#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 3.32 0.52 0.54 -0.00 -1.26 -4.66 118.94 117.40 1f8h s TRP 7 Ca 0.00 0.50 0.42 0.00 -0.00 0.00 0.00 56.10 57.02 1f8h s TRP 7 Cb 0.00 -2.51 1.62 0.00 -0.00 0.00 0.00 33.47 32.58 1f8h s TRP 7 CO 0.00 -0.08 1.62 0.00 -0.00 0.00 0.00 176.95 178.49 1f8h h ALA 8 N 7.66 3.41 -3.04 5.86 0.00 0.37 -3.36 119.26 130.17 1f8h h ALA 8 Ca -0.35 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 1f8h h ALA 8 Cb 1.16 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 1f8h h ALA 8 CO 0.68 -1.98 -0.54 0.08 0.00 0.00 0.00 179.25 177.49 1f8h s VAL 9 N -5.02 4.97 0.74 0.00 1.01 -1.26 -5.08 120.40 115.76 1f8h s VAL 9 Ca -0.06 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1f8h s VAL 9 Cb 0.27 -3.17 0.11 0.00 0.00 0.00 0.00 36.38 33.60 1f8h s VAL 9 CO 0.86 0.57 1.03 -0.54 0.00 0.00 0.00 175.10 177.02 1f8h s LYS 10 N -0.56 1.71 0.24 2.72 1.02 -1.26 -4.90 119.74 118.71 1f8h s LYS 10 Ca 0.11 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.37 1f8h s LYS 10 Cb -0.12 -2.22 0.26 0.00 -0.52 0.00 0.00 37.83 35.23 1f8h s LYS 10 CO 0.02 -1.49 1.60 -1.00 -0.92 0.00 0.00 175.35 173.56 1f8h h PRO 11 N -0.68 0.41 0.00 -1.68 0.13 -1.98 -1.24 132.00 126.97 1f8h h PRO 11 Ca -0.40 -0.23 -0.04 0.00 -0.87 0.00 0.00 66.00 64.46 1f8h h PRO 11 Cb 1.28 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1f8h h PRO 11 CO 0.46 0.80 -0.21 1.05 -0.23 0.00 0.00 178.00 179.87 1f8h h GLU 12 N 0.33 0.00 0.15 0.86 4.11 -1.98 -0.37 114.58 117.67 1f8h h GLU 12 Ca 0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.14 1f8h h GLU 12 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1f8h h GLU 12 CO 0.08 0.21 -1.50 -0.44 0.07 0.00 0.00 179.01 177.43 1f8h h ASP 13 N 0.00 0.50 1.51 3.06 5.19 -1.86 -3.12 116.42 121.70 1f8h h ASP 13 Ca -0.00 -0.63 -0.10 0.00 -0.62 0.00 0.00 57.03 55.68 1f8h h ASP 13 Cb 1.01 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1f8h h ASP 13 CO 0.03 1.52 -0.49 0.50 -3.12 0.00 0.00 179.24 177.67 1f8h h LYS 14 N 0.09 0.00 -0.62 3.56 3.11 -1.22 -2.81 116.57 118.67 1f8h h LYS 14 Ca -0.24 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.51 1f8h h LYS 14 Cb 2.04 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.25 1f8h h LYS 14 CO 0.19 0.44 0.03 0.00 -2.81 0.00 0.00 179.45 177.30 1f8h h ALA 15 N 1.55 0.87 0.00 5.00 0.00 -1.12 0.24 119.26 125.80 1f8h h ALA 15 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1f8h h ALA 15 Cb 1.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1f8h h ALA 15 CO 0.06 0.67 -0.64 1.57 0.00 0.00 0.00 179.25 180.91 1f8h h LYS 16 N 0.99 0.00 -0.23 0.00 2.10 -1.54 -2.93 116.57 114.96 1f8h h LYS 16 Ca 0.18 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.68 1f8h h LYS 16 Cb 0.52 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 1f8h h LYS 16 CO 0.03 0.64 -0.49 1.88 -2.00 0.00 0.00 179.45 179.50 1f8h h TYR 17 N 0.00 0.76 0.00 0.07 0.05 -1.12 -2.57 116.97 114.16 1f8h h TYR 17 Ca -0.01 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.52 1f8h h TYR 17 Cb 1.23 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1f8h h TYR 17 CO 0.00 0.98 -0.01 0.22 -1.05 0.00 0.00 178.16 178.31 1f8h h ASP 18 N 0.49 0.00 0.53 3.88 1.82 -0.36 0.41 116.42 123.19 1f8h h ASP 18 Ca 0.02 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.37 1f8h h ASP 18 Cb 1.03 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.05 1f8h h ASP 18 CO 0.10 0.01 -1.33 0.00 -1.61 0.00 0.00 179.24 176.40 1f8h h ALA 19 N 1.99 0.07 0.02 -0.78 0.00 -1.41 -1.60 119.26 117.55 1f8h h ALA 19 Ca -0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 54.91 53.79 1f8h h ALA 19 Cb 0.20 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1f8h h ALA 19 CO 0.00 0.94 -0.98 0.82 0.00 0.00 0.00 179.25 180.03 1f8h h ILE 20 N 0.09 1.61 -0.07 0.00 2.04 -1.17 -1.61 117.51 118.40 1f8h h ILE 20 Ca -0.18 -3.07 -0.14 0.00 1.00 0.00 0.00 64.86 62.48 1f8h h ILE 20 Cb 2.02 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 40.81 1f8h h ILE 20 CO 0.21 0.88 -0.57 0.15 0.00 0.00 0.00 178.15 178.82 1f8h h PHE 21 N 0.04 0.28 -0.00 1.37 3.04 -0.26 -2.59 116.94 118.82 1f8h h PHE 21 Ca -0.04 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.81 1f8h h PHE 21 Cb 1.68 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 40.14 1f8h h PHE 21 CO 0.02 0.74 -0.21 -3.47 -2.02 0.00 0.00 178.31 173.37 1f8h n ASP 22 N -3.89 0.70 -0.04 0.41 -0.08 -0.60 -3.39 116.55 109.66 1f8h n ASP 22 Ca -0.02 -0.64 0.13 0.00 -1.51 0.00 0.00 54.79 52.75 1f8h n ASP 22 Cb 0.59 0.03 0.46 0.00 2.34 0.00 0.00 41.12 44.55 1f8h n ASP 22 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1f8h n SER 23 N -0.89 0.36 -0.01 1.67 2.88 -0.61 -3.34 113.62 113.68 1f8h n SER 23 Ca 0.12 -0.12 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1f8h n SER 23 Cb 0.32 -0.08 -0.15 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.33 0.31 -0.84 2.46 4.77 -1.22 -5.04 117.00 116.11 1f8h n LEU 24 Ca 0.08 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1f8h n LEU 24 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1f8h n LEU 24 CO 0.29 0.08 0.00 -0.24 -1.33 0.00 0.00 177.39 176.19 1f8h n SER 25 N -2.01 -1.13 -4.79 -1.43 2.88 -1.21 -5.03 113.62 100.90 1f8h n SER 25 Ca -0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.19 1f8h n SER 25 Cb 0.48 -0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.10 3.53 -0.30 -1.46 0.04 -1.26 -4.89 135.00 130.57 1f8h s PRO 26 Ca 0.00 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.45 1f8h s PRO 26 Cb 0.00 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.57 1f8h s PRO 26 CO 0.00 -0.66 -0.01 0.08 0.04 0.00 0.00 177.00 176.45 1f8h s VAL 27 N -2.06 2.08 -1.36 -0.36 1.01 0.02 -4.64 120.40 115.09 1f8h s VAL 27 Ca 0.68 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1f8h s VAL 27 Cb -0.18 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1f8h s VAL 27 CO 0.27 -0.37 0.00 -3.20 0.00 0.00 0.00 175.10 171.80 1f8h n ASN 28 N 4.39 -4.98 -0.05 3.32 5.15 -1.26 -2.19 115.26 119.64 1f8h n ASN 28 Ca -0.04 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1f8h n ASN 28 Cb 0.42 -3.61 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 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 -0.83 1.33 2.89 8.20 0.00 -1.26 -5.08 105.19 110.45 1f8h n GLY 29 Ca -0.13 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.11 -0.04 0.24 1.61 0.08 -0.93 -3.82 117.98 113.00 1f8h s PHE 30 Ca 0.00 0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.28 1f8h s PHE 30 Cb 0.00 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.38 1f8h s PHE 30 CO 0.00 -0.04 0.06 -0.51 -0.10 0.00 0.00 175.22 174.62 1f8h s LEU 31 N 0.26 3.41 -0.03 -0.37 1.43 -0.59 -0.80 118.68 121.99 1f8h s LEU 31 Ca -0.02 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1f8h s LEU 31 Cb -0.03 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1f8h s LEU 31 CO -0.01 0.01 0.08 -0.94 0.23 0.00 0.00 176.35 175.73 1f8h s SER 32 N -3.52 5.72 0.60 2.29 1.04 -1.26 -0.64 113.70 117.93 1f8h s SER 32 Ca 0.31 0.20 0.29 0.00 0.48 0.00 0.00 55.95 57.23 1f8h s SER 32 Cb -0.08 -1.68 1.15 0.00 0.10 0.00 0.00 66.02 65.52 1f8h s SER 32 CO 0.21 0.31 1.50 1.23 0.98 0.00 0.00 173.24 177.47 1f8h h GLY 33 N 4.39 0.00 2.00 7.32 0.00 -1.13 2.65 103.07 118.30 1f8h h GLY 33 Ca -0.50 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 1f8h h GLY 33 CO 0.61 0.00 -0.28 -0.55 0.00 0.00 0.00 176.54 176.31 1f8h h ASP 34 N 0.00 0.00 0.32 0.19 5.19 -1.92 1.11 116.42 121.31 1f8h h ASP 34 Ca 0.45 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.53 1f8h h ASP 34 Cb 2.48 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.97 1f8h h ASP 34 CO -0.00 0.28 -1.79 0.11 -3.12 0.00 0.00 179.24 174.72 1f8h h LYS 35 N 0.00 0.19 0.07 3.56 1.57 0.42 -3.37 116.57 119.01 1f8h h LYS 35 Ca -0.00 -0.32 -0.24 0.00 -1.87 0.00 0.00 60.65 58.22 1f8h h LYS 35 Cb 0.76 0.12 0.02 0.00 0.08 0.00 0.00 32.23 33.21 1f8h h LYS 35 CO 0.04 0.98 -0.97 0.28 -0.57 0.00 0.00 179.45 179.21 1f8h h VAL 36 N 0.05 1.35 -0.97 0.50 2.07 -1.18 -3.15 116.25 114.93 1f8h h VAL 36 Ca -0.33 -2.32 0.18 0.00 0.82 0.00 0.00 66.70 65.04 1f8h h VAL 36 Cb 2.03 2.68 -0.17 0.00 -1.52 0.00 0.00 31.29 34.31 1f8h h VAL 36 CO 0.11 0.69 -0.30 0.50 0.02 0.00 0.00 177.57 178.59 1f8h h LYS 37 N 0.10 -0.01 -0.14 1.57 3.64 0.11 0.89 116.57 122.73 1f8h h LYS 37 Ca -0.14 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 1f8h h LYS 37 Cb 1.67 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1f8h h LYS 37 CO 0.19 -0.00 -0.51 -1.00 -2.27 0.00 0.00 179.45 175.86 1f8h h PRO 38 N -0.01 0.39 -0.23 1.90 0.13 -1.72 0.14 132.00 132.60 1f8h h PRO 38 Ca 0.42 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1f8h h PRO 38 Cb 0.66 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1f8h h PRO 38 CO -0.99 0.81 0.07 0.28 -0.23 0.00 0.00 178.00 177.94 1f8h h VAL 39 N 0.31 1.11 0.00 1.56 2.07 0.65 -1.98 116.25 119.98 1f8h h VAL 39 Ca 0.01 -0.36 -0.28 0.00 0.82 0.00 0.00 66.70 66.90 1f8h h VAL 39 Cb 1.00 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1f8h h VAL 39 CO 0.09 0.13 -1.69 0.18 0.02 0.00 0.00 177.57 176.30 1f8h n LEU 40 N -4.42 0.84 0.00 2.57 4.77 0.79 -3.63 117.00 117.92 1f8h n LEU 40 Ca 0.00 0.40 0.07 0.00 -0.03 0.00 0.00 56.01 56.45 1f8h n LEU 40 Cb 0.14 0.17 0.31 0.00 -2.33 0.00 0.00 43.42 41.71 1f8h n LEU 40 CO 0.36 0.35 0.72 0.18 -1.33 0.00 0.00 177.39 177.68 1f8h n LEU 41 N -3.01 0.00 -0.07 2.23 4.77 0.48 -1.96 117.00 119.44 1f8h n LEU 41 Ca -0.16 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.42 1f8h n LEU 41 Cb 1.02 -0.48 0.26 0.00 -2.33 0.00 0.00 43.42 41.90 1f8h n LEU 41 CO 0.45 -0.24 0.48 -3.20 -1.33 0.00 0.00 177.39 173.54 1f8h n ASN 42 N -1.48 0.67 -0.42 -1.43 5.15 -0.79 -3.94 115.26 113.02 1f8h n ASN 42 Ca 0.04 -0.46 0.01 0.00 -0.60 0.00 0.00 54.58 53.57 1f8h n ASN 42 Cb 0.16 0.26 0.04 0.00 -0.53 0.00 0.00 39.78 39.71 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1f8h n SER 43 N -1.27 1.02 -0.64 1.20 3.41 -0.83 -4.82 113.62 111.70 1f8h n SER 43 Ca 0.07 -2.06 -0.08 0.00 -0.26 0.00 0.00 58.87 56.55 1f8h n SER 43 Cb 0.34 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.08 -1.77 -3.79 4.33 3.00 -1.25 -4.92 118.16 113.67 1f8h n LYS 44 Ca 0.03 0.77 -0.24 0.00 -0.00 0.00 0.00 58.31 58.87 1f8h n LYS 44 Cb 0.22 -5.17 -0.02 0.00 0.00 0.00 0.00 35.03 30.06 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 -1.88 4.24 0.84 3.14 1.43 -1.26 -5.09 118.68 120.10 1f8h s LEU 45 Ca 0.00 0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1f8h s LEU 45 Cb 0.00 -3.03 0.10 0.00 0.03 0.00 0.00 46.19 43.29 1f8h s LEU 45 CO 0.00 -0.09 1.11 -2.16 0.23 0.00 0.00 176.35 175.44 1f8h s PRO 46 N -3.77 1.72 0.00 1.29 0.04 -1.26 -4.84 135.00 128.18 1f8h s PRO 46 Ca 0.36 0.51 0.12 0.00 0.04 0.00 0.00 61.00 62.04 1f8h s PRO 46 Cb -0.10 -1.89 0.60 0.00 0.04 0.00 0.00 34.50 33.15 1f8h s PRO 46 CO 0.30 -1.85 1.33 0.28 0.04 0.00 0.00 177.00 177.11 1f8h n VAL 47 N -3.56 0.82 0.10 -0.36 0.31 -1.26 -1.86 118.33 112.51 1f8h n VAL 47 Ca 0.07 0.20 -0.04 0.00 -0.01 0.00 0.00 64.34 64.56 1f8h n VAL 47 Cb 0.57 -1.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.54 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 0.00 0.21 4.52 3.58 -1.97 0.34 116.42 123.09 1f8h h ASP 48 Ca 0.00 -0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 1f8h h ASP 48 Cb 0.14 -0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.21 1f8h h ASP 48 CO 0.00 0.79 -1.67 0.40 -2.88 0.00 0.00 179.24 175.88 1f8h h ILE 49 N 0.00 1.04 -0.02 2.25 1.08 -1.73 -2.90 117.51 117.23 1f8h h ILE 49 Ca -0.01 -2.56 -0.12 0.00 -0.39 0.00 0.00 64.86 61.78 1f8h h ILE 49 Cb 1.41 2.85 -0.02 0.00 -3.07 0.00 0.00 36.82 37.99 1f8h h ILE 49 CO 0.10 0.84 -0.55 -0.07 -0.69 0.00 0.00 178.15 177.79 1f8h h LEU 50 N 0.11 0.06 -0.93 1.44 3.38 -1.54 2.29 115.31 120.12 1f8h h LEU 50 Ca -0.32 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1f8h h LEU 50 Cb 2.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 1f8h h LEU 50 CO 0.21 0.60 -0.38 1.23 0.09 0.00 0.00 178.44 180.19 1f8h h GLY 51 N 1.60 0.00 0.00 0.83 0.00 -0.40 -0.51 103.07 104.59 1f8h h GLY 51 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1f8h h GLY 51 CO 0.07 0.00 -2.32 -2.13 0.00 0.00 0.00 176.54 172.16 1f8h n ARG 52 N -3.54 0.70 0.06 4.80 0.63 -0.90 -3.60 116.66 114.81 1f8h n ARG 52 Ca -0.00 -0.04 -0.10 0.00 -0.92 0.00 0.00 57.85 56.79 1f8h n ARG 52 Cb 0.51 -1.52 0.02 0.00 0.45 0.00 0.00 32.46 31.92 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 1.40 0.21 5.15 2.07 0.39 -2.91 116.25 122.55 1f8h h VAL 53 Ca -0.46 -2.25 -0.01 0.00 0.82 0.00 0.00 66.70 64.80 1f8h h VAL 53 Cb 2.04 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 1f8h h VAL 53 CO 0.03 0.67 -0.10 -0.25 0.02 0.00 0.00 177.57 177.94 1f8h h TRP 54 N 0.24 -0.26 -0.20 1.57 2.91 -1.27 -1.55 115.95 117.40 1f8h h TRP 54 Ca -0.04 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.02 1f8h h TRP 54 Cb 1.37 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 30.03 1f8h h TRP 54 CO 0.04 0.07 -0.48 0.93 -1.03 0.00 0.00 178.44 177.98 1f8h h GLU 55 N -0.61 -0.48 0.00 2.65 5.08 -1.61 2.82 114.58 122.43 1f8h h GLU 55 Ca -0.03 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f8h h GLU 55 Cb 0.45 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1f8h h GLU 55 CO 0.05 -0.32 0.00 1.28 -1.00 0.00 0.00 179.01 179.02 1f8h n LEU 56 N -5.43 0.38 -0.04 1.33 4.77 -1.10 -1.80 117.00 115.11 1f8h n LEU 56 Ca -0.04 0.65 -0.22 0.00 -0.03 0.00 0.00 56.01 56.38 1f8h n LEU 56 Cb 0.37 -0.67 -0.13 0.00 -2.33 0.00 0.00 43.42 40.66 1f8h n LEU 56 CO 0.08 -0.70 -0.84 -0.24 -1.33 0.00 0.00 177.39 174.36 1f8h n SER 57 N -1.99 2.04 -4.47 -1.43 2.88 0.46 -4.63 113.62 106.49 1f8h n SER 57 Ca 0.00 0.22 -0.25 0.00 -1.33 0.00 0.00 58.87 57.51 1f8h n SER 57 Cb 0.07 -0.83 -0.08 0.00 -0.75 0.00 0.00 64.21 62.61 1f8h n SER 57 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1f8h n ASP 58 N -3.71 2.35 -0.05 -3.46 -0.08 0.84 -4.70 116.55 107.74 1f8h n ASP 58 Ca -0.35 -2.62 0.24 0.00 -1.51 0.00 0.00 54.79 50.56 1f8h n ASP 58 Cb 0.95 -1.64 0.72 0.00 2.34 0.00 0.00 41.12 43.49 1f8h n ASP 58 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1f8h h ILE 59 N 6.17 0.44 0.00 5.18 1.08 -1.82 0.25 117.51 128.82 1f8h h ILE 59 Ca 0.16 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.62 1f8h h ILE 59 Cb 0.93 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1f8h h ILE 59 CO 1.24 0.00 -1.86 0.47 -0.69 0.00 0.00 178.15 177.30 1f8h n ASP 60 N -3.95 0.71 -3.48 1.72 8.00 -1.26 -4.95 116.55 113.34 1f8h n ASP 60 Ca 0.13 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.44 1f8h n ASP 60 Cb 0.82 1.84 0.09 0.00 -0.02 0.00 0.00 41.12 43.85 1f8h n ASP 60 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1f8h n HIS 61 N -2.16 -2.39 -0.11 1.24 8.25 0.08 -4.90 115.22 115.23 1f8h n HIS 61 Ca -0.04 0.96 0.03 0.00 -0.26 0.00 0.00 57.72 58.41 1f8h n HIS 61 Cb 0.50 -5.06 0.07 0.00 1.12 0.00 0.00 29.99 26.62 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 -3.10 2.42 0.00 0.41 5.75 -1.26 -4.95 116.55 115.83 1f8h n ASP 62 Ca -0.20 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 1f8h n ASP 62 Cb 0.64 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 -0.09 0.86 3.30 6.12 0.00 -1.26 -5.00 105.19 109.12 1f8h n GLY 63 Ca 0.05 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.85 1.03 -0.21 1.61 -1.94 -1.25 -0.50 119.30 115.19 1f8h s MET 64 Ca 0.00 -0.90 -0.01 0.00 -1.71 0.00 0.00 55.69 53.06 1f8h s MET 64 Cb 0.00 0.41 0.06 0.00 2.01 0.00 0.00 34.83 37.31 1f8h s MET 64 CO 0.00 -0.38 0.00 -0.51 -0.01 0.00 0.00 175.02 174.12 1f8h s LEU 65 N -2.86 1.76 0.76 -0.03 1.43 0.19 -4.73 118.68 115.19 1f8h s LEU 65 Ca 0.07 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 1f8h s LEU 65 Cb 0.03 -0.83 0.05 0.00 0.03 0.00 0.00 46.19 45.47 1f8h s LEU 65 CO -0.09 -0.28 1.09 -1.81 0.23 0.00 0.00 176.35 175.50 1f8h s ASP 66 N 1.67 4.58 0.34 2.29 1.11 -1.26 -1.54 116.67 123.86 1f8h s ASP 66 Ca -0.03 1.85 0.13 0.00 0.18 0.00 0.00 52.55 54.68 1f8h s ASP 66 Cb -0.18 -2.52 1.10 0.00 1.07 0.00 0.00 42.92 42.38 1f8h s ASP 66 CO -0.08 -1.98 1.59 0.08 1.18 0.00 0.00 175.17 175.96 1f8h h ARG 67 N -0.98 0.06 0.08 8.23 0.11 -1.95 1.70 114.38 121.63 1f8h h ARG 67 Ca -0.44 -0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.37 1f8h h ARG 67 Cb 1.23 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 1f8h h ARG 67 CO 0.52 0.04 -1.31 0.22 0.10 0.00 0.00 179.97 179.54 1f8h h ASP 68 N 0.06 0.25 0.03 0.08 3.58 -1.91 -3.13 116.42 115.37 1f8h h ASP 68 Ca 0.74 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.88 1f8h h ASP 68 Cb 1.79 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.76 1f8h h ASP 68 CO -0.78 1.25 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.74 1f8h h GLU 69 N 0.04 -0.03 -0.12 0.28 4.81 0.45 -2.49 114.58 117.52 1f8h h GLU 69 Ca -0.15 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1f8h h GLU 69 Cb 1.93 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.32 1f8h h GLU 69 CO 0.16 0.41 0.23 0.35 -0.73 0.00 0.00 179.01 179.43 1f8h h PHE 70 N -0.49 0.00 -0.07 0.92 3.04 0.20 -0.99 116.94 119.55 1f8h h PHE 70 Ca -0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1f8h h PHE 70 Cb 0.46 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.97 1f8h h PHE 70 CO 0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 178.31 176.36 1f8h h ALA 71 N 1.65 0.10 -0.08 2.41 0.00 -1.39 -2.63 119.26 119.33 1f8h h ALA 71 Ca 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1f8h h ALA 71 Cb 0.51 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1f8h h ALA 71 CO -0.00 -0.19 0.10 0.28 0.00 0.00 0.00 179.25 179.45 1f8h h VAL 72 N -0.19 0.43 0.00 0.00 2.07 -1.11 -0.76 116.25 116.69 1f8h h VAL 72 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1f8h h VAL 72 Cb 0.40 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1f8h h VAL 72 CO 0.01 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.27 1f8h n ALA 73 N -2.28 2.74 0.05 1.67 0.00 -1.01 -3.21 120.51 118.46 1f8h n ALA 73 Ca -0.01 -0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 1f8h n ALA 73 Cb 0.20 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 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 0.00 0.24 0.00 0.00 0.00 -0.95 -3.13 114.93 111.09 1f8h h MET 74 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 59.70 59.17 1f8h h MET 74 Cb 0.67 0.15 -0.02 0.00 0.00 0.00 0.00 31.60 32.40 1f8h h MET 74 CO 0.00 1.08 -0.60 0.27 0.00 0.00 0.00 176.91 177.65 1f8h h PHE 75 N 0.06 0.00 0.00 -0.22 -5.15 -1.68 -2.08 116.94 107.88 1f8h h PHE 75 Ca -0.28 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.46 1f8h h PHE 75 Cb 2.02 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.19 1f8h h PHE 75 CO 0.06 0.60 -0.14 -0.07 -2.00 0.00 0.00 178.31 176.77 1f8h h LEU 76 N 0.00 0.00 0.03 2.10 3.38 -1.65 -1.63 115.31 117.54 1f8h h LEU 76 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1f8h h LEU 76 Cb 1.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 1f8h h LEU 76 CO 0.08 0.14 -1.83 0.52 0.09 0.00 0.00 178.44 177.43 1f8h n VAL 77 N -3.27 1.65 0.18 1.22 0.31 -1.12 -3.68 118.33 113.62 1f8h n VAL 77 Ca 0.01 -0.76 0.07 0.00 -0.01 0.00 0.00 64.34 63.65 1f8h n VAL 77 Cb 0.40 -1.21 0.16 0.00 -0.91 0.00 0.00 33.84 32.27 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 0.02 0.00 0.00 3.52 0.05 -1.26 -3.05 116.97 116.25 1f8h h TYR 78 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1f8h h TYR 78 Cb 2.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.77 1f8h h TYR 78 CO 0.02 0.30 -0.21 0.00 -1.05 0.00 0.00 178.16 177.22 1f8h n ALA 80 N -1.74 2.91 -0.08 0.00 0.00 -1.10 0.27 120.51 120.78 1f8h n ALA 80 Ca 0.05 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1f8h n ALA 80 Cb 0.41 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.04 2.22 -0.00 0.00 4.77 -1.18 -4.69 117.00 116.09 1f8h n LEU 81 Ca 0.04 0.29 0.01 0.00 -0.03 0.00 0.00 56.01 56.32 1f8h n LEU 81 Cb 0.42 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.51 1f8h n LEU 81 CO 0.35 0.57 -0.06 -0.62 -1.33 0.00 0.00 177.39 176.29 1f8h n GLU 82 N -4.00 5.74 0.00 3.23 1.02 -1.17 -4.96 120.64 120.50 1f8h n GLU 82 Ca -0.37 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1f8h n GLU 82 Cb 0.86 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 1f8h n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f8h n LYS 83 N -1.10 0.00 -4.06 3.49 4.76 -0.59 -5.05 118.16 115.60 1f8h n LYS 83 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1f8h n LYS 83 Cb 0.03 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.14 1f8h n LYS 83 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1f8h s GLU 84 N 0.00 1.23 0.96 1.97 0.41 0.77 -4.94 118.70 119.11 1f8h s GLU 84 Ca 0.00 -1.36 -0.16 0.00 -0.41 0.00 0.00 54.97 53.04 1f8h s GLU 84 Cb 0.00 0.35 0.25 0.00 -1.78 0.00 0.00 34.13 32.95 1f8h s GLU 84 CO 0.00 -0.45 0.63 -0.35 -0.49 0.00 0.00 175.26 174.60 1f8h n PRO 85 N -0.25 -3.61 -4.18 0.39 -0.04 -1.26 -2.72 135.00 123.32 1f8h n PRO 85 Ca -0.03 -1.04 -0.34 0.00 -0.04 0.00 0.00 63.50 62.05 1f8h n PRO 85 Cb 0.64 -1.25 -0.15 0.00 -0.04 0.00 0.00 33.50 32.70 1f8h n PRO 85 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1f8h s VAL 86 N -1.89 2.87 0.00 0.52 1.01 -1.26 -4.75 120.40 116.89 1f8h s VAL 86 Ca 0.46 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1f8h s VAL 86 Cb -0.07 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1f8h s VAL 86 CO 0.38 0.48 0.00 -0.81 0.00 0.00 0.00 175.10 175.15 1f8h n PRO 87 N 4.46 0.39 -0.06 2.72 -0.04 -1.26 -4.92 135.00 136.30 1f8h n PRO 87 Ca -0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1f8h n PRO 87 Cb 0.51 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.09 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 -0.71 1.51 -3.59 0.54 2.81 -1.26 -4.80 117.12 111.61 1f8h n MET 88 Ca 0.00 -2.43 -0.39 0.00 -1.81 0.00 0.00 57.70 53.07 1f8h n MET 88 Cb 0.00 -1.43 -0.11 0.00 -0.71 0.00 0.00 33.22 30.97 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 -2.62 5.90 -1.09 7.83 0.01 -1.26 -4.91 113.70 117.55 1f8h s SER 89 Ca 0.28 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.25 1f8h s SER 89 Cb 0.24 -2.09 0.29 0.00 0.21 0.00 0.00 66.02 64.67 1f8h s SER 89 CO 0.03 -0.12 1.26 0.18 0.41 0.00 0.00 173.24 174.99 1f8h n LEU 90 N 5.05 5.85 -4.52 2.44 4.77 -1.26 -5.04 117.00 124.29 1f8h n LEU 90 Ca -0.14 -5.13 -0.30 0.00 -0.03 0.00 0.00 56.01 50.42 1f8h n LEU 90 Cb 0.51 -1.36 0.25 0.00 -2.33 0.00 0.00 43.42 40.48 1f8h n LEU 90 CO 0.34 1.52 0.56 -2.16 -1.33 0.00 0.00 177.39 176.32 1f8h s PRO 91 N -1.97 -1.41 0.00 3.23 0.04 -1.26 -4.87 135.00 128.76 1f8h s PRO 91 Ca 0.31 0.17 0.16 0.00 0.04 0.00 0.00 61.00 61.68 1f8h s PRO 91 Cb -0.03 -1.55 0.75 0.00 0.04 0.00 0.00 34.50 33.71 1f8h s PRO 91 CO 0.00 -3.89 1.47 -0.35 0.04 0.00 0.00 177.00 174.27 1f8h n PRO 92 N -4.93 0.15 0.00 0.56 -0.04 -1.26 -2.27 135.00 127.21 1f8h n PRO 92 Ca 0.10 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1f8h n PRO 92 Cb 0.59 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.16 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 -1.36 2.27 -0.29 0.55 0.00 -1.26 -3.26 120.51 117.17 1f8h n ALA 93 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1f8h n ALA 93 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.43 1.12 -4.54 0.00 4.77 -0.96 0.28 117.00 116.23 1f8h n LEU 94 Ca 0.09 -1.12 -0.37 0.00 -0.03 0.00 0.00 56.01 54.58 1f8h n LEU 94 Cb 0.28 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1f8h n LEU 94 CO 0.24 0.28 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.65 1f8h s VAL 95 N -0.41 4.80 1.23 4.08 1.01 -1.20 -4.93 120.40 124.98 1f8h s VAL 95 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1f8h s VAL 95 Cb 0.00 -3.24 0.30 0.00 0.00 0.00 0.00 36.38 33.44 1f8h s VAL 95 CO 0.00 0.33 1.13 -2.16 0.00 0.00 0.00 175.10 174.40 1f8h s PRO 96 N 1.40 -1.44 0.00 2.72 0.04 -1.26 -4.87 135.00 131.59 1f8h s PRO 96 Ca 0.06 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1f8h s PRO 96 Cb -0.15 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1f8h s PRO 96 CO 0.06 -3.83 0.89 -0.35 0.04 0.00 0.00 177.00 173.80 1f8h n PRO 97 N -4.82 0.95 -0.09 0.56 -0.04 -1.26 -3.61 135.00 126.68 1f8h n PRO 97 Ca 0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 1f8h n PRO 97 Cb 0.60 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.90 1f8h n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f8h n SER 98 N 0.46 2.33 -0.81 3.54 2.88 -1.26 -4.38 113.62 116.39 1f8h n SER 98 Ca 0.00 -0.02 0.05 0.00 -1.33 0.00 0.00 58.87 57.57 1f8h n SER 98 Cb 0.44 -0.34 0.17 0.00 -0.75 0.00 0.00 64.21 63.73 1f8h n SER 98 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1f8h n LYS 99 N -3.21 2.12 0.00 -1.46 4.81 -1.24 -5.17 118.16 114.02 1f8h n LYS 99 Ca -0.33 -1.40 0.16 0.00 -0.87 0.00 0.00 58.31 55.87 1f8h n LYS 99 Cb 0.82 -1.43 0.94 0.00 0.02 0.00 0.00 35.03 35.38 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11