#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 3.62 0.57 0.54 -0.00 -1.26 -4.65 118.94 117.76 1f8h s TRP 7 Ca 0.00 1.30 0.33 0.00 -0.00 0.00 0.00 56.10 57.73 1f8h s TRP 7 Cb 0.00 -2.80 1.42 0.00 -0.00 0.00 0.00 33.47 32.09 1f8h s TRP 7 CO 0.00 0.13 1.73 0.00 -0.00 0.00 0.00 176.95 178.82 1f8h h ALA 8 N 6.49 2.80 -2.60 5.86 0.00 0.27 -3.39 119.26 128.70 1f8h h ALA 8 Ca -0.42 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 1f8h h ALA 8 Cb 1.20 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1f8h h ALA 8 CO 0.74 -1.30 -0.15 0.08 0.00 0.00 0.00 179.25 178.62 1f8h s VAL 9 N -4.73 4.96 0.52 0.00 1.01 -1.26 -5.09 120.40 115.81 1f8h s VAL 9 Ca -0.04 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.57 1f8h s VAL 9 Cb 0.19 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1f8h s VAL 9 CO 0.66 0.12 0.59 -0.54 0.00 0.00 0.00 175.10 175.93 1f8h s LYS 10 N -2.31 2.38 0.25 2.72 1.02 -1.26 -4.93 119.74 117.62 1f8h s LYS 10 Ca 0.40 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.70 1f8h s LYS 10 Cb -0.13 -2.45 0.32 0.00 -0.52 0.00 0.00 37.83 35.05 1f8h s LYS 10 CO 0.20 -0.62 1.67 -1.00 -0.92 0.00 0.00 175.35 174.68 1f8h h PRO 11 N 0.53 0.56 0.00 -1.68 0.13 -1.97 0.90 132.00 130.47 1f8h h PRO 11 Ca -0.35 -0.23 -0.14 0.00 -0.87 0.00 0.00 66.00 64.41 1f8h h PRO 11 Cb 1.29 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1f8h h PRO 11 CO 0.49 0.78 -0.67 1.05 -0.23 0.00 0.00 178.00 179.42 1f8h h GLU 12 N 0.48 0.00 0.07 0.86 4.11 -1.99 -1.77 114.58 116.34 1f8h h GLU 12 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.23 1f8h h GLU 12 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1f8h h GLU 12 CO 0.06 0.67 -1.29 -0.44 0.07 0.00 0.00 179.01 178.07 1f8h h ASP 13 N 0.00 0.24 1.20 3.06 3.32 -1.89 -3.15 116.42 119.21 1f8h h ASP 13 Ca -0.01 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1f8h h ASP 13 Cb 1.25 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1f8h h ASP 13 CO 0.09 1.24 0.00 1.17 -1.72 0.00 0.00 179.24 180.01 1f8h n LYS 14 N -3.40 0.17 0.09 3.56 0.00 0.29 -2.23 118.16 116.64 1f8h n LYS 14 Ca -0.09 0.19 -0.22 0.00 0.00 0.00 0.00 58.31 58.19 1f8h n LYS 14 Cb 1.01 -1.71 -0.15 0.00 0.00 0.00 0.00 35.03 34.17 1f8h n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f8h h ALA 15 N 2.62 -0.09 0.00 3.14 0.00 -1.28 -1.30 119.26 122.34 1f8h h ALA 15 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 1f8h h ALA 15 Cb 0.60 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1f8h h ALA 15 CO 0.00 0.55 -0.40 1.57 0.00 0.00 0.00 179.25 180.97 1f8h h LYS 16 N -0.04 0.00 -0.09 0.00 2.10 -1.51 -2.44 116.57 114.60 1f8h h LYS 16 Ca -0.19 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.27 1f8h h LYS 16 Cb 1.87 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.20 1f8h h LYS 16 CO 0.21 0.40 -0.72 1.88 -2.00 0.00 0.00 179.45 179.22 1f8h h TYR 17 N 0.00 0.60 0.00 0.07 -1.99 -1.43 -2.49 116.97 111.74 1f8h h TYR 17 Ca -0.00 -0.26 -0.04 0.00 2.00 0.00 0.00 58.73 60.42 1f8h h TYR 17 Cb 0.95 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 1f8h h TYR 17 CO 0.00 1.02 -0.19 0.22 -0.00 0.00 0.00 178.16 179.21 1f8h h ASP 18 N 0.31 0.00 0.59 3.88 3.58 -0.89 0.46 116.42 124.34 1f8h h ASP 18 Ca -0.03 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.16 1f8h h ASP 18 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1f8h h ASP 18 CO 0.13 0.19 -1.17 0.00 -2.88 0.00 0.00 179.24 175.51 1f8h h ALA 19 N 1.81 0.16 0.03 -0.78 0.00 -1.22 0.26 119.26 119.53 1f8h h ALA 19 Ca -0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 54.91 53.84 1f8h h ALA 19 Cb 0.68 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1f8h h ALA 19 CO 0.02 0.95 -1.04 0.82 0.00 0.00 0.00 179.25 180.01 1f8h h ILE 20 N 0.10 1.63 0.00 0.00 2.04 -1.08 0.14 117.51 120.34 1f8h h ILE 20 Ca -0.12 -3.21 -0.24 0.00 1.00 0.00 0.00 64.86 62.29 1f8h h ILE 20 Cb 1.88 2.81 0.01 0.00 -0.74 0.00 0.00 36.82 40.78 1f8h h ILE 20 CO 0.19 0.92 -0.97 0.15 0.00 0.00 0.00 178.15 178.45 1f8h h PHE 21 N 0.03 0.71 -0.16 1.37 3.04 -0.08 -3.01 116.94 118.84 1f8h h PHE 21 Ca -0.05 -0.39 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1f8h h PHE 21 Cb 1.77 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 40.20 1f8h h PHE 21 CO 0.02 1.21 0.00 -3.47 -2.02 0.00 0.00 178.31 174.05 1f8h n ASP 22 N -3.77 1.77 -0.04 0.41 2.03 0.90 -3.56 116.55 114.30 1f8h n ASP 22 Ca -0.08 -1.71 0.12 0.00 0.52 0.00 0.00 54.79 53.64 1f8h n ASP 22 Cb 0.85 -0.10 0.20 0.00 -0.72 0.00 0.00 41.12 41.34 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 0.67 -0.14 1.67 7.64 0.03 -3.61 113.62 120.27 1f8h n SER 23 Ca 0.16 -0.47 0.08 0.00 1.01 0.00 0.00 58.87 59.65 1f8h n SER 23 Cb 0.35 0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.38 1.10 -0.96 -3.43 4.77 -1.23 -5.04 117.00 110.84 1f8h n LEU 24 Ca 0.06 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 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 0.35 0.24 0.00 -0.24 -1.33 0.00 0.00 177.39 176.41 1f8h n SER 25 N -0.91 -1.28 -4.77 -1.43 2.88 -1.24 -5.03 113.62 101.84 1f8h n SER 25 Ca 0.05 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.22 1f8h n SER 25 Cb 0.29 -0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 63.10 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f8h s PRO 26 N -0.63 3.79 -0.46 -1.46 0.04 -1.26 -4.88 135.00 130.14 1f8h s PRO 26 Ca 0.00 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 1f8h s PRO 26 Cb 0.00 -2.39 0.12 0.00 0.04 0.00 0.00 34.50 32.28 1f8h s PRO 26 CO 0.00 -0.51 0.23 0.08 0.04 0.00 0.00 177.00 176.84 1f8h s VAL 27 N -1.59 3.04 -1.72 -0.36 1.01 0.10 -4.61 120.40 116.27 1f8h s VAL 27 Ca 0.64 -2.54 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1f8h s VAL 27 Cb -0.27 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1f8h s VAL 27 CO 0.33 -0.73 0.00 -3.20 0.00 0.00 0.00 175.10 171.50 1f8h n ASN 28 N 4.02 -4.96 -0.06 3.32 5.15 -1.26 -2.18 115.26 119.29 1f8h n ASN 28 Ca 0.03 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1f8h n ASN 28 Cb 0.39 -3.90 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 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 -0.98 1.32 3.26 8.20 0.00 -1.26 -5.09 105.19 110.64 1f8h n GLY 29 Ca -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1f8h n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f8h s PHE 30 N -2.11 -0.29 0.09 1.61 0.08 -0.93 -3.53 117.98 112.90 1f8h s PHE 30 Ca 0.00 0.61 0.07 0.00 0.12 0.00 0.00 56.93 57.73 1f8h s PHE 30 Cb 0.00 0.13 -0.04 0.00 -0.57 0.00 0.00 43.02 42.54 1f8h s PHE 30 CO 0.00 -0.31 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.20 1f8h s LEU 31 N -0.67 3.04 -0.02 -0.37 1.43 0.28 0.02 118.68 122.40 1f8h s LEU 31 Ca -0.08 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1f8h s LEU 31 Cb -0.04 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1f8h s LEU 31 CO 0.03 0.19 0.20 -0.94 0.23 0.00 0.00 176.35 176.06 1f8h s SER 32 N -2.11 6.41 0.58 2.29 1.04 -1.26 0.26 113.70 120.91 1f8h s SER 32 Ca 0.21 0.43 0.38 0.00 0.48 0.00 0.00 55.95 57.44 1f8h s SER 32 Cb -0.11 -2.04 1.33 0.00 0.10 0.00 0.00 66.02 65.30 1f8h s SER 32 CO 0.13 0.28 1.47 1.23 0.98 0.00 0.00 173.24 177.32 1f8h h GLY 33 N 4.02 0.00 2.00 7.32 0.00 -1.50 2.35 103.07 117.25 1f8h h GLY 33 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1f8h h GLY 33 CO 0.67 0.00 -0.11 -0.55 0.00 0.00 0.00 176.54 176.55 1f8h h ASP 34 N 0.00 0.00 0.03 0.19 3.32 -1.91 0.74 116.42 118.79 1f8h h ASP 34 Ca 0.68 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.36 1f8h h ASP 34 Cb 3.21 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 42.69 1f8h h ASP 34 CO -0.01 0.11 -2.35 0.29 -1.72 0.00 0.00 179.24 175.55 1f8h n LYS 35 N -3.54 0.68 0.08 3.56 5.02 0.78 -4.43 118.16 120.32 1f8h n LYS 35 Ca -0.02 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 1f8h n LYS 35 Cb 0.24 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 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 1.43 -0.85 -0.18 2.07 -1.16 -3.14 116.25 114.43 1f8h h VAL 36 Ca -0.54 -2.57 0.13 0.00 0.82 0.00 0.00 66.70 64.55 1f8h h VAL 36 Cb 2.17 3.11 -0.14 0.00 -1.52 0.00 0.00 31.29 34.91 1f8h h VAL 36 CO 0.01 0.74 -0.40 0.50 0.02 0.00 0.00 177.57 178.44 1f8h h LYS 37 N -0.17 -0.07 -0.16 1.57 3.64 0.29 0.77 116.57 122.44 1f8h h LYS 37 Ca -0.18 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1f8h h LYS 37 Cb 1.81 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 1f8h h LYS 37 CO 0.19 -0.04 -0.26 -1.00 -2.27 0.00 0.00 179.45 176.07 1f8h h PRO 38 N -0.07 0.30 0.00 1.90 0.13 -1.78 0.22 132.00 132.70 1f8h h PRO 38 Ca 0.28 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 1f8h h PRO 38 Cb 0.57 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1f8h h PRO 38 CO -0.88 0.55 -0.23 0.28 -0.23 0.00 0.00 178.00 177.49 1f8h h VAL 39 N 0.27 1.06 0.00 1.56 2.07 0.36 -2.51 116.25 119.07 1f8h h VAL 39 Ca 0.04 -0.83 -0.19 0.00 0.82 0.00 0.00 66.70 66.54 1f8h h VAL 39 Cb 0.62 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1f8h h VAL 39 CO 0.04 0.23 -1.67 0.18 0.02 0.00 0.00 177.57 176.37 1f8h n LEU 40 N -4.11 0.62 0.00 2.57 4.77 0.13 -3.80 117.00 117.18 1f8h n LEU 40 Ca -0.02 0.27 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1f8h n LEU 40 Cb 0.30 0.15 0.44 0.00 -2.33 0.00 0.00 43.42 41.98 1f8h n LEU 40 CO 0.36 0.21 0.81 0.18 -1.33 0.00 0.00 177.39 177.62 1f8h n LEU 41 N -2.81 0.00 -0.29 2.23 4.77 0.69 -2.40 117.00 119.19 1f8h n LEU 41 Ca -0.14 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1f8h n LEU 41 Cb 0.88 -0.45 0.40 0.00 -2.33 0.00 0.00 43.42 41.92 1f8h n LEU 41 CO 0.43 -0.15 0.69 0.59 -1.33 0.00 0.00 177.39 177.63 1f8h n ASN 42 N -1.45 1.11 -0.34 -1.43 3.02 -0.98 -3.84 115.26 111.35 1f8h n ASN 42 Ca 0.06 -1.00 0.03 0.00 -0.03 0.00 0.00 54.58 53.64 1f8h n ASN 42 Cb 0.22 0.11 0.08 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.50 0.97 0.00 6.41 7.64 -1.01 -4.84 113.62 122.30 1f8h n SER 43 Ca 0.13 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 58.01 1f8h n SER 43 Cb 0.35 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.01 -1.00 -3.46 1.43 3.00 -1.25 -4.78 118.16 112.10 1f8h n LYS 44 Ca 0.06 0.25 -0.26 0.00 -0.00 0.00 0.00 58.31 58.36 1f8h n LYS 44 Cb 0.16 -4.20 -0.02 0.00 0.00 0.00 0.00 35.03 30.97 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 0.00 4.09 1.00 3.14 1.43 -1.26 -5.08 118.68 122.00 1f8h s LEU 45 Ca 0.00 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 1f8h s LEU 45 Cb 0.00 -3.32 0.20 0.00 0.03 0.00 0.00 46.19 43.10 1f8h s LEU 45 CO 0.00 -0.20 1.24 -2.16 0.23 0.00 0.00 176.35 175.46 1f8h s PRO 46 N -3.84 0.36 0.00 1.29 0.04 -1.26 -4.83 135.00 126.76 1f8h s PRO 46 Ca 0.40 -0.21 0.20 0.00 0.04 0.00 0.00 61.00 61.44 1f8h s PRO 46 Cb -0.10 -1.79 1.07 0.00 0.04 0.00 0.00 34.50 33.71 1f8h s PRO 46 CO 0.32 -2.63 1.63 0.28 0.04 0.00 0.00 177.00 176.64 1f8h n VAL 47 N -3.97 0.30 0.08 -0.36 0.31 -1.26 -2.48 118.33 110.95 1f8h n VAL 47 Ca 0.13 0.07 -0.05 0.00 -0.01 0.00 0.00 64.34 64.48 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 -0.78 -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 -1.96 0.77 116.42 123.50 1f8h h ASP 48 Ca 0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 1f8h h ASP 48 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1f8h h ASP 48 CO 0.00 0.90 -1.77 0.40 -2.88 0.00 0.00 179.24 175.89 1f8h h ILE 49 N 0.00 0.89 0.00 2.25 1.08 -1.85 -3.02 117.51 116.86 1f8h h ILE 49 Ca -0.01 -2.47 -0.14 0.00 -0.39 0.00 0.00 64.86 61.85 1f8h h ILE 49 Cb 1.60 2.71 -0.02 0.00 -3.07 0.00 0.00 36.82 38.04 1f8h h ILE 49 CO 0.12 0.85 -0.68 -0.07 -0.69 0.00 0.00 178.15 177.68 1f8h h LEU 50 N 0.06 0.00 -1.23 1.44 3.38 -1.58 2.19 115.31 119.58 1f8h h LEU 50 Ca -0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1f8h h LEU 50 Cb 2.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 1f8h h LEU 50 CO 0.15 0.68 -0.26 1.23 0.09 0.00 0.00 178.44 180.33 1f8h h GLY 51 N 2.58 0.00 0.00 0.83 0.00 0.47 -1.29 103.07 105.66 1f8h h GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.97 1f8h h GLY 51 CO 0.09 0.00 -2.32 -2.13 0.00 0.00 0.00 176.54 172.18 1f8h n ARG 52 N -3.53 0.80 -0.04 4.80 0.63 -1.00 -3.85 116.66 114.47 1f8h n ARG 52 Ca -0.01 0.05 -0.05 0.00 -0.92 0.00 0.00 57.85 56.92 1f8h n ARG 52 Cb 0.41 -1.48 0.15 0.00 0.45 0.00 0.00 32.46 31.99 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 0.24 5.15 2.07 0.37 -2.68 116.25 122.66 1f8h h VAL 53 Ca -0.52 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1f8h h VAL 53 Cb 2.03 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1f8h h VAL 53 CO -0.02 0.42 -0.12 -0.25 0.02 0.00 0.00 177.57 177.63 1f8h h TRP 54 N 0.55 -0.30 -0.34 1.57 2.91 -1.43 -1.72 115.95 117.20 1f8h h TRP 54 Ca 0.08 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.15 1f8h h TRP 54 Cb 0.68 0.10 -0.08 0.00 -0.51 0.00 0.00 29.16 29.35 1f8h h TRP 54 CO 0.03 0.03 -0.48 0.93 -1.03 0.00 0.00 178.44 177.93 1f8h h GLU 55 N -0.66 -0.39 0.00 2.65 5.08 -1.64 3.06 114.58 122.68 1f8h h GLU 55 Ca -0.03 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1f8h h GLU 55 Cb 0.47 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1f8h h GLU 55 CO 0.05 -0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.09 1f8h n LEU 56 N -5.41 0.33 -0.06 1.33 4.77 -1.02 -1.93 117.00 115.01 1f8h n LEU 56 Ca -0.02 0.63 -0.20 0.00 -0.03 0.00 0.00 56.01 56.39 1f8h n LEU 56 Cb 0.36 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.67 1f8h n LEU 56 CO 0.05 -0.65 -1.07 -1.20 -1.33 0.00 0.00 177.39 173.18 1f8h n SER 57 N -1.92 2.05 -3.85 -1.43 7.64 0.53 -4.55 113.62 112.09 1f8h n SER 57 Ca 0.00 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 1f8h n SER 57 Cb 0.08 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1f8h n SER 57 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1f8h n ASP 58 N -3.42 4.49 0.22 6.43 2.03 0.90 -4.58 116.55 122.61 1f8h n ASP 58 Ca -0.39 -2.96 0.15 0.00 0.52 0.00 0.00 54.79 52.10 1f8h n ASP 58 Cb 1.01 -1.58 0.77 0.00 -0.72 0.00 0.00 41.12 40.60 1f8h n ASP 58 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1f8h h ILE 59 N 3.98 0.00 0.00 5.18 2.04 -1.80 0.75 117.51 127.66 1f8h h ILE 59 Ca 0.48 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.31 1f8h h ILE 59 Cb 0.65 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1f8h h ILE 59 CO 1.74 0.00 -0.93 0.47 0.00 0.00 0.00 178.15 179.43 1f8h n ASP 60 N -2.53 0.65 -3.10 1.72 8.00 -1.26 -4.94 116.55 115.08 1f8h n ASP 60 Ca -0.02 -0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.25 1f8h n ASP 60 Cb 0.07 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1f8h n ASP 60 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1f8h n HIS 61 N -2.11 -1.73 0.30 1.24 8.25 0.26 -4.81 115.22 116.62 1f8h n HIS 61 Ca 0.02 0.37 0.10 0.00 -0.26 0.00 0.00 57.72 57.95 1f8h n HIS 61 Cb 0.46 -3.10 0.18 0.00 1.12 0.00 0.00 29.99 28.65 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 -2.21 3.16 0.00 0.41 5.75 -1.26 -4.93 116.55 117.48 1f8h n ASP 62 Ca -0.06 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1f8h n ASP 62 Cb 0.57 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 1.24 0.82 3.27 6.12 0.00 -1.26 -5.02 105.19 110.35 1f8h n GLY 63 Ca 0.16 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1f8h n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f8h s MET 64 N -2.41 0.98 -0.23 1.61 -1.94 -1.25 -1.23 119.30 114.83 1f8h s MET 64 Ca 0.00 -0.98 0.01 0.00 -1.71 0.00 0.00 55.69 53.01 1f8h s MET 64 Cb 0.00 0.37 0.06 0.00 2.01 0.00 0.00 34.83 37.27 1f8h s MET 64 CO 0.00 -0.34 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.09 1f8h s LEU 65 N -2.88 2.63 0.96 -0.03 1.43 0.72 -4.68 118.68 116.82 1f8h s LEU 65 Ca 0.08 -1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 51.92 1f8h s LEU 65 Cb 0.04 -1.24 0.16 0.00 0.03 0.00 0.00 46.19 45.18 1f8h s LEU 65 CO -0.08 -0.21 1.09 -0.62 0.23 0.00 0.00 176.35 176.76 1f8h s ASP 66 N 1.35 2.93 0.33 2.29 -1.08 -1.26 -0.55 116.67 120.68 1f8h s ASP 66 Ca -0.05 1.37 0.10 0.00 -0.52 0.00 0.00 52.55 53.45 1f8h s ASP 66 Cb -0.18 -2.05 0.87 0.00 -1.46 0.00 0.00 42.92 40.09 1f8h s ASP 66 CO -0.06 -2.96 1.76 0.08 0.52 0.00 0.00 175.17 174.50 1f8h h ARG 67 N -1.77 0.61 0.14 4.34 0.11 -1.95 1.85 114.38 117.71 1f8h h ARG 67 Ca -0.52 -0.04 -0.28 0.00 0.10 0.00 0.00 59.98 59.24 1f8h h ARG 67 Cb 1.31 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 32.26 1f8h h ARG 67 CO 0.55 0.40 -1.25 -0.44 0.10 0.00 0.00 179.97 179.33 1f8h h ASP 68 N 0.62 0.47 -0.06 0.08 5.19 -1.90 -2.86 116.42 117.96 1f8h h ASP 68 Ca 0.60 -0.50 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 1f8h h ASP 68 Cb 1.13 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1f8h h ASP 68 CO -0.40 1.39 -0.20 -0.33 -3.12 0.00 0.00 179.24 176.58 1f8h h GLU 69 N 0.09 0.25 -0.15 3.56 5.08 -1.07 -2.86 114.58 119.47 1f8h h GLU 69 Ca -0.14 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1f8h h GLU 69 Cb 1.97 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1f8h h GLU 69 CO 0.21 0.81 0.14 0.35 -1.00 0.00 0.00 179.01 179.52 1f8h h PHE 70 N -0.26 0.00 -0.07 4.33 3.04 0.26 -1.74 116.94 122.50 1f8h h PHE 70 Ca -0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1f8h h PHE 70 Cb 0.83 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.34 1f8h h PHE 70 CO 0.13 0.00 -0.04 0.00 -2.02 0.00 0.00 178.31 176.38 1f8h h ALA 71 N 1.86 0.10 -0.03 2.41 0.00 -1.28 -2.64 119.26 119.67 1f8h h ALA 71 Ca 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1f8h h ALA 71 Cb 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1f8h h ALA 71 CO -0.00 -0.15 0.09 0.28 0.00 0.00 0.00 179.25 179.47 1f8h h VAL 72 N -0.24 0.19 0.00 0.00 2.07 -1.16 -0.42 116.25 116.69 1f8h h VAL 72 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1f8h h VAL 72 Cb 0.48 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1f8h h VAL 72 CO 0.01 0.00 -0.53 0.00 0.02 0.00 0.00 177.57 177.07 1f8h n ALA 73 N -2.14 3.14 0.07 1.67 0.00 -1.01 -3.12 120.51 119.11 1f8h n ALA 73 Ca -0.02 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1f8h n ALA 73 Cb 0.17 -1.17 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 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 0.38 0.00 0.00 0.00 -0.85 -2.95 114.93 111.51 1f8h h MET 74 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 59.70 58.95 1f8h h MET 74 Cb 0.62 0.24 -0.01 0.00 0.00 0.00 0.00 31.60 32.45 1f8h h MET 74 CO 0.00 1.31 -0.46 0.27 0.00 0.00 0.00 176.91 178.03 1f8h h PHE 75 N 0.07 0.00 0.00 -0.22 -0.00 -1.71 -1.87 116.94 113.21 1f8h h PHE 75 Ca -0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.62 1f8h h PHE 75 Cb 2.07 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 38.02 1f8h h PHE 75 CO 0.10 0.46 -0.01 -0.07 -0.00 0.00 0.00 178.31 178.80 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.64 -1.49 115.31 117.67 1f8h h LEU 76 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 1f8h h LEU 76 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1f8h h LEU 76 CO 0.06 0.01 -1.49 0.52 0.09 0.00 0.00 178.44 177.62 1f8h n VAL 77 N -3.10 1.54 -0.24 1.22 0.31 -1.07 -3.02 118.33 113.97 1f8h n VAL 77 Ca 0.02 -0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 64.17 1f8h n VAL 77 Cb 0.38 -2.01 0.04 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.98 1.08 -0.00 3.52 0.05 -1.39 0.12 116.97 119.37 1f8h h TYR 78 Ca -0.41 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.25 1f8h h TYR 78 Cb 1.37 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1f8h h TYR 78 CO 0.07 0.88 -0.03 0.00 -1.05 0.00 0.00 178.16 178.02 1f8h n ALA 80 N -1.45 1.41 0.06 0.00 0.00 -0.69 -3.01 120.51 116.83 1f8h n ALA 80 Ca 0.08 -0.89 0.05 0.00 0.00 0.00 0.00 53.44 52.68 1f8h n ALA 80 Cb 0.32 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 1f8h n ALA 80 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1f8h n LEU 81 N -3.05 0.84 0.18 0.00 -0.00 0.33 -3.80 117.00 111.49 1f8h n LEU 81 Ca -0.24 0.35 -0.11 0.00 -0.00 0.00 0.00 56.01 56.01 1f8h n LEU 81 Cb 1.07 0.02 -0.06 0.00 -0.00 0.00 0.00 43.42 44.45 1f8h n LEU 81 CO 0.43 0.00 0.36 -0.08 -0.00 0.00 0.00 177.39 178.10 1f8h h GLU 82 N 0.00 -0.48 0.00 1.47 4.57 -1.40 -3.45 114.58 115.28 1f8h h GLU 82 Ca -0.09 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1f8h h GLU 82 Cb 1.33 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 29.93 1f8h h GLU 82 CO 0.03 -0.19 0.14 1.17 -1.18 0.00 0.00 179.01 178.98 1f8h n LYS 83 N -5.13 0.10 -3.64 1.92 4.81 -1.25 -5.11 118.16 109.87 1f8h n LYS 83 Ca -0.08 -0.64 -0.10 0.00 -0.87 0.00 0.00 58.31 56.62 1f8h n LYS 83 Cb 0.26 -0.07 -0.07 0.00 0.02 0.00 0.00 35.03 35.17 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 0.02 0.59 0.81 1.64 2.12 -1.16 -5.01 118.70 117.72 1f8h s GLU 84 Ca 0.15 0.71 -0.12 0.00 0.36 0.00 0.00 54.97 56.08 1f8h s GLU 84 Cb 0.23 0.28 0.08 0.00 0.26 0.00 0.00 34.13 34.98 1f8h s GLU 84 CO -0.16 -0.07 1.16 -1.25 -0.54 0.00 0.00 175.26 174.40 1f8h s PRO 85 N 0.33 1.94 -0.13 4.30 0.04 -1.26 -4.05 135.00 136.17 1f8h s PRO 85 Ca 0.02 0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.31 1f8h s PRO 85 Cb -0.05 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1f8h s PRO 85 CO -0.05 -1.63 -0.21 0.08 0.04 0.00 0.00 177.00 175.23 1f8h s VAL 86 N -3.47 1.94 0.39 -0.36 1.01 -1.26 -4.89 120.40 113.77 1f8h s VAL 86 Ca 0.62 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1f8h s VAL 86 Cb -0.12 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 1f8h s VAL 86 CO 0.50 0.53 0.79 -2.16 0.00 0.00 0.00 175.10 174.76 1f8h s PRO 87 N 0.76 3.89 -0.07 2.72 0.04 -1.26 -4.96 135.00 136.12 1f8h s PRO 87 Ca -0.09 0.61 0.07 0.00 0.04 0.00 0.00 61.00 61.63 1f8h s PRO 87 Cb -0.16 -2.37 0.32 0.00 0.04 0.00 0.00 34.50 32.33 1f8h s PRO 87 CO 0.00 0.00 1.06 -1.33 0.04 0.00 0.00 177.00 176.78 1f8h n MET 88 N -0.99 2.39 -3.79 4.56 2.81 -1.26 -4.71 117.12 116.12 1f8h n MET 88 Ca 0.03 -1.24 -0.36 0.00 -1.81 0.00 0.00 57.70 54.32 1f8h n MET 88 Cb 0.54 -1.68 -0.12 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 -0.48 5.24 -0.35 7.83 0.01 -1.26 -4.91 113.70 119.78 1f8h s SER 89 Ca 0.22 -2.05 -0.29 0.00 1.31 0.00 0.00 55.95 55.14 1f8h s SER 89 Cb 0.15 -1.82 -0.08 0.00 0.21 0.00 0.00 66.02 64.49 1f8h s SER 89 CO 0.08 -0.54 2.29 -0.11 0.41 0.00 0.00 173.24 175.38 1f8h n LEU 90 N 4.57 2.65 -4.74 2.44 0.00 -1.26 -4.91 117.00 115.75 1f8h n LEU 90 Ca -0.02 0.05 -0.31 0.00 0.00 0.00 0.00 56.01 55.73 1f8h n LEU 90 Cb 0.41 -1.48 0.12 0.00 0.00 0.00 0.00 43.42 42.47 1f8h n LEU 90 CO 0.33 -0.94 0.69 -2.16 0.00 0.00 0.00 177.39 175.30 1f8h s PRO 91 N 6.97 1.79 0.32 1.96 0.04 -1.26 -4.92 135.00 139.89 1f8h s PRO 91 Ca 1.03 1.10 0.26 0.00 0.04 0.00 0.00 61.00 63.44 1f8h s PRO 91 Cb -0.43 -1.85 0.97 0.00 0.04 0.00 0.00 34.50 33.23 1f8h s PRO 91 CO 0.36 -1.95 1.77 -1.00 0.04 0.00 0.00 177.00 176.22 1f8h h PRO 92 N -1.35 0.00 -0.91 0.56 0.13 -1.96 -2.78 132.00 125.69 1f8h h PRO 92 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1f8h h PRO 92 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 1f8h h PRO 92 CO 0.51 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.52 1f8h n ALA 93 N -1.86 3.96 0.00 -0.56 0.00 -1.26 -3.93 120.51 116.85 1f8h n ALA 93 Ca 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1f8h n ALA 93 Cb 0.31 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.16 0.23 -4.78 0.00 7.99 -1.05 0.23 117.00 119.47 1f8h n LEU 94 Ca 0.28 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.91 1f8h n LEU 94 Cb 1.05 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 44.30 1f8h n LEU 94 CO 0.30 0.04 0.59 0.68 -1.51 0.00 0.00 177.39 177.49 1f8h s VAL 95 N -1.57 4.26 1.01 4.08 -7.23 -1.25 -4.75 120.40 114.96 1f8h s VAL 95 Ca 0.00 1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 61.82 1f8h s VAL 95 Cb 0.00 -4.07 0.19 0.00 0.56 0.00 0.00 36.38 33.07 1f8h s VAL 95 CO 0.00 0.27 1.09 -2.16 -0.31 0.00 0.00 175.10 173.99 1f8h s PRO 96 N -1.75 0.34 -0.57 4.82 0.04 -1.26 -4.81 135.00 131.80 1f8h s PRO 96 Ca 0.45 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 1f8h s PRO 96 Cb -0.20 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1f8h s PRO 96 CO 0.25 -2.81 2.13 -0.35 0.04 0.00 0.00 177.00 176.26 1f8h n PRO 97 N -4.24 1.70 0.00 0.56 -0.04 -1.26 -3.02 135.00 128.69 1f8h n PRO 97 Ca 0.05 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1f8h n PRO 97 Cb 0.57 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.68 0.00 -0.65 3.54 2.88 -1.26 -4.79 113.62 117.02 1f8h n SER 98 Ca 0.36 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.99 1f8h n SER 98 Cb 0.26 0.07 0.27 0.00 -0.75 0.00 0.00 64.21 64.07 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 -2.22 1.83 0.00 -1.46 0.00 -1.17 -5.24 118.16 109.90 1f8h n LYS 99 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 58.31 57.07 1f8h n LYS 99 Cb 0.00 -1.35 0.19 0.00 0.00 0.00 0.00 35.03 33.87 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94