 38 Cb 0.12 -0.11 0.06 0.00 -1.02 0.00 0.00 39.78 38.83 1f8x n ASN 38 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1f8x s SER 39 N -0.95 5.25 -0.24 6.41 0.01 -0.69 -4.87 113.70 118.62 1f8x s SER 39 Ca 0.11 1.06 -0.07 0.00 1.31 0.00 0.00 55.95 58.36 1f8x s SER 39 Cb 0.06 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1f8x s SER 39 CO 0.08 -1.46 0.06 -0.47 0.41 0.00 0.00 173.24 171.86 1f8x s TYR 40 N -3.41 3.07 -0.27 2.43 6.14 -0.59 -4.98 117.35 119.74 1f8x s TYR 40 Ca 0.59 -0.46 -0.00 0.00 0.64 0.00 0.00 57.07 57.84 1f8x s TYR 40 Cb -0.11 -2.22 0.05 0.00 0.42 0.00 0.00 41.96 40.10 1f8x s TYR 40 CO 0.51 -0.36 -0.05 0.08 0.64 0.00 0.00 175.55 176.37 1f8x s VAL 41 N 1.55 2.73 0.12 3.14 1.01 -1.26 -1.20 120.40 126.49 1f8x s VAL 41 Ca 0.06 -1.35 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 1f8x s VAL 41 Cb -0.15 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 1f8x s VAL 41 CO 0.03 0.01 1.42 -0.65 0.00 0.00 0.00 175.10 175.91 1f8x h PRO 42 N 7.94 -0.01 0.00 2.72 0.11 -1.97 -1.01 132.00 139.78 1f8x h PRO 42 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1f8x h PRO 42 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f8x h PRO 42 CO 0.53 -0.01 0.23 1.28 -0.21 0.00 0.00 178.00 179.82 1f8x n LEU 43 N -4.76 0.28 -1.18 2.35 4.77 -1.26 0.43 117.00 117.63 1f8x n LEU 43 Ca 0.01 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.62 1f8x n LEU 43 Cb 0.21 -0.50 0.28 0.00 -2.33 0.00 0.00 43.42 41.07 1f8x n LEU 43 CO -0.12 -0.62 0.74 0.47 -1.33 0.00 0.00 177.39 176.53 1f8x n ASP 44 N -1.90 3.79 -0.77 -1.43 10.43 -0.39 -4.46 116.55 121.82 1f8x n ASP 44 Ca -0.01 -2.08 0.01 0.00 2.57 0.00 0.00 54.79 55.28 1f8x n ASP 44 Cb 0.24 -0.43 0.01 0.00 1.84 0.00 0.00 41.12 42.77 1f8x n ASP 44 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1f8x n ASN 45 N 1.23 0.27 -4.76 -2.24 4.13 0.17 -5.00 115.26 109.06 1f8x n ASN 45 Ca 0.21 -1.99 -0.37 0.00 1.68 0.00 0.00 54.58 54.11 1f8x n ASN 45 Cb 0.61 -0.23 0.02 0.00 -1.54 0.00 0.00 39.78 38.65 1f8x n ASN 45 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1f8x s GLN 46 N 0.00 3.27 0.31 3.52 -1.52 -1.18 -4.89 119.66 119.18 1f8x s GLN 46 Ca 0.09 1.88 -0.29 0.00 -1.95 0.00 0.00 55.36 55.10 1f8x s GLN 46 Cb 0.11 -2.15 -0.13 0.00 -0.22 0.00 0.00 33.01 30.62 1f8x s GLN 46 CO -0.05 -0.98 1.34 0.98 -0.25 0.00 0.00 175.29 176.34 1f8x n TYR 47 N -1.11 2.28 -0.86 0.91 4.19 -1.26 -1.38 117.16 119.94 1f8x n TYR 47 Ca 0.11 0.50 0.00 0.00 3.31 0.00 0.00 57.90 61.82 1f8x n TYR 47 Cb 0.48 -2.44 0.00 0.00 0.49 0.00 0.00 39.34 37.87 1f8x n TYR 47 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1f8x n LYS 48 N 1.06 -1.56 -1.76 2.98 5.02 -1.26 -1.70 118.16 120.94 1f8x n LYS 48 Ca 0.07 0.38 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 1f8x n LYS 48 Cb 0.35 -4.79 -0.02 0.00 -0.02 0.00 0.00 35.03 30.55 1f8x n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f8x n GLY 49 N 0.34 0.49 3.30 0.72 0.00 -0.48 -5.02 105.19 104.54 1f8x n GLY 49 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1f8x n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1f8x s ILE 50 N -2.40 2.83 0.03 -0.61 -5.25 -0.69 -4.98 121.20 110.14 1f8x s ILE 50 Ca 0.00 -0.72 -0.23 0.00 -0.99 0.00 0.00 60.65 58.71 1f8x s ILE 50 Cb 0.00 -2.20 -0.06 0.00 2.95 0.00 0.00 42.46 43.16 1f8x s ILE 50 CO 0.00 0.51 0.69 -0.13 -1.79 0.00 0.00 174.94 174.22 1f8x s ARG 51 N 0.68 4.41 0.54 0.37 0.52 -1.26 -4.61 118.95 119.61 1f8x s ARG 51 Ca -0.07 0.92 0.34 0.00 -0.52 0.00 0.00 55.73 56.41 1f8x s ARG 51 Cb -0.16 -3.34 1.47 0.00 0.52 0.00 0.00 34.95 33.45 1f8x s ARG 51 CO 0.02 0.35 2.01 -0.39 0.02 0.00 0.00 175.30 177.31 1f8x h VAL 52 N 4.04 0.00 0.00 3.52 -1.51 -1.96 -1.31 116.25 119.03 1f8x h VAL 52 Ca -0.45 -0.42 -0.15 0.00 -1.23 0.00 0.00 66.70 64.46 1f8x h VAL 52 Cb 1.20 1.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.73 1f8x h VAL 52 CO 0.70 0.00 -0.70 -2.24 -1.23 0.00 0.00 177.57 174.10 1f8x h ASP 53 N 0.00 0.00 1.17 4.19 3.04 -1.98 -2.48 116.42 120.36 1f8x h ASP 53 Ca 0.00 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.70 1f8x h ASP 53 Cb 0.43 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.71 1f8x h ASP 53 CO 0.00 0.70 -0.87 -0.33 -2.04 0.00 0.00 179.24 176.70 1f8x h GLU 54 N 0.00 0.00 -2.21 4.15 5.08 -1.80 -3.40 114.58 116.40 1f8x h GLU 54 Ca -0.01 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1f8x h GLU 54 Cb 1.43 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.29 1f8x h GLU 54 CO 0.09 0.23 -1.01 0.72 -1.00 0.00 0.00 179.01 178.04 1f8x n HIS 55 N -2.96 -0.32 0.10 4.33 8.25 -0.56 -4.98 115.22 119.08 1f8x n HIS 55 Ca -0.02 -3.50 0.05 0.00 -0.26 0.00 0.00 57.72 53.99 1f8x n HIS 55 Cb 0.70 -0.10 0.25 0.00 1.12 0.00 0.00 29.99 31.96 1f8x n HIS 55 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1f8x n PRO 56 N 2.04 0.06 0.00 -0.41 -0.04 -0.94 -1.59 135.00 134.12 1f8x n PRO 56 Ca 0.25 0.49 0.06 0.00 -0.04 0.00 0.00 63.50 64.26 1f8x n PRO 56 Cb 0.50 -1.93 0.32 0.00 -0.04 0.00 0.00 33.50 32.35 1f8x n PRO 56 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1f8x n GLU 57 N -1.81 0.22 -0.07 0.54 0.00 -1.26 -1.68 120.64 116.58 1f8x n GLU 57 Ca -0.01 0.14 0.11 0.00 0.00 0.00 0.00 57.16 57.40 1f8x n GLU 57 Cb 0.24 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.31 1f8x n GLU 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1f8x n TYR 58 N -1.23 0.19 -0.07 -1.84 4.01 -0.62 -4.57 117.16 113.03 1f8x n TYR 58 Ca 0.07 -0.11 0.13 0.00 -0.16 0.00 0.00 57.90 57.83 1f8x n TYR 58 Cb 0.09 -0.00 0.53 0.00 -0.31 0.00 0.00 39.34 39.65 1f8x n TYR 58 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1f8x h LEU 59 N 4.08 0.31 -3.06 7.72 3.38 -1.54 -2.29 115.31 123.90 1f8x h LEU 59 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f8x h LEU 59 Cb 0.89 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1f8x h LEU 59 CO 0.00 0.18 0.00 1.41 0.09 0.00 0.00 178.44 180.12 1f8x n HIS 60 N -4.46 0.31 -2.54 1.13 8.25 -1.26 -4.96 115.22 111.68 1f8x n HIS 60 Ca 0.10 -0.84 -0.41 0.00 -0.26 0.00 0.00 57.72 56.31 1f8x n HIS 60 Cb 0.42 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 1f8x n HIS 60 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1f8x s ASP 61 N -2.16 6.16 0.45 0.41 -1.08 -0.86 -4.88 116.67 114.70 1f8x s ASP 61 Ca 0.29 -0.48 0.14 0.00 -0.52 0.00 0.00 52.55 51.98 1f8x s ASP 61 Cb 0.24 -2.56 1.05 0.00 -1.46 0.00 0.00 42.92 40.19 1f8x s ASP 61 CO 0.05 -1.84 2.01 0.11 0.52 0.00 0.00 175.17 176.03 1f8x h LYS 62 N 10.10 0.36 -0.27 4.34 1.57 -1.93 -1.76 116.57 128.98 1f8x h LYS 62 Ca -0.26 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1f8x h LYS 62 Cb 1.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1f8x h LYS 62 CO 1.28 0.24 -0.22 0.28 -0.57 0.00 0.00 179.45 180.46 1f8x h VAL 63 N 0.37 1.31 -0.12 0.50 2.07 -1.98 -0.49 116.25 117.91 1f8x h VAL 63 Ca 0.22 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1f8x h VAL 63 Cb 0.41 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1f8x h VAL 63 CO -0.05 0.43 0.06 -0.25 0.02 0.00 0.00 177.57 177.78 1f8x h TRP 64 N 0.36 0.17 -0.28 1.57 7.01 -1.78 -1.10 115.95 121.90 1f8x h TRP 64 Ca 0.05 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.07 1f8x h TRP 64 Cb 0.77 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 1f8x h TRP 64 CO 0.07 0.19 0.11 0.00 -2.79 0.00 0.00 178.44 176.01 1f8x h ALA 65 N 0.96 0.32 0.06 2.65 0.00 -1.31 -1.08 119.26 120.87 1f8x h ALA 65 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1f8x h ALA 65 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1f8x h ALA 65 CO -0.01 -0.30 -0.17 1.15 0.00 0.00 0.00 179.25 179.93 1f8x h THR 66 N 0.24 0.61 -0.12 0.00 2.02 -0.83 -0.17 112.91 114.66 1f8x h THR 66 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1f8x h THR 66 Cb 0.08 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1f8x h THR 66 CO -0.11 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.83 1f8x h ALA 67 N 0.57 0.15 -0.63 6.16 0.00 -1.09 -0.25 119.26 124.17 1f8x h ALA 67 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1f8x h ALA 67 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1f8x h ALA 67 CO -0.12 -0.27 0.42 1.15 0.00 0.00 0.00 179.25 180.43 1f8x h THR 68 N 0.05 1.16 -0.12 0.00 2.02 -1.13 0.27 112.91 115.17 1f8x h THR 68 Ca 0.04 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1f8x h THR 68 Cb 0.14 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1f8x h THR 68 CO -0.00 0.16 0.06 0.22 0.37 0.00 0.00 175.52 176.32 1f8x h TYR 69 N 0.86 0.17 -0.34 3.16 3.20 -0.92 -1.73 116.97 121.37 1f8x h TYR 69 Ca 0.23 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1f8x h TYR 69 Cb -0.10 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1f8x h TYR 69 CO -0.03 0.22 0.00 -0.91 -1.64 0.00 0.00 178.16 175.80 1f8x h ASN 70 N 0.08 0.49 -0.49 -2.11 -0.26 -0.53 -1.73 115.58 111.03 1f8x h ASN 70 Ca 0.04 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.58 1f8x h ASN 70 Cb 0.11 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1f8x h ASN 70 CO -0.01 0.56 -0.14 -1.13 -1.06 0.00 0.00 177.43 175.65 1f8x h ASN 71 N 0.50 0.97 -0.23 5.81 -0.00 -0.24 -2.35 115.58 120.05 1f8x h ASN 71 Ca 0.11 -0.37 -0.03 0.00 -0.00 0.00 0.00 56.30 56.01 1f8x h ASN 71 Cb 0.32 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.37 1f8x h ASN 71 CO 0.01 1.12 0.04 0.44 -0.00 0.00 0.00 177.43 179.04 1f8x h ASP 72 N 0.81 0.37 -0.66 1.15 3.32 -0.63 -0.25 116.42 120.54 1f8x h ASP 72 Ca 0.12 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1f8x h ASP 72 Cb 0.71 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1f8x h ASP 72 CO 0.05 0.53 0.44 -0.07 -1.72 0.00 0.00 179.24 178.47 1f8x h LEU 73 N 0.19 0.73 -0.98 1.55 3.38 -1.35 -1.17 115.31 117.66 1f8x h LEU 73 Ca 0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1f8x h LEU 73 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1f8x h LEU 73 CO 0.00 0.52 -0.35 -1.13 0.09 0.00 0.00 178.44 177.58 1f8x h ASN 74 N 0.86 0.30 -0.43 -0.43 -0.73 -0.95 -1.22 115.58 112.98 1f8x h ASN 74 Ca 0.25 -0.11 -0.15 0.00 1.87 0.00 0.00 56.30 58.16 1f8x h ASN 74 Cb -0.05 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1f8x h ASN 74 CO -0.06 0.64 -0.30 1.23 -0.37 0.00 0.00 177.43 178.56 1f8x h GLY 75 N 1.12 1.05 0.75 1.57 0.00 0.12 -1.47 103.07 106.21 1f8x h GLY 75 Ca 0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 1f8x h GLY 75 CO 0.06 0.91 -0.11 -2.22 0.00 0.00 0.00 176.54 175.18 1f8x h ILE 76 N 0.80 0.85 -0.05 2.60 2.04 -0.98 -2.95 117.51 119.82 1f8x h ILE 76 Ca 0.08 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1f8x h ILE 76 Cb 0.89 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1f8x h ILE 76 CO 0.08 0.11 -0.26 0.07 0.00 0.00 0.00 178.15 178.16 1f8x h LYS 77 N -0.55 0.08 -0.01 2.37 2.10 -1.23 -3.04 116.57 116.28 1f8x h LYS 77 Ca -0.03 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1f8x h LYS 77 Cb 0.41 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1f8x h LYS 77 CO 0.05 0.34 -0.11 0.25 -2.00 0.00 0.00 179.45 177.98 1f8x n THR 78 N -4.20 0.00 -4.14 0.07 -2.24 -0.56 -4.91 114.28 98.29 1f8x n THR 78 Ca -0.02 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 1f8x n THR 78 Cb 0.33 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1f8x n THR 78 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1f8x s ASN 79 N -2.20 4.94 -0.04 3.42 0.01 -1.12 -5.07 114.94 114.88 1f8x s ASN 79 Ca 0.32 -0.54 -0.21 0.00 -0.71 0.00 0.00 52.86 51.71 1f8x s ASN 79 Cb 0.20 -0.99 -0.15 0.00 0.41 0.00 0.00 41.25 40.72 1f8x s ASN 79 CO 0.41 -0.12 0.92 0.44 -1.51 0.00 0.00 177.10 177.24 1f8x h ASP 80 N 1.62 -0.24 -3.98 -1.22 3.32 -1.73 -3.47 116.42 110.72 1f8x h ASP 80 Ca -0.45 -0.29 -0.69 0.00 0.02 0.00 0.00 57.03 55.62 1f8x h ASP 80 Cb 1.25 0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.64 1f8x h ASP 80 CO 0.61 0.27 -0.78 -0.63 -1.72 0.00 0.00 179.24 176.99 1f8x s ILE 81 N -3.64 3.01 -0.37 0.35 -1.09 -0.73 -4.08 121.20 114.65 1f8x s ILE 81 Ca -0.12 -0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 57.22 1f8x s ILE 81 Cb 0.01 -2.22 -0.00 0.00 -1.58 0.00 0.00 42.46 38.66 1f8x s ILE 81 CO 0.47 0.47 0.41 -0.32 -1.23 0.00 0.00 174.94 174.74 1f8x s MET 82 N -1.07 3.44 -0.14 2.79 -2.45 -0.33 -1.29 119.30 120.25 1f8x s MET 82 Ca 0.13 -0.47 -0.06 0.00 -1.25 0.00 0.00 55.69 54.04 1f8x s MET 82 Cb -0.11 -3.85 -0.04 0.00 1.25 0.00 0.00 34.83 32.08 1f8x s MET 82 CO 0.03 -0.64 0.08 -1.17 1.05 0.00 0.00 175.02 174.37 1f8x s LEU 83 N 2.12 3.98 -0.24 4.11 2.96 -0.80 -0.98 118.68 129.83 1f8x s LEU 83 Ca 0.13 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1f8x s LEU 83 Cb -0.16 -1.97 0.07 0.00 0.50 0.00 0.00 46.19 44.62 1f8x s LEU 83 CO 0.13 0.30 0.02 -0.83 -1.32 0.00 0.00 176.35 174.65 1f8x s GLY 84 N -0.40 1.05 -0.27 7.98 0.00 -0.11 -0.85 107.32 114.72 1f8x s GLY 84 Ca 0.10 -1.24 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 1f8x s GLY 84 CO 0.02 1.29 1.15 0.14 0.00 0.00 0.00 173.10 175.70 1f8x s VAL 85 N 1.60 4.42 -0.08 1.40 1.01 0.64 -1.14 120.40 128.26 1f8x s VAL 85 Ca 0.01 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.66 1f8x s VAL 85 Cb -0.18 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1f8x s VAL 85 CO -0.12 -0.37 -0.11 -0.47 0.00 0.00 0.00 175.10 174.03 1f8x s TYR 86 N 3.71 2.82 -0.28 5.22 5.04 0.31 -4.52 117.35 129.65 1f8x s TYR 86 Ca 0.49 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.95 1f8x s TYR 86 Cb -0.15 -1.71 0.08 0.00 0.35 0.00 0.00 41.96 40.52 1f8x s TYR 86 CO 0.15 0.15 0.01 0.42 -1.34 0.00 0.00 175.55 174.94 1f8x s ILE 87 N -0.51 1.67 0.32 3.14 -1.09 -1.26 -4.12 121.20 119.35 1f8x s ILE 87 Ca 0.07 -1.64 0.09 0.00 -2.23 0.00 0.00 60.65 56.94 1f8x s ILE 87 Cb -0.12 -2.08 0.33 0.00 -1.58 0.00 0.00 42.46 39.01 1f8x s ILE 87 CO 0.02 -0.37 1.65 -0.65 -1.23 0.00 0.00 174.94 174.36 1f8x h PRO 88 N 7.86 0.26 -0.63 2.79 0.11 -1.91 -0.23 132.00 140.24 1f8x h PRO 88 Ca -0.13 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.72 1f8x h PRO 88 Cb 1.04 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 31.94 1f8x h PRO 88 CO 0.46 0.17 0.24 -0.40 -0.21 0.00 0.00 178.00 178.26 1f8x n ASP 89 N -5.14 3.83 -2.73 -2.05 5.68 -1.26 -4.34 116.55 110.53 1f8x n ASP 89 Ca 0.27 -3.43 -0.09 0.00 -0.50 0.00 0.00 54.79 51.04 1f8x n ASP 89 Cb 0.86 -0.71 0.09 0.00 -1.14 0.00 0.00 41.12 40.22 1f8x n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1f8x n GLU 90 N -0.70 1.06 -2.67 0.11 1.02 -0.12 -5.13 120.64 114.21 1f8x n GLU 90 Ca 0.41 -1.95 -0.43 0.00 -0.02 0.00 0.00 57.16 55.17 1f8x n GLU 90 Cb 1.30 -0.83 -0.02 0.00 -0.02 0.00 0.00 31.44 31.87 1f8x n GLU 90 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1f8x s GLU 91 N 0.16 4.35 -0.23 3.49 2.02 -1.03 -4.39 118.70 123.08 1f8x s GLU 91 Ca 0.22 1.39 -0.26 0.00 0.02 0.00 0.00 54.97 56.34 1f8x s GLU 91 Cb 0.32 -3.58 -0.00 0.00 0.10 0.00 0.00 34.13 30.96 1f8x s GLU 91 CO -0.06 -0.45 0.91 0.34 0.02 0.00 0.00 175.26 176.02 1f8x s ASP 92 N 1.16 6.95 0.39 -0.19 3.68 -1.26 -4.96 116.67 122.44 1f8x s ASP 92 Ca 0.47 1.19 0.12 0.00 2.13 0.00 0.00 52.55 56.46 1f8x s ASP 92 Cb -0.17 -2.48 0.77 0.00 -1.45 0.00 0.00 42.92 39.59 1f8x s ASP 92 CO 0.13 -0.55 1.87 1.62 0.13 0.00 0.00 175.17 178.37 1f8x h VAL 93 N 5.40 1.23 -0.62 1.11 3.04 -1.99 -1.92 116.25 122.50 1f8x h VAL 93 Ca -0.23 -1.08 -0.04 0.00 -1.01 0.00 0.00 66.70 64.35 1f8x h VAL 93 Cb 1.09 1.55 -0.03 0.00 -2.01 0.00 0.00 31.29 31.89 1f8x h VAL 93 CO 0.91 0.31 0.25 1.23 -1.01 0.00 0.00 177.57 179.26 1f8x h GLY 94 N 0.95 0.99 1.23 3.17 0.00 -2.00 -1.98 103.07 105.41 1f8x h GLY 94 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1f8x h GLY 94 CO 0.04 0.51 -0.03 -2.00 0.00 0.00 0.00 176.54 175.06 1f8x h LEU 95 N 0.86 0.90 -0.27 3.11 5.85 -1.84 -2.41 115.31 121.51 1f8x h LEU 95 Ca 0.21 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1f8x h LEU 95 Cb 0.20 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1f8x h LEU 95 CO -0.02 0.98 -0.06 1.23 -0.34 0.00 0.00 178.44 180.23 1f8x h GLY 96 N 0.99 0.21 0.79 3.75 0.00 -0.77 -0.61 103.07 107.43 1f8x h GLY 96 Ca 0.15 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.60 1f8x h GLY 96 CO 0.03 -0.10 0.21 1.98 0.00 0.00 0.00 176.54 178.66 1f8x h MET 97 N 0.01 0.41 0.00 4.80 1.85 -1.13 -0.95 114.93 119.93 1f8x h MET 97 Ca 0.13 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1f8x h MET 97 Cb 0.20 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.13 1f8x h MET 97 CO -0.27 0.27 -0.04 0.93 -0.40 0.00 0.00 176.91 177.40 1f8x h GLU 98 N 0.42 0.00 -0.08 0.39 5.08 -0.90 -0.96 114.58 118.53 1f8x h GLU 98 Ca 0.18 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1f8x h GLU 98 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1f8x h GLU 98 CO -0.13 0.04 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.77 1f8x h LEU 99 N 0.00 0.22 -1.06 1.33 3.38 0.26 -1.18 115.31 118.27 1f8x h LEU 99 Ca -0.00 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1f8x h LEU 99 Cb 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1f8x h LEU 99 CO 0.01 0.66 0.24 1.23 0.09 0.00 0.00 178.44 180.67 1f8x h GLY 100 N -0.21 0.98 0.74 0.83 0.00 -0.87 -0.25 103.07 104.29 1f8x h GLY 100 Ca 0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1f8x h GLY 100 CO 0.02 0.48 -0.19 -1.82 0.00 0.00 0.00 176.54 175.03 1f8x h TYR 101 N 0.90 0.46 -0.55 5.60 5.03 -1.23 -1.52 116.97 125.65 1f8x h TYR 101 Ca 0.21 -0.15 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1f8x h TYR 101 Cb 0.19 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 1f8x h TYR 101 CO 0.01 0.81 0.35 0.00 -1.32 0.00 0.00 178.16 178.01 1f8x h ALA 102 N 0.57 1.58 -0.51 1.82 0.00 -1.01 0.10 119.26 121.80 1f8x h ALA 102 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1f8x h ALA 102 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1f8x h ALA 102 CO 0.05 0.38 0.22 1.25 0.00 0.00 0.00 179.25 181.15 1f8x h LEU 103 N 0.75 0.69 -1.82 0.00 5.85 -0.89 -1.70 115.31 118.19 1f8x h LEU 103 Ca 0.20 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1f8x h LEU 103 Cb -0.06 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1f8x h LEU 103 CO -0.04 0.66 -0.15 0.77 -0.34 0.00 0.00 178.44 179.34 1f8x h SER 104 N 0.69 0.00 -0.42 1.25 4.64 0.02 -2.60 113.55 117.12 1f8x h SER 104 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1f8x h SER 104 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1f8x h SER 104 CO -0.02 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1f8x n GLN 105 N -3.84 2.98 -2.16 4.77 1.13 -0.30 -4.92 117.38 115.03 1f8x n GLN 105 Ca -0.02 -1.94 -0.17 0.00 -1.94 0.00 0.00 57.00 52.93 1f8x n GLN 105 Cb 0.24 -1.75 -0.02 0.00 0.11 0.00 0.00 30.24 28.83 1f8x n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f8x n GLY 106 N 0.77 0.06 3.92 1.08 0.00 -0.98 -4.99 105.19 105.05 1f8x n GLY 106 Ca 0.17 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1f8x n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f8x s LYS 107 N -4.58 3.57 -0.23 1.61 -0.14 -0.70 -5.04 119.74 114.23 1f8x s LYS 107 Ca 0.00 -0.12 -0.27 0.00 -1.36 0.00 0.00 55.97 54.22 1f8x s LYS 107 Cb 0.00 -2.66 0.00 0.00 -1.68 0.00 0.00 37.83 33.49 1f8x s LYS 107 CO 0.00 0.19 0.93 -0.47 -0.76 0.00 0.00 175.35 175.25 1f8x s TYR 108 N -2.16 3.33 -0.27 3.18 6.14 -1.26 -4.69 117.35 121.62 1f8x s TYR 108 Ca 0.42 1.31 -0.15 0.00 0.64 0.00 0.00 57.07 59.29 1f8x s TYR 108 Cb -0.10 -3.16 -0.04 0.00 0.42 0.00 0.00 41.96 39.08 1f8x s TYR 108 CO 0.32 -0.43 0.36 0.08 0.64 0.00 0.00 175.55 176.52 1f8x s VAL 109 N 2.97 5.19 -0.18 3.14 1.01 -1.26 -1.18 120.40 130.09 1f8x s VAL 109 Ca 0.40 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1f8x s VAL 109 Cb -0.15 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1f8x s VAL 109 CO 0.07 0.17 -0.11 -0.22 0.00 0.00 0.00 175.10 175.01 1f8x s LEU 110 N 2.01 2.00 -0.00 3.92 2.96 -0.15 -0.84 118.68 128.57 1f8x s LEU 110 Ca 0.14 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.23 1f8x s LEU 110 Cb -0.16 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 1f8x s LEU 110 CO 0.10 -0.12 0.33 -0.76 -1.32 0.00 0.00 176.35 174.58 1f8x s LEU 111 N 1.45 4.41 -0.15 -0.68 1.43 -0.90 -0.93 118.68 123.32 1f8x s LEU 111 Ca 0.01 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1f8x s LEU 111 Cb -0.15 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.49 1f8x s LEU 111 CO -0.09 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 175.93 1f8x s VAL 112 N -1.18 1.71 -0.07 -1.59 1.01 -0.29 -0.97 120.40 119.02 1f8x s VAL 112 Ca 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1f8x s VAL 112 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1f8x s VAL 112 CO 0.13 0.48 -0.10 -0.63 0.00 0.00 0.00 175.10 174.99 1f8x s ILE 113 N 1.34 3.46 0.30 2.22 1.01 0.04 -0.53 121.20 129.04 1f8x s ILE 113 Ca 0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 1f8x s ILE 113 Cb -0.13 -2.40 -0.13 0.00 0.01 0.00 0.00 42.46 39.81 1f8x s ILE 113 CO -0.10 0.58 1.38 -2.65 0.00 0.00 0.00 174.94 174.16 1f8x n PRO 114 N 2.43 2.19 -0.27 2.79 -0.02 -1.26 -0.48 135.00 140.38 1f8x n PRO 114 Ca -0.18 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1f8x n PRO 114 Cb 0.53 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1f8x n PRO 114 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1f8x h ASP 115 N 3.46 -0.90 -0.72 2.55 3.32 -1.94 0.91 116.42 123.09 1f8x h ASP 115 Ca -0.46 0.24 0.10 0.00 0.02 0.00 0.00 57.03 56.93 1f8x h ASP 115 Cb 1.27 0.54 -0.07 0.00 0.22 0.00 0.00 39.33 41.29 1f8x h ASP 115 CO 0.70 -0.27 0.36 1.05 -1.72 0.00 0.00 179.24 179.35 1f8x h GLU 116 N -0.04 0.58 0.00 3.56 9.09 -2.04 -1.62 114.58 124.11 1f8x h GLU 116 Ca 0.34 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.72 1f8x h GLU 116 Cb 0.58 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 1f8x h GLU 116 CO -0.80 0.38 0.00 -0.44 0.05 0.00 0.00 179.01 178.20 1f8x h ASP 117 N 0.60 0.00 -2.40 3.06 3.45 -1.28 -3.47 116.42 116.38 1f8x h ASP 117 Ca 0.36 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 57.24 1f8x h ASP 117 Cb 0.40 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 39.24 1f8x h ASP 117 CO -0.28 0.00 0.74 0.00 -1.57 0.00 0.00 179.24 178.12 1f8x n TYR 118 N -2.60 2.23 0.00 4.55 4.19 0.02 -1.99 117.16 123.57 1f8x n TYR 118 Ca 0.05 0.33 0.00 0.00 3.31 0.00 0.00 57.90 61.58 1f8x n TYR 118 Cb 0.46 -2.51 0.00 0.00 0.49 0.00 0.00 39.34 37.77 1f8x n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1f8x n GLY 119 N 2.99 2.42 3.76 2.98 0.00 -1.26 -5.04 105.19 111.03 1f8x n GLY 119 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1f8x n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f8x s LYS 120 N -0.26 3.06 0.42 1.61 1.02 -0.84 -4.09 119.74 120.67 1f8x s LYS 120 Ca 0.00 1.77 -0.25 0.00 0.02 0.00 0.00 55.97 57.51 1f8x s LYS 120 Cb 0.00 -1.95 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 1f8x s LYS 120 CO 0.00 -1.13 1.28 -1.25 -0.92 0.00 0.00 175.35 173.33 1f8x s PRO 121 N -3.33 3.87 0.27 -1.68 0.04 -1.26 -4.44 135.00 128.48 1f8x s PRO 121 Ca 0.76 2.08 0.11 0.00 0.04 0.00 0.00 61.00 64.00 1f8x s PRO 121 Cb -0.29 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1f8x s PRO 121 CO 0.32 -0.55 -0.19 0.96 0.04 0.00 0.00 177.00 177.58 1f8x s ILE 122 N -1.32 2.39 0.35 0.56 -4.36 -0.47 -4.83 121.20 113.52 1f8x s ILE 122 Ca 0.59 -2.38 -0.28 0.00 -0.26 0.00 0.00 60.65 58.32 1f8x s ILE 122 Cb -0.36 -2.29 -0.12 0.00 1.25 0.00 0.00 42.46 40.94 1f8x s ILE 122 CO 0.46 -0.41 1.28 -3.20 0.24 0.00 0.00 174.94 173.30 1f8x n ASN 123 N -0.60 2.68 -0.17 4.36 2.85 -1.26 -1.78 115.26 121.35 1f8x n ASN 123 Ca -0.05 1.20 -0.02 0.00 -0.11 0.00 0.00 54.58 55.59 1f8x n ASN 123 Cb 0.60 -1.48 0.05 0.00 1.24 0.00 0.00 39.78 40.20 1f8x n ASN 123 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1f8x h LEU 124 N 2.47 -0.38 -1.32 1.20 5.85 -1.92 -1.44 115.31 119.78 1f8x h LEU 124 Ca -0.46 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 1f8x h LEU 124 Cb 1.29 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1f8x h LEU 124 CO 0.62 -0.14 0.02 0.24 -0.34 0.00 0.00 178.44 178.84 1f8x h MET 125 N 0.05 0.48 -0.38 1.25 2.86 -1.99 -0.57 114.93 116.63 1f8x h MET 125 Ca 0.26 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 1f8x h MET 125 Cb 0.40 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1f8x h MET 125 CO -0.50 0.49 -0.32 0.77 1.06 0.00 0.00 176.91 178.41 1f8x h SER 126 N 0.46 0.93 0.14 1.22 0.02 -1.70 -2.27 113.55 112.35 1f8x h SER 126 Ca 0.10 -0.45 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 1f8x h SER 126 Cb 0.27 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1f8x h SER 126 CO 0.01 1.19 -0.19 -0.25 -1.14 0.00 0.00 176.83 176.45 1f8x h TRP 127 N 0.69 0.12 0.23 3.45 7.01 -0.76 -2.96 115.95 123.72 1f8x h TRP 127 Ca 0.07 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1f8x h TRP 127 Cb 0.91 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.93 1f8x h TRP 127 CO 0.06 0.30 -0.11 0.78 -2.79 0.00 0.00 178.44 176.69 1f8x h GLY 128 N 0.72 -0.32 1.97 2.65 0.00 -0.81 -3.36 103.07 103.94 1f8x h GLY 128 Ca 0.02 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1f8x h GLY 128 CO 0.03 -0.12 -0.17 -0.39 0.00 0.00 0.00 176.54 175.89 1f8x h VAL 129 N -0.96 1.14 -3.98 4.60 -1.51 -1.47 -3.44 116.25 110.62 1f8x h VAL 129 Ca -0.03 -0.64 -0.54 0.00 -1.23 0.00 0.00 66.70 64.25 1f8x h VAL 129 Cb 0.47 1.31 0.12 0.00 -2.13 0.00 0.00 31.29 31.06 1f8x h VAL 129 CO 0.05 0.19 0.73 -1.20 -1.23 0.00 0.00 177.57 176.11 1f8x n SER 130 N -4.32 3.46 0.03 4.19 7.64 -1.12 -4.76 113.62 118.74 1f8x n SER 130 Ca -0.02 1.14 0.03 0.00 1.01 0.00 0.00 58.87 61.03 1f8x n SER 130 Cb 0.25 -1.61 -0.08 0.00 -1.01 0.00 0.00 64.21 61.75 1f8x n SER 130 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1f8x n ASP 131 N -0.09 0.70 -3.52 6.43 8.00 -0.02 -4.95 116.55 123.11 1f8x n ASP 131 Ca 0.04 0.30 -0.08 0.00 0.71 0.00 0.00 54.79 55.76 1f8x n ASP 131 Cb 0.41 0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.96 1f8x n ASP 131 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1f8x s ASN 132 N -5.54 -0.35 -0.04 -2.24 3.04 -1.17 -0.77 114.94 107.88 1f8x s ASN 132 Ca -0.03 0.06 -0.01 0.00 0.04 0.00 0.00 52.86 52.91 1f8x s ASN 132 Cb 0.09 0.35 0.03 0.00 -1.54 0.00 0.00 41.25 40.18 1f8x s ASN 132 CO 0.82 -0.55 0.08 0.68 -3.04 0.00 0.00 177.10 175.09 1f8x s VAL 133 N -2.78 -0.04 0.21 -5.21 -7.23 -1.26 -2.11 120.40 101.98 1f8x s VAL 133 Ca 0.04 0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1f8x s VAL 133 Cb -0.01 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 1f8x s VAL 133 CO -0.07 0.07 0.01 0.27 -0.31 0.00 0.00 175.10 175.07 1f8x s ILE 134 N 0.92 0.82 0.71 -0.62 -4.36 -0.14 -4.88 121.20 113.65 1f8x s ILE 134 Ca -0.07 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.20 1f8x s ILE 134 Cb -0.10 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.33 1f8x s ILE 134 CO -0.04 -0.34 1.07 -0.54 0.24 0.00 0.00 174.94 175.34 1f8x s LYS 135 N -3.91 2.80 0.31 0.37 1.02 -1.26 -0.78 119.74 118.29 1f8x s LYS 135 Ca 0.28 0.78 0.00 0.00 0.02 0.00 0.00 55.97 57.05 1f8x s LYS 135 Cb 0.06 -1.99 0.49 0.00 -0.52 0.00 0.00 37.83 35.87 1f8x s LYS 135 CO 0.07 -1.15 1.89 1.98 -0.92 0.00 0.00 175.35 177.22 1f8x h MET 136 N -0.75 0.81 0.00 1.68 1.85 -1.07 -2.26 114.93 115.19 1f8x h MET 136 Ca -0.45 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 58.52 1f8x h MET 136 Cb 1.23 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.11 1f8x h MET 136 CO 0.59 0.67 0.00 -1.13 -0.40 0.00 0.00 176.91 176.64 1f8x n SER 137 N -4.33 0.00 -0.03 1.39 3.41 -1.26 -2.28 113.62 110.52 1f8x n SER 137 Ca 0.05 -0.39 0.05 0.00 -0.26 0.00 0.00 58.87 58.32 1f8x n SER 137 Cb 0.16 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 63.85 1f8x n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f8x n GLN 138 N -1.11 0.69 -0.13 4.33 6.02 -0.86 -4.47 117.38 121.86 1f8x n GLN 138 Ca 0.13 -0.14 0.20 0.00 -0.01 0.00 0.00 57.00 57.18 1f8x n GLN 138 Cb 0.11 -1.47 0.60 0.00 1.02 0.00 0.00 30.24 30.49 1f8x n GLN 138 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1f8x h LEU 139 N 0.00 0.21 -2.00 1.08 5.85 -1.44 -0.94 115.31 118.07 1f8x h LEU 139 Ca -0.12 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1f8x h LEU 139 Cb 1.21 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1f8x h LEU 139 CO 0.01 0.10 -0.09 0.50 -0.34 0.00 0.00 178.44 178.61 1f8x h LYS 140 N 0.22 0.00 0.00 1.25 3.64 -1.75 -3.27 116.57 116.66 1f8x h LYS 140 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1f8x h LYS 140 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1f8x h LYS 140 CO -0.07 0.09 -0.46 -0.25 -2.27 0.00 0.00 179.45 176.49 1f8x n ASP 141 N -3.99 1.65 -4.61 4.20 8.00 -0.44 -3.84 116.55 117.51 1f8x n ASP 141 Ca -0.02 -0.36 -0.59 0.00 0.71 0.00 0.00 54.79 54.53 1f8x n ASP 141 Cb 0.18 1.04 -0.08 0.00 -0.02 0.00 0.00 41.12 42.24 1f8x n ASP 141 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1f8x n PHE 142 N -1.24 1.30 -2.69 1.24 7.35 -0.69 -4.84 117.46 117.90 1f8x n PHE 142 Ca 0.00 0.91 -0.42 0.00 -0.76 0.00 0.00 57.45 57.18 1f8x n PHE 142 Cb 0.04 -2.23 -0.03 0.00 0.35 0.00 0.00 39.48 37.61 1f8x n PHE 142 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1f8x s ASN 143 N 1.31 6.29 0.00 -2.13 2.47 -1.26 -4.81 114.94 116.81 1f8x s ASN 143 Ca 0.94 -0.35 0.25 0.00 0.42 0.00 0.00 52.86 54.12 1f8x s ASN 143 Cb -1.22 -2.50 1.11 0.00 -1.45 0.00 0.00 41.25 37.18 1f8x s ASN 143 CO 0.62 -1.51 1.82 0.49 -3.72 0.00 0.00 177.10 174.80 1f8x n PHE 144 N 8.32 0.00 0.26 0.43 3.01 -1.26 -3.19 117.46 125.03 1f8x n PHE 144 Ca 0.03 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.61 1f8x n PHE 144 Cb 0.48 -0.47 0.17 0.00 -0.01 0.00 0.00 39.48 39.65 1f8x n PHE 144 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1f8x h ASN 145 N 0.00 0.00 -2.04 4.37 2.35 -1.89 -3.34 115.58 115.03 1f8x h ASN 145 Ca 0.00 -0.01 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1f8x h ASN 145 Cb 0.41 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.36 1f8x h ASN 145 CO 0.00 0.00 -0.84 0.29 -1.65 0.00 0.00 177.43 175.23 1f8x n LYS 146 N -2.91 2.51 -1.93 0.81 5.02 -1.19 -5.08 118.16 115.38 1f8x n LYS 146 Ca 0.04 -4.32 -0.42 0.00 -2.02 0.00 0.00 58.31 51.58 1f8x n LYS 146 Cb 0.52 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 1f8x n LYS 146 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1f8x s PRO 147 N -3.18 4.06 0.31 1.97 0.04 -1.25 -4.97 135.00 131.97 1f8x s PRO 147 Ca 0.45 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.77 1f8x s PRO 147 Cb 0.32 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 1f8x s PRO 147 CO -0.12 -1.01 0.04 1.03 0.04 0.00 0.00 177.00 176.99 1f8x s ARG 148 N 4.35 2.26 0.29 4.56 1.81 -1.26 -5.14 118.95 125.81 1f8x s ARG 148 Ca 0.78 -1.54 -0.07 0.00 -1.72 0.00 0.00 55.73 53.18 1f8x s ARG 148 Cb -0.34 -2.11 -0.06 0.00 -0.45 0.00 0.00 34.95 32.00 1f8x s ARG 148 CO 0.32 0.23 0.58 0.12 -0.68 0.00 0.00 175.30 175.88 1f8x s PHE 149 N -2.40 3.46 -0.16 -0.53 5.36 -1.26 -4.62 117.98 117.82 1f8x s PHE 149 Ca 0.34 0.77 -0.30 0.00 -0.96 0.00 0.00 56.93 56.77 1f8x s PHE 149 Cb -0.04 -2.20 0.13 0.00 -0.34 0.00 0.00 43.02 40.58 1f8x s PHE 149 CO 0.21 0.16 1.05 0.34 -1.46 0.00 0.00 175.22 175.52 1f8x s ASP 150 N -2.92 -0.30 0.49 6.13 3.68 0.05 -4.98 116.67 118.82 1f8x s ASP 150 Ca 0.46 0.27 -0.13 0.00 2.13 0.00 0.00 52.55 55.27 1f8x s ASP 150 Cb -0.11 0.26 -0.07 0.00 -1.45 0.00 0.00 42.92 41.55 1f8x s ASP 150 CO 0.28 -0.32 0.91 -0.36 0.13 0.00 0.00 175.17 175.80 1f8x s PHE 151 N -1.45 3.49 0.25 -5.34 0.40 -1.26 -4.09 117.98 109.97 1f8x s PHE 151 Ca 0.02 1.27 -0.29 0.00 -0.60 0.00 0.00 56.93 57.33 1f8x s PHE 151 Cb -0.01 -2.64 -0.09 0.00 0.51 0.00 0.00 43.02 40.79 1f8x s PHE 151 CO -0.02 -0.32 0.93 -0.47 0.70 0.00 0.00 175.22 176.04 1f8x s TYR 152 N -2.62 3.91 0.14 0.36 6.04 -1.26 -4.79 117.35 119.13 1f8x s TYR 152 Ca 0.55 1.86 -0.11 0.00 0.04 0.00 0.00 57.07 59.41 1f8x s TYR 152 Cb -0.10 -2.94 -0.03 0.00 -1.04 0.00 0.00 41.96 37.84 1f8x s TYR 152 CO 0.35 0.40 1.50 0.93 -1.54 0.00 0.00 175.55 177.19 1f8x h GLU 153 N 3.92 0.94 0.00 4.97 4.39 -1.97 -3.45 114.58 123.39 1f8x h GLU 153 Ca -0.46 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 58.78 1f8x h GLU 153 Cb 1.20 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1f8x h GLU 153 CO 0.67 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 180.05 1f8x n GLY 154 N 0.04 -2.49 1.78 -3.84 0.00 -1.26 -5.06 105.19 94.37 1f8x n GLY 154 Ca -0.01 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 1f8x n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f8x n ALA 155 N -3.00 0.52 -2.42 4.61 0.00 -1.26 -4.99 120.51 113.98 1f8x n ALA 155 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 53.44 52.25 1f8x n ALA 155 Cb 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 1f8x n ALA 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1f8x s VAL 156 N -0.80 1.64 0.00 0.00 -7.23 -1.26 -1.37 120.40 111.38 1f8x s VAL 156 Ca 0.25 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1f8x s VAL 156 Cb -0.02 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1f8x s VAL 156 CO 0.16 -0.32 0.35 0.00 -0.31 0.00 0.00 175.10 174.97