#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 3.31 0.60 6.00 -0.00 -1.26 -4.09 118.94 123.51 1f8h s TRP 7 Ca 0.00 0.85 0.28 0.00 -0.00 0.00 0.00 56.10 57.23 1f8h s TRP 7 Cb 0.00 -2.83 1.47 0.00 -0.00 0.00 0.00 33.47 32.11 1f8h s TRP 7 CO 0.00 -0.28 1.87 0.00 -0.00 0.00 0.00 176.95 178.54 1f8h h ALA 8 N 7.77 2.04 -2.67 5.86 0.00 0.37 -3.36 119.26 129.27 1f8h h ALA 8 Ca -0.28 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.96 1f8h h ALA 8 Cb 1.13 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 1f8h h ALA 8 CO 0.77 -0.67 -0.32 0.08 0.00 0.00 0.00 179.25 179.11 1f8h s VAL 9 N -4.51 5.20 0.57 0.00 1.01 -1.26 -5.04 120.40 116.36 1f8h s VAL 9 Ca -0.04 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1f8h s VAL 9 Cb 0.14 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.88 1f8h s VAL 9 CO 0.49 0.00 0.78 0.29 0.00 0.00 0.00 175.10 176.66 1f8h n LYS 10 N 5.31 0.14 0.04 2.72 5.02 -1.26 -4.80 118.16 125.32 1f8h n LYS 10 Ca -0.10 -2.24 -0.03 0.00 -2.02 0.00 0.00 58.31 53.92 1f8h n LYS 10 Cb 0.50 -0.48 0.21 0.00 -0.02 0.00 0.00 35.03 35.24 1f8h n LYS 10 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1f8h h PRO 11 N 0.00 0.42 -0.03 1.97 0.13 -1.96 0.51 132.00 133.04 1f8h h PRO 11 Ca -0.26 -0.17 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1f8h h PRO 11 Cb 0.99 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1f8h h PRO 11 CO 0.29 0.67 -0.78 1.05 -0.23 0.00 0.00 178.00 179.01 1f8h h GLU 12 N 0.37 0.25 0.16 0.86 4.11 -1.98 -0.28 114.58 118.06 1f8h h GLU 12 Ca 0.05 -0.23 -0.30 0.00 0.07 0.00 0.00 59.36 58.95 1f8h h GLU 12 Cb 0.70 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1f8h h GLU 12 CO 0.05 0.91 -1.42 -0.44 0.07 0.00 0.00 179.01 178.18 1f8h h ASP 13 N 0.16 0.54 1.13 3.06 3.32 -1.87 -3.14 116.42 119.62 1f8h h ASP 13 Ca -0.03 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1f8h h ASP 13 Cb 1.36 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1f8h h ASP 13 CO 0.12 1.50 0.00 0.50 -1.72 0.00 0.00 179.24 179.64 1f8h h LYS 14 N 0.09 0.00 0.06 3.56 3.64 0.02 -2.27 116.57 121.68 1f8h h LYS 14 Ca -0.21 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.89 1f8h h LYS 14 Cb 2.04 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.89 1f8h h LYS 14 CO 0.21 0.00 -1.13 0.00 -2.27 0.00 0.00 179.45 176.26 1f8h h ALA 15 N 2.36 0.05 0.00 5.00 0.00 -1.00 -1.07 119.26 124.59 1f8h h ALA 15 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1f8h h ALA 15 Cb 0.56 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1f8h h ALA 15 CO 0.00 0.67 -0.39 1.57 0.00 0.00 0.00 179.25 181.10 1f8h h LYS 16 N 0.30 0.00 -0.10 0.00 2.10 -1.48 -2.86 116.57 114.53 1f8h h LYS 16 Ca -0.16 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.30 1f8h h LYS 16 Cb 1.79 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.12 1f8h h LYS 16 CO 0.22 0.39 -0.73 1.88 -2.00 0.00 0.00 179.45 179.21 1f8h h TYR 17 N 0.00 0.66 0.00 0.07 -1.99 -1.33 -2.78 116.97 111.60 1f8h h TYR 17 Ca -0.00 -0.29 -0.03 0.00 2.00 0.00 0.00 58.73 60.41 1f8h h TYR 17 Cb 1.07 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.69 1f8h h TYR 17 CO 0.00 1.06 -0.12 0.22 -0.00 0.00 0.00 178.16 179.31 1f8h h ASP 18 N 0.34 0.00 0.93 3.88 1.82 -0.98 0.41 116.42 122.80 1f8h h ASP 18 Ca -0.03 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.40 1f8h h ASP 18 Cb 1.31 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.30 1f8h h ASP 18 CO 0.13 0.12 -0.98 0.00 -1.61 0.00 0.00 179.24 176.90 1f8h h ALA 19 N 1.88 0.39 0.13 -0.78 0.00 -1.29 0.14 119.26 119.73 1f8h h ALA 19 Ca -0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 54.91 53.74 1f8h h ALA 19 Cb 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1f8h h ALA 19 CO 0.02 1.18 -1.44 0.82 0.00 0.00 0.00 179.25 179.82 1f8h h ILE 20 N 0.01 1.27 -0.14 0.00 2.04 -1.13 -1.32 117.51 118.23 1f8h h ILE 20 Ca -0.02 -2.87 -0.18 0.00 1.00 0.00 0.00 64.86 62.78 1f8h h ILE 20 Cb 1.72 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 40.63 1f8h h ILE 20 CO 0.13 0.84 -0.66 0.15 0.00 0.00 0.00 178.15 178.61 1f8h h PHE 21 N 0.07 0.73 -0.01 1.37 3.04 -0.23 -2.81 116.94 119.11 1f8h h PHE 21 Ca -0.21 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.45 1f8h h PHE 21 Cb 2.01 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.40 1f8h h PHE 21 CO 0.07 1.06 -0.07 -3.47 -2.02 0.00 0.00 178.31 173.87 1f8h n ASP 22 N -3.91 0.91 -0.02 0.41 2.03 0.50 -3.36 116.55 113.12 1f8h n ASP 22 Ca -0.04 -1.07 0.13 0.00 0.52 0.00 0.00 54.79 54.32 1f8h n ASP 22 Cb 0.67 0.01 0.40 0.00 -0.72 0.00 0.00 41.12 41.47 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 -0.45 0.36 -0.00 1.67 7.64 -0.50 -3.41 113.62 118.93 1f8h n SER 23 Ca 0.17 -0.06 0.09 0.00 1.01 0.00 0.00 58.87 60.08 1f8h n SER 23 Cb 0.29 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.43 0.46 -0.97 -3.43 4.77 -1.21 -5.05 117.00 110.15 1f8h n LEU 24 Ca 0.07 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 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 0.12 0.00 -1.20 -1.33 0.00 0.00 177.39 175.29 1f8h n SER 25 N -1.75 -1.30 -4.80 -1.43 7.64 -1.22 -5.03 113.62 105.72 1f8h n SER 25 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1f8h n SER 25 Cb 0.37 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1f8h s PRO 26 N -0.20 3.47 -0.29 1.43 0.04 -1.26 -4.90 135.00 133.30 1f8h s PRO 26 Ca 0.00 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.30 1f8h s PRO 26 Cb 0.00 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.56 1f8h s PRO 26 CO 0.00 -0.69 -0.04 0.08 0.04 0.00 0.00 177.00 176.40 1f8h s VAL 27 N -2.35 2.11 -0.44 -0.36 1.01 -0.15 -4.62 120.40 115.61 1f8h s VAL 27 Ca 0.64 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1f8h s VAL 27 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1f8h s VAL 27 CO 0.32 -0.28 0.00 -3.20 0.00 0.00 0.00 175.10 171.95 1f8h n ASN 28 N 4.40 -5.15 -0.01 3.32 5.15 -1.26 -2.05 115.26 119.65 1f8h n ASN 28 Ca -0.07 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1f8h n ASN 28 Cb 0.42 -3.02 0.00 0.00 -0.53 0.00 0.00 39.78 36.66 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 -0.28 1.55 2.93 8.20 0.00 -1.26 -5.07 105.19 111.26 1f8h n GLY 29 Ca -0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.02 0.01 -0.08 1.61 0.08 -0.87 -3.57 117.98 113.14 1f8h s PHE 30 Ca 0.00 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.07 1f8h s PHE 30 Cb 0.00 -0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.41 1f8h s PHE 30 CO 0.00 -0.06 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.41 1f8h s LEU 31 N -0.27 2.75 0.29 -0.37 1.43 -0.53 -0.98 118.68 121.00 1f8h s LEU 31 Ca -0.03 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 1f8h s LEU 31 Cb -0.02 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.53 1f8h s LEU 31 CO -0.00 0.29 0.81 -0.94 0.23 0.00 0.00 176.35 176.74 1f8h s SER 32 N -0.39 7.07 0.59 2.29 1.04 -1.26 0.46 113.70 123.50 1f8h s SER 32 Ca 0.04 1.54 0.32 0.00 0.48 0.00 0.00 55.95 58.34 1f8h s SER 32 Cb -0.12 -2.47 1.29 0.00 0.10 0.00 0.00 66.02 64.82 1f8h s SER 32 CO 0.02 -0.08 1.58 1.23 0.98 0.00 0.00 173.24 176.98 1f8h h GLY 33 N 2.98 0.00 2.00 7.32 0.00 -1.85 2.50 103.07 116.03 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 0.00 176.54 175.19 1f8h h ASP 34 N 0.00 0.00 0.29 0.19 1.82 -1.89 1.62 116.42 118.45 1f8h h ASP 34 Ca 0.49 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.80 1f8h h ASP 34 Cb 2.46 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 42.42 1f8h h ASP 34 CO -0.01 0.20 -1.93 0.29 -1.61 0.00 0.00 179.24 176.18 1f8h n LYS 35 N -3.75 0.67 -0.01 0.28 5.02 0.83 -4.23 118.16 116.97 1f8h n LYS 35 Ca -0.02 0.24 -0.18 0.00 -2.02 0.00 0.00 58.31 56.33 1f8h n LYS 35 Cb 0.31 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.02 1.57 -0.98 -0.18 2.07 -0.98 -3.13 116.25 114.64 1f8h h VAL 36 Ca -0.38 -2.43 0.18 0.00 0.82 0.00 0.00 66.70 64.89 1f8h h VAL 36 Cb 2.05 3.20 -0.18 0.00 -1.52 0.00 0.00 31.29 34.84 1f8h h VAL 36 CO 0.06 0.65 -0.30 1.17 0.02 0.00 0.00 177.57 179.17 1f8h n LYS 37 N -4.33 -0.14 0.03 1.57 4.81 0.55 0.16 118.16 120.81 1f8h n LYS 37 Ca -0.14 1.53 -0.05 0.00 -0.87 0.00 0.00 58.31 58.78 1f8h n LYS 37 Cb 0.67 -2.27 0.17 0.00 0.02 0.00 0.00 35.03 33.62 1f8h n LYS 37 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1f8h h PRO 38 N 0.00 0.43 -0.22 1.64 0.13 -1.74 0.53 132.00 132.78 1f8h h PRO 38 Ca 0.42 -0.20 -0.03 0.00 -0.87 0.00 0.00 66.00 65.32 1f8h h PRO 38 Cb 0.67 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1f8h h PRO 38 CO -1.00 0.74 -0.01 0.28 -0.23 0.00 0.00 178.00 177.79 1f8h h VAL 39 N 0.37 1.15 0.00 1.56 2.07 0.16 -1.07 116.25 120.48 1f8h h VAL 39 Ca 0.04 -0.57 -0.23 0.00 0.82 0.00 0.00 66.70 66.77 1f8h h VAL 39 Cb 0.82 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1f8h h VAL 39 CO 0.07 0.19 -1.58 0.18 0.02 0.00 0.00 177.57 176.45 1f8h n LEU 40 N -4.35 0.83 0.03 2.57 4.77 0.14 -3.69 117.00 117.31 1f8h n LEU 40 Ca 0.00 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 1f8h n LEU 40 Cb 0.20 0.13 0.46 0.00 -2.33 0.00 0.00 43.42 41.87 1f8h n LEU 40 CO 0.37 0.26 0.85 0.18 -1.33 0.00 0.00 177.39 177.72 1f8h n LEU 41 N -2.94 0.20 -0.04 2.23 4.77 0.18 -2.38 117.00 119.02 1f8h n LEU 41 Ca -0.13 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1f8h n LEU 41 Cb 0.94 -0.49 0.26 0.00 -2.33 0.00 0.00 43.42 41.80 1f8h n LEU 41 CO 0.44 -0.20 0.47 -3.20 -1.33 0.00 0.00 177.39 173.57 1f8h n ASN 42 N -1.71 0.60 0.00 -1.43 5.15 -0.45 -3.78 115.26 113.65 1f8h n ASN 42 Ca 0.05 -0.38 0.06 0.00 -0.60 0.00 0.00 54.58 53.71 1f8h n ASN 42 Cb 0.27 0.26 0.35 0.00 -0.53 0.00 0.00 39.78 40.13 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 -1.36 0.00 0.00 1.20 3.41 -1.00 -4.82 113.62 111.04 1f8h n SER 43 Ca 0.06 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1f8h n SER 43 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.70 -0.97 -3.39 4.33 4.81 -1.25 -4.87 118.16 116.12 1f8h n LYS 44 Ca 0.09 0.24 -0.26 0.00 -0.87 0.00 0.00 58.31 57.51 1f8h n LYS 44 Cb 0.04 -4.03 -0.02 0.00 0.02 0.00 0.00 35.03 31.04 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 0.00 4.05 0.94 3.14 1.43 -1.26 -5.09 118.68 121.89 1f8h s LEU 45 Ca 0.00 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 1f8h s LEU 45 Cb 0.00 -3.38 0.16 0.00 0.03 0.00 0.00 46.19 42.99 1f8h s LEU 45 CO 0.00 -0.23 1.16 -2.16 0.23 0.00 0.00 176.35 175.36 1f8h s PRO 46 N -3.90 0.92 0.00 1.29 0.04 -1.26 -4.82 135.00 127.27 1f8h s PRO 46 Ca 0.41 0.14 0.16 0.00 0.04 0.00 0.00 61.00 61.76 1f8h s PRO 46 Cb -0.10 -1.83 0.85 0.00 0.04 0.00 0.00 34.50 33.46 1f8h s PRO 46 CO 0.33 -2.32 1.46 0.28 0.04 0.00 0.00 177.00 176.80 1f8h n VAL 47 N -3.82 0.44 0.10 -0.36 0.31 -1.26 -2.14 118.33 111.60 1f8h n VAL 47 Ca 0.09 0.11 -0.04 0.00 -0.01 0.00 0.00 64.34 64.49 1f8h n VAL 47 Cb 0.59 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 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 0.00 0.30 4.52 3.32 -1.96 0.84 116.42 123.44 1f8h h ASP 48 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1f8h h ASP 48 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1f8h h ASP 48 CO 0.00 0.82 -1.77 0.40 -1.72 0.00 0.00 179.24 176.97 1f8h h ILE 49 N 0.00 0.86 0.00 0.35 1.08 -1.79 -3.09 117.51 114.92 1f8h h ILE 49 Ca -0.01 -2.57 -0.14 0.00 -0.39 0.00 0.00 64.86 61.76 1f8h h ILE 49 Cb 1.49 2.60 -0.02 0.00 -3.07 0.00 0.00 36.82 37.81 1f8h h ILE 49 CO 0.11 0.79 -0.65 -0.07 -0.69 0.00 0.00 178.15 177.64 1f8h h LEU 50 N 0.06 0.00 -1.01 1.44 3.38 -1.55 1.09 115.31 118.73 1f8h h LEU 50 Ca -0.33 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1f8h h LEU 50 Cb 2.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 1f8h h LEU 50 CO 0.12 0.65 -0.20 1.23 0.09 0.00 0.00 178.44 180.33 1f8h h GLY 51 N 3.22 0.00 0.00 0.83 0.00 0.61 -1.60 103.07 106.13 1f8h h GLY 51 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 1f8h h GLY 51 CO 0.08 0.00 -2.35 -2.13 0.00 0.00 0.00 176.54 172.14 1f8h n ARG 52 N -3.31 0.78 -0.11 4.80 0.63 -1.09 -3.81 116.66 114.54 1f8h n ARG 52 Ca 0.01 0.03 -0.11 0.00 -0.92 0.00 0.00 57.85 56.86 1f8h n ARG 52 Cb 0.44 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.87 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 1.27 -0.11 5.15 2.07 0.13 -1.23 116.25 123.54 1f8h h VAL 53 Ca -0.53 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 1f8h h VAL 53 Cb 2.11 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1f8h h VAL 53 CO 0.00 0.49 -0.03 -0.25 0.02 0.00 0.00 177.57 177.81 1f8h h TRP 54 N 0.74 0.23 0.80 1.57 2.91 -1.49 -0.29 115.95 120.42 1f8h h TRP 54 Ca 0.08 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1f8h h TRP 54 Cb 0.87 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 1f8h h TRP 54 CO 0.05 0.52 -0.41 0.93 -1.03 0.00 0.00 178.44 178.50 1f8h h GLU 55 N -0.12 -1.07 0.00 2.65 4.39 -1.64 2.67 114.58 121.46 1f8h h GLU 55 Ca 0.03 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1f8h h GLU 55 Cb 0.44 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1f8h h GLU 55 CO 0.01 -0.71 0.05 -0.07 -1.16 0.00 0.00 179.01 177.13 1f8h h LEU 56 N -1.11 0.00 0.07 1.33 3.38 -1.28 -1.15 115.31 116.55 1f8h h LEU 56 Ca -0.11 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.59 1f8h h LEU 56 Cb 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1f8h h LEU 56 CO 0.16 0.00 -1.46 -1.28 0.09 0.00 0.00 178.44 175.95 1f8h h SER 57 N 0.00 0.24 -0.68 -0.43 0.87 0.89 -3.43 113.55 111.02 1f8h h SER 57 Ca 0.00 -0.76 -0.13 0.00 -1.23 0.00 0.00 61.79 59.67 1f8h h SER 57 Cb 0.10 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1f8h h SER 57 CO 0.00 1.62 0.46 0.47 -0.53 0.00 0.00 176.83 178.85 1f8h n ASP 58 N -4.01 1.92 0.17 6.23 9.92 0.88 -4.74 116.55 126.91 1f8h n ASP 58 Ca -0.29 -1.23 0.01 0.00 -0.53 0.00 0.00 54.79 52.76 1f8h n ASP 58 Cb 0.85 -1.64 0.32 0.00 -0.64 0.00 0.00 41.12 40.01 1f8h n ASP 58 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1f8h h ILE 59 N 7.70 1.29 0.00 0.53 1.08 -1.84 -3.18 117.51 123.09 1f8h h ILE 59 Ca -0.06 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1f8h h ILE 59 Cb 1.07 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.54 1f8h h ILE 59 CO 1.05 0.39 -1.09 -0.90 -0.69 0.00 0.00 178.15 176.92 1f8h n ASP 60 N -4.07 1.59 -3.27 1.72 5.68 -1.26 -5.01 116.55 111.93 1f8h n ASP 60 Ca -0.02 -0.33 -0.21 0.00 -0.50 0.00 0.00 54.79 53.74 1f8h n ASP 60 Cb 0.43 1.29 0.07 0.00 -1.14 0.00 0.00 41.12 41.78 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 -1.62 -2.53 0.99 2.11 8.25 -1.20 -4.88 115.22 116.33 1f8h n HIS 61 Ca -0.00 0.91 0.11 0.00 -0.26 0.00 0.00 57.72 58.48 1f8h n HIS 61 Cb 0.24 -4.66 0.32 0.00 1.12 0.00 0.00 29.99 27.02 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 -2.60 2.23 0.00 0.41 5.75 -1.26 -4.89 116.55 116.18 1f8h n ASP 62 Ca -0.02 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1f8h n ASP 62 Cb 0.57 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 1.25 0.79 3.37 6.12 0.00 -1.26 -5.06 105.19 110.40 1f8h n GLY 63 Ca 0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.56 1.15 -0.25 1.61 -1.94 -1.26 -2.49 119.30 114.56 1f8h s MET 64 Ca 0.00 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1f8h s MET 64 Cb 0.00 0.46 0.05 0.00 2.01 0.00 0.00 34.83 37.35 1f8h s MET 64 CO 0.00 -0.45 -0.12 -0.51 -0.01 0.00 0.00 175.02 173.93 1f8h s LEU 65 N -2.85 3.19 0.76 -0.03 1.43 0.17 -4.80 118.68 116.56 1f8h s LEU 65 Ca 0.07 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 51.85 1f8h s LEU 65 Cb 0.01 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.73 1f8h s LEU 65 CO -0.08 -0.15 1.10 -1.81 0.23 0.00 0.00 176.35 175.64 1f8h s ASP 66 N 1.16 4.53 0.34 2.29 1.11 -1.26 -1.46 116.67 123.38 1f8h s ASP 66 Ca -0.05 1.87 0.13 0.00 0.18 0.00 0.00 52.55 54.67 1f8h s ASP 66 Cb -0.18 -2.53 1.07 0.00 1.07 0.00 0.00 42.92 42.35 1f8h s ASP 66 CO -0.06 -2.02 1.60 0.08 1.18 0.00 0.00 175.17 175.95 1f8h h ARG 67 N -0.98 0.08 0.11 8.23 0.11 -1.95 2.23 114.38 122.21 1f8h h ARG 67 Ca -0.44 -0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.36 1f8h h ARG 67 Cb 1.23 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 1f8h h ARG 67 CO 0.51 0.05 -1.33 0.22 0.10 0.00 0.00 179.97 179.53 1f8h h ASP 68 N 0.08 0.37 -0.02 0.08 1.82 -1.90 -3.06 116.42 113.79 1f8h h ASP 68 Ca 0.73 -0.43 -0.01 0.00 -0.39 0.00 0.00 57.03 56.93 1f8h h ASP 68 Cb 1.75 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.64 1f8h h ASP 68 CO -0.77 1.35 -0.01 -0.08 -1.61 0.00 0.00 179.24 178.12 1f8h h GLU 69 N 0.06 0.04 0.00 0.28 4.81 0.57 -2.43 114.58 117.90 1f8h h GLU 69 Ca -0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1f8h h GLU 69 Cb 1.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.35 1f8h h GLU 69 CO 0.18 0.49 0.10 0.35 -0.73 0.00 0.00 179.01 179.41 1f8h h PHE 70 N -0.42 0.00 0.01 0.92 3.04 0.31 -1.48 116.94 119.33 1f8h h PHE 70 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1f8h h PHE 70 Cb 0.49 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1f8h h PHE 70 CO 0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 178.31 176.37 1f8h h ALA 71 N 1.80 -0.02 -0.24 2.41 0.00 -1.33 -2.86 119.26 119.03 1f8h h ALA 71 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1f8h h ALA 71 Cb 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1f8h h ALA 71 CO 0.00 -0.25 0.29 0.28 0.00 0.00 0.00 179.25 179.58 1f8h h VAL 72 N -0.55 0.37 0.00 0.00 2.07 -1.14 0.14 116.25 117.14 1f8h h VAL 72 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1f8h h VAL 72 Cb 0.53 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1f8h h VAL 72 CO 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.16 1f8h n ALA 73 N -2.28 3.31 0.03 1.67 0.00 -1.10 -3.24 120.51 118.89 1f8h n ALA 73 Ca 0.03 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1f8h n ALA 73 Cb 0.43 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.56 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 0.27 0.00 0.00 2.86 -0.51 -2.91 114.93 114.64 1f8h h MET 74 Ca 0.00 -0.47 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 1f8h h MET 74 Cb 0.52 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1f8h h MET 74 CO 0.00 1.22 -0.23 0.27 1.06 0.00 0.00 176.91 179.24 1f8h h PHE 75 N -0.28 0.00 0.00 -0.22 -0.00 -1.71 -0.94 116.94 113.79 1f8h h PHE 75 Ca -0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.67 1f8h h PHE 75 Cb 1.77 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.72 1f8h h PHE 75 CO 0.14 0.23 -0.13 -0.07 -0.00 0.00 0.00 178.31 178.47 1f8h h LEU 76 N 0.00 0.00 0.07 2.10 3.38 -1.63 -1.81 115.31 117.42 1f8h h LEU 76 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1f8h h LEU 76 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1f8h h LEU 76 CO 0.03 0.13 -1.80 0.52 0.09 0.00 0.00 178.44 177.41 1f8h n VAL 77 N -3.25 1.67 0.23 1.22 0.31 -0.91 -3.80 118.33 113.80 1f8h n VAL 77 Ca 0.01 -0.42 0.08 0.00 -0.01 0.00 0.00 64.34 64.00 1f8h n VAL 77 Cb 0.41 -1.83 0.58 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.36 0.00 0.00 3.52 0.05 -1.17 -1.31 116.97 117.70 1f8h h TYR 78 Ca -0.42 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.35 1f8h h TYR 78 Cb 1.75 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.49 1f8h h TYR 78 CO 0.07 0.19 -0.04 0.00 -1.05 0.00 0.00 178.16 177.33 1f8h n ALA 80 N -2.11 3.07 -0.00 0.00 0.00 -0.52 -0.59 120.51 120.35 1f8h n ALA 80 Ca 0.03 -0.31 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1f8h n ALA 80 Cb 0.48 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.13 2.63 0.06 0.00 4.77 -1.01 -4.35 117.00 117.97 1f8h n LEU 81 Ca 0.10 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1f8h n LEU 81 Cb 0.32 -1.08 -0.09 0.00 -2.33 0.00 0.00 43.42 40.25 1f8h n LEU 81 CO 0.29 0.85 0.56 -0.33 -1.33 0.00 0.00 177.39 177.43 1f8h h GLU 82 N 0.07 -0.18 0.00 3.23 5.08 -1.64 -3.47 114.58 117.67 1f8h h GLU 82 Ca -0.43 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1f8h h GLU 82 Cb 2.03 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1f8h h GLU 82 CO 0.08 0.22 0.00 1.17 -1.00 0.00 0.00 179.01 179.48 1f8h n LYS 83 N -4.97 0.00 -2.66 2.33 4.81 -1.20 -5.11 118.16 111.37 1f8h n LYS 83 Ca -0.09 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.92 1f8h n LYS 83 Cb 0.25 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.28 1f8h n LYS 83 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1f8h s GLU 84 N 0.00 3.84 0.00 1.64 0.41 0.24 -4.93 118.70 119.90 1f8h s GLU 84 Ca 0.00 0.71 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 1f8h s GLU 84 Cb 0.00 -3.84 0.00 0.00 -1.78 0.00 0.00 34.13 28.51 1f8h s GLU 84 CO 0.00 -1.15 0.00 -0.35 -0.49 0.00 0.00 175.26 173.27 1f8h n PRO 85 N 7.33 0.36 -4.20 0.39 -0.04 -1.26 -1.89 135.00 135.68 1f8h n PRO 85 Ca 0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1f8h n PRO 85 Cb 0.48 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.78 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 -0.29 0.75 0.89 0.52 1.01 -1.26 -4.66 120.40 117.36 1f8h s VAL 86 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1f8h s VAL 86 Cb 0.00 -0.75 0.20 0.00 0.00 0.00 0.00 36.38 35.83 1f8h s VAL 86 CO 0.00 0.28 1.22 -0.81 0.00 0.00 0.00 175.10 175.79 1f8h n PRO 87 N 4.22 -0.97 -0.31 2.72 -0.04 -1.26 -4.98 135.00 134.38 1f8h n PRO 87 Ca -0.21 -2.17 0.09 0.00 -0.04 0.00 0.00 63.50 61.17 1f8h n PRO 87 Cb 0.51 -1.16 0.26 0.00 -0.04 0.00 0.00 33.50 33.07 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 -3.51 2.84 -3.66 0.54 2.81 -1.26 -4.86 117.12 110.02 1f8h n MET 88 Ca 0.16 -2.46 -0.39 0.00 -1.81 0.00 0.00 57.70 53.21 1f8h n MET 88 Cb 0.57 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.49 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 -1.01 5.49 -0.60 7.83 0.01 -1.26 -4.89 113.70 119.27 1f8h s SER 89 Ca 0.40 -1.61 -0.36 0.00 1.31 0.00 0.00 55.95 55.69 1f8h s SER 89 Cb 0.21 -1.93 -0.17 0.00 0.21 0.00 0.00 66.02 64.34 1f8h s SER 89 CO 0.26 -0.52 2.35 0.18 0.41 0.00 0.00 173.24 175.92 1f8h n LEU 90 N 4.82 1.15 -4.77 2.44 4.77 -1.26 -4.82 117.00 119.33 1f8h n LEU 90 Ca -0.09 0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 55.86 1f8h n LEU 90 Cb 0.43 -1.07 -0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1f8h n LEU 90 CO 0.37 -0.82 0.87 -2.16 -1.33 0.00 0.00 177.39 174.31 1f8h s PRO 91 N 7.17 3.74 0.00 3.23 0.04 -1.26 -4.85 135.00 143.07 1f8h s PRO 91 Ca 1.20 1.90 0.14 0.00 0.04 0.00 0.00 61.00 64.28 1f8h s PRO 91 Cb -1.12 -2.47 0.66 0.00 0.04 0.00 0.00 34.50 31.60 1f8h s PRO 91 CO 0.52 -0.60 1.42 -0.35 0.04 0.00 0.00 177.00 178.04 1f8h n PRO 92 N -0.40 0.10 -0.94 0.56 -0.04 -1.26 -1.62 135.00 131.40 1f8h n PRO 92 Ca 0.07 0.21 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1f8h n PRO 92 Cb 0.47 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.40 4.43 0.00 0.55 0.00 -1.26 -4.30 120.51 118.53 1f8h n ALA 93 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.38 1f8h n ALA 93 Cb 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.11 0.00 -4.74 0.00 -0.00 -0.92 0.28 117.00 111.50 1f8h n LEU 94 Ca 0.38 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.98 1f8h n LEU 94 Cb 1.31 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.69 1f8h n LEU 94 CO 0.41 0.00 0.81 0.54 -0.00 0.00 0.00 177.39 179.15 1f8h s VAL 95 N -1.00 3.80 0.65 1.96 0.11 -0.64 -4.67 120.40 120.60 1f8h s VAL 95 Ca 0.00 1.55 -0.13 0.00 -2.93 0.00 0.00 61.98 60.46 1f8h s VAL 95 Cb 0.00 -3.99 -0.01 0.00 -1.53 0.00 0.00 36.38 30.85 1f8h s VAL 95 CO 0.00 0.26 1.06 -2.16 -3.33 0.00 0.00 175.10 170.93 1f8h s PRO 96 N -0.36 3.10 0.00 1.54 0.04 -1.26 -4.90 135.00 133.16 1f8h s PRO 96 Ca 0.50 1.10 0.18 0.00 0.04 0.00 0.00 61.00 62.82 1f8h s PRO 96 Cb -0.30 -2.01 1.01 0.00 0.04 0.00 0.00 34.50 33.24 1f8h s PRO 96 CO 0.35 -0.98 1.50 -0.35 0.04 0.00 0.00 177.00 177.56 1f8h n PRO 97 N -2.57 0.45 0.26 0.56 -0.04 -1.26 -2.81 135.00 129.58 1f8h n PRO 97 Ca 0.08 0.05 0.16 0.00 -0.04 0.00 0.00 63.50 63.75 1f8h n PRO 97 Cb 0.53 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.14 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 -0.62 3.54 0.87 -2.03 -1.95 113.55 113.36 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 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 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 -2.98 2.63 0.00 2.24 4.81 -1.12 -5.21 118.16 118.53 1f8h n LYS 99 Ca 0.01 -2.31 0.00 0.00 -0.87 0.00 0.00 58.31 55.14 1f8h n LYS 99 Cb 0.30 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11