#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 3.53 0.58 0.54 -0.00 -1.26 -4.74 118.94 117.58 1f8h s TRP 7 Ca 0.00 1.09 0.31 0.00 -0.00 0.00 0.00 56.10 57.50 1f8h s TRP 7 Cb 0.00 -2.73 1.41 0.00 -0.00 0.00 0.00 33.47 32.15 1f8h s TRP 7 CO 0.00 0.07 1.77 0.00 -0.00 0.00 0.00 176.95 178.79 1f8h h ALA 8 N 6.86 2.58 -2.47 5.86 0.00 -0.09 -3.40 119.26 128.60 1f8h h ALA 8 Ca -0.39 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 53.97 1f8h h ALA 8 Cb 1.18 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1f8h h ALA 8 CO 0.76 -1.10 0.06 0.08 0.00 0.00 0.00 179.25 179.05 1f8h s VAL 9 N -4.69 4.67 0.44 0.00 1.01 -1.26 -5.08 120.40 115.49 1f8h s VAL 9 Ca -0.04 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.08 1f8h s VAL 9 Cb 0.17 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1f8h s VAL 9 CO 0.61 0.08 0.59 -0.54 0.00 0.00 0.00 175.10 175.84 1f8h s LYS 10 N -2.33 2.80 0.28 2.72 1.02 -1.26 -4.95 119.74 118.01 1f8h s LYS 10 Ca 0.46 -1.18 0.02 0.00 0.02 0.00 0.00 55.97 55.28 1f8h s LYS 10 Cb -0.14 -2.73 0.41 0.00 -0.52 0.00 0.00 37.83 34.85 1f8h s LYS 10 CO 0.20 -0.32 1.74 -1.00 -0.92 0.00 0.00 175.35 175.04 1f8h h PRO 11 N 0.57 0.55 0.00 -1.68 0.13 -1.98 -0.69 132.00 128.90 1f8h h PRO 11 Ca -0.40 -0.19 -0.07 0.00 -0.87 0.00 0.00 66.00 64.47 1f8h h PRO 11 Cb 1.28 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1f8h h PRO 11 CO 0.46 0.71 -0.34 1.05 -0.23 0.00 0.00 178.00 179.65 1f8h h GLU 12 N 0.50 0.00 0.20 0.86 -0.00 -1.99 -2.10 114.58 112.04 1f8h h GLU 12 Ca 0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 59.16 1f8h h GLU 12 Cb 0.60 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 29.38 1f8h h GLU 12 CO 0.04 0.34 -1.23 -0.44 -0.00 0.00 0.00 179.01 177.72 1f8h h ASP 13 N 0.00 0.73 0.51 3.06 3.32 -1.78 -3.05 116.42 119.22 1f8h h ASP 13 Ca -0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1f8h h ASP 13 Cb 0.82 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1f8h h ASP 13 CO 0.04 1.59 0.00 0.50 -1.72 0.00 0.00 179.24 179.66 1f8h h LYS 14 N -0.00 0.00 0.01 3.56 1.63 -1.02 0.38 116.57 121.13 1f8h h LYS 14 Ca -0.21 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.34 1f8h h LYS 14 Cb 1.96 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.60 1f8h h LYS 14 CO 0.23 0.00 -1.01 0.00 -3.45 0.00 0.00 179.45 175.22 1f8h h ALA 15 N 2.12 0.23 0.23 5.00 0.00 -1.27 0.22 119.26 125.79 1f8h h ALA 15 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 54.91 53.86 1f8h h ALA 15 Cb 0.26 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1f8h h ALA 15 CO 0.00 0.75 -1.53 0.87 0.00 0.00 0.00 179.25 179.34 1f8h h LYS 16 N 0.31 0.49 0.00 0.00 1.57 -1.26 -1.86 116.57 115.81 1f8h h LYS 16 Ca -0.11 -0.83 -0.01 0.00 -1.87 0.00 0.00 60.65 57.82 1f8h h LYS 16 Cb 1.66 0.31 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 1f8h h LYS 16 CO 0.19 1.40 -0.06 1.88 -0.57 0.00 0.00 179.45 182.29 1f8h h TYR 17 N 0.10 0.00 0.00 -1.35 -1.99 -0.32 0.69 116.97 114.10 1f8h h TYR 17 Ca -0.28 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.33 1f8h h TYR 17 Cb 2.12 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.83 1f8h h TYR 17 CO 0.13 0.06 -0.95 0.22 -0.00 0.00 0.00 178.16 177.61 1f8h h ASP 18 N 0.00 0.00 0.82 3.88 3.58 -0.42 -1.17 116.42 123.11 1f8h h ASP 18 Ca -0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 1f8h h ASP 18 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1f8h h ASP 18 CO 0.01 0.48 -1.12 0.00 -2.88 0.00 0.00 179.24 175.73 1f8h h ALA 19 N 1.52 0.23 0.11 -0.78 0.00 -0.14 -0.01 119.26 120.18 1f8h h ALA 19 Ca -0.08 -0.90 -0.27 0.00 0.00 0.00 0.00 54.91 53.67 1f8h h ALA 19 Cb 1.43 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1f8h h ALA 19 CO 0.05 1.11 -1.18 0.82 0.00 0.00 0.00 179.25 180.05 1f8h h ILE 20 N 0.04 1.47 -0.36 0.00 2.04 -1.02 -0.39 117.51 119.29 1f8h h ILE 20 Ca -0.07 -2.92 -0.16 0.00 1.00 0.00 0.00 64.86 62.71 1f8h h ILE 20 Cb 1.86 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 40.77 1f8h h ILE 20 CO 0.17 0.86 -0.42 0.15 0.00 0.00 0.00 178.15 178.90 1f8h h PHE 21 N 0.11 1.09 -0.04 1.37 3.04 -1.21 -2.70 116.94 118.59 1f8h h PHE 21 Ca -0.13 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.48 1f8h h PHE 21 Cb 1.89 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 40.17 1f8h h PHE 21 CO 0.06 1.16 0.00 -3.47 -2.02 0.00 0.00 178.31 174.05 1f8h n ASP 22 N -4.04 1.17 -0.13 0.41 2.03 -0.02 -3.41 116.55 112.55 1f8h n ASP 22 Ca -0.03 -1.45 0.13 0.00 0.52 0.00 0.00 54.79 53.96 1f8h n ASP 22 Cb 0.56 -0.02 0.36 0.00 -0.72 0.00 0.00 41.12 41.29 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 -0.07 0.75 -0.00 1.67 2.88 -0.16 -3.63 113.62 115.06 1f8h n SER 23 Ca 0.19 -0.58 0.07 0.00 -1.33 0.00 0.00 58.87 57.22 1f8h n SER 23 Cb 0.29 0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.02 0.44 -1.02 2.46 4.77 -1.22 -5.05 117.00 116.36 1f8h n LEU 24 Ca 0.10 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1f8h n LEU 24 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1f8h n LEU 24 CO 0.29 0.11 0.00 -1.20 -1.33 0.00 0.00 177.39 175.26 1f8h n SER 25 N -1.52 -1.36 -4.79 -1.43 7.64 -1.24 -5.04 113.62 105.88 1f8h n SER 25 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.55 1f8h n SER 25 Cb 0.26 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.11 3.56 -0.24 1.43 0.04 -1.26 -4.89 135.00 133.54 1f8h s PRO 26 Ca 0.00 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1f8h s PRO 26 Cb 0.00 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1f8h s PRO 26 CO 0.00 -0.63 -0.09 0.08 0.04 0.00 0.00 177.00 176.40 1f8h s VAL 27 N -2.07 2.65 -1.48 -0.36 1.01 0.42 -4.54 120.40 116.03 1f8h s VAL 27 Ca 0.67 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1f8h s VAL 27 Cb -0.18 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1f8h s VAL 27 CO 0.26 0.23 0.00 -3.20 0.00 0.00 0.00 175.10 172.39 1f8h n ASN 28 N 4.63 -4.72 -0.16 3.32 5.15 -1.26 -0.93 115.26 121.30 1f8h n ASN 28 Ca -0.17 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1f8h n ASN 28 Cb 0.47 -3.93 0.00 0.00 -0.53 0.00 0.00 39.78 35.79 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 -0.08 1.06 3.23 8.20 0.00 -1.26 -5.09 105.19 111.25 1f8h n GLY 29 Ca -0.14 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.32 -0.41 -0.00 1.61 0.08 -0.10 -3.72 117.98 113.12 1f8h s PHE 30 Ca 0.00 0.97 -0.00 0.00 0.12 0.00 0.00 56.93 58.02 1f8h s PHE 30 Cb 0.00 0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.55 1f8h s PHE 30 CO 0.00 -0.21 0.07 -0.51 -0.10 0.00 0.00 175.22 174.47 1f8h s LEU 31 N 0.41 3.85 0.06 -0.37 1.43 -0.31 -0.44 118.68 123.30 1f8h s LEU 31 Ca -0.02 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1f8h s LEU 31 Cb -0.04 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1f8h s LEU 31 CO -0.02 0.27 0.34 -0.94 0.23 0.00 0.00 176.35 176.23 1f8h s SER 32 N -1.71 6.55 0.58 2.29 1.04 -1.26 0.26 113.70 121.45 1f8h s SER 32 Ca 0.22 0.66 0.38 0.00 0.48 0.00 0.00 55.95 57.69 1f8h s SER 32 Cb -0.12 -2.12 1.34 0.00 0.10 0.00 0.00 66.02 65.21 1f8h s SER 32 CO 0.13 0.19 1.47 1.23 0.98 0.00 0.00 173.24 177.25 1f8h h GLY 33 N 3.71 0.00 2.00 7.32 0.00 -1.74 2.39 103.07 116.75 1f8h h GLY 33 Ca -0.49 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1f8h h GLY 33 CO 0.67 0.00 -0.12 -0.55 0.00 0.00 0.00 176.54 176.54 1f8h h ASP 34 N 0.00 0.00 0.13 0.19 3.32 -1.91 1.04 116.42 119.19 1f8h h ASP 34 Ca 0.68 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.38 1f8h h ASP 34 Cb 3.21 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 42.70 1f8h h ASP 34 CO -0.01 0.12 -2.20 0.29 -1.72 0.00 0.00 179.24 175.73 1f8h n LYS 35 N -3.83 0.67 0.07 3.56 5.02 0.80 -4.38 118.16 120.07 1f8h n LYS 35 Ca -0.02 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1f8h n LYS 35 Cb 0.22 -1.60 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.00 1.45 -0.82 -0.18 2.07 -1.05 -3.15 116.25 114.57 1f8h h VAL 36 Ca -0.48 -2.53 0.16 0.00 0.82 0.00 0.00 66.70 64.66 1f8h h VAL 36 Cb 2.13 3.11 -0.15 0.00 -1.52 0.00 0.00 31.29 34.85 1f8h h VAL 36 CO 0.03 0.73 -0.25 0.50 0.02 0.00 0.00 177.57 178.60 1f8h h LYS 37 N -0.22 -0.02 -0.11 1.57 3.64 0.91 1.07 116.57 123.41 1f8h h LYS 37 Ca -0.16 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 1f8h h LYS 37 Cb 1.74 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1f8h h LYS 37 CO 0.18 -0.02 -0.30 -1.00 -2.27 0.00 0.00 179.45 176.05 1f8h h PRO 38 N -0.02 0.21 0.00 1.90 0.13 -1.76 0.33 132.00 132.79 1f8h h PRO 38 Ca 0.37 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 65.34 1f8h h PRO 38 Cb 0.60 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1f8h h PRO 38 CO -0.85 0.50 -0.41 0.28 -0.23 0.00 0.00 178.00 177.29 1f8h h VAL 39 N 0.19 1.29 0.02 1.56 2.07 0.96 -2.56 116.25 119.78 1f8h h VAL 39 Ca 0.03 -1.41 -0.32 0.00 0.82 0.00 0.00 66.70 65.82 1f8h h VAL 39 Cb 0.63 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1f8h h VAL 39 CO 0.05 0.40 -1.89 0.18 0.02 0.00 0.00 177.57 176.32 1f8h n LEU 40 N -4.04 1.18 0.11 2.57 4.77 0.15 -3.84 117.00 117.89 1f8h n LEU 40 Ca -0.02 0.30 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1f8h n LEU 40 Cb 0.44 -0.08 0.46 0.00 -2.33 0.00 0.00 43.42 41.92 1f8h n LEU 40 CO 0.39 0.52 0.84 0.18 -1.33 0.00 0.00 177.39 177.99 1f8h n LEU 41 N -3.10 0.58 -0.34 2.23 4.77 0.11 -1.96 117.00 119.30 1f8h n LEU 41 Ca -0.23 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 1f8h n LEU 41 Cb 1.06 -0.55 0.42 0.00 -2.33 0.00 0.00 43.42 42.02 1f8h n LEU 41 CO 0.44 -0.50 0.72 0.59 -1.33 0.00 0.00 177.39 177.31 1f8h n ASN 42 N -2.14 1.22 -0.67 -1.43 3.02 -0.97 -3.91 115.26 110.38 1f8h n ASN 42 Ca 0.02 -1.12 0.02 0.00 -0.03 0.00 0.00 54.58 53.48 1f8h n ASN 42 Cb 0.23 0.09 0.09 0.00 -0.61 0.00 0.00 39.78 39.58 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f8h n SER 43 N -0.34 1.74 -0.26 6.41 7.64 -0.83 -4.81 113.62 123.17 1f8h n SER 43 Ca 0.14 -2.15 -0.03 0.00 1.01 0.00 0.00 58.87 57.84 1f8h n SER 43 Cb 0.35 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1f8h n SER 43 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1f8h n LYS 44 N 0.10 -1.73 -3.96 1.43 4.76 -1.25 -4.76 118.16 112.75 1f8h n LYS 44 Ca 0.06 0.58 -0.28 0.00 -2.87 0.00 0.00 58.31 55.80 1f8h n LYS 44 Cb 0.37 -4.93 -0.04 0.00 -1.84 0.00 0.00 35.03 28.60 1f8h n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1f8h s LEU 45 N -0.77 4.27 0.96 -0.35 1.43 -1.26 -5.07 118.68 117.89 1f8h s LEU 45 Ca 0.00 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 1f8h s LEU 45 Cb 0.00 -2.86 0.17 0.00 0.03 0.00 0.00 46.19 43.53 1f8h s LEU 45 CO 0.00 0.10 1.20 -2.16 0.23 0.00 0.00 176.35 175.71 1f8h s PRO 46 N -2.96 0.75 0.00 1.29 0.04 -1.26 -4.76 135.00 128.10 1f8h s PRO 46 Ca 0.34 -0.01 0.20 0.00 0.04 0.00 0.00 61.00 61.57 1f8h s PRO 46 Cb -0.12 -1.82 1.08 0.00 0.04 0.00 0.00 34.50 33.68 1f8h s PRO 46 CO 0.28 -2.40 1.62 0.28 0.04 0.00 0.00 177.00 176.82 1f8h n VAL 47 N -3.85 0.27 0.08 -0.36 0.31 -1.26 -2.33 118.33 111.18 1f8h n VAL 47 Ca 0.10 0.07 -0.05 0.00 -0.01 0.00 0.00 64.34 64.45 1f8h n VAL 47 Cb 0.60 -0.74 -0.05 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.19 4.52 3.32 -1.97 0.61 116.42 123.09 1f8h h ASP 48 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1f8h h ASP 48 Cb 0.13 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1f8h h ASP 48 CO 0.00 0.89 -1.77 0.40 -1.72 0.00 0.00 179.24 177.04 1f8h h ILE 49 N 0.00 0.91 0.00 0.35 1.08 -1.82 -3.10 117.51 114.92 1f8h h ILE 49 Ca -0.01 -2.50 -0.14 0.00 -0.39 0.00 0.00 64.86 61.81 1f8h h ILE 49 Cb 1.60 2.74 -0.02 0.00 -3.07 0.00 0.00 36.82 38.07 1f8h h ILE 49 CO 0.12 0.86 -0.69 -0.07 -0.69 0.00 0.00 178.15 177.68 1f8h h LEU 50 N 0.10 0.00 -1.50 1.44 3.38 -1.57 2.09 115.31 119.25 1f8h h LEU 50 Ca -0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1f8h h LEU 50 Cb 2.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 1f8h h LEU 50 CO 0.17 0.69 -0.23 1.23 0.09 0.00 0.00 178.44 180.39 1f8h h GLY 51 N 2.35 0.00 0.00 0.83 0.00 0.14 -0.75 103.07 105.64 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 0.09 0.00 -2.35 0.54 0.00 0.00 0.00 176.54 174.82 1f8h n ARG 52 N -3.71 0.74 -0.24 4.80 1.74 -0.96 -3.80 116.66 115.23 1f8h n ARG 52 Ca -0.01 0.07 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 1f8h n ARG 52 Cb 0.34 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1f8h n ARG 52 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1f8h h VAL 53 N 0.00 1.26 0.20 1.55 2.07 0.35 0.53 116.25 122.21 1f8h h VAL 53 Ca -0.53 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1f8h h VAL 53 Cb 2.01 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1f8h h VAL 53 CO -0.03 0.37 -0.10 -0.25 0.02 0.00 0.00 177.57 177.59 1f8h h TRP 54 N 1.05 -0.25 0.51 1.57 2.91 -1.34 0.19 115.95 120.59 1f8h h TRP 54 Ca 0.22 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 1f8h h TRP 54 Cb 0.38 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 1f8h h TRP 54 CO 0.03 0.05 -0.45 0.93 -1.03 0.00 0.00 178.44 177.97 1f8h h GLU 55 N -0.56 -0.91 0.00 2.65 4.39 -1.62 2.60 114.58 121.13 1f8h h GLU 55 Ca -0.03 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1f8h h GLU 55 Cb 0.42 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1f8h h GLU 55 CO 0.05 -0.61 0.19 -0.07 -1.16 0.00 0.00 179.01 177.40 1f8h h LEU 56 N -0.95 0.00 0.06 1.33 3.38 -0.93 0.52 115.31 118.72 1f8h h LEU 56 Ca -0.06 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.57 1f8h h LEU 56 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1f8h h LEU 56 CO -0.03 0.00 -1.97 -0.24 0.09 0.00 0.00 178.44 176.29 1f8h n SER 57 N -2.85 1.51 -4.55 -0.43 2.88 0.63 -4.75 113.62 106.05 1f8h n SER 57 Ca -0.02 0.23 -0.30 0.00 -1.33 0.00 0.00 58.87 57.45 1f8h n SER 57 Cb 0.24 -0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 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 -6.53 4.76 0.33 -3.46 -1.08 0.84 -4.69 116.67 106.83 1f8h s ASP 58 Ca -0.16 0.21 0.08 0.00 -0.52 0.00 0.00 52.55 52.15 1f8h s ASP 58 Cb 0.07 -2.53 0.56 0.00 -1.46 0.00 0.00 42.92 39.56 1f8h s ASP 58 CO 0.78 -2.89 1.77 0.40 0.52 0.00 0.00 175.17 175.74 1f8h h ILE 59 N 7.34 1.28 0.00 4.11 1.08 -1.85 -3.24 117.51 126.21 1f8h h ILE 59 Ca -0.11 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 1f8h h ILE 59 Cb 1.12 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1f8h h ILE 59 CO 1.16 0.40 -0.76 -0.90 -0.69 0.00 0.00 178.15 177.36 1f8h n ASP 60 N -4.09 1.37 -3.17 1.72 5.68 -1.26 -5.00 116.55 111.79 1f8h n ASP 60 Ca -0.01 -0.44 -0.18 0.00 -0.50 0.00 0.00 54.79 53.65 1f8h n ASP 60 Cb 0.42 1.14 0.07 0.00 -1.14 0.00 0.00 41.12 41.62 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 -1.42 -2.25 0.55 2.11 8.25 -1.23 -4.89 115.22 116.35 1f8h n HIS 61 Ca 0.00 0.86 0.11 0.00 -0.26 0.00 0.00 57.72 58.43 1f8h n HIS 61 Cb 0.16 -4.61 0.27 0.00 1.12 0.00 0.00 29.99 26.93 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 -2.64 2.87 0.00 0.41 5.68 -1.26 -4.89 116.55 116.72 1f8h n ASP 62 Ca -0.11 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1f8h n ASP 62 Cb 0.60 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 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 1.38 0.62 3.27 6.12 0.00 -1.26 -5.05 105.19 110.27 1f8h n GLY 63 Ca 0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.95 0.98 -0.28 1.61 -1.94 -1.25 -1.97 119.30 114.50 1f8h s MET 64 Ca 0.00 -0.97 0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1f8h s MET 64 Cb 0.00 0.38 0.08 0.00 2.01 0.00 0.00 34.83 37.29 1f8h s MET 64 CO 0.00 -0.34 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.13 1f8h s LEU 65 N -2.88 3.59 0.75 -0.03 1.43 0.72 -4.81 118.68 117.45 1f8h s LEU 65 Ca 0.08 -1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 51.46 1f8h s LEU 65 Cb 0.04 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.86 1f8h s LEU 65 CO -0.08 -0.28 1.08 1.51 0.23 0.00 0.00 176.35 178.81 1f8h s ASP 66 N 1.14 4.76 0.41 2.29 1.47 -1.26 -1.16 116.67 124.31 1f8h s ASP 66 Ca -0.01 1.75 0.28 0.00 1.18 0.00 0.00 52.55 55.76 1f8h s ASP 66 Cb -0.19 -2.51 1.42 0.00 -0.34 0.00 0.00 42.92 41.30 1f8h s ASP 66 CO -0.08 -1.86 1.55 -2.11 0.68 0.00 0.00 175.17 173.35 1f8h n ARG 67 N -3.41 -0.05 0.04 2.11 1.85 -1.24 0.26 116.66 116.22 1f8h n ARG 67 Ca 0.09 1.29 -0.07 0.00 -1.00 0.00 0.00 57.85 58.15 1f8h n ARG 67 Cb 0.53 -2.45 -0.12 0.00 -1.05 0.00 0.00 32.46 29.37 1f8h n ARG 67 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1f8h h ASP 68 N 0.00 0.00 -0.00 2.89 3.32 -1.90 -2.98 116.42 117.75 1f8h h ASP 68 Ca 0.86 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.85 1f8h h ASP 68 Cb 2.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.13 1f8h h ASP 68 CO -0.58 0.99 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.64 1f8h h GLU 69 N 0.00 0.15 0.00 3.56 4.81 0.33 -2.99 114.58 120.44 1f8h h GLU 69 Ca -0.09 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1f8h h GLU 69 Cb 1.84 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.26 1f8h h GLU 69 CO 0.11 0.91 0.00 0.35 -0.73 0.00 0.00 179.01 179.65 1f8h h PHE 70 N -0.55 0.00 0.00 0.92 3.04 0.19 -2.36 116.94 118.19 1f8h h PHE 70 Ca -0.03 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1f8h h PHE 70 Cb 0.98 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.49 1f8h h PHE 70 CO 0.18 0.00 -0.00 0.00 -2.02 0.00 0.00 178.31 176.47 1f8h h ALA 71 N 2.03 -0.00 -0.17 2.41 0.00 -1.38 -2.40 119.26 119.75 1f8h h ALA 71 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1f8h h ALA 71 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1f8h h ALA 71 CO 0.00 -0.07 0.14 0.28 0.00 0.00 0.00 179.25 179.59 1f8h h VAL 72 N -0.86 0.79 -0.01 0.00 2.07 -1.35 0.75 116.25 117.63 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 0.84 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1f8h h VAL 72 CO 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.35 1f8h n ALA 73 N -2.51 3.04 -0.04 1.67 0.00 -1.11 -3.23 120.51 118.34 1f8h n ALA 73 Ca 0.01 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 1f8h n ALA 73 Cb 0.27 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 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 1.26 0.11 0.00 0.00 2.86 -0.31 -2.85 114.93 115.99 1f8h h MET 74 Ca 0.00 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.32 1f8h h MET 74 Cb 0.50 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1f8h h MET 74 CO 0.00 1.09 -0.67 0.27 1.06 0.00 0.00 176.91 178.66 1f8h h PHE 75 N -0.73 0.00 0.00 -0.22 -5.15 -1.70 0.10 116.94 109.23 1f8h h PHE 75 Ca -0.19 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.56 1f8h h PHE 75 Cb 1.36 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.53 1f8h h PHE 75 CO 0.18 0.67 -0.10 -0.07 -2.00 0.00 0.00 178.31 177.00 1f8h h LEU 76 N 0.00 0.00 0.06 2.10 3.38 -1.66 0.19 115.31 119.38 1f8h h LEU 76 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1f8h h LEU 76 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1f8h h LEU 76 CO 0.09 0.10 -1.78 0.52 0.09 0.00 0.00 178.44 177.45 1f8h n VAL 77 N -3.37 1.65 0.21 1.22 0.31 -0.90 -3.48 118.33 113.97 1f8h n VAL 77 Ca -0.01 -0.38 0.08 0.00 -0.01 0.00 0.00 64.34 64.02 1f8h n VAL 77 Cb 0.28 -1.85 0.42 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.45 0.00 0.00 3.52 0.05 -0.85 -2.68 116.97 116.57 1f8h h TYR 78 Ca -0.43 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.32 1f8h h TYR 78 Cb 1.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.44 1f8h h TYR 78 CO 0.07 0.30 -0.37 0.00 -1.05 0.00 0.00 178.16 177.11 1f8h n ALA 80 N -2.16 2.17 -0.08 0.00 0.00 -1.02 0.12 120.51 119.54 1f8h n ALA 80 Ca 0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1f8h n ALA 80 Cb 0.60 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.68 2.09 0.00 0.00 4.77 -1.15 -4.72 117.00 116.32 1f8h n LEU 81 Ca 0.06 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1f8h n LEU 81 Cb 0.32 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1f8h n LEU 81 CO 0.25 0.46 0.05 1.21 -1.33 0.00 0.00 177.39 178.03 1f8h n GLU 82 N -4.15 2.67 0.00 3.23 4.07 -1.18 -4.99 120.64 120.29 1f8h n GLU 82 Ca -0.35 -0.10 0.00 0.00 -0.06 0.00 0.00 57.16 56.66 1f8h n GLU 82 Cb 0.80 -0.46 0.00 0.00 -0.06 0.00 0.00 31.44 31.72 1f8h n GLU 82 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1f8h n LYS 83 N -0.41 0.00 -4.23 5.31 4.81 0.20 -5.04 118.16 118.81 1f8h n LYS 83 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1f8h n LYS 83 Cb 0.03 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.00 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 0.08 1.53 0.00 1.64 8.01 0.32 -4.93 118.70 125.35 1f8h s GLU 84 Ca 0.00 -1.81 0.00 0.00 0.01 0.00 0.00 54.97 53.17 1f8h s GLU 84 Cb 0.00 0.32 0.00 0.00 -4.31 0.00 0.00 34.13 30.14 1f8h s GLU 84 CO 0.00 -0.55 0.00 -0.35 0.01 0.00 0.00 175.26 174.37 1f8h n PRO 85 N -0.46 0.38 -3.76 0.39 -0.04 -1.26 -3.04 135.00 127.21 1f8h n PRO 85 Ca 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1f8h n PRO 85 Cb 0.64 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.04 0.00 0.52 1.01 -1.26 -4.75 120.40 115.58 1f8h s VAL 86 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1f8h s VAL 86 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1f8h s VAL 86 CO 0.00 0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.35 1f8h n PRO 87 N 4.02 1.38 0.00 2.72 -0.04 -1.26 -4.97 135.00 136.85 1f8h n PRO 87 Ca -0.24 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.23 1f8h n PRO 87 Cb 0.53 0.00 0.01 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 -0.38 -0.09 -3.52 0.54 0.00 -1.26 -4.74 117.12 107.68 1f8h n MET 88 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 57.70 56.71 1f8h n MET 88 Cb 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 33.22 32.14 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 -0.27 5.80 -0.29 3.17 0.01 -1.26 -4.73 113.70 116.12 1f8h s SER 89 Ca 0.02 -1.98 -0.28 0.00 1.31 0.00 0.00 55.95 55.03 1f8h s SER 89 Cb 0.02 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1f8h s SER 89 CO 0.03 -0.70 2.12 -0.22 0.41 0.00 0.00 173.24 174.88 1f8h s LEU 90 N 1.27 3.45 1.05 2.44 2.96 -1.26 -4.92 118.68 123.66 1f8h s LEU 90 Ca 0.06 1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 55.45 1f8h s LEU 90 Cb -0.26 -3.38 0.22 0.00 0.50 0.00 0.00 46.19 43.27 1f8h s LEU 90 CO -0.01 -2.01 1.07 -2.16 -1.32 0.00 0.00 176.35 171.92 1f8h s PRO 91 N 6.39 0.02 0.30 0.98 0.04 -1.26 -4.91 135.00 136.57 1f8h s PRO 91 Ca 0.94 0.84 0.25 0.00 0.04 0.00 0.00 61.00 63.06 1f8h s PRO 91 Cb -0.28 -1.66 1.04 0.00 0.04 0.00 0.00 34.50 33.63 1f8h s PRO 91 CO 0.33 -3.09 1.75 -1.00 0.04 0.00 0.00 177.00 175.04 1f8h h PRO 92 N -2.16 0.00 -0.15 0.56 0.13 -1.92 -2.43 132.00 126.02 1f8h h PRO 92 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1f8h h PRO 92 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1f8h h PRO 92 CO 0.52 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 1f8h n ALA 93 N -1.82 2.53 -0.16 -0.56 0.00 -1.26 -3.61 120.51 115.63 1f8h n ALA 93 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1f8h n ALA 93 Cb 0.24 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1f8h n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f8h n LEU 94 N 0.08 1.00 -4.17 0.00 7.99 -0.92 0.68 117.00 121.67 1f8h n LEU 94 Ca 0.14 -1.00 -0.27 0.00 -0.01 0.00 0.00 56.01 54.87 1f8h n LEU 94 Cb 0.25 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.40 1f8h n LEU 94 CO 0.11 0.25 -0.52 0.54 -1.51 0.00 0.00 177.39 176.27 1f8h s VAL 95 N -0.16 1.55 0.97 4.08 0.11 -1.24 -4.88 120.40 120.84 1f8h s VAL 95 Ca 0.00 -0.79 -0.12 0.00 -2.93 0.00 0.00 61.98 58.13 1f8h s VAL 95 Cb 0.00 -1.32 0.17 0.00 -1.53 0.00 0.00 36.38 33.70 1f8h s VAL 95 CO 0.00 0.44 1.10 -2.16 -3.33 0.00 0.00 175.10 171.15 1f8h s PRO 96 N -0.07 0.65 0.00 1.54 0.04 -1.26 -4.90 135.00 131.00 1f8h s PRO 96 Ca -0.02 0.52 0.17 0.00 0.04 0.00 0.00 61.00 61.71 1f8h s PRO 96 Cb -0.11 -1.76 0.88 0.00 0.04 0.00 0.00 34.50 33.55 1f8h s PRO 96 CO 0.02 -2.58 1.51 -0.35 0.04 0.00 0.00 177.00 175.64 1f8h n PRO 97 N -4.07 0.25 -0.00 0.56 -0.04 -1.26 -2.41 135.00 128.02 1f8h n PRO 97 Ca 0.06 0.12 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1f8h n PRO 97 Cb 0.57 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.27 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 -1.28 0.61 -0.57 3.54 2.88 -1.26 -3.03 113.62 114.51 1f8h n SER 98 Ca 0.08 -1.25 0.06 0.00 -1.33 0.00 0.00 58.87 56.44 1f8h n SER 98 Cb 0.14 -0.01 0.08 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.50 1.30 0.00 -1.46 0.00 -1.01 -5.11 118.16 111.37 1f8h n LYS 99 Ca 0.21 -1.48 0.00 0.00 0.00 0.00 0.00 58.31 57.04 1f8h n LYS 99 Cb 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1f8h n LYS 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29