#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 2.91 0.57 0.54 -0.00 -1.26 -4.79 118.94 116.91 1f8h s TRP 7 Ca 0.00 0.78 0.43 0.00 -0.00 0.00 0.00 56.10 57.31 1f8h s TRP 7 Cb 0.00 -3.72 1.50 0.00 -0.00 0.00 0.00 33.47 31.25 1f8h s TRP 7 CO 0.00 -2.66 1.51 0.00 -0.00 0.00 0.00 176.95 175.80 1f8h h ALA 8 N 7.57 3.58 -2.00 5.86 0.00 0.32 -3.38 119.26 131.22 1f8h h ALA 8 Ca -0.40 -0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.00 1f8h h ALA 8 Cb 1.19 0.13 0.03 0.00 0.00 0.00 0.00 17.79 19.14 1f8h h ALA 8 CO 0.89 -2.20 -0.11 0.08 0.00 0.00 0.00 179.25 177.91 1f8h s VAL 9 N -4.74 3.79 0.44 0.00 1.01 -1.26 -5.05 120.40 114.59 1f8h s VAL 9 Ca -0.04 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1f8h s VAL 9 Cb 0.23 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 1f8h s VAL 9 CO 0.77 -0.26 0.02 -0.54 0.00 0.00 0.00 175.10 175.09 1f8h s LYS 10 N -4.55 2.05 0.25 2.72 1.02 -1.26 -5.00 119.74 114.98 1f8h s LYS 10 Ca 0.49 -2.18 0.00 0.00 0.02 0.00 0.00 55.97 54.30 1f8h s LYS 10 Cb -0.10 -1.63 0.32 0.00 -0.52 0.00 0.00 37.83 35.90 1f8h s LYS 10 CO 0.37 -0.16 1.67 -1.00 -0.92 0.00 0.00 175.35 175.32 1f8h h PRO 11 N 1.61 0.56 0.00 -1.68 0.13 -1.97 0.63 132.00 131.28 1f8h h PRO 11 Ca -0.44 -0.23 -0.12 0.00 -0.87 0.00 0.00 66.00 64.35 1f8h h PRO 11 Cb 1.26 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1f8h h PRO 11 CO 0.78 0.78 -0.55 1.05 -0.23 0.00 0.00 178.00 179.83 1f8h h GLU 12 N 0.49 0.00 0.22 0.86 4.11 -1.99 -1.82 114.58 116.44 1f8h h GLU 12 Ca 0.06 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.17 1f8h h GLU 12 Cb 0.73 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.01 1f8h h GLU 12 CO 0.06 0.55 -1.49 -0.44 0.07 0.00 0.00 179.01 177.75 1f8h h ASP 13 N 0.00 0.71 0.73 3.06 3.32 -1.88 -3.12 116.42 119.24 1f8h h ASP 13 Ca -0.01 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1f8h h ASP 13 Cb 1.05 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1f8h h ASP 13 CO 0.07 1.65 0.00 0.50 -1.72 0.00 0.00 179.24 179.74 1f8h h LYS 14 N 0.12 0.00 0.00 3.56 1.63 -0.81 0.79 116.57 121.87 1f8h h LYS 14 Ca -0.25 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.37 1f8h h LYS 14 Cb 2.12 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.72 1f8h h LYS 14 CO 0.24 0.00 -0.92 0.00 -3.45 0.00 0.00 179.45 175.32 1f8h h ALA 15 N 2.13 0.48 0.07 5.00 0.00 -1.28 -0.83 119.26 124.83 1f8h h ALA 15 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 54.91 53.76 1f8h h ALA 15 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1f8h h ALA 15 CO 0.00 1.09 -1.90 1.63 0.00 0.00 0.00 179.25 180.07 1f8h n LYS 16 N -3.28 0.70 0.22 0.00 5.02 -0.67 -2.79 118.16 117.36 1f8h n LYS 16 Ca -0.01 0.27 0.06 0.00 -2.02 0.00 0.00 58.31 56.61 1f8h n LYS 16 Cb 0.89 -1.74 0.51 0.00 -0.02 0.00 0.00 35.03 34.67 1f8h n LYS 16 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1f8h h TYR 17 N 0.04 0.00 0.00 2.13 -1.99 0.52 -0.12 116.97 117.55 1f8h h TYR 17 Ca -0.37 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.27 1f8h h TYR 17 Cb 2.03 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.75 1f8h h TYR 17 CO 0.04 0.23 -0.50 -0.44 -0.00 0.00 0.00 178.16 177.50 1f8h h ASP 18 N 0.00 0.00 0.93 3.88 5.19 -1.21 -1.26 116.42 123.95 1f8h h ASP 18 Ca -0.00 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 1f8h h ASP 18 Cb 0.45 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 1f8h h ASP 18 CO 0.03 0.41 -1.06 0.00 -3.12 0.00 0.00 179.24 175.50 1f8h h ALA 19 N 1.59 0.33 0.00 3.45 0.00 -1.04 -1.53 119.26 122.06 1f8h h ALA 19 Ca -0.01 -0.93 -0.18 0.00 0.00 0.00 0.00 54.91 53.79 1f8h h ALA 19 Cb 1.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1f8h h ALA 19 CO 0.05 1.22 -0.90 0.82 0.00 0.00 0.00 179.25 180.44 1f8h h ILE 20 N 0.01 1.40 -0.01 0.00 2.04 -1.07 -1.43 117.51 118.45 1f8h h ILE 20 Ca -0.04 -3.01 -0.22 0.00 1.00 0.00 0.00 64.86 62.59 1f8h h ILE 20 Cb 1.81 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 40.58 1f8h h ILE 20 CO 0.14 0.80 -0.91 0.15 0.00 0.00 0.00 178.15 178.32 1f8h h PHE 21 N 0.00 0.61 -0.01 1.37 3.04 -1.20 -3.07 116.94 117.68 1f8h h PHE 21 Ca -0.03 -0.33 0.00 0.00 3.98 0.00 0.00 57.97 61.60 1f8h h PHE 21 Cb 1.67 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 40.10 1f8h h PHE 21 CO 0.00 1.14 -0.14 -3.47 -2.02 0.00 0.00 178.31 173.82 1f8h n ASP 22 N -3.76 1.11 -0.13 0.41 2.03 -0.58 -3.54 116.55 112.10 1f8h n ASP 22 Ca -0.06 -1.08 0.13 0.00 0.52 0.00 0.00 54.79 54.30 1f8h n ASP 22 Cb 0.82 0.06 0.44 0.00 -0.72 0.00 0.00 41.12 41.72 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 -0.39 0.64 -0.00 1.67 7.64 -0.54 -3.49 113.62 119.15 1f8h n SER 23 Ca 0.15 -0.52 0.07 0.00 1.01 0.00 0.00 58.87 59.58 1f8h n SER 23 Cb 0.34 0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.02 0.52 -0.78 -3.43 4.77 -1.23 -5.05 117.00 110.78 1f8h n LEU 24 Ca 0.11 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 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 0.28 0.13 0.00 -1.54 -1.33 0.00 0.00 177.39 174.93 1f8h n SER 25 N -1.49 -1.04 -4.79 -1.43 3.41 -1.23 -4.99 113.62 102.06 1f8h n SER 25 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.28 1f8h n SER 25 Cb 0.26 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 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 -0.24 3.66 -0.24 4.33 0.04 -1.26 -4.84 135.00 136.44 1f8h s PRO 26 Ca 0.00 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.45 1f8h s PRO 26 Cb 0.00 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.53 1f8h s PRO 26 CO 0.00 -0.56 -0.07 0.08 0.04 0.00 0.00 177.00 176.49 1f8h s VAL 27 N -1.98 1.73 -1.06 -0.36 1.01 0.49 -4.66 120.40 115.56 1f8h s VAL 27 Ca 0.68 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1f8h s VAL 27 Cb -0.18 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1f8h s VAL 27 CO 0.23 -0.06 0.00 -3.20 0.00 0.00 0.00 175.10 172.07 1f8h n ASN 28 N 4.60 -5.05 -0.04 3.32 5.15 -1.26 -1.17 115.26 120.81 1f8h n ASN 28 Ca -0.13 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1f8h n ASN 28 Cb 0.44 -3.79 0.00 0.00 -0.53 0.00 0.00 39.78 35.89 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 0.22 1.37 3.27 8.20 0.00 -1.26 -5.09 105.19 111.89 1f8h n GLY 29 Ca -0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.07 -0.36 -0.12 1.61 0.08 -0.32 -3.76 117.98 113.05 1f8h s PHE 30 Ca 0.00 0.80 -0.02 0.00 0.12 0.00 0.00 56.93 57.84 1f8h s PHE 30 Cb 0.00 0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.56 1f8h s PHE 30 CO 0.00 -0.27 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.29 1f8h s LEU 31 N -0.29 3.23 0.30 -0.37 1.43 -0.27 -0.38 118.68 122.34 1f8h s LEU 31 Ca -0.04 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 1f8h s LEU 31 Cb -0.03 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 1f8h s LEU 31 CO 0.02 0.26 0.98 -0.44 0.23 0.00 0.00 176.35 177.40 1f8h s SER 32 N -0.18 7.34 0.59 2.29 0.01 -1.26 0.14 113.70 122.64 1f8h s SER 32 Ca 0.03 1.97 0.31 0.00 1.31 0.00 0.00 55.95 59.57 1f8h s SER 32 Cb -0.13 -2.60 1.21 0.00 0.21 0.00 0.00 66.02 64.72 1f8h s SER 32 CO 0.03 -0.07 1.51 1.23 0.41 0.00 0.00 173.24 176.35 1f8h h GLY 33 N 3.48 0.00 2.00 3.44 0.00 -1.80 2.37 103.07 112.56 1f8h h GLY 33 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1f8h h GLY 33 CO 0.66 0.00 -0.13 -0.55 0.00 0.00 0.00 176.54 176.52 1f8h h ASP 34 N 0.00 0.00 0.15 0.19 3.32 -1.88 1.71 116.42 119.90 1f8h h ASP 34 Ca 0.50 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.20 1f8h h ASP 34 Cb 2.61 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 42.10 1f8h h ASP 34 CO -0.01 0.13 -2.17 0.29 -1.72 0.00 0.00 179.24 175.76 1f8h n LYS 35 N -3.43 0.68 0.09 3.56 5.02 0.79 -4.26 118.16 120.61 1f8h n LYS 35 Ca -0.01 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.21 1f8h n LYS 35 Cb 0.30 -1.62 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.32 -0.76 -0.18 2.07 -1.09 -3.16 116.25 114.46 1f8h h VAL 36 Ca -0.47 -2.53 0.12 0.00 0.82 0.00 0.00 66.70 64.64 1f8h h VAL 36 Cb 2.09 2.70 -0.13 0.00 -1.52 0.00 0.00 31.29 34.43 1f8h h VAL 36 CO 0.03 0.77 -0.39 0.11 0.02 0.00 0.00 177.57 178.10 1f8h h LYS 37 N 0.25 -0.10 -0.09 1.57 1.57 0.24 0.53 116.57 120.53 1f8h h LYS 37 Ca -0.17 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1f8h h LYS 37 Cb 1.90 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.22 1f8h h LYS 37 CO 0.23 -0.07 -0.35 -1.00 -0.57 0.00 0.00 179.45 177.69 1f8h h PRO 38 N -0.11 0.18 -0.09 3.15 0.13 -1.75 0.38 132.00 133.90 1f8h h PRO 38 Ca 0.26 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 1f8h h PRO 38 Cb 0.56 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1f8h h PRO 38 CO -0.81 0.52 -0.16 0.28 -0.23 0.00 0.00 178.00 177.59 1f8h h VAL 39 N 0.16 1.17 0.04 1.56 2.07 -0.06 -1.05 116.25 120.13 1f8h h VAL 39 Ca 0.02 -0.76 -0.35 0.00 0.82 0.00 0.00 66.70 66.43 1f8h h VAL 39 Cb 0.70 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1f8h h VAL 39 CO 0.05 0.23 -2.10 0.18 0.02 0.00 0.00 177.57 175.95 1f8h n LEU 40 N -4.28 1.63 0.13 2.57 4.77 0.53 -3.86 117.00 118.49 1f8h n LEU 40 Ca -0.01 0.15 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 1f8h n LEU 40 Cb 0.27 -0.35 0.50 0.00 -2.33 0.00 0.00 43.42 41.50 1f8h n LEU 40 CO 0.37 0.66 0.84 0.18 -1.33 0.00 0.00 177.39 178.12 1f8h n LEU 41 N -3.15 0.62 -0.26 2.23 4.77 0.13 -1.20 117.00 120.14 1f8h n LEU 41 Ca -0.31 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1f8h n LEU 41 Cb 1.06 -0.62 0.36 0.00 -2.33 0.00 0.00 43.42 41.89 1f8h n LEU 41 CO 0.40 -0.62 0.64 -3.20 -1.33 0.00 0.00 177.39 173.28 1f8h n ASN 42 N -2.21 1.08 -0.78 -1.43 5.15 -0.41 -3.91 115.26 112.75 1f8h n ASN 42 Ca 0.01 -0.93 0.02 0.00 -0.60 0.00 0.00 54.58 53.08 1f8h n ASN 42 Cb 0.19 0.15 0.10 0.00 -0.53 0.00 0.00 39.78 39.69 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1f8h n SER 43 N -0.60 2.03 -0.56 1.20 7.64 -0.34 -4.82 113.62 118.17 1f8h n SER 43 Ca 0.12 -2.20 -0.07 0.00 1.01 0.00 0.00 58.87 57.73 1f8h n SER 43 Cb 0.35 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1f8h n SER 43 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1f8h n LYS 44 N 0.14 -1.79 -3.94 1.43 3.00 -1.25 -4.79 118.16 110.96 1f8h n LYS 44 Ca 0.07 0.75 -0.29 0.00 -0.00 0.00 0.00 58.31 58.84 1f8h n LYS 44 Cb 0.44 -5.20 -0.04 0.00 0.00 0.00 0.00 35.03 30.24 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 -1.65 4.33 0.88 3.14 1.43 -1.26 -5.07 118.68 120.48 1f8h s LEU 45 Ca 0.00 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 1f8h s LEU 45 Cb 0.00 -2.92 0.12 0.00 0.03 0.00 0.00 46.19 43.42 1f8h s LEU 45 CO 0.00 0.12 1.15 -2.16 0.23 0.00 0.00 176.35 175.69 1f8h s PRO 46 N -2.82 1.40 0.00 1.29 0.04 -1.26 -4.74 135.00 128.91 1f8h s PRO 46 Ca 0.35 0.23 0.17 0.00 0.04 0.00 0.00 61.00 61.78 1f8h s PRO 46 Cb -0.12 -1.87 0.89 0.00 0.04 0.00 0.00 34.50 33.43 1f8h s PRO 46 CO 0.28 -2.01 1.48 0.28 0.04 0.00 0.00 177.00 177.07 1f8h n VAL 47 N -3.62 0.41 0.09 -0.36 0.31 -1.26 -2.31 118.33 111.59 1f8h n VAL 47 Ca 0.07 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 1f8h n VAL 47 Cb 0.60 -0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 32.60 1f8h n VAL 47 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1f8h h ASP 48 N 0.00 0.33 0.17 4.52 5.19 -1.98 -0.32 116.42 124.33 1f8h h ASP 48 Ca 0.00 -0.33 -0.26 0.00 -0.62 0.00 0.00 57.03 55.82 1f8h h ASP 48 Cb 0.12 -0.11 0.03 0.00 0.18 0.00 0.00 39.33 39.56 1f8h h ASP 48 CO 0.00 1.21 -1.12 0.40 -3.12 0.00 0.00 179.24 176.61 1f8h h ILE 49 N 0.08 1.38 0.00 0.35 1.08 -1.82 -3.15 117.51 115.43 1f8h h ILE 49 Ca -0.09 -2.55 -0.08 0.00 -0.39 0.00 0.00 64.86 61.75 1f8h h ILE 49 Cb 1.81 3.02 -0.01 0.00 -3.07 0.00 0.00 36.82 38.56 1f8h h ILE 49 CO 0.17 0.75 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.92 1f8h h LEU 50 N -0.05 0.00 -1.61 1.44 3.38 -1.59 1.40 115.31 118.28 1f8h h LEU 50 Ca -0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1f8h h LEU 50 Cb 1.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1f8h h LEU 50 CO 0.21 0.40 -0.17 1.23 0.09 0.00 0.00 178.44 180.20 1f8h h GLY 51 N 1.28 0.00 0.00 0.83 0.00 -1.07 -0.73 103.07 103.38 1f8h h GLY 51 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1f8h h GLY 51 CO 0.05 0.00 -2.36 -2.13 0.00 0.00 0.00 176.54 172.11 1f8h n ARG 52 N -3.57 0.77 -0.03 4.80 0.63 -0.54 -3.68 116.66 115.04 1f8h n ARG 52 Ca -0.01 0.03 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 1f8h n ARG 52 Cb 0.31 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 31.83 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 1.29 0.12 5.15 2.07 0.20 -2.27 116.25 122.80 1f8h h VAL 53 Ca -0.54 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1f8h h VAL 53 Cb 2.11 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1f8h h VAL 53 CO -0.00 0.47 -0.06 -0.25 0.02 0.00 0.00 177.57 177.75 1f8h h TRP 54 N 0.53 -0.15 -0.04 1.57 2.91 -1.33 -1.83 115.95 117.61 1f8h h TRP 54 Ca 0.06 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.11 1f8h h TRP 54 Cb 0.83 0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 29.48 1f8h h TRP 54 CO 0.04 0.27 -0.42 0.93 -1.03 0.00 0.00 178.44 178.22 1f8h h GLU 55 N -0.65 -0.53 0.00 2.65 5.08 -1.62 2.97 114.58 122.49 1f8h h GLU 55 Ca -0.02 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1f8h h GLU 55 Cb 0.50 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1f8h h GLU 55 CO 0.03 -0.36 0.00 1.28 -1.00 0.00 0.00 179.01 178.96 1f8h n LEU 56 N -5.45 0.52 -0.01 1.33 4.77 -0.86 -0.50 117.00 116.81 1f8h n LEU 56 Ca -0.05 0.73 0.04 0.00 -0.03 0.00 0.00 56.01 56.70 1f8h n LEU 56 Cb 0.37 -0.78 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 1f8h n LEU 56 CO 0.15 -0.87 -0.67 -0.24 -1.33 0.00 0.00 177.39 174.42 1f8h n SER 57 N -2.19 0.26 -4.38 -1.43 2.88 0.32 -4.71 113.62 104.37 1f8h n SER 57 Ca -0.01 0.11 -0.46 0.00 -1.33 0.00 0.00 58.87 57.18 1f8h n SER 57 Cb 0.05 1.25 -0.02 0.00 -0.75 0.00 0.00 64.21 64.74 1f8h n SER 57 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1f8h s ASP 58 N -5.07 6.66 0.08 -3.46 2.15 0.91 -4.52 116.67 113.43 1f8h s ASP 58 Ca -0.07 -2.34 0.23 0.00 0.43 0.00 0.00 52.55 50.81 1f8h s ASP 58 Cb 0.11 -2.29 0.12 0.00 -0.30 0.00 0.00 42.92 40.55 1f8h s ASP 58 CO 0.86 -0.81 1.10 -0.38 -0.17 0.00 0.00 175.17 175.77 1f8h n ILE 59 N 4.69 0.27 0.36 4.11 5.41 -1.26 -3.85 119.36 129.09 1f8h n ILE 59 Ca 0.16 -0.29 0.12 0.00 1.00 0.00 0.00 62.75 63.73 1f8h n ILE 59 Cb 0.47 0.04 0.09 0.00 -0.71 0.00 0.00 39.64 39.53 1f8h n ILE 59 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1f8h h ASP 60 N 0.00 0.00 -5.88 4.38 3.32 -1.90 -3.48 116.42 112.86 1f8h h ASP 60 Ca 0.00 -0.13 -0.38 0.00 0.02 0.00 0.00 57.03 56.54 1f8h h ASP 60 Cb 0.77 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.43 1f8h h ASP 60 CO 0.00 0.06 -0.77 1.41 -1.72 0.00 0.00 179.24 178.23 1f8h n HIS 61 N -2.38 -2.27 -0.65 4.55 8.25 -1.25 -4.89 115.22 116.58 1f8h n HIS 61 Ca 0.02 0.93 0.06 0.00 -0.26 0.00 0.00 57.72 58.46 1f8h n HIS 61 Cb 0.49 -4.77 0.09 0.00 1.12 0.00 0.00 29.99 26.92 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 -3.05 2.24 -1.87 0.41 5.68 -1.26 -4.96 116.55 113.74 1f8h n ASP 62 Ca -0.20 -2.66 -0.14 0.00 -0.50 0.00 0.00 54.79 51.29 1f8h n ASP 62 Cb 0.63 -0.26 0.01 0.00 -1.14 0.00 0.00 41.12 40.36 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 -1.05 -0.12 3.30 6.12 0.00 -1.26 -5.00 105.19 107.18 1f8h n GLY 63 Ca 0.10 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.09 1.04 -0.30 1.61 -1.94 -1.26 -2.23 119.30 111.13 1f8h s MET 64 Ca 0.13 -0.83 0.03 0.00 -1.71 0.00 0.00 55.69 53.32 1f8h s MET 64 Cb -0.06 0.43 0.08 0.00 2.01 0.00 0.00 34.83 37.29 1f8h s MET 64 CO 0.17 -0.39 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.25 1f8h s LEU 65 N -2.84 4.11 0.82 -0.03 1.43 0.38 -4.78 118.68 117.77 1f8h s LEU 65 Ca 0.05 -1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 51.28 1f8h s LEU 65 Cb 0.03 -1.60 0.08 0.00 0.03 0.00 0.00 46.19 44.73 1f8h s LEU 65 CO -0.10 -0.29 1.09 1.51 0.23 0.00 0.00 176.35 178.79 1f8h s ASP 66 N 1.02 4.19 0.36 2.29 -4.77 -1.26 -1.11 116.67 117.39 1f8h s ASP 66 Ca 0.01 1.51 0.19 0.00 -3.30 0.00 0.00 52.55 50.95 1f8h s ASP 66 Cb -0.20 -2.23 1.26 0.00 -1.09 0.00 0.00 42.92 40.66 1f8h s ASP 66 CO -0.06 -2.19 1.61 0.08 0.70 0.00 0.00 175.17 175.31 1f8h h ARG 67 N -1.24 0.12 0.06 2.11 0.11 -1.96 1.06 114.38 114.64 1f8h h ARG 67 Ca -0.47 -0.01 -0.24 0.00 0.10 0.00 0.00 59.98 59.37 1f8h h ARG 67 Cb 1.26 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1f8h h ARG 67 CO 0.56 0.08 -1.09 -0.44 0.10 0.00 0.00 179.97 179.17 1f8h h ASP 68 N 0.12 0.20 0.18 0.08 5.19 -1.91 -3.06 116.42 117.22 1f8h h ASP 68 Ca 0.81 -0.21 -0.29 0.00 -0.62 0.00 0.00 57.03 56.71 1f8h h ASP 68 Cb 2.05 -0.06 0.03 0.00 0.18 0.00 0.00 39.33 41.52 1f8h h ASP 68 CO -0.70 1.15 -1.22 -0.33 -3.12 0.00 0.00 179.24 175.03 1f8h h GLU 69 N 0.04 0.59 0.00 3.56 5.08 0.05 -2.93 114.58 120.97 1f8h h GLU 69 Ca -0.07 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 1f8h h GLU 69 Cb 1.84 0.26 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1f8h h GLU 69 CO 0.16 1.35 0.00 0.35 -1.00 0.00 0.00 179.01 179.87 1f8h h PHE 70 N 0.27 0.00 0.07 4.33 3.04 0.72 -1.91 116.94 123.45 1f8h h PHE 70 Ca -0.18 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.60 1f8h h PHE 70 Cb 1.89 0.00 0.02 0.00 2.56 0.00 0.00 35.95 40.42 1f8h h PHE 70 CO 0.11 0.00 -0.70 0.00 -2.02 0.00 0.00 178.31 175.69 1f8h h ALA 71 N 2.02 -0.00 -0.04 2.41 0.00 -1.41 -2.63 119.26 119.62 1f8h h ALA 71 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1f8h h ALA 71 Cb 0.11 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f8h h ALA 71 CO 0.00 0.36 -0.05 0.28 0.00 0.00 0.00 179.25 179.84 1f8h h VAL 72 N -0.22 1.07 -0.01 0.00 2.07 -1.30 -0.83 116.25 117.03 1f8h h VAL 72 Ca -0.11 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1f8h h VAL 72 Cb 1.47 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1f8h h VAL 72 CO 0.14 0.09 -0.14 0.00 0.02 0.00 0.00 177.57 177.68 1f8h n ALA 73 N -2.52 2.84 -0.06 1.67 0.00 -1.02 -3.20 120.51 118.21 1f8h n ALA 73 Ca -0.02 -0.41 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 1f8h n ALA 73 Cb 0.15 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 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 1.64 0.05 0.00 0.00 2.86 -0.75 -2.80 114.93 115.92 1f8h h MET 74 Ca 0.00 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1f8h h MET 74 Cb 0.49 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1f8h h MET 74 CO 0.00 1.04 -0.30 0.27 1.06 0.00 0.00 176.91 178.98 1f8h h PHE 75 N -0.88 0.00 0.00 -0.22 -0.00 -1.70 -0.81 116.94 113.33 1f8h h PHE 75 Ca -0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.77 1f8h h PHE 75 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.17 1f8h h PHE 75 CO 0.20 0.30 -0.25 -0.07 -0.00 0.00 0.00 178.31 178.50 1f8h h LEU 76 N 0.00 0.00 0.04 2.10 3.38 -1.65 -0.52 115.31 118.66 1f8h h LEU 76 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1f8h h LEU 76 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1f8h h LEU 76 CO 0.04 0.25 -1.70 0.52 0.09 0.00 0.00 178.44 177.63 1f8h n VAL 77 N -3.44 1.61 0.21 1.22 0.31 -0.97 -3.67 118.33 113.60 1f8h n VAL 77 Ca -0.00 -0.29 0.07 0.00 -0.01 0.00 0.00 64.34 64.11 1f8h n VAL 77 Cb 0.43 -1.90 0.44 0.00 -0.91 0.00 0.00 33.84 31.90 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 -0.62 0.00 0.00 3.52 0.05 -1.18 -2.27 116.97 116.47 1f8h h TYR 78 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.35 1f8h h TYR 78 Cb 1.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.34 1f8h h TYR 78 CO 0.07 0.31 -0.09 0.00 -1.05 0.00 0.00 178.16 177.39 1f8h n ALA 80 N -1.68 3.54 -0.04 0.00 0.00 -0.86 -1.83 120.51 119.63 1f8h n ALA 80 Ca 0.06 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1f8h n ALA 80 Cb 0.40 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.56 2.38 0.19 0.00 4.77 -1.13 -4.42 117.00 117.23 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 -1.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.32 1f8h n LEU 81 CO 0.36 0.66 0.39 -0.08 -1.33 0.00 0.00 177.39 177.39 1f8h h GLU 82 N -0.31 -0.51 0.00 3.23 4.57 -1.69 -3.46 114.58 116.41 1f8h h GLU 82 Ca -0.42 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1f8h h GLU 82 Cb 1.78 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 1f8h h GLU 82 CO -0.03 -0.21 0.00 1.17 -1.18 0.00 0.00 179.01 178.76 1f8h n LYS 83 N -5.15 0.00 -3.32 1.92 4.81 -1.20 -5.14 118.16 110.08 1f8h n LYS 83 Ca -0.09 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.38 1f8h n LYS 83 Cb 0.27 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.29 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 0.21 0.68 1.64 -6.30 -0.76 -4.94 118.70 109.23 1f8h s GLU 84 Ca 0.00 0.52 -0.13 0.00 -2.50 0.00 0.00 54.97 52.87 1f8h s GLU 84 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 34.13 34.45 1f8h s GLU 84 CO 0.00 -0.08 1.07 -1.25 0.02 0.00 0.00 175.26 175.01 1f8h s PRO 85 N 2.38 2.91 -0.14 4.30 0.04 -1.26 -3.78 135.00 139.44 1f8h s PRO 85 Ca -0.01 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.14 1f8h s PRO 85 Cb -0.05 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1f8h s PRO 85 CO -0.17 -1.13 -0.17 0.08 0.04 0.00 0.00 177.00 175.65 1f8h s VAL 86 N -2.78 2.60 0.05 -0.36 1.01 -1.26 -4.98 120.40 114.68 1f8h s VAL 86 Ca 0.61 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1f8h s VAL 86 Cb -0.16 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1f8h s VAL 86 CO 0.49 0.52 0.06 -0.81 0.00 0.00 0.00 175.10 175.36 1f8h n PRO 87 N 3.91 0.16 -0.06 2.72 -0.04 -1.26 -4.96 135.00 135.47 1f8h n PRO 87 Ca -0.19 -0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.19 1f8h n PRO 87 Cb 0.52 -0.06 0.07 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.13 2.52 -3.54 0.54 0.00 -1.26 -4.75 117.12 109.50 1f8h n MET 88 Ca 0.01 -1.93 -0.41 0.00 0.00 0.00 0.00 57.70 55.37 1f8h n MET 88 Cb 0.03 -1.21 -0.09 0.00 0.00 0.00 0.00 33.22 31.94 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 -1.56 5.79 -0.48 3.17 0.01 -1.26 -4.82 113.70 114.55 1f8h s SER 89 Ca 0.14 -1.38 -0.32 0.00 1.31 0.00 0.00 55.95 55.70 1f8h s SER 89 Cb 0.11 -2.05 -0.12 0.00 0.21 0.00 0.00 66.02 64.17 1f8h s SER 89 CO 0.03 -0.54 2.34 -0.11 0.41 0.00 0.00 173.24 175.36 1f8h n LEU 90 N 5.01 1.94 -4.77 2.44 0.00 -1.26 -4.88 117.00 115.47 1f8h n LEU 90 Ca -0.11 0.13 -0.37 0.00 0.00 0.00 0.00 56.01 55.66 1f8h n LEU 90 Cb 0.44 -1.30 -0.01 0.00 0.00 0.00 0.00 43.42 42.54 1f8h n LEU 90 CO 0.41 -0.94 0.82 -2.16 0.00 0.00 0.00 177.39 175.51 1f8h s PRO 91 N 7.22 3.67 0.00 1.96 0.04 -1.26 -4.91 135.00 141.71 1f8h s PRO 91 Ca 1.11 1.74 0.19 0.00 0.04 0.00 0.00 61.00 64.07 1f8h s PRO 91 Cb -0.72 -2.32 0.97 0.00 0.04 0.00 0.00 34.50 32.47 1f8h s PRO 91 CO 0.42 -0.62 1.59 -0.35 0.04 0.00 0.00 177.00 178.08 1f8h n PRO 92 N -0.67 0.28 -0.72 0.56 -0.04 -1.26 -2.53 135.00 130.63 1f8h n PRO 92 Ca 0.08 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.72 1f8h n PRO 92 Cb 0.49 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.28 3.54 -0.90 0.55 0.00 -1.26 -4.25 120.51 116.92 1f8h n ALA 93 Ca 0.09 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1f8h n ALA 93 Cb 0.15 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.13 0.01 -4.71 0.00 -0.00 -1.05 0.26 117.00 111.64 1f8h n LEU 94 Ca 0.26 -0.01 -0.42 0.00 -0.00 0.00 0.00 56.01 55.83 1f8h n LEU 94 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.47 1f8h n LEU 94 CO 0.26 0.00 0.79 -0.69 -0.00 0.00 0.00 177.39 177.75 1f8h s VAL 95 N -0.00 4.50 1.01 1.96 1.01 -1.23 -4.79 120.40 122.87 1f8h s VAL 95 Ca 0.00 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 1f8h s VAL 95 Cb 0.00 -4.15 0.20 0.00 0.00 0.00 0.00 36.38 32.43 1f8h s VAL 95 CO 0.00 0.12 1.20 -2.16 0.00 0.00 0.00 175.10 174.26 1f8h s PRO 96 N 1.21 0.30 1.13 2.72 0.04 -1.26 -4.99 135.00 134.15 1f8h s PRO 96 Ca 0.55 -0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.30 1f8h s PRO 96 Cb -0.24 -1.78 0.28 0.00 0.04 0.00 0.00 34.50 32.80 1f8h s PRO 96 CO 0.27 -2.69 0.99 -0.35 0.04 0.00 0.00 177.00 175.25 1f8h n PRO 97 N -4.03 -3.05 0.00 0.56 -0.04 -1.26 -3.78 135.00 123.40 1f8h n PRO 97 Ca 0.12 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1f8h n PRO 97 Cb 0.59 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.76 0.00 -0.51 3.54 2.88 -1.26 -4.42 113.62 109.10 1f8h n SER 98 Ca 0.14 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.74 1f8h n SER 98 Cb 0.54 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.00 1.65 0.00 -1.46 3.00 -1.25 -5.25 118.16 114.85 1f8h n LYS 99 Ca 0.00 -1.00 0.10 0.00 -0.00 0.00 0.00 58.31 57.41 1f8h n LYS 99 Cb 0.00 -1.26 0.08 0.00 0.00 0.00 0.00 35.03 33.85 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94