#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 0.58 0.54 -0.00 -1.25 -4.53 118.94 117.58 1f8h s TRP 7 Ca 0.00 0.89 0.39 0.00 -0.00 0.00 0.00 56.10 57.38 1f8h s TRP 7 Cb 0.00 -2.86 1.42 0.00 -0.00 0.00 0.00 33.47 32.03 1f8h s TRP 7 CO 0.00 -0.30 1.55 0.00 -0.00 0.00 0.00 176.95 178.21 1f8h h ALA 8 N 7.76 3.31 -2.65 5.86 0.00 0.36 -3.38 119.26 130.52 1f8h h ALA 8 Ca -0.27 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.02 1f8h h ALA 8 Cb 1.12 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1f8h h ALA 8 CO 0.79 -1.90 -0.37 0.08 0.00 0.00 0.00 179.25 177.84 1f8h s VAL 9 N -4.72 5.24 0.45 0.00 1.01 -1.26 -5.08 120.40 116.04 1f8h s VAL 9 Ca -0.04 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.71 1f8h s VAL 9 Cb 0.21 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1f8h s VAL 9 CO 0.71 -0.05 0.44 -0.54 0.00 0.00 0.00 175.10 175.66 1f8h s LYS 10 N -3.00 2.51 0.26 2.72 -0.14 -1.26 -4.94 119.74 115.89 1f8h s LYS 10 Ca 0.38 -1.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.42 1f8h s LYS 10 Cb -0.12 -2.41 0.33 0.00 -1.68 0.00 0.00 37.83 33.96 1f8h s LYS 10 CO 0.28 -0.31 1.69 -1.00 -0.76 0.00 0.00 175.35 175.24 1f8h h PRO 11 N 0.88 0.57 -0.04 -1.68 0.13 -1.96 0.36 132.00 130.26 1f8h h PRO 11 Ca -0.40 -0.22 -0.11 0.00 -0.87 0.00 0.00 66.00 64.40 1f8h h PRO 11 Cb 1.27 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1f8h h PRO 11 CO 0.55 0.77 -0.50 1.49 -0.23 0.00 0.00 178.00 180.08 1f8h h GLU 12 N 0.50 0.09 0.09 0.86 4.81 -1.99 0.18 114.58 119.12 1f8h h GLU 12 Ca 0.07 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 58.98 1f8h h GLU 12 Cb 0.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1f8h h GLU 12 CO 0.05 0.58 -1.28 -0.44 -0.73 0.00 0.00 179.01 177.19 1f8h h ASP 13 N 0.08 0.30 1.21 1.04 5.19 -1.82 -3.11 116.42 119.29 1f8h h ASP 13 Ca 0.00 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1f8h h ASP 13 Cb 0.92 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1f8h h ASP 13 CO 0.07 1.28 0.00 0.50 -3.12 0.00 0.00 179.24 177.97 1f8h h LYS 14 N 0.05 0.00 0.10 3.56 1.63 -0.07 -1.87 116.57 119.97 1f8h h LYS 14 Ca -0.14 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.38 1f8h h LYS 14 Cb 1.94 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.59 1f8h h LYS 14 CO 0.17 0.00 -1.19 0.00 -3.45 0.00 0.00 179.45 174.98 1f8h h ALA 15 N 2.27 0.07 0.00 5.00 0.00 -0.90 -0.03 119.26 125.67 1f8h h ALA 15 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.04 1f8h h ALA 15 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1f8h h ALA 15 CO 0.00 0.74 -0.47 1.57 0.00 0.00 0.00 179.25 181.10 1f8h h LYS 16 N 0.25 0.00 -0.03 0.00 2.10 -1.48 -2.86 116.57 114.56 1f8h h LYS 16 Ca -0.16 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.25 1f8h h LYS 16 Cb 1.86 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.20 1f8h h LYS 16 CO 0.22 0.47 -0.93 1.88 -2.00 0.00 0.00 179.45 179.09 1f8h h TYR 17 N 0.00 0.80 0.00 0.07 0.05 -1.30 -2.58 116.97 114.00 1f8h h TYR 17 Ca -0.00 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1f8h h TYR 17 Cb 1.28 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1f8h h TYR 17 CO 0.00 1.23 0.00 0.22 -1.05 0.00 0.00 178.16 178.56 1f8h h ASP 18 N 0.33 0.00 0.28 3.88 3.58 -0.92 0.43 116.42 124.00 1f8h h ASP 18 Ca -0.09 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.03 1f8h h ASP 18 Cb 1.56 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.63 1f8h h ASP 18 CO 0.17 0.00 -1.60 0.00 -2.88 0.00 0.00 179.24 174.93 1f8h h ALA 19 N 2.07 0.06 -0.02 -0.78 0.00 -1.30 -0.97 119.26 118.30 1f8h h ALA 19 Ca 0.00 -1.03 -0.20 0.00 0.00 0.00 0.00 54.91 53.69 1f8h h ALA 19 Cb 0.43 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1f8h h ALA 19 CO 0.00 0.92 -0.84 0.82 0.00 0.00 0.00 179.25 180.15 1f8h h ILE 20 N 0.11 1.43 -0.41 0.00 2.04 -1.08 0.05 117.51 119.66 1f8h h ILE 20 Ca -0.29 -2.42 -0.12 0.00 1.00 0.00 0.00 64.86 63.03 1f8h h ILE 20 Cb 2.11 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 40.52 1f8h h ILE 20 CO 0.21 0.71 -0.23 0.15 0.00 0.00 0.00 178.15 179.00 1f8h h PHE 21 N 0.18 1.02 -0.01 1.37 3.04 -0.21 -2.53 116.94 119.80 1f8h h PHE 21 Ca -0.05 -0.26 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1f8h h PHE 21 Cb 1.45 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.73 1f8h h PHE 21 CO 0.04 1.05 -0.02 -3.47 -2.02 0.00 0.00 178.31 173.89 1f8h n ASP 22 N -4.19 0.70 -0.01 0.41 2.03 -0.37 -3.26 116.55 111.86 1f8h n ASP 22 Ca -0.01 -1.16 0.13 0.00 0.52 0.00 0.00 54.79 54.27 1f8h n ASP 22 Cb 0.45 -0.01 0.39 0.00 -0.72 0.00 0.00 41.12 41.23 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 -0.49 0.35 -0.00 1.67 2.88 -0.00 -3.31 113.62 114.71 1f8h n SER 23 Ca 0.21 -0.03 0.10 0.00 -1.33 0.00 0.00 58.87 57.81 1f8h n SER 23 Cb 0.24 -0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.56 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 -1.46 0.83 -1.04 2.46 4.77 -1.20 -5.03 117.00 116.32 1f8h n LEU 24 Ca 0.06 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1f8h n LEU 24 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1f8h n LEU 24 CO 0.32 0.21 0.00 -1.20 -1.33 0.00 0.00 177.39 175.38 1f8h n SER 25 N -1.59 -1.39 -4.80 -1.43 7.64 -1.21 -5.02 113.62 105.83 1f8h n SER 25 Ca 0.03 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.57 1f8h n SER 25 Cb 0.35 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 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 -0.26 3.65 -0.36 1.43 0.04 -1.26 -4.90 135.00 133.33 1f8h s PRO 26 Ca 0.00 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.43 1f8h s PRO 26 Cb 0.00 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.57 1f8h s PRO 26 CO 0.00 -0.56 0.08 0.08 0.04 0.00 0.00 177.00 176.64 1f8h s VAL 27 N -2.06 2.23 -1.14 -0.36 1.01 -0.28 -4.63 120.40 115.17 1f8h s VAL 27 Ca 0.67 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1f8h s VAL 27 Cb -0.17 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1f8h s VAL 27 CO 0.24 -0.64 0.00 -3.20 0.00 0.00 0.00 175.10 171.51 1f8h n ASN 28 N 4.12 -4.20 -0.23 3.32 4.05 -1.26 -2.82 115.26 118.24 1f8h n ASN 28 Ca 0.04 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.28 1f8h n ASN 28 Cb 0.41 -2.84 0.00 0.00 1.23 0.00 0.00 39.78 38.57 1f8h n ASN 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f8h n GLY 29 N -1.48 0.98 3.14 8.20 0.00 -1.26 -5.08 105.19 109.69 1f8h n GLY 29 Ca -0.12 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.45 -0.28 -0.09 1.61 0.08 -1.13 -3.86 117.98 111.87 1f8h s PHE 30 Ca 0.00 0.67 -0.00 0.00 0.12 0.00 0.00 56.93 57.72 1f8h s PHE 30 Cb 0.00 0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.52 1f8h s PHE 30 CO 0.00 -0.14 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.40 1f8h s LEU 31 N 0.08 3.19 0.21 -0.37 1.43 0.60 -1.13 118.68 122.69 1f8h s LEU 31 Ca -0.01 -0.04 -0.23 0.00 -1.03 0.00 0.00 54.13 52.83 1f8h s LEU 31 Cb -0.02 -1.71 -0.08 0.00 0.03 0.00 0.00 46.19 44.41 1f8h s LEU 31 CO 0.00 0.32 0.77 -0.94 0.23 0.00 0.00 176.35 176.74 1f8h s SER 32 N -0.56 7.23 0.60 2.29 1.04 -1.26 0.27 113.70 123.31 1f8h s SER 32 Ca 0.08 1.56 0.29 0.00 0.48 0.00 0.00 55.95 58.37 1f8h s SER 32 Cb -0.12 -2.47 1.19 0.00 0.10 0.00 0.00 66.02 64.73 1f8h s SER 32 CO 0.02 0.10 1.54 1.23 0.98 0.00 0.00 173.24 177.11 1f8h h GLY 33 N 3.79 0.00 2.00 7.32 0.00 -1.64 2.49 103.07 117.03 1f8h h GLY 33 Ca -0.47 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 -0.21 -0.55 0.00 0.00 0.00 176.54 176.43 1f8h h ASP 34 N 0.00 0.00 0.26 0.19 3.32 -1.89 1.54 116.42 119.83 1f8h h ASP 34 Ca 0.43 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.14 1f8h h ASP 34 Cb 2.37 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.88 1f8h h ASP 34 CO -0.00 0.21 -1.94 0.29 -1.72 0.00 0.00 179.24 176.07 1f8h n LYS 35 N -3.45 0.69 -0.03 3.56 5.02 0.83 -4.14 118.16 120.64 1f8h n LYS 35 Ca -0.00 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.38 1f8h n LYS 35 Cb 0.39 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.03 1.70 -0.95 -0.18 2.07 -1.14 -3.12 116.25 114.67 1f8h h VAL 36 Ca -0.39 -2.37 0.13 0.00 0.82 0.00 0.00 66.70 64.89 1f8h h VAL 36 Cb 2.03 3.30 -0.15 0.00 -1.52 0.00 0.00 31.29 34.96 1f8h h VAL 36 CO 0.07 0.63 -0.41 1.17 0.02 0.00 0.00 177.57 179.06 1f8h n LYS 37 N -4.47 -0.26 0.20 1.57 4.81 0.52 0.20 118.16 120.73 1f8h n LYS 37 Ca -0.11 1.45 0.04 0.00 -0.87 0.00 0.00 58.31 58.82 1f8h n LYS 37 Cb 0.58 -2.15 0.42 0.00 0.02 0.00 0.00 35.03 33.89 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 0.00 -0.06 1.64 0.13 -1.72 0.81 132.00 132.80 1f8h h PRO 38 Ca 0.30 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.30 1f8h h PRO 38 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1f8h h PRO 38 CO -0.93 0.30 -0.52 0.28 -0.23 0.00 0.00 178.00 176.90 1f8h h VAL 39 N 0.00 1.36 0.00 1.56 2.07 0.23 -2.87 116.25 118.60 1f8h h VAL 39 Ca -0.00 -1.79 -0.22 0.00 0.82 0.00 0.00 66.70 65.51 1f8h h VAL 39 Cb 0.54 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1f8h h VAL 39 CO 0.04 0.52 -1.26 -0.07 0.02 0.00 0.00 177.57 176.82 1f8h h LEU 40 N 0.13 0.00 -0.20 2.57 3.38 0.65 -3.18 115.31 118.66 1f8h h LEU 40 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f8h h LEU 40 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1f8h h LEU 40 CO 0.08 0.86 0.00 0.18 0.09 0.00 0.00 178.44 179.65 1f8h n LEU 41 N -3.14 0.18 -0.24 1.67 4.77 0.21 -1.60 117.00 118.86 1f8h n LEU 41 Ca -0.07 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 1f8h n LEU 41 Cb 0.94 -0.52 0.39 0.00 -2.33 0.00 0.00 43.42 41.89 1f8h n LEU 41 CO 0.45 -0.35 0.66 -3.20 -1.33 0.00 0.00 177.39 173.62 1f8h n ASN 42 N -1.70 1.00 -0.36 -1.43 2.85 -1.10 -3.84 115.26 110.68 1f8h n ASN 42 Ca 0.03 -0.88 0.01 0.00 -0.11 0.00 0.00 54.58 53.63 1f8h n ASN 42 Cb 0.18 0.13 0.04 0.00 1.24 0.00 0.00 39.78 41.36 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1f8h n SER 43 N -0.66 0.88 -0.79 1.20 7.64 -0.62 -4.82 113.62 116.45 1f8h n SER 43 Ca 0.12 -2.04 -0.09 0.00 1.01 0.00 0.00 58.87 57.87 1f8h n SER 43 Cb 0.35 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.13 -1.66 -3.98 1.43 4.81 -1.25 -4.87 118.16 112.51 1f8h n LYS 44 Ca 0.03 0.70 -0.25 0.00 -0.87 0.00 0.00 58.31 57.92 1f8h n LYS 44 Cb 0.19 -4.90 -0.03 0.00 0.02 0.00 0.00 35.03 30.31 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 -2.24 4.24 0.73 3.14 1.43 -1.26 -5.09 118.68 119.63 1f8h s LEU 45 Ca 0.00 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1f8h s LEU 45 Cb 0.00 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.45 1f8h s LEU 45 CO 0.00 0.03 1.07 -2.16 0.23 0.00 0.00 176.35 175.52 1f8h s PRO 46 N -3.39 2.62 0.12 1.29 0.04 -1.26 -4.84 135.00 129.58 1f8h s PRO 46 Ca 0.34 0.96 0.12 0.00 0.04 0.00 0.00 61.00 62.46 1f8h s PRO 46 Cb -0.10 -1.95 0.56 0.00 0.04 0.00 0.00 34.50 33.05 1f8h s PRO 46 CO 0.28 -1.33 1.36 0.28 0.04 0.00 0.00 177.00 177.63 1f8h n VAL 47 N -3.28 1.40 0.16 -0.36 0.31 -1.26 -1.06 118.33 114.24 1f8h n VAL 47 Ca 0.08 0.48 0.01 0.00 -0.01 0.00 0.00 64.34 64.90 1f8h n VAL 47 Cb 0.54 -1.42 0.27 0.00 -0.91 0.00 0.00 33.84 32.32 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 0.17 4.52 3.58 -1.97 1.37 116.42 124.09 1f8h h ASP 48 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 1f8h h ASP 48 Cb 0.10 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.16 1f8h h ASP 48 CO 0.00 0.49 -1.33 0.40 -2.88 0.00 0.00 179.24 175.92 1f8h h ILE 49 N 0.00 1.20 -0.02 2.25 1.08 -1.45 -3.03 117.51 117.54 1f8h h ILE 49 Ca -0.00 -2.52 -0.13 0.00 -0.39 0.00 0.00 64.86 61.81 1f8h h ILE 49 Cb 0.88 2.93 -0.02 0.00 -3.07 0.00 0.00 36.82 37.54 1f8h h ILE 49 CO 0.06 0.76 -0.59 -0.07 -0.69 0.00 0.00 178.15 177.63 1f8h h LEU 50 N -0.15 0.08 -1.49 1.44 3.38 -1.40 2.11 115.31 119.28 1f8h h LEU 50 Ca -0.26 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1f8h h LEU 50 Cb 1.88 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1f8h h LEU 50 CO 0.15 0.65 -0.20 1.23 0.09 0.00 0.00 178.44 180.36 1f8h h GLY 51 N 1.67 0.00 0.00 0.83 0.00 0.18 -1.79 103.07 103.96 1f8h h GLY 51 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 1f8h h GLY 51 CO 0.08 0.00 -2.30 -2.13 0.00 0.00 0.00 176.54 172.19 1f8h n ARG 52 N -3.58 0.83 -0.15 4.80 0.63 -0.85 -3.87 116.66 114.48 1f8h n ARG 52 Ca -0.01 0.05 -0.06 0.00 -0.92 0.00 0.00 57.85 56.91 1f8h n ARG 52 Cb 0.35 -1.47 0.11 0.00 0.45 0.00 0.00 32.46 31.89 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 1.25 0.04 5.15 2.07 0.35 -2.66 116.25 122.46 1f8h h VAL 53 Ca -0.51 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1f8h h VAL 53 Cb 2.01 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1f8h h VAL 53 CO -0.02 0.38 -0.02 -0.25 0.02 0.00 0.00 177.57 177.69 1f8h h TRP 54 N 0.83 -0.05 -0.33 1.57 2.91 -1.53 -2.46 115.95 116.89 1f8h h TRP 54 Ca 0.16 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.25 1f8h h TRP 54 Cb 0.50 0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 29.09 1f8h h TRP 54 CO 0.03 0.37 -0.20 0.93 -1.03 0.00 0.00 178.44 178.54 1f8h h GLU 55 N -0.49 -0.15 0.00 2.65 4.39 -1.65 1.89 114.58 121.21 1f8h h GLU 55 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1f8h h GLU 55 Cb 0.45 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1f8h h GLU 55 CO 0.01 -0.10 0.00 1.28 -1.16 0.00 0.00 179.01 179.04 1f8h n LEU 56 N -5.36 0.21 -0.09 1.33 4.77 -1.01 -2.29 117.00 114.55 1f8h n LEU 56 Ca 0.01 0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 56.33 1f8h n LEU 56 Cb 0.28 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.68 1f8h n LEU 56 CO 0.13 -0.51 -0.89 -1.54 -1.33 0.00 0.00 177.39 173.25 1f8h n SER 57 N -1.75 1.96 -4.42 -1.43 3.41 0.50 -4.66 113.62 107.22 1f8h n SER 57 Ca 0.01 0.30 -0.18 0.00 -0.26 0.00 0.00 58.87 58.74 1f8h n SER 57 Cb 0.10 -0.85 -0.12 0.00 -0.26 0.00 0.00 64.21 63.08 1f8h n SER 57 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1f8h n ASP 58 N -4.05 1.21 0.09 4.04 -0.08 0.52 -4.63 116.55 113.65 1f8h n ASP 58 Ca -0.39 -2.46 0.20 0.00 -1.51 0.00 0.00 54.79 50.62 1f8h n ASP 58 Cb 0.85 -1.54 0.75 0.00 2.34 0.00 0.00 41.12 43.51 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 6.47 0.51 0.00 5.18 1.08 -1.83 -0.97 117.51 127.95 1f8h h ILE 59 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1f8h h ILE 59 Cb 0.96 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1f8h h ILE 59 CO 1.14 0.00 -0.94 -0.90 -0.69 0.00 0.00 178.15 176.77 1f8h n ASP 60 N -3.95 1.15 -3.54 1.72 5.68 -1.26 -5.01 116.55 111.34 1f8h n ASP 60 Ca 0.07 -0.50 -0.20 0.00 -0.50 0.00 0.00 54.79 53.66 1f8h n ASP 60 Cb 0.54 1.21 0.07 0.00 -1.14 0.00 0.00 41.12 41.80 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 -1.52 -2.30 -0.71 2.11 8.25 -0.37 -4.89 115.22 115.79 1f8h n HIS 61 Ca 0.01 0.94 0.08 0.00 -0.26 0.00 0.00 57.72 58.48 1f8h n HIS 61 Cb 0.24 -4.91 0.23 0.00 1.12 0.00 0.00 29.99 26.67 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 -3.08 3.62 -0.31 0.41 5.75 -1.26 -4.92 116.55 116.76 1f8h n ASP 62 Ca -0.21 -2.66 -0.03 0.00 -0.01 0.00 0.00 54.79 51.88 1f8h n ASP 62 Cb 0.64 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.11 0.26 3.28 6.12 0.00 -1.26 -5.01 105.19 108.47 1f8h n GLY 63 Ca 0.18 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.12 1.00 -0.25 1.61 -1.94 -1.26 -1.62 119.30 112.72 1f8h s MET 64 Ca 0.00 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1f8h s MET 64 Cb 0.00 0.39 0.07 0.00 2.01 0.00 0.00 34.83 37.31 1f8h s MET 64 CO 0.00 -0.36 0.00 -0.51 -0.01 0.00 0.00 175.02 174.14 1f8h s LEU 65 N -2.87 2.50 0.84 -0.03 1.43 0.78 -4.65 118.68 116.67 1f8h s LEU 65 Ca 0.07 -1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 51.75 1f8h s LEU 65 Cb 0.03 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.29 1f8h s LEU 65 CO -0.09 -0.30 1.09 -0.62 0.23 0.00 0.00 176.35 176.67 1f8h s ASP 66 N 1.47 3.94 0.32 2.29 -1.08 -1.26 -0.29 116.67 122.05 1f8h s ASP 66 Ca -0.00 1.66 0.11 0.00 -0.52 0.00 0.00 52.55 53.79 1f8h s ASP 66 Cb -0.18 -2.34 0.95 0.00 -1.46 0.00 0.00 42.92 39.89 1f8h s ASP 66 CO -0.10 -2.37 1.69 0.08 0.52 0.00 0.00 175.17 174.99 1f8h h ARG 67 N -1.36 0.42 0.02 4.34 0.11 -1.95 1.48 114.38 117.44 1f8h h ARG 67 Ca -0.47 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 59.37 1f8h h ARG 67 Cb 1.26 -0.09 0.02 0.00 1.11 0.00 0.00 29.97 32.26 1f8h h ARG 67 CO 0.53 0.28 -0.87 0.38 0.10 0.00 0.00 179.97 180.38 1f8h h ASP 68 N 0.43 0.73 -0.55 0.08 3.04 -1.91 -2.76 116.42 115.48 1f8h h ASP 68 Ca 0.67 -0.77 -0.09 0.00 -3.24 0.00 0.00 57.03 53.61 1f8h h ASP 68 Cb 1.41 -0.22 -0.02 0.00 -1.04 0.00 0.00 39.33 39.45 1f8h h ASP 68 CO -0.55 1.41 -0.01 -0.33 -2.04 0.00 0.00 179.24 177.72 1f8h h GLU 69 N 0.13 0.97 0.00 4.15 5.08 -1.05 -1.40 114.58 122.47 1f8h h GLU 69 Ca -0.12 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1f8h h GLU 69 Cb 1.56 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1f8h h GLU 69 CO 0.17 0.98 -0.02 0.35 -1.00 0.00 0.00 179.01 179.49 1f8h h PHE 70 N 0.85 0.00 -0.17 4.33 3.04 0.19 -2.03 116.94 123.14 1f8h h PHE 70 Ca 0.15 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.97 1f8h h PHE 70 Cb 0.55 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1f8h h PHE 70 CO 0.04 0.02 -0.43 0.00 -2.02 0.00 0.00 178.31 175.93 1f8h h ALA 71 N 1.98 0.29 0.00 2.41 0.00 -0.95 -2.56 119.26 120.43 1f8h h ALA 71 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1f8h h ALA 71 Cb 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1f8h h ALA 71 CO 0.00 0.41 -0.09 0.28 0.00 0.00 0.00 179.25 179.85 1f8h h VAL 72 N 0.26 0.84 -0.01 0.00 2.07 -1.16 -0.98 116.25 117.27 1f8h h VAL 72 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1f8h h VAL 72 Cb 1.04 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1f8h h VAL 72 CO 0.09 0.09 -0.11 0.00 0.02 0.00 0.00 177.57 177.66 1f8h n ALA 73 N -2.42 2.79 -0.05 1.67 0.00 -1.13 -3.16 120.51 118.21 1f8h n ALA 73 Ca -0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1f8h n ALA 73 Cb 0.17 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 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 1.91 0.11 0.00 0.00 2.86 -0.76 -3.00 114.93 116.06 1f8h h MET 74 Ca 0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1f8h h MET 74 Cb 0.51 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1f8h h MET 74 CO 0.00 1.09 0.00 0.27 1.06 0.00 0.00 176.91 179.33 1f8h h PHE 75 N -0.62 0.00 0.00 -0.22 -5.15 -1.70 -0.74 116.94 108.52 1f8h h PHE 75 Ca -0.33 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.37 1f8h h PHE 75 Cb 1.54 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.70 1f8h h PHE 75 CO 0.11 0.00 -0.33 -0.07 -2.00 0.00 0.00 178.31 176.02 1f8h h LEU 76 N 0.00 0.00 0.04 2.10 3.38 -1.66 -2.62 115.31 116.55 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 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1f8h h LEU 76 CO 0.00 0.33 -1.70 0.52 0.09 0.00 0.00 178.44 177.68 1f8h n VAL 77 N -3.26 1.61 0.24 1.22 0.31 -0.99 -3.83 118.33 113.64 1f8h n VAL 77 Ca 0.02 -0.29 0.08 0.00 -0.01 0.00 0.00 64.34 64.13 1f8h n VAL 77 Cb 0.60 -1.90 0.60 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.61 0.00 0.00 3.52 0.05 -1.23 -1.33 116.97 117.36 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 0.11 -0.14 0.00 -1.05 0.00 0.00 178.16 177.15 1f8h h ALA 80 N 2.77 0.88 0.09 0.00 0.00 -0.81 2.25 119.26 124.43 1f8h h ALA 80 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1f8h h ALA 80 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1f8h h ALA 80 CO 0.00 0.00 -1.89 1.28 0.00 0.00 0.00 179.25 178.64 1f8h n LEU 81 N -2.94 2.48 0.26 0.00 4.32 -1.19 -4.48 117.00 115.45 1f8h n LEU 81 Ca 0.03 0.24 -0.12 0.00 -0.02 0.00 0.00 56.01 56.14 1f8h n LEU 81 Cb 0.53 -1.07 -0.06 0.00 -1.62 0.00 0.00 43.42 41.20 1f8h n LEU 81 CO 0.35 0.73 0.33 -0.08 -1.22 0.00 0.00 177.39 177.50 1f8h h GLU 82 N -0.18 -0.68 0.00 3.23 4.57 -1.66 -3.46 114.58 116.41 1f8h h GLU 82 Ca -0.42 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1f8h h GLU 82 Cb 1.87 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.61 1f8h h GLU 82 CO 0.00 -0.42 0.00 1.17 -1.18 0.00 0.00 179.01 178.59 1f8h n LYS 83 N -5.25 0.00 -3.37 1.92 0.00 -1.13 -5.12 118.16 105.22 1f8h n LYS 83 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.12 1f8h n LYS 83 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.24 1f8h n LYS 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1f8h s GLU 84 N 0.00 0.34 0.90 1.64 2.56 0.76 -4.98 118.70 119.92 1f8h s GLU 84 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 54.97 55.39 1f8h s GLU 84 Cb 0.00 -0.49 0.13 0.00 2.00 0.00 0.00 34.13 35.77 1f8h s GLU 84 CO 0.00 -0.63 1.09 -1.25 -0.56 0.00 0.00 175.26 173.91 1f8h s PRO 85 N 2.54 1.18 -0.23 4.30 0.04 -1.26 -2.30 135.00 139.27 1f8h s PRO 85 Ca 0.12 0.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 1f8h s PRO 85 Cb -0.15 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1f8h s PRO 85 CO -0.16 -2.33 -0.02 0.08 0.04 0.00 0.00 177.00 174.62 1f8h s VAL 86 N -2.86 3.56 0.85 -0.36 1.01 -1.26 -4.89 120.40 116.45 1f8h s VAL 86 Ca 0.64 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1f8h s VAL 86 Cb -0.19 -2.65 0.14 0.00 0.00 0.00 0.00 36.38 33.69 1f8h s VAL 86 CO 0.58 0.38 1.19 -2.16 0.00 0.00 0.00 175.10 175.09 1f8h s PRO 87 N 1.50 1.33 -0.07 2.72 0.04 -1.26 -4.92 135.00 134.34 1f8h s PRO 87 Ca 0.06 -0.39 0.20 0.00 0.04 0.00 0.00 61.00 60.90 1f8h s PRO 87 Cb -0.15 -2.00 0.68 0.00 0.04 0.00 0.00 34.50 33.08 1f8h s PRO 87 CO -0.02 -1.90 1.58 -1.33 0.04 0.00 0.00 177.00 175.37 1f8h n MET 88 N -3.39 3.27 -3.53 4.56 2.81 -1.26 -4.83 117.12 114.75 1f8h n MET 88 Ca 0.13 -2.71 -0.41 0.00 -1.81 0.00 0.00 57.70 52.90 1f8h n MET 88 Cb 0.60 -1.75 -0.11 0.00 -0.71 0.00 0.00 33.22 31.25 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 -0.93 6.01 -0.90 7.83 0.01 -1.26 -4.87 113.70 119.60 1f8h s SER 89 Ca 0.49 -0.52 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 1f8h s SER 89 Cb 0.29 -2.13 0.23 0.00 0.21 0.00 0.00 66.02 64.63 1f8h s SER 89 CO 0.28 -0.27 0.85 -0.22 0.41 0.00 0.00 173.24 174.29 1f8h s LEU 90 N 1.70 6.66 1.25 2.44 2.96 -1.26 -5.04 118.68 127.39 1f8h s LEU 90 Ca 0.06 -2.91 -0.17 0.00 -0.22 0.00 0.00 54.13 50.89 1f8h s LEU 90 Cb -0.18 -2.21 0.31 0.00 0.50 0.00 0.00 46.19 44.61 1f8h s LEU 90 CO 0.10 -0.51 1.01 -2.16 -1.32 0.00 0.00 176.35 173.47 1f8h s PRO 91 N -0.16 -1.60 0.24 0.98 0.04 -1.26 -4.88 135.00 128.35 1f8h s PRO 91 Ca 0.21 0.44 0.24 0.00 0.04 0.00 0.00 61.00 61.93 1f8h s PRO 91 Cb -0.10 -1.51 0.94 0.00 0.04 0.00 0.00 34.50 33.88 1f8h s PRO 91 CO -0.09 -4.07 1.73 -0.35 0.04 0.00 0.00 177.00 174.25 1f8h n PRO 92 N -5.11 0.21 0.00 0.56 -0.04 -1.26 -2.25 135.00 127.11 1f8h n PRO 92 Ca 0.07 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1f8h n PRO 92 Cb 0.57 -1.85 0.47 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.77 2.00 -0.03 0.55 0.00 -1.26 -2.76 120.51 117.24 1f8h n ALA 93 Ca 0.03 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1f8h n ALA 93 Cb 0.27 -1.35 -0.17 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.50 0.01 -4.70 0.00 7.99 -0.96 0.27 117.00 118.13 1f8h n LEU 94 Ca 0.05 0.01 -0.42 0.00 -0.01 0.00 0.00 56.01 55.64 1f8h n LEU 94 Cb 0.25 0.10 -0.03 0.00 -0.11 0.00 0.00 43.42 43.64 1f8h n LEU 94 CO 0.20 0.10 1.15 -0.69 -1.51 0.00 0.00 177.39 176.64 1f8h s VAL 95 N -3.31 3.42 0.95 4.08 1.01 -1.11 -4.79 120.40 120.65 1f8h s VAL 95 Ca -0.08 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1f8h s VAL 95 Cb 0.12 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 33.09 1f8h s VAL 95 CO 0.89 0.02 1.11 -2.16 0.00 0.00 0.00 175.10 174.96 1f8h s PRO 96 N 2.06 0.80 0.49 2.72 0.04 -1.26 -4.84 135.00 135.01 1f8h s PRO 96 Ca 0.66 0.42 0.28 0.00 0.04 0.00 0.00 61.00 62.40 1f8h s PRO 96 Cb -0.35 -1.79 1.01 0.00 0.04 0.00 0.00 34.50 33.41 1f8h s PRO 96 CO 0.29 -2.45 1.85 -1.00 0.04 0.00 0.00 177.00 175.73 1f8h h PRO 97 N -1.69 0.00 0.00 0.56 0.13 -1.99 -2.56 132.00 126.45 1f8h h PRO 97 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1f8h h PRO 97 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1f8h h PRO 97 CO 0.60 0.10 0.00 -1.13 -0.23 0.00 0.00 178.00 177.34 1f8h n SER 98 N -3.21 0.40 -0.24 1.44 3.41 -1.26 -2.17 113.62 112.00 1f8h n SER 98 Ca 0.01 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1f8h n SER 98 Cb 0.40 -0.66 0.41 0.00 -0.26 0.00 0.00 64.21 64.10 1f8h n SER 98 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1f8h n LYS 99 N -1.90 0.84 0.00 4.33 3.00 -0.96 -5.24 118.16 118.22 1f8h n LYS 99 Ca 0.05 -0.47 0.14 0.00 -0.00 0.00 0.00 58.31 58.02 1f8h n LYS 99 Cb 0.31 -1.49 0.53 0.00 0.00 0.00 0.00 35.03 34.37 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94