#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8h s TRP 7 N 0.00 2.67 0.59 0.54 -0.00 -1.26 -4.77 118.94 116.71 1f8h s TRP 7 Ca 0.00 0.71 0.31 0.00 -0.00 0.00 0.00 56.10 57.11 1f8h s TRP 7 Cb 0.00 -3.70 1.27 0.00 -0.00 0.00 0.00 33.47 31.04 1f8h s TRP 7 CO 0.00 -2.67 1.60 0.00 -0.00 0.00 0.00 176.95 175.88 1f8h h ALA 8 N 8.22 2.78 -2.98 5.86 0.00 0.47 -3.37 119.26 130.24 1f8h h ALA 8 Ca -0.37 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 1f8h h ALA 8 Cb 1.17 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1f8h h ALA 8 CO 0.92 -1.41 -0.54 0.08 0.00 0.00 0.00 179.25 178.31 1f8h s VAL 9 N -4.60 5.03 0.50 0.00 1.01 -1.26 -5.09 120.40 116.00 1f8h s VAL 9 Ca -0.04 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1f8h s VAL 9 Cb 0.17 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1f8h s VAL 9 CO 0.57 0.58 0.34 -0.54 0.00 0.00 0.00 175.10 176.06 1f8h s LYS 10 N -0.70 2.28 0.23 2.72 1.02 -1.26 -4.90 119.74 119.13 1f8h s LYS 10 Ca 0.12 -1.95 -0.05 0.00 0.02 0.00 0.00 55.97 54.12 1f8h s LYS 10 Cb -0.12 -2.08 0.23 0.00 -0.52 0.00 0.00 37.83 35.34 1f8h s LYS 10 CO 0.03 -0.47 1.72 -1.00 -0.92 0.00 0.00 175.35 174.71 1f8h h PRO 11 N 0.93 0.91 -0.33 -1.68 0.13 -1.96 1.69 132.00 131.70 1f8h h PRO 11 Ca -0.39 -0.26 -0.11 0.00 -0.87 0.00 0.00 66.00 64.37 1f8h h PRO 11 Cb 1.29 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1f8h h PRO 11 CO 0.60 0.90 -0.26 1.05 -0.23 0.00 0.00 178.00 180.06 1f8h h GLU 12 N 0.84 0.66 0.19 0.86 4.11 -1.97 1.44 114.58 120.70 1f8h h GLU 12 Ca 0.16 -0.27 -0.32 0.00 0.07 0.00 0.00 59.36 59.00 1f8h h GLU 12 Cb 0.49 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.73 1f8h h GLU 12 CO 0.02 0.85 -1.45 0.22 0.07 0.00 0.00 179.01 178.73 1f8h h ASP 13 N 0.57 0.63 1.38 3.06 3.58 -1.86 -3.14 116.42 120.63 1f8h h ASP 13 Ca 0.08 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1f8h h ASP 13 Cb 0.75 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1f8h h ASP 13 CO 0.06 1.57 0.00 0.50 -2.88 0.00 0.00 179.24 178.49 1f8h h LYS 14 N 0.11 0.00 -0.24 0.28 3.64 0.27 -2.46 116.57 118.18 1f8h h LYS 14 Ca -0.23 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.97 1f8h h LYS 14 Cb 2.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1f8h h LYS 14 CO 0.23 0.00 -0.56 0.00 -2.27 0.00 0.00 179.45 176.85 1f8h h ALA 15 N 2.24 0.38 0.00 5.00 0.00 0.20 -0.36 119.26 126.73 1f8h h ALA 15 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1f8h h ALA 15 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1f8h h ALA 15 CO 0.00 0.61 -0.52 1.57 0.00 0.00 0.00 179.25 180.91 1f8h h LYS 16 N 0.54 0.00 -0.13 0.00 2.10 -1.49 -2.96 116.57 114.63 1f8h h LYS 16 Ca -0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1f8h h LYS 16 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 1f8h h LYS 16 CO 0.12 0.52 -0.55 1.88 -2.00 0.00 0.00 179.45 179.42 1f8h h TYR 17 N 0.00 0.48 0.00 0.07 0.05 -1.21 -2.69 116.97 113.68 1f8h h TYR 17 Ca -0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 1f8h h TYR 17 Cb 1.18 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1f8h h TYR 17 CO 0.00 0.85 -0.07 0.22 -1.05 0.00 0.00 178.16 178.10 1f8h h ASP 18 N 0.30 0.00 0.53 3.88 1.82 -0.89 0.26 116.42 122.31 1f8h h ASP 18 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 1f8h h ASP 18 Cb 1.06 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.08 1f8h h ASP 18 CO 0.09 0.07 -1.34 0.00 -1.61 0.00 0.00 179.24 176.46 1f8h h ALA 19 N 1.93 0.06 0.01 -0.78 0.00 -1.44 0.03 119.26 119.07 1f8h h ALA 19 Ca -0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 54.91 53.81 1f8h h ALA 19 Cb 0.49 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1f8h h ALA 19 CO 0.01 0.93 -0.88 0.82 0.00 0.00 0.00 179.25 180.14 1f8h h ILE 20 N 0.09 1.58 -0.13 0.00 2.04 -1.26 -0.69 117.51 119.15 1f8h h ILE 20 Ca -0.18 -2.85 -0.23 0.00 1.00 0.00 0.00 64.86 62.60 1f8h h ILE 20 Cb 2.02 2.57 0.01 0.00 -0.74 0.00 0.00 36.82 40.68 1f8h h ILE 20 CO 0.21 0.82 -0.82 0.15 0.00 0.00 0.00 178.15 178.51 1f8h h PHE 21 N 0.03 1.05 -0.07 1.37 3.04 -0.50 -2.97 116.94 118.89 1f8h h PHE 21 Ca -0.02 -0.48 0.00 0.00 3.98 0.00 0.00 57.97 61.45 1f8h h PHE 21 Cb 1.53 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.89 1f8h h PHE 21 CO 0.01 1.31 0.00 -3.47 -2.02 0.00 0.00 178.31 174.14 1f8h n ASP 22 N -3.92 1.05 0.02 0.41 2.03 -0.01 -3.39 116.55 112.74 1f8h n ASP 22 Ca -0.08 -1.50 0.12 0.00 0.52 0.00 0.00 54.79 53.86 1f8h n ASP 22 Cb 0.77 -0.04 0.23 0.00 -0.72 0.00 0.00 41.12 41.36 1f8h n ASP 22 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1f8h n SER 23 N -0.13 0.54 -0.00 1.67 7.64 -0.27 -3.63 113.62 119.44 1f8h n SER 23 Ca 0.18 -0.13 0.11 0.00 1.01 0.00 0.00 58.87 60.03 1f8h n SER 23 Cb 0.25 0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.55 1f8h n SER 23 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f8h n LEU 24 N -1.68 0.49 -1.05 -3.43 4.77 -1.22 -5.02 117.00 109.86 1f8h n LEU 24 Ca 0.05 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1f8h n LEU 24 Cb 0.37 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1f8h n LEU 24 CO 0.35 0.12 0.00 -0.24 -1.33 0.00 0.00 177.39 176.29 1f8h n SER 25 N -1.89 -1.40 -4.78 -1.43 2.88 -1.24 -5.04 113.62 100.72 1f8h n SER 25 Ca -0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1f8h n SER 25 Cb 0.45 -0.70 0.02 0.00 -0.75 0.00 0.00 64.21 63.23 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f8h s PRO 26 N -0.83 3.20 -0.21 -1.46 0.04 -1.26 -4.95 135.00 129.53 1f8h s PRO 26 Ca 0.00 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1f8h s PRO 26 Cb 0.00 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1f8h s PRO 26 CO 0.00 -0.94 -0.15 0.08 0.04 0.00 0.00 177.00 176.03 1f8h s VAL 27 N -2.11 2.26 -0.55 -0.36 1.01 -0.41 -4.52 120.40 115.72 1f8h s VAL 27 Ca 0.69 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1f8h s VAL 27 Cb -0.21 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1f8h s VAL 27 CO 0.33 0.37 0.00 -3.20 0.00 0.00 0.00 175.10 172.60 1f8h n ASN 28 N 4.60 -5.32 -0.10 3.32 5.15 -1.26 -1.44 115.26 120.21 1f8h n ASN 28 Ca -0.19 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1f8h n ASN 28 Cb 0.48 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.45 1f8h n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f8h n GLY 29 N -0.10 1.13 2.96 8.20 0.00 -1.26 -5.05 105.19 111.06 1f8h n GLY 29 Ca -0.05 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1f8h n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f8h s PHE 30 N -2.19 0.55 -0.09 1.61 0.08 -0.52 -3.02 117.98 114.40 1f8h s PHE 30 Ca 0.00 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 1f8h s PHE 30 Cb 0.00 -0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 1f8h s PHE 30 CO 0.00 -0.04 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.53 1f8h s LEU 31 N 0.03 3.26 0.19 -0.37 1.43 -0.62 -1.29 118.68 121.32 1f8h s LEU 31 Ca 0.00 -0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1f8h s LEU 31 Cb -0.04 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 1f8h s LEU 31 CO -0.00 0.32 0.74 -0.94 0.23 0.00 0.00 176.35 176.70 1f8h s SER 32 N -0.54 7.21 0.60 2.29 1.04 -1.26 0.18 113.70 123.21 1f8h s SER 32 Ca 0.08 1.52 0.29 0.00 0.48 0.00 0.00 55.95 58.33 1f8h s SER 32 Cb -0.12 -2.46 1.14 0.00 0.10 0.00 0.00 66.02 64.69 1f8h s SER 32 CO 0.02 0.12 1.48 1.23 0.98 0.00 0.00 173.24 177.07 1f8h h GLY 33 N 3.87 0.00 2.00 7.32 0.00 -1.78 2.48 103.07 116.95 1f8h h GLY 33 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1f8h h GLY 33 CO 0.65 0.00 -0.20 -1.80 0.00 0.00 0.00 176.54 175.20 1f8h h ASP 34 N 0.00 0.00 0.23 0.19 3.58 -1.90 0.62 116.42 119.14 1f8h h ASP 34 Ca 0.46 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.57 1f8h h ASP 34 Cb 2.55 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.56 1f8h h ASP 34 CO -0.00 0.20 -2.00 0.29 -2.88 0.00 0.00 179.24 174.84 1f8h n LYS 35 N -3.48 0.69 0.02 0.28 5.02 0.83 -4.25 118.16 117.27 1f8h n LYS 35 Ca -0.01 0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 56.33 1f8h n LYS 35 Cb 0.37 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 1f8h n LYS 35 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f8h h VAL 36 N 0.03 1.31 -0.87 -0.18 2.07 -1.21 -3.14 116.25 114.27 1f8h h VAL 36 Ca -0.41 -2.14 0.13 0.00 0.82 0.00 0.00 66.70 65.10 1f8h h VAL 36 Cb 2.04 2.34 -0.14 0.00 -1.52 0.00 0.00 31.29 34.01 1f8h h VAL 36 CO 0.06 0.66 -0.40 0.50 0.02 0.00 0.00 177.57 178.40 1f8h h LYS 37 N 0.31 -0.06 -0.14 1.57 3.64 0.08 0.67 116.57 122.64 1f8h h LYS 37 Ca -0.10 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1f8h h LYS 37 Cb 1.54 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1f8h h LYS 37 CO 0.18 -0.04 -0.29 -1.00 -2.27 0.00 0.00 179.45 176.02 1f8h h PRO 38 N -0.06 0.26 -0.25 1.90 0.13 -1.75 0.13 132.00 132.37 1f8h h PRO 38 Ca 0.29 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1f8h h PRO 38 Cb 0.57 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1f8h h PRO 38 CO -0.89 0.54 -0.05 0.28 -0.23 0.00 0.00 178.00 177.65 1f8h h VAL 39 N 0.23 1.18 0.00 1.56 2.07 0.22 -2.53 116.25 118.99 1f8h h VAL 39 Ca 0.03 -0.73 -0.21 0.00 0.82 0.00 0.00 66.70 66.61 1f8h h VAL 39 Cb 0.64 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1f8h h VAL 39 CO 0.05 0.24 -1.50 -0.07 0.02 0.00 0.00 177.57 176.31 1f8h h LEU 40 N 0.37 0.00 -0.89 2.57 3.38 -0.06 -3.28 115.31 117.40 1f8h h LEU 40 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1f8h h LEU 40 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1f8h h LEU 40 CO 0.01 0.73 0.00 -0.07 0.09 0.00 0.00 178.44 179.20 1f8h h LEU 41 N 0.00 0.00 -0.78 1.67 3.38 -0.42 -1.53 115.31 117.63 1f8h h LEU 41 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1f8h h LEU 41 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1f8h h LEU 41 CO 0.06 0.00 -0.13 0.59 0.09 0.00 0.00 178.44 179.05 1f8h n ASN 42 N -2.30 1.35 -0.32 -0.43 3.02 -0.98 -3.94 115.26 111.66 1f8h n ASN 42 Ca 0.01 -1.24 0.01 0.00 -0.03 0.00 0.00 54.58 53.34 1f8h n ASN 42 Cb 0.20 0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.49 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1f8h n SER 43 N -0.17 0.82 -0.07 6.41 3.41 -0.58 -4.82 113.62 118.62 1f8h n SER 43 Ca 0.15 -2.03 -0.01 0.00 -0.26 0.00 0.00 58.87 56.72 1f8h n SER 43 Cb 0.36 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1f8h n SER 43 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1f8h n LYS 44 N -0.13 -1.62 -3.98 4.33 0.00 -1.25 -4.75 118.16 110.75 1f8h n LYS 44 Ca 0.03 0.45 -0.22 0.00 0.00 0.00 0.00 58.31 58.57 1f8h n LYS 44 Cb 0.16 -4.68 -0.02 0.00 0.00 0.00 0.00 35.03 30.49 1f8h n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1f8h s LEU 45 N -0.21 4.28 0.92 3.14 1.43 -1.26 -5.07 118.68 121.91 1f8h s LEU 45 Ca 0.00 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1f8h s LEU 45 Cb 0.00 -2.83 0.15 0.00 0.03 0.00 0.00 46.19 43.54 1f8h s LEU 45 CO 0.00 -0.05 1.17 -2.16 0.23 0.00 0.00 176.35 175.54 1f8h s PRO 46 N -3.84 1.06 0.00 1.29 0.04 -1.26 -4.83 135.00 127.46 1f8h s PRO 46 Ca 0.34 0.12 0.18 0.00 0.04 0.00 0.00 61.00 61.69 1f8h s PRO 46 Cb -0.09 -1.85 1.00 0.00 0.04 0.00 0.00 34.50 33.60 1f8h s PRO 46 CO 0.29 -2.22 1.54 0.28 0.04 0.00 0.00 177.00 176.93 1f8h n VAL 47 N -3.75 0.28 0.07 -0.36 0.31 -1.26 -2.36 118.33 111.26 1f8h n VAL 47 Ca 0.09 0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1f8h n VAL 47 Cb 0.60 -0.77 -0.10 0.00 -0.91 0.00 0.00 33.84 32.65 1f8h n VAL 47 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1f8h h ASP 48 N 0.00 0.08 0.23 4.52 3.58 -1.97 0.59 116.42 123.44 1f8h h ASP 48 Ca 0.00 -0.08 -0.35 0.00 0.42 0.00 0.00 57.03 57.03 1f8h h ASP 48 Cb 0.10 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.15 1f8h h ASP 48 CO 0.00 1.04 -1.68 0.40 -2.88 0.00 0.00 179.24 176.12 1f8h h ILE 49 N 0.02 1.03 0.00 2.25 1.08 -1.83 -2.99 117.51 117.07 1f8h h ILE 49 Ca -0.03 -2.58 -0.08 0.00 -0.39 0.00 0.00 64.86 61.78 1f8h h ILE 49 Cb 1.76 2.83 -0.01 0.00 -3.07 0.00 0.00 36.82 38.32 1f8h h ILE 49 CO 0.14 0.85 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.98 1f8h h LEU 50 N 0.11 0.00 -0.64 1.44 3.38 -1.60 1.44 115.31 119.44 1f8h h LEU 50 Ca -0.32 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 1f8h h LEU 50 Cb 2.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.85 1f8h h LEU 50 CO 0.20 0.39 -0.48 1.23 0.09 0.00 0.00 178.44 179.88 1f8h h GLY 51 N 2.05 0.00 0.00 0.83 0.00 -0.93 -2.40 103.07 102.61 1f8h h GLY 51 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1f8h h GLY 51 CO 0.05 0.00 -2.17 -2.13 0.00 0.00 0.00 176.54 172.29 1f8h n ARG 52 N -3.47 0.73 0.04 4.80 0.63 -0.93 -3.81 116.66 114.65 1f8h n ARG 52 Ca 0.00 -0.09 -0.13 0.00 -0.92 0.00 0.00 57.85 56.71 1f8h n ARG 52 Cb 0.60 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.99 1f8h n ARG 52 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1f8h h VAL 53 N 0.00 1.36 -0.09 5.15 2.07 0.20 -2.80 116.25 122.13 1f8h h VAL 53 Ca -0.29 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.01 1f8h h VAL 53 Cb 1.64 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1f8h h VAL 53 CO 0.02 0.67 -0.03 -0.25 0.02 0.00 0.00 177.57 177.99 1f8h h TRP 54 N 0.33 0.21 0.15 1.57 2.91 -1.62 -0.95 115.95 118.55 1f8h h TRP 54 Ca -0.05 -0.05 0.02 0.00 1.13 0.00 0.00 58.89 59.93 1f8h h TRP 54 Cb 1.43 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.98 1f8h h TRP 54 CO 0.06 0.52 -0.45 0.93 -1.03 0.00 0.00 178.44 178.47 1f8h h GLU 55 N -0.15 -0.68 0.00 2.65 4.39 -1.65 2.52 114.58 121.66 1f8h h GLU 55 Ca 0.02 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1f8h h GLU 55 Cb 0.46 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1f8h h GLU 55 CO 0.01 -0.45 0.00 -0.07 -1.16 0.00 0.00 179.01 177.34 1f8h h LEU 56 N -0.70 0.00 0.01 1.33 3.38 -1.54 0.14 115.31 117.93 1f8h h LEU 56 Ca 0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1f8h h LEU 56 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1f8h h LEU 56 CO -0.24 0.00 -1.44 -1.28 0.09 0.00 0.00 178.44 175.57 1f8h h SER 57 N 0.00 0.04 -2.15 -0.43 0.87 0.14 -3.43 113.55 108.58 1f8h h SER 57 Ca 0.00 -0.06 -0.51 0.00 -1.23 0.00 0.00 61.79 59.99 1f8h h SER 57 Cb 0.13 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1f8h h SER 57 CO 0.00 1.05 1.30 -0.62 -0.53 0.00 0.00 176.83 178.03 1f8h s ASP 58 N -6.39 5.48 0.04 6.23 -1.08 0.80 -4.59 116.67 117.15 1f8h s ASP 58 Ca -0.03 0.35 -0.17 0.00 -0.52 0.00 0.00 52.55 52.18 1f8h s ASP 58 Cb 0.09 -2.53 -0.23 0.00 -1.46 0.00 0.00 42.92 38.79 1f8h s ASP 58 CO 0.82 -2.21 1.15 0.40 0.52 0.00 0.00 175.17 175.85 1f8h h ILE 59 N 6.76 1.36 -0.01 4.11 1.08 -1.84 -3.33 117.51 125.64 1f8h h ILE 59 Ca -0.27 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1f8h h ILE 59 Cb 1.15 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.36 1f8h h ILE 59 CO 1.20 0.64 -0.37 -0.90 -0.69 0.00 0.00 178.15 178.03 1f8h n ASP 60 N -4.07 1.72 -3.40 1.72 5.68 -1.26 -4.99 116.55 111.95 1f8h n ASP 60 Ca -0.10 -1.36 -0.20 0.00 -0.50 0.00 0.00 54.79 52.62 1f8h n ASP 60 Cb 0.75 0.47 0.08 0.00 -1.14 0.00 0.00 41.12 41.28 1f8h n ASP 60 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1f8h n HIS 61 N -0.09 -2.48 -1.12 2.11 8.25 -1.25 -4.88 115.22 115.75 1f8h n HIS 61 Ca 0.07 0.94 -0.13 0.00 -0.26 0.00 0.00 57.72 58.34 1f8h n HIS 61 Cb 0.37 -4.91 0.26 0.00 1.12 0.00 0.00 29.99 26.83 1f8h n HIS 61 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1f8h n ASP 62 N -2.92 4.45 -2.62 0.41 5.68 -1.26 -4.86 116.55 115.44 1f8h n ASP 62 Ca -0.12 -3.38 -0.20 0.00 -0.50 0.00 0.00 54.79 50.59 1f8h n ASP 62 Cb 0.60 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1f8h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f8h n GLY 63 N -0.53 -0.51 3.30 6.12 0.00 -1.26 -4.94 105.19 107.37 1f8h n GLY 63 Ca 0.49 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 1f8h n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f8h s MET 64 N -5.27 1.03 -0.31 1.61 -1.94 -1.26 -2.18 119.30 110.98 1f8h s MET 64 Ca 0.10 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.25 1f8h s MET 64 Cb -0.05 0.42 0.09 0.00 2.01 0.00 0.00 34.83 37.31 1f8h s MET 64 CO 0.13 -0.38 0.03 -0.51 -0.01 0.00 0.00 175.02 174.28 1f8h s LEU 65 N -2.85 3.75 0.72 -0.03 1.43 0.48 -4.78 118.68 117.41 1f8h s LEU 65 Ca 0.06 -1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 51.20 1f8h s LEU 65 Cb 0.03 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1f8h s LEU 65 CO -0.09 -0.35 1.11 -1.81 0.23 0.00 0.00 176.35 175.43 1f8h s ASP 66 N 1.16 4.73 0.33 2.29 1.01 -1.26 -1.59 116.67 123.33 1f8h s ASP 66 Ca 0.07 1.93 0.19 0.00 0.71 0.00 0.00 52.55 55.45 1f8h s ASP 66 Cb -0.19 -2.54 1.17 0.00 1.01 0.00 0.00 42.92 42.38 1f8h s ASP 66 CO -0.12 -1.89 1.35 -2.11 0.21 0.00 0.00 175.17 172.62 1f8h n ARG 67 N -3.01 -0.05 0.10 8.23 1.85 -1.17 0.23 116.66 122.85 1f8h n ARG 67 Ca 0.10 1.16 -0.16 0.00 -1.00 0.00 0.00 57.85 57.96 1f8h n ARG 67 Cb 0.52 -2.12 -0.13 0.00 -1.05 0.00 0.00 32.46 29.69 1f8h n ARG 67 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1f8h h ASP 68 N 0.00 0.43 -0.03 2.89 3.32 -1.88 -2.87 116.42 118.28 1f8h h ASP 68 Ca 0.73 -0.45 -0.23 0.00 0.02 0.00 0.00 57.03 57.10 1f8h h ASP 68 Cb 2.00 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 41.43 1f8h h ASP 68 CO -0.62 1.34 -0.90 -0.33 -1.72 0.00 0.00 179.24 177.01 1f8h h GLU 69 N 0.09 0.66 0.00 3.56 5.08 0.26 -2.95 114.58 121.28 1f8h h GLU 69 Ca -0.13 -0.67 -0.01 0.00 -1.00 0.00 0.00 59.36 57.55 1f8h h GLU 69 Cb 1.92 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 31.35 1f8h h GLU 69 CO 0.20 1.27 -0.05 0.35 -1.00 0.00 0.00 179.01 179.77 1f8h h PHE 70 N 0.32 0.00 -0.13 4.33 3.04 0.12 -2.30 116.94 122.32 1f8h h PHE 70 Ca -0.10 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.74 1f8h h PHE 70 Cb 1.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.07 1f8h h PHE 70 CO 0.11 0.05 -0.32 0.00 -2.02 0.00 0.00 178.31 176.13 1f8h h ALA 71 N 1.95 0.22 0.00 2.41 0.00 -1.33 -2.76 119.26 119.75 1f8h h ALA 71 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1f8h h ALA 71 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1f8h h ALA 71 CO 0.01 0.26 -0.05 0.28 0.00 0.00 0.00 179.25 179.75 1f8h h VAL 72 N 0.05 0.25 -0.01 0.00 2.07 -1.34 -1.01 116.25 116.26 1f8h h VAL 72 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1f8h h VAL 72 Cb 0.93 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1f8h h VAL 72 CO 0.07 0.05 -0.28 0.00 0.02 0.00 0.00 177.57 177.43 1f8h n ALA 73 N -2.17 3.11 -0.02 1.67 0.00 -1.08 -3.10 120.51 118.92 1f8h n ALA 73 Ca -0.02 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 1f8h n ALA 73 Cb 0.19 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1f8h n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1f8h h MET 74 N 1.00 0.18 0.00 0.00 2.86 -0.89 -3.12 114.93 114.96 1f8h h MET 74 Ca 0.00 -0.32 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 1f8h h MET 74 Cb 0.50 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1f8h h MET 74 CO 0.00 1.15 -0.52 0.27 1.06 0.00 0.00 176.91 178.87 1f8h h PHE 75 N -0.39 0.00 0.00 -0.22 -5.15 -1.69 0.18 116.94 109.66 1f8h h PHE 75 Ca -0.34 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.37 1f8h h PHE 75 Cb 1.70 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.86 1f8h h PHE 75 CO 0.11 0.52 -0.30 -0.07 -2.00 0.00 0.00 178.31 176.56 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.67 -2.31 115.31 116.81 1f8h h LEU 76 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1f8h h LEU 76 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1f8h h LEU 76 CO 0.07 0.30 -0.56 0.52 0.09 0.00 0.00 178.44 178.86 1f8h n VAL 77 N -3.90 1.31 -0.20 1.22 0.31 -1.00 -4.02 118.33 112.05 1f8h n VAL 77 Ca -0.02 0.23 0.30 0.00 -0.01 0.00 0.00 64.34 64.85 1f8h n VAL 77 Cb 0.38 -2.31 0.67 0.00 -0.91 0.00 0.00 33.84 31.67 1f8h n VAL 77 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1f8h h TYR 78 N -0.92 0.00 0.00 3.52 0.05 -0.73 1.59 116.97 120.48 1f8h h TYR 78 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1f8h h TYR 78 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1f8h h TYR 78 CO -0.24 0.00 -0.10 0.00 -1.05 0.00 0.00 178.16 176.77 1f8h n ALA 80 N -1.63 3.31 -0.03 0.00 0.00 0.54 0.59 120.51 123.30 1f8h n ALA 80 Ca 0.06 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1f8h n ALA 80 Cb 0.38 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 1f8h n ALA 80 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1f8h h LEU 81 N 0.00 0.28 0.27 0.00 4.07 -1.44 -3.41 115.31 115.09 1f8h h LEU 81 Ca 0.00 -0.80 -0.01 0.00 0.08 0.00 0.00 57.88 57.15 1f8h h LEU 81 Cb 0.63 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1f8h h LEU 81 CO 0.00 1.73 -0.13 -0.33 -1.08 0.00 0.00 178.44 178.63 1f8h h GLU 82 N -0.30 -0.35 0.00 1.13 5.08 -1.69 -3.47 114.58 114.98 1f8h h GLU 82 Ca -0.40 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1f8h h GLU 82 Cb 1.79 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1f8h h GLU 82 CO -0.01 -0.11 0.00 1.17 -1.00 0.00 0.00 179.01 179.06 1f8h n LYS 83 N -5.02 0.00 0.00 2.33 4.81 -1.14 -5.13 118.16 114.02 1f8h n LYS 83 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1f8h n LYS 83 Cb 0.20 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.25 1f8h n LYS 83 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1f8h n GLU 84 N 0.00 0.00 -1.11 1.64 2.13 0.20 -4.89 120.64 118.61 1f8h n GLU 84 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1f8h n GLU 84 Cb 0.00 0.00 0.14 0.00 0.27 0.00 0.00 31.44 31.85 1f8h n GLU 84 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1f8h s PRO 85 N 0.00 1.31 -0.22 5.31 0.04 -1.26 -2.60 135.00 137.58 1f8h s PRO 85 Ca 0.00 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.01 1f8h s PRO 85 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1f8h s PRO 85 CO 0.00 -2.25 -0.06 0.08 0.04 0.00 0.00 177.00 174.80 1f8h s VAL 86 N -2.86 3.15 0.00 -0.36 1.01 -1.26 -4.90 120.40 115.18 1f8h s VAL 86 Ca 0.64 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1f8h s VAL 86 Cb -0.19 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1f8h s VAL 86 CO 0.57 0.40 0.00 -0.81 0.00 0.00 0.00 175.10 175.26 1f8h n PRO 87 N 4.76 0.39 -0.36 2.72 -0.04 -1.26 -4.94 135.00 136.27 1f8h n PRO 87 Ca -0.18 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1f8h n PRO 87 Cb 0.50 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.19 1f8h n PRO 87 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1f8h n MET 88 N -0.90 2.80 -3.29 0.54 2.81 -1.26 -4.82 117.12 113.00 1f8h n MET 88 Ca 0.00 -2.67 -0.40 0.00 -1.81 0.00 0.00 57.70 52.83 1f8h n MET 88 Cb 0.00 -1.71 -0.08 0.00 -0.71 0.00 0.00 33.22 30.72 1f8h n MET 88 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1f8h s SER 89 N -1.83 6.36 -1.08 7.83 0.01 -1.26 -4.92 113.70 118.81 1f8h s SER 89 Ca 0.37 0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.95 1f8h s SER 89 Cb 0.29 -2.26 0.29 0.00 0.21 0.00 0.00 66.02 64.56 1f8h s SER 89 CO 0.09 -0.28 1.26 0.18 0.41 0.00 0.00 173.24 174.90 1f8h n LEU 90 N 5.50 5.82 -4.65 2.44 4.77 -1.26 -5.02 117.00 124.60 1f8h n LEU 90 Ca -0.06 -5.13 -0.30 0.00 -0.03 0.00 0.00 56.01 50.49 1f8h n LEU 90 Cb 0.50 -1.35 0.17 0.00 -2.33 0.00 0.00 43.42 40.41 1f8h n LEU 90 CO 0.40 1.53 0.63 -2.16 -1.33 0.00 0.00 177.39 176.46 1f8h s PRO 91 N -2.00 0.65 0.00 3.23 0.04 -1.26 -4.87 135.00 130.79 1f8h s PRO 91 Ca 0.31 1.04 0.17 0.00 0.04 0.00 0.00 61.00 62.56 1f8h s PRO 91 Cb -0.03 -1.72 0.86 0.00 0.04 0.00 0.00 34.50 33.65 1f8h s PRO 91 CO 0.00 -2.72 1.49 -0.35 0.04 0.00 0.00 177.00 175.46 1f8h n PRO 92 N -4.24 0.26 -0.05 0.56 -0.04 -1.26 -2.30 135.00 127.93 1f8h n PRO 92 Ca 0.07 0.12 0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1f8h n PRO 92 Cb 0.54 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1f8h n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f8h n ALA 93 N -1.27 2.49 0.00 0.55 0.00 -1.26 -3.42 120.51 117.60 1f8h n ALA 93 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1f8h n ALA 93 Cb 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1f8h n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f8h n LEU 94 N -0.25 0.00 -4.77 0.00 4.77 -0.97 0.32 117.00 116.09 1f8h n LEU 94 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1f8h n LEU 94 Cb 0.08 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1f8h n LEU 94 CO 0.03 0.00 1.02 0.68 -1.33 0.00 0.00 177.39 177.79 1f8h s VAL 95 N -1.90 2.53 1.15 4.08 -7.23 -1.22 -4.84 120.40 112.97 1f8h s VAL 95 Ca 0.00 0.53 -0.17 0.00 -1.81 0.00 0.00 61.98 60.52 1f8h s VAL 95 Cb 0.00 -3.33 0.26 0.00 0.56 0.00 0.00 36.38 33.87 1f8h s VAL 95 CO 0.00 0.12 1.10 -2.16 -0.31 0.00 0.00 175.10 173.85 1f8h s PRO 96 N -1.91 -0.82 0.55 4.82 0.04 -1.26 -4.88 135.00 131.54 1f8h s PRO 96 Ca 0.50 0.10 0.34 0.00 0.04 0.00 0.00 61.00 61.98 1f8h s PRO 96 Cb -0.41 -1.63 1.49 0.00 0.04 0.00 0.00 34.50 33.99 1f8h s PRO 96 CO 0.55 -3.48 2.04 -1.00 0.04 0.00 0.00 177.00 175.15 1f8h h PRO 97 N -2.42 0.00 0.00 0.56 0.13 -2.00 -2.65 132.00 125.63 1f8h h PRO 97 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1f8h h PRO 97 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1f8h h PRO 97 CO 0.41 0.04 -0.37 1.03 -0.23 0.00 0.00 178.00 178.88 1f8h h SER 98 N 0.00 0.00 -0.38 1.44 0.87 -2.03 -1.82 113.55 111.63 1f8h h SER 98 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1f8h h SER 98 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1f8h h SER 98 CO 0.01 0.37 0.00 0.29 -0.53 0.00 0.00 176.83 176.97 1f8h n LYS 99 N -4.01 2.17 0.00 2.24 4.76 -1.00 -5.25 118.16 117.07 1f8h n LYS 99 Ca -0.02 -1.50 0.09 0.00 -2.87 0.00 0.00 58.31 54.01 1f8h n LYS 99 Cb 0.42 -1.44 0.07 0.00 -1.84 0.00 0.00 35.03 32.24 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57