#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 1.67 0.60 0.54 -0.00 -1.23 -4.59 118.94 115.92 1f8h s TRP 7 Ca 0.00 -0.14 0.31 0.00 -0.00 0.00 0.00 56.10 56.27 1f8h s TRP 7 Cb 0.00 -4.10 1.17 0.00 -0.00 0.00 0.00 33.47 30.54 1f8h s TRP 7 CO 0.00 -4.77 1.48 0.00 -0.00 0.00 0.00 176.95 173.66 1f8h h ALA 8 N 9.93 2.95 -2.89 5.86 0.00 0.39 -3.38 119.26 132.12 1f8h h ALA 8 Ca -0.45 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 1f8h h ALA 8 Cb 1.21 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1f8h h ALA 8 CO 0.95 -1.64 -0.51 0.08 0.00 0.00 0.00 179.25 178.13 1f8h s VAL 9 N -4.55 5.19 0.40 0.00 1.01 -1.26 -5.00 120.40 116.19 1f8h s VAL 9 Ca -0.03 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1f8h s VAL 9 Cb 0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1f8h s VAL 9 CO 0.56 0.09 0.23 -0.54 0.00 0.00 0.00 175.10 175.44 1f8h s LYS 10 N -2.63 2.33 0.32 2.72 1.02 -1.26 -4.95 119.74 117.28 1f8h s LYS 10 Ca 0.34 -1.72 0.03 0.00 0.02 0.00 0.00 55.97 54.63 1f8h s LYS 10 Cb -0.12 -2.11 0.54 0.00 -0.52 0.00 0.00 37.83 35.61 1f8h s LYS 10 CO 0.27 -0.11 1.86 -1.00 -0.92 0.00 0.00 175.35 175.45 1f8h h PRO 11 N 1.33 0.62 -0.00 -1.68 0.13 -1.96 0.38 132.00 130.82 1f8h h PRO 11 Ca -0.43 -0.13 -0.10 0.00 -0.87 0.00 0.00 66.00 64.48 1f8h h PRO 11 Cb 1.26 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1f8h h PRO 11 CO 0.66 0.61 -0.47 1.05 -0.23 0.00 0.00 178.00 179.62 1f8h h GLU 12 N 0.60 0.00 0.21 0.86 4.11 -1.98 0.14 114.58 118.52 1f8h h GLU 12 Ca 0.13 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.22 1f8h h GLU 12 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.59 1f8h h GLU 12 CO 0.01 0.47 -1.57 -0.44 0.07 0.00 0.00 179.01 177.55 1f8h h ASP 13 N 0.00 0.70 0.97 3.06 3.32 -1.73 -3.15 116.42 119.59 1f8h h ASP 13 Ca -0.00 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1f8h h ASP 13 Cb 0.84 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1f8h h ASP 13 CO 0.06 1.70 0.00 0.50 -1.72 0.00 0.00 179.24 179.78 1f8h h LYS 14 N 0.12 0.00 0.01 3.56 1.63 -0.14 -0.74 116.57 121.02 1f8h h LYS 14 Ca -0.28 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.25 1f8h h LYS 14 Cb 2.12 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.77 1f8h h LYS 14 CO 0.23 0.00 -1.06 0.00 -3.45 0.00 0.00 179.45 175.16 1f8h h ALA 15 N 2.26 0.13 0.00 5.00 0.00 -0.69 -0.61 119.26 125.35 1f8h h ALA 15 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 54.08 1f8h h ALA 15 Cb 0.48 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1f8h h ALA 15 CO 0.00 0.70 -0.57 1.57 0.00 0.00 0.00 179.25 180.95 1f8h h LYS 16 N 0.37 0.00 -0.12 0.00 2.10 -1.45 -3.12 116.57 114.36 1f8h h LYS 16 Ca -0.13 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.35 1f8h h LYS 16 Cb 1.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.04 1f8h h LYS 16 CO 0.21 0.56 -0.63 1.88 -2.00 0.00 0.00 179.45 179.47 1f8h h TYR 17 N 0.00 0.57 0.00 0.07 -1.99 -1.08 -2.53 116.97 112.01 1f8h h TYR 17 Ca -0.01 -0.23 -0.00 0.00 2.00 0.00 0.00 58.73 60.50 1f8h h TYR 17 Cb 1.43 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 40.07 1f8h h TYR 17 CO 0.00 0.96 -0.01 -0.44 -0.00 0.00 0.00 178.16 178.66 1f8h h ASP 18 N 0.32 0.00 0.35 3.88 3.32 -1.06 0.24 116.42 123.47 1f8h h ASP 18 Ca -0.01 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.71 1f8h h ASP 18 Cb 1.18 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.75 1f8h h ASP 18 CO 0.11 0.01 -1.51 0.00 -1.72 0.00 0.00 179.24 176.14 1f8h h ALA 19 N 1.99 0.02 0.00 3.45 0.00 -1.42 -1.33 119.26 121.97 1f8h h ALA 19 Ca -0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 54.91 53.78 1f8h h ALA 19 Cb 0.53 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1f8h h ALA 19 CO 0.00 0.89 -0.76 0.82 0.00 0.00 0.00 179.25 180.21 1f8h h ILE 20 N 0.11 1.48 -0.13 0.00 2.04 -1.18 -0.19 117.51 119.64 1f8h h ILE 20 Ca -0.25 -2.65 -0.19 0.00 1.00 0.00 0.00 64.86 62.77 1f8h h ILE 20 Cb 2.10 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 40.63 1f8h h ILE 20 CO 0.22 0.74 -0.70 0.15 0.00 0.00 0.00 178.15 178.57 1f8h h PHE 21 N 0.00 0.73 -0.05 1.37 3.04 -0.57 -2.95 116.94 118.52 1f8h h PHE 21 Ca -0.01 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1f8h h PHE 21 Cb 1.39 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1f8h h PHE 21 CO 0.00 1.08 0.00 -3.47 -2.02 0.00 0.00 178.31 173.90 1f8h n ASP 22 N -3.89 1.61 -0.08 0.41 2.03 -0.50 -3.63 116.55 112.49 1f8h n ASP 22 Ca -0.05 -1.56 0.13 0.00 0.52 0.00 0.00 54.79 53.82 1f8h n ASP 22 Cb 0.69 -0.02 0.35 0.00 -0.72 0.00 0.00 41.12 41.42 1f8h n ASP 22 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1f8h n SER 23 N 0.26 0.61 -0.00 1.67 2.88 -0.09 -3.52 113.62 115.43 1f8h n SER 23 Ca 0.18 -0.41 0.07 0.00 -1.33 0.00 0.00 58.87 57.38 1f8h n SER 23 Cb 0.36 0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 1f8h n SER 23 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1f8h n LEU 24 N -1.19 0.60 -1.01 2.46 4.77 -1.24 -5.05 117.00 116.34 1f8h n LEU 24 Ca 0.08 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1f8h n LEU 24 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1f8h n LEU 24 CO 0.31 0.15 0.00 -1.54 -1.33 0.00 0.00 177.39 174.98 1f8h n SER 25 N -1.39 -1.34 -4.79 -1.43 3.41 -1.23 -4.98 113.62 101.86 1f8h n SER 25 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 1f8h n SER 25 Cb 0.23 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1f8h s PRO 26 N -0.49 3.75 -0.25 4.33 0.04 -1.26 -4.88 135.00 136.24 1f8h s PRO 26 Ca 0.00 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1f8h s PRO 26 Cb 0.00 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.49 1f8h s PRO 26 CO 0.00 -0.48 -0.04 0.08 0.04 0.00 0.00 177.00 176.60 1f8h s VAL 27 N -1.92 1.65 -1.11 -0.36 1.01 -0.21 -4.67 120.40 114.80 1f8h s VAL 27 Ca 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1f8h s VAL 27 Cb -0.18 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1f8h s VAL 27 CO 0.22 -0.18 0.00 -3.20 0.00 0.00 0.00 175.10 171.94 1f8h n ASN 28 N 4.61 -5.40 -0.15 3.32 5.15 -1.26 -1.79 115.26 119.73 1f8h n ASN 28 Ca -0.10 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1f8h n ASN 28 Cb 0.43 -3.82 0.00 0.00 -0.53 0.00 0.00 39.78 35.86 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 -0.18 1.06 3.20 8.20 0.00 -1.26 -5.07 105.19 111.14 1f8h n GLY 29 Ca -0.10 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.30 -0.24 -0.13 1.61 0.08 -0.74 -3.78 117.98 112.48 1f8h s PHE 30 Ca 0.00 0.53 -0.01 0.00 0.12 0.00 0.00 56.93 57.56 1f8h s PHE 30 Cb 0.00 0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.52 1f8h s PHE 30 CO 0.00 -0.26 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.26 1f8h s LEU 31 N -0.53 2.93 0.37 -0.37 1.43 0.47 -1.04 118.68 121.94 1f8h s LEU 31 Ca -0.06 -0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 1f8h s LEU 31 Cb -0.04 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 1f8h s LEU 31 CO 0.02 0.19 0.94 -0.44 0.23 0.00 0.00 176.35 177.29 1f8h s SER 32 N 0.22 7.14 0.57 2.29 0.01 -1.26 0.24 113.70 122.91 1f8h s SER 32 Ca -0.06 1.75 0.36 0.00 1.31 0.00 0.00 55.95 59.31 1f8h s SER 32 Cb -0.15 -2.55 1.42 0.00 0.21 0.00 0.00 66.02 64.95 1f8h s SER 32 CO 0.04 -0.20 1.64 1.23 0.41 0.00 0.00 173.24 176.36 1f8h h GLY 33 N 2.59 0.00 1.93 3.44 0.00 -1.91 2.29 103.07 111.41 1f8h h GLY 33 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1f8h h GLY 33 CO 0.63 0.00 0.03 -1.80 0.00 0.00 0.00 176.54 175.40 1f8h h ASP 34 N 0.00 0.00 0.05 0.19 1.82 -1.89 2.16 116.42 118.75 1f8h h ASP 34 Ca 0.57 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.83 1f8h h ASP 34 Cb 2.60 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 42.54 1f8h h ASP 34 CO -0.01 0.00 -2.35 0.29 -1.61 0.00 0.00 179.24 175.56 1f8h n LYS 35 N -3.85 0.67 0.07 0.28 5.02 0.77 -4.42 118.16 116.70 1f8h n LYS 35 Ca -0.02 0.13 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 1f8h n LYS 35 Cb 0.11 -1.56 -0.12 0.00 -0.02 0.00 0.00 35.03 33.44 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 0.01 1.29 -0.75 -0.18 2.07 -0.72 -3.16 116.25 114.80 1f8h h VAL 36 Ca -0.53 -2.37 0.15 0.00 0.82 0.00 0.00 66.70 64.76 1f8h h VAL 36 Cb 2.03 2.60 -0.14 0.00 -1.52 0.00 0.00 31.29 34.26 1f8h h VAL 36 CO -0.02 0.72 -0.21 0.50 0.02 0.00 0.00 177.57 178.58 1f8h h LYS 37 N 0.29 -0.02 -0.16 1.57 3.64 0.33 0.59 116.57 122.82 1f8h h LYS 37 Ca -0.17 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1f8h h LYS 37 Cb 1.82 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 1f8h h LYS 37 CO 0.22 -0.01 -0.35 -1.00 -2.27 0.00 0.00 179.45 176.04 1f8h h PRO 38 N -0.02 0.33 -0.42 1.90 0.13 -1.76 0.39 132.00 132.55 1f8h h PRO 38 Ca 0.35 -0.14 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1f8h h PRO 38 Cb 0.55 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1f8h h PRO 38 CO -0.78 0.64 0.00 0.28 -0.23 0.00 0.00 178.00 177.92 1f8h h VAL 39 N 0.28 1.23 0.01 1.56 2.07 0.04 -2.15 116.25 119.28 1f8h h VAL 39 Ca 0.03 -0.92 -0.30 0.00 0.82 0.00 0.00 66.70 66.34 1f8h h VAL 39 Cb 0.75 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1f8h h VAL 39 CO 0.06 0.32 -1.72 0.18 0.02 0.00 0.00 177.57 176.43 1f8h n LEU 40 N -4.24 1.00 0.02 2.57 4.77 0.71 -3.65 117.00 118.18 1f8h n LEU 40 Ca 0.02 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.49 1f8h n LEU 40 Cb 0.28 0.08 0.36 0.00 -2.33 0.00 0.00 43.42 41.80 1f8h n LEU 40 CO 0.40 0.42 0.76 0.18 -1.33 0.00 0.00 177.39 177.82 1f8h n LEU 41 N -3.08 0.10 -0.00 2.23 4.77 0.14 -1.93 117.00 119.23 1f8h n LEU 41 Ca -0.18 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1f8h n LEU 41 Cb 1.05 -0.51 0.23 0.00 -2.33 0.00 0.00 43.42 41.86 1f8h n LEU 41 CO 0.45 -0.27 0.43 -3.20 -1.33 0.00 0.00 177.39 173.46 1f8h n ASN 42 N -1.61 0.54 -0.10 -1.43 2.85 -0.82 -3.86 115.26 110.82 1f8h n ASN 42 Ca 0.04 -0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 1f8h n ASN 42 Cb 0.19 0.29 0.01 0.00 1.24 0.00 0.00 39.78 41.51 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1f8h n SER 43 N -1.49 0.24 -0.17 1.20 3.41 -0.81 -4.82 113.62 111.19 1f8h n SER 43 Ca 0.05 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.64 1f8h n SER 43 Cb 0.33 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.38 -1.64 -3.18 4.33 4.81 -1.25 -4.80 118.16 116.05 1f8h n LYS 44 Ca 0.01 0.51 -0.28 0.00 -0.87 0.00 0.00 58.31 57.68 1f8h n LYS 44 Cb 0.05 -4.78 -0.03 0.00 0.02 0.00 0.00 35.03 30.30 1f8h n LYS 44 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1f8h s LEU 45 N -0.49 3.96 0.86 3.14 1.43 -1.26 -5.08 118.68 121.25 1f8h s LEU 45 Ca 0.00 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 1f8h s LEU 45 Cb 0.00 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.70 1f8h s LEU 45 CO 0.00 -0.29 1.14 -2.16 0.23 0.00 0.00 176.35 175.28 1f8h s PRO 46 N -3.84 1.53 0.00 1.29 0.04 -1.26 -4.84 135.00 127.93 1f8h s PRO 46 Ca 0.45 0.28 0.16 0.00 0.04 0.00 0.00 61.00 61.93 1f8h s PRO 46 Cb -0.10 -1.89 0.89 0.00 0.04 0.00 0.00 34.50 33.44 1f8h s PRO 46 CO 0.33 -1.92 1.44 0.28 0.04 0.00 0.00 177.00 177.17 1f8h n VAL 47 N -3.58 0.32 0.08 -0.36 0.31 -1.26 -2.25 118.33 111.60 1f8h n VAL 47 Ca 0.07 0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.36 1f8h n VAL 47 Cb 0.59 -0.82 -0.13 0.00 -0.91 0.00 0.00 33.84 32.58 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 0.25 0.19 4.52 1.82 -1.98 -1.68 116.42 119.53 1f8h h ASP 48 Ca 0.00 -0.27 -0.26 0.00 -0.39 0.00 0.00 57.03 56.10 1f8h h ASP 48 Cb 0.09 -0.08 0.03 0.00 0.68 0.00 0.00 39.33 40.05 1f8h h ASP 48 CO 0.00 1.22 -1.17 0.40 -1.61 0.00 0.00 179.24 178.07 1f8h h ILE 49 N 0.04 1.36 -0.16 2.25 1.08 -1.81 -3.02 117.51 117.25 1f8h h ILE 49 Ca -0.10 -2.60 -0.04 0.00 -0.39 0.00 0.00 64.86 61.73 1f8h h ILE 49 Cb 1.90 3.09 -0.01 0.00 -3.07 0.00 0.00 36.82 38.73 1f8h h ILE 49 CO 0.17 0.76 -0.09 -0.07 -0.69 0.00 0.00 178.15 178.23 1f8h h LEU 50 N -0.13 0.22 -0.91 1.44 3.38 -1.61 1.57 115.31 119.27 1f8h h LEU 50 Ca -0.21 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1f8h h LEU 50 Cb 1.89 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1f8h h LEU 50 CO 0.20 0.35 0.00 1.23 0.09 0.00 0.00 178.44 180.31 1f8h h GLY 51 N 0.67 0.00 0.00 0.83 0.00 -1.33 -1.05 103.07 102.19 1f8h h GLY 51 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.01 1f8h h GLY 51 CO 0.02 0.00 -2.38 -2.13 0.00 0.00 0.00 176.54 172.05 1f8h n ARG 52 N -2.75 0.73 0.07 4.80 3.00 0.54 -3.53 116.66 119.53 1f8h n ARG 52 Ca 0.02 0.01 -0.12 0.00 -0.00 0.00 0.00 57.85 57.76 1f8h n ARG 52 Cb 0.32 -1.51 -0.03 0.00 0.00 0.00 0.00 32.46 31.24 1f8h n ARG 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1f8h h VAL 53 N 0.00 1.43 -0.08 5.15 2.07 0.22 -2.70 116.25 122.35 1f8h h VAL 53 Ca -0.54 -2.50 -0.04 0.00 0.82 0.00 0.00 66.70 64.44 1f8h h VAL 53 Cb 2.18 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 34.38 1f8h h VAL 53 CO 0.01 0.74 -0.12 -0.25 0.02 0.00 0.00 177.57 177.98 1f8h h TRP 54 N 0.19 0.26 0.58 1.57 2.91 -1.39 -1.48 115.95 118.59 1f8h h TRP 54 Ca -0.06 -0.09 -0.02 0.00 1.13 0.00 0.00 58.89 59.84 1f8h h TRP 54 Cb 1.54 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 30.13 1f8h h TRP 54 CO 0.05 0.70 -0.37 0.93 -1.03 0.00 0.00 178.44 178.72 1f8h h GLU 55 N -0.25 -0.87 0.00 2.65 4.39 -1.60 2.78 114.58 121.68 1f8h h GLU 55 Ca 0.01 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1f8h h GLU 55 Cb 0.67 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1f8h h GLU 55 CO 0.03 -0.58 0.00 -0.07 -1.16 0.00 0.00 179.01 177.23 1f8h h LEU 56 N -0.90 0.00 0.06 1.33 3.38 -1.57 -0.04 115.31 117.57 1f8h h LEU 56 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.58 1f8h h LEU 56 Cb 0.74 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1f8h h LEU 56 CO 0.06 0.00 -1.82 -1.28 0.09 0.00 0.00 178.44 175.49 1f8h h SER 57 N 0.00 0.20 0.00 -0.43 0.87 0.40 -3.40 113.55 111.19 1f8h h SER 57 Ca 0.00 -0.43 -0.68 0.00 -1.23 0.00 0.00 61.79 59.45 1f8h h SER 57 Cb 0.02 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1f8h h SER 57 CO 0.00 1.39 2.69 -0.67 -0.53 0.00 0.00 176.83 179.71 1f8h n ASP 58 N -3.25 3.19 -0.57 6.23 2.03 0.90 -4.58 116.55 120.50 1f8h n ASP 58 Ca -0.23 -2.75 0.45 0.00 0.52 0.00 0.00 54.79 52.79 1f8h n ASP 58 Cb 1.05 -1.36 0.75 0.00 -0.72 0.00 0.00 41.12 40.84 1f8h n ASP 58 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1f8h h ILE 59 N 4.24 0.07 0.00 5.18 1.08 -1.78 0.14 117.51 126.44 1f8h h ILE 59 Ca 0.49 -0.01 -0.13 0.00 -0.39 0.00 0.00 64.86 64.83 1f8h h ILE 59 Cb 0.65 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1f8h h ILE 59 CO 1.93 0.00 -1.72 -0.90 -0.69 0.00 0.00 178.15 176.77 1f8h n ASP 60 N -4.30 2.09 -1.91 1.72 5.68 -1.26 -5.02 116.55 113.56 1f8h n ASP 60 Ca 0.40 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.59 1f8h n ASP 60 Cb 1.72 1.11 0.04 0.00 -1.14 0.00 0.00 41.12 42.85 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 -2.23 -1.25 1.39 2.11 8.25 0.48 -4.92 115.22 119.04 1f8h n HIS 61 Ca -0.12 0.45 0.14 0.00 -0.26 0.00 0.00 57.72 57.92 1f8h n HIS 61 Cb 0.66 -2.87 0.45 0.00 1.12 0.00 0.00 29.99 29.34 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 -0.68 1.42 0.00 0.41 5.75 -1.26 -4.89 116.55 117.30 1f8h n ASP 62 Ca -0.01 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 1f8h n ASP 62 Cb 0.53 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1f8h n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f8h n GLY 63 N 1.24 0.94 3.37 6.12 0.00 -1.26 -5.08 105.19 110.52 1f8h n GLY 63 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.19 1.15 -0.29 1.61 -1.94 -1.25 -3.00 119.30 115.39 1f8h s MET 64 Ca 0.00 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 1f8h s MET 64 Cb 0.00 0.47 0.07 0.00 2.01 0.00 0.00 34.83 37.37 1f8h s MET 64 CO 0.00 -0.45 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.00 1f8h s LEU 65 N -2.84 3.84 0.86 -0.03 1.43 0.65 -4.71 118.68 117.88 1f8h s LEU 65 Ca 0.06 -1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 51.51 1f8h s LEU 65 Cb 0.01 -1.61 0.11 0.00 0.03 0.00 0.00 46.19 44.74 1f8h s LEU 65 CO -0.08 -0.25 1.09 1.51 0.23 0.00 0.00 176.35 178.85 1f8h s ASP 66 N 1.12 3.84 0.34 2.29 1.47 -1.25 -0.39 116.67 124.09 1f8h s ASP 66 Ca -0.04 1.41 0.11 0.00 1.18 0.00 0.00 52.55 55.20 1f8h s ASP 66 Cb -0.20 -2.11 1.03 0.00 -0.34 0.00 0.00 42.92 41.30 1f8h s ASP 66 CO -0.05 -2.40 1.58 0.08 0.68 0.00 0.00 175.17 175.06 1f8h h ARG 67 N -1.38 0.01 0.05 2.11 0.11 -1.95 0.86 114.38 114.19 1f8h h ARG 67 Ca -0.49 -0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.36 1f8h h ARG 67 Cb 1.28 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 1f8h h ARG 67 CO 0.56 0.01 -1.05 -0.44 0.10 0.00 0.00 179.97 179.15 1f8h h ASP 68 N 0.01 0.29 -0.05 0.08 5.19 -1.91 -3.00 116.42 117.04 1f8h h ASP 68 Ca 0.72 -0.28 -0.18 0.00 -0.62 0.00 0.00 57.03 56.67 1f8h h ASP 68 Cb 1.70 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 41.13 1f8h h ASP 68 CO -0.85 1.16 -0.66 -0.33 -3.12 0.00 0.00 179.24 175.44 1f8h h GLU 69 N 0.08 0.53 0.00 3.56 5.08 -0.16 -2.80 114.58 120.87 1f8h h GLU 69 Ca -0.08 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1f8h h GLU 69 Cb 1.75 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1f8h h GLU 69 CO 0.16 1.14 0.00 0.35 -1.00 0.00 0.00 179.01 179.66 1f8h h PHE 70 N 0.11 0.00 0.11 4.33 3.04 0.33 -1.94 116.94 122.91 1f8h h PHE 70 Ca -0.07 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.70 1f8h h PHE 70 Cb 1.34 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.87 1f8h h PHE 70 CO 0.12 0.00 -0.78 0.00 -2.02 0.00 0.00 178.31 175.64 1f8h h ALA 71 N 2.05 -0.05 0.00 2.41 0.00 -1.34 -2.86 119.26 119.46 1f8h h ALA 71 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1f8h h ALA 71 Cb 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1f8h h ALA 71 CO 0.00 0.38 -0.06 0.28 0.00 0.00 0.00 179.25 179.85 1f8h h VAL 72 N -0.29 0.68 -0.00 0.00 2.07 -1.20 -1.01 116.25 116.49 1f8h h VAL 72 Ca -0.13 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1f8h h VAL 72 Cb 1.57 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1f8h h VAL 72 CO 0.15 0.05 -0.37 0.00 0.02 0.00 0.00 177.57 177.42 1f8h n ALA 73 N -2.37 3.30 -0.06 1.67 0.00 -1.05 -3.20 120.51 118.80 1f8h n ALA 73 Ca -0.03 -0.36 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 1f8h n ALA 73 Cb 0.14 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 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 0.49 0.08 0.00 0.00 2.86 -0.94 -2.96 114.93 114.45 1f8h h MET 74 Ca 0.00 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1f8h h MET 74 Cb 0.50 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1f8h h MET 74 CO 0.00 1.06 -0.10 0.27 1.06 0.00 0.00 176.91 179.21 1f8h h PHE 75 N -0.79 0.00 0.00 -0.22 -0.00 -1.71 -2.13 116.94 112.09 1f8h h PHE 75 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.76 1f8h h PHE 75 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.28 1f8h h PHE 75 CO 0.17 0.10 0.00 -0.07 -0.00 0.00 0.00 178.31 178.51 1f8h h LEU 76 N 0.00 0.00 0.09 2.10 3.38 -1.65 -2.59 115.31 116.63 1f8h h LEU 76 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1f8h h LEU 76 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1f8h h LEU 76 CO 0.01 0.00 -1.98 0.52 0.09 0.00 0.00 178.44 177.08 1f8h n VAL 77 N -3.00 1.70 0.24 1.22 0.31 -0.93 -3.83 118.33 114.04 1f8h n VAL 77 Ca 0.03 -0.54 0.12 0.00 -0.01 0.00 0.00 64.34 63.94 1f8h n VAL 77 Cb 0.44 -1.74 0.49 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.14 0.00 0.00 3.52 0.05 -1.45 -2.51 116.97 116.44 1f8h h TYR 78 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1f8h h TYR 78 Cb 1.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.63 1f8h h TYR 78 CO 0.07 0.15 -0.12 0.00 -1.05 0.00 0.00 178.16 177.21 1f8h n ALA 80 N -1.82 3.34 -0.03 0.00 0.00 -0.95 0.96 120.51 122.00 1f8h n ALA 80 Ca 0.05 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1f8h n ALA 80 Cb 0.44 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 1f8h n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f8h n LEU 81 N -1.61 2.41 0.07 0.00 4.77 -1.14 -4.43 117.00 117.07 1f8h n LEU 81 Ca 0.05 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1f8h n LEU 81 Cb 0.35 -1.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.30 1f8h n LEU 81 CO 0.35 0.68 0.51 -0.33 -1.33 0.00 0.00 177.39 177.27 1f8h h GLU 82 N -0.26 -0.22 0.00 3.23 4.39 -1.68 -3.47 114.58 116.57 1f8h h GLU 82 Ca -0.41 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1f8h h GLU 82 Cb 1.81 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1f8h h GLU 82 CO -0.01 0.19 0.00 1.17 -1.16 0.00 0.00 179.01 179.19 1f8h n LYS 83 N -4.98 0.00 -1.69 2.33 4.81 -1.19 -5.12 118.16 112.33 1f8h n LYS 83 Ca -0.08 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.93 1f8h n LYS 83 Cb 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.28 1f8h n LYS 83 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1f8h s GLU 84 N 0.00 4.14 0.64 1.64 -6.30 0.27 -4.91 118.70 114.18 1f8h s GLU 84 Ca 0.00 2.61 -0.13 0.00 -2.50 0.00 0.00 54.97 54.94 1f8h s GLU 84 Cb 0.00 -3.94 -0.02 0.00 0.00 0.00 0.00 34.13 30.18 1f8h s GLU 84 CO 0.00 -0.91 1.06 -1.25 0.02 0.00 0.00 175.26 174.17 1f8h s PRO 85 N 3.78 3.16 -0.20 4.30 0.04 -1.26 -2.96 135.00 141.86 1f8h s PRO 85 Ca 0.85 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 1f8h s PRO 85 Cb -0.44 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1f8h s PRO 85 CO 0.39 -0.93 -0.06 0.08 0.04 0.00 0.00 177.00 176.52 1f8h s VAL 86 N -2.74 3.26 0.35 -0.36 1.01 -1.26 -4.91 120.40 115.76 1f8h s VAL 86 Ca 0.61 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1f8h s VAL 86 Cb -0.15 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.84 1f8h s VAL 86 CO 0.45 0.45 0.48 -0.81 0.00 0.00 0.00 175.10 175.67 1f8h n PRO 87 N 4.58 0.13 -0.05 2.72 -0.04 -1.26 -5.02 135.00 136.06 1f8h n PRO 87 Ca -0.18 -1.18 0.02 0.00 -0.04 0.00 0.00 63.50 62.12 1f8h n PRO 87 Cb 0.51 -0.36 0.04 0.00 -0.04 0.00 0.00 33.50 33.65 1f8h n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f8h n MET 88 N -1.92 2.93 -3.51 0.54 0.00 -1.26 -4.81 117.12 109.09 1f8h n MET 88 Ca 0.07 -1.66 -0.42 0.00 0.00 0.00 0.00 57.70 55.69 1f8h n MET 88 Cb 0.27 -1.08 -0.09 0.00 0.00 0.00 0.00 33.22 32.32 1f8h n MET 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1f8h s SER 89 N -1.05 5.84 -0.43 3.17 0.01 -1.26 -4.83 113.70 115.15 1f8h s SER 89 Ca 0.06 -1.51 -0.32 0.00 1.31 0.00 0.00 55.95 55.50 1f8h s SER 89 Cb 0.04 -2.07 -0.11 0.00 0.21 0.00 0.00 66.02 64.09 1f8h s SER 89 CO 0.04 -0.61 2.31 0.18 0.41 0.00 0.00 173.24 175.56 1f8h n LEU 90 N 5.03 2.13 -4.78 2.44 4.77 -1.26 -4.88 117.00 120.45 1f8h n LEU 90 Ca -0.11 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.66 1f8h n LEU 90 Cb 0.43 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1f8h n LEU 90 CO 0.43 -0.91 0.79 -2.16 -1.33 0.00 0.00 177.39 174.21 1f8h s PRO 91 N 7.03 3.63 0.00 3.23 0.04 -1.26 -4.90 135.00 142.77 1f8h s PRO 91 Ca 1.09 1.64 0.17 0.00 0.04 0.00 0.00 61.00 63.94 1f8h s PRO 91 Cb -0.67 -2.22 0.93 0.00 0.04 0.00 0.00 34.50 32.58 1f8h s PRO 91 CO 0.42 -0.62 1.49 -0.35 0.04 0.00 0.00 177.00 177.97 1f8h n PRO 92 N -0.84 0.35 0.01 0.56 -0.04 -1.26 -1.79 135.00 131.99 1f8h n PRO 92 Ca 0.09 0.08 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1f8h n PRO 92 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.19 1.89 0.18 0.55 0.00 -1.26 -4.12 120.51 116.56 1f8h n ALA 93 Ca 0.10 -0.67 0.11 0.00 0.00 0.00 0.00 53.44 52.98 1f8h n ALA 93 Cb 0.11 -0.83 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 1f8h n ALA 93 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1f8h n LEU 94 N -2.84 0.19 -4.76 0.00 -0.00 -1.02 0.28 117.00 108.85 1f8h n LEU 94 Ca -0.13 -0.10 -0.41 0.00 -0.00 0.00 0.00 56.01 55.38 1f8h n LEU 94 Cb 0.89 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.28 1f8h n LEU 94 CO 0.43 0.05 0.96 -0.69 -0.00 0.00 0.00 177.39 178.14 1f8h s VAL 95 N -3.38 2.94 0.85 1.96 1.01 -0.74 -4.68 120.40 118.36 1f8h s VAL 95 Ca -0.05 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 1f8h s VAL 95 Cb 0.14 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 33.06 1f8h s VAL 95 CO 0.88 0.19 1.10 -2.16 0.00 0.00 0.00 175.10 175.11 1f8h s PRO 96 N -1.21 1.64 0.22 2.72 0.04 -1.26 -4.93 135.00 132.21 1f8h s PRO 96 Ca 0.51 0.59 0.24 0.00 0.04 0.00 0.00 61.00 62.38 1f8h s PRO 96 Cb -0.38 -1.87 0.92 0.00 0.04 0.00 0.00 34.50 33.21 1f8h s PRO 96 CO 0.47 -1.92 1.72 -0.35 0.04 0.00 0.00 177.00 176.96 1f8h n PRO 97 N -3.63 0.20 0.20 0.56 -0.04 -1.26 -2.70 135.00 128.33 1f8h n PRO 97 Ca 0.07 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1f8h n PRO 97 Cb 0.57 -1.82 0.62 0.00 -0.04 0.00 0.00 33.50 32.83 1f8h n PRO 97 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1f8h h SER 98 N 0.00 0.00 -0.17 3.54 0.87 -2.03 -1.37 113.55 114.40 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 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1f8h h SER 98 CO 0.00 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.47 1f8h n LYS 99 N -2.60 1.88 0.00 2.24 4.81 -1.10 -5.21 118.16 118.19 1f8h n LYS 99 Ca 0.01 -1.32 0.05 0.00 -0.87 0.00 0.00 58.31 56.18 1f8h n LYS 99 Cb 0.23 -1.43 0.04 0.00 0.02 0.00 0.00 35.03 33.88 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11