#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 3.43 0.58 0.54 -0.00 -1.24 -4.60 118.94 117.64 1f8h s TRP 7 Ca 0.00 0.77 0.31 0.00 -0.00 0.00 0.00 56.10 57.18 1f8h s TRP 7 Cb 0.00 -2.58 1.40 0.00 -0.00 0.00 0.00 33.47 32.29 1f8h s TRP 7 CO 0.00 0.03 1.74 0.00 -0.00 0.00 0.00 176.95 178.72 1f8h h ALA 8 N 7.14 2.68 -2.67 5.86 0.00 0.39 -3.39 119.26 129.27 1f8h h ALA 8 Ca -0.37 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 1f8h h ALA 8 Cb 1.17 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1f8h h ALA 8 CO 0.74 -1.21 -0.27 0.08 0.00 0.00 0.00 179.25 178.60 1f8h s VAL 9 N -4.70 5.11 0.42 0.00 1.01 -1.26 -4.98 120.40 116.01 1f8h s VAL 9 Ca -0.04 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1f8h s VAL 9 Cb 0.18 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1f8h s VAL 9 CO 0.63 0.01 0.46 -0.54 0.00 0.00 0.00 175.10 175.65 1f8h s LYS 10 N -2.69 2.64 0.29 2.72 1.02 -1.26 -4.95 119.74 117.49 1f8h s LYS 10 Ca 0.42 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 55.01 1f8h s LYS 10 Cb -0.12 -2.52 0.43 0.00 -0.52 0.00 0.00 37.83 35.10 1f8h s LYS 10 CO 0.24 -0.24 1.73 -1.00 -0.92 0.00 0.00 175.35 175.16 1f8h h PRO 11 N 0.87 0.47 0.00 -1.68 0.13 -1.98 0.02 132.00 129.83 1f8h h PRO 11 Ca -0.41 -0.17 -0.09 0.00 -0.87 0.00 0.00 66.00 64.46 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 0.53 0.68 -0.41 1.05 -0.23 0.00 0.00 178.00 179.61 1f8h h GLU 12 N 0.42 0.00 0.24 0.86 9.09 -1.99 -2.31 114.58 120.88 1f8h h GLU 12 Ca 0.06 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.14 1f8h h GLU 12 Cb 0.65 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.78 1f8h h GLU 12 CO 0.05 0.41 -1.52 -0.44 0.05 0.00 0.00 179.01 177.56 1f8h h ASP 13 N 0.00 0.78 0.59 3.06 3.32 -1.83 -3.10 116.42 119.24 1f8h h ASP 13 Ca -0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 1f8h h ASP 13 Cb 1.05 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1f8h h ASP 13 CO 0.05 1.72 0.00 1.17 -1.72 0.00 0.00 179.24 180.46 1f8h n LYS 14 N -3.71 0.13 0.07 3.56 0.00 -0.05 -0.41 118.16 117.74 1f8h n LYS 14 Ca -0.19 0.39 -0.11 0.00 0.00 0.00 0.00 58.31 58.39 1f8h n LYS 14 Cb 1.09 -1.75 -0.13 0.00 0.00 0.00 0.00 35.03 34.23 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 2.31 0.28 0.16 3.14 0.00 -1.34 -1.47 119.26 122.34 1f8h h ALA 15 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 54.91 53.62 1f8h h ALA 15 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1f8h h ALA 15 CO 0.00 1.16 -1.63 0.87 0.00 0.00 0.00 179.25 179.65 1f8h h LYS 16 N 0.03 0.34 0.00 0.00 1.57 -1.30 -2.59 116.57 114.61 1f8h h LYS 16 Ca -0.10 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.09 1f8h h LYS 16 Cb 1.89 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 34.41 1f8h h LYS 16 CO 0.16 1.23 -0.07 1.88 -0.57 0.00 0.00 179.45 182.07 1f8h h TYR 17 N 0.09 0.00 0.00 -1.35 -1.99 -0.80 -0.38 116.97 112.54 1f8h h TYR 17 Ca -0.29 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.34 1f8h h TYR 17 Cb 2.07 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.78 1f8h h TYR 17 CO 0.09 0.07 -0.89 0.22 -0.00 0.00 0.00 178.16 177.64 1f8h h ASP 18 N 0.00 0.00 0.73 3.88 1.82 -1.20 -1.49 116.42 120.16 1f8h h ASP 18 Ca -0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.38 1f8h h ASP 18 Cb 0.27 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1f8h h ASP 18 CO 0.01 0.37 -1.22 0.00 -1.61 0.00 0.00 179.24 176.79 1f8h h ALA 19 N 1.63 0.23 0.05 -0.78 0.00 -0.73 -0.53 119.26 119.13 1f8h h ALA 19 Ca -0.06 -0.94 -0.23 0.00 0.00 0.00 0.00 54.91 53.67 1f8h h ALA 19 Cb 1.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1f8h h ALA 19 CO 0.04 1.11 -1.07 0.82 0.00 0.00 0.00 179.25 180.15 1f8h h ILE 20 N 0.05 1.61 -0.19 0.00 2.04 -1.23 -1.03 117.51 118.76 1f8h h ILE 20 Ca -0.11 -3.20 -0.21 0.00 1.00 0.00 0.00 64.86 62.34 1f8h h ILE 20 Cb 1.91 2.83 0.01 0.00 -0.74 0.00 0.00 36.82 40.83 1f8h h ILE 20 CO 0.17 0.92 -0.70 0.15 0.00 0.00 0.00 178.15 178.69 1f8h h PHE 21 N 0.04 1.08 -0.03 1.37 3.04 -1.28 -2.88 116.94 118.28 1f8h h PHE 21 Ca -0.06 -0.45 0.00 0.00 3.98 0.00 0.00 57.97 61.44 1f8h h PHE 21 Cb 1.80 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.14 1f8h h PHE 21 CO 0.03 1.28 0.00 -3.47 -2.02 0.00 0.00 178.31 174.13 1f8h n ASP 22 N -3.97 0.91 -0.31 0.41 -0.08 -0.21 -3.25 116.55 110.05 1f8h n ASP 22 Ca -0.07 -1.38 0.12 0.00 -1.51 0.00 0.00 54.79 51.96 1f8h n ASP 22 Cb 0.71 -0.02 0.27 0.00 2.34 0.00 0.00 41.12 44.42 1f8h n ASP 22 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1f8h n SER 23 N -0.26 1.30 -0.18 1.67 2.88 -0.39 -3.70 113.62 114.93 1f8h n SER 23 Ca 0.19 -1.06 0.07 0.00 -1.33 0.00 0.00 58.87 56.74 1f8h n SER 23 Cb 0.25 0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.48 1.13 -1.29 2.46 4.77 -1.20 -5.04 117.00 117.34 1f8h n LEU 24 Ca 0.11 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1f8h n LEU 24 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1f8h n LEU 24 CO 0.27 0.23 0.00 -1.54 -1.33 0.00 0.00 177.39 175.02 1f8h n SER 25 N -0.66 -1.72 -4.79 -1.43 3.41 -1.24 -5.02 113.62 102.16 1f8h n SER 25 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 1f8h n SER 25 Cb 0.26 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1f8h s PRO 26 N -0.18 3.65 -0.33 4.33 0.04 -1.26 -4.88 135.00 136.36 1f8h s PRO 26 Ca 0.00 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1f8h s PRO 26 Cb 0.00 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.56 1f8h s PRO 26 CO 0.00 -0.58 0.05 0.08 0.04 0.00 0.00 177.00 176.59 1f8h s VAL 27 N -1.90 2.60 -0.51 -0.36 1.01 0.61 -4.58 120.40 117.28 1f8h s VAL 27 Ca 0.69 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1f8h s VAL 27 Cb -0.19 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1f8h s VAL 27 CO 0.22 -0.43 0.00 -3.20 0.00 0.00 0.00 175.10 171.69 1f8h n ASN 28 N 4.42 -4.99 -0.00 3.32 5.15 -1.26 -2.18 115.26 119.72 1f8h n ASN 28 Ca -0.04 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1f8h n ASN 28 Cb 0.42 -2.91 0.00 0.00 -0.53 0.00 0.00 39.78 36.76 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 -0.52 1.76 3.09 8.20 0.00 -1.26 -5.07 105.19 111.39 1f8h n GLY 29 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.21 -0.04 1.61 0.08 -0.93 -3.05 117.98 113.86 1f8h s PHE 30 Ca 0.00 -0.50 0.07 0.00 0.12 0.00 0.00 56.93 56.62 1f8h s PHE 30 Cb 0.00 -0.15 -0.01 0.00 -0.57 0.00 0.00 43.02 42.28 1f8h s PHE 30 CO 0.00 -0.33 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.03 1f8h s LEU 31 N -2.00 2.09 0.27 -0.37 1.43 -0.11 -0.28 118.68 119.71 1f8h s LEU 31 Ca -0.07 -0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.28 1f8h s LEU 31 Cb -0.03 -1.37 -0.09 0.00 0.03 0.00 0.00 46.19 44.73 1f8h s LEU 31 CO -0.04 0.28 0.91 -0.94 0.23 0.00 0.00 176.35 176.79 1f8h s SER 32 N -0.34 7.42 0.59 2.29 1.04 -1.26 0.14 113.70 123.57 1f8h s SER 32 Ca 0.02 1.82 0.35 0.00 0.48 0.00 0.00 55.95 58.62 1f8h s SER 32 Cb -0.12 -2.57 1.27 0.00 0.10 0.00 0.00 66.02 64.69 1f8h s SER 32 CO 0.02 0.04 1.47 1.23 0.98 0.00 0.00 173.24 176.98 1f8h h GLY 33 N 3.61 0.00 2.00 7.32 0.00 -1.76 2.52 103.07 116.75 1f8h h GLY 33 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1f8h h GLY 33 CO 0.66 0.00 -0.22 -1.80 0.00 0.00 0.00 176.54 175.18 1f8h h ASP 34 N 0.00 0.00 0.29 0.19 3.58 -1.89 2.06 116.42 120.65 1f8h h ASP 34 Ca 0.61 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.74 1f8h h ASP 34 Cb 3.01 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 44.01 1f8h h ASP 34 CO -0.01 0.22 -1.93 0.29 -2.88 0.00 0.00 179.24 174.93 1f8h n LYS 35 N -3.88 0.67 0.02 0.28 5.02 0.84 -4.12 118.16 116.99 1f8h n LYS 35 Ca -0.02 0.23 -0.20 0.00 -2.02 0.00 0.00 58.31 56.31 1f8h n LYS 35 Cb 0.31 -1.71 -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 1.36 -0.75 -0.18 2.07 -1.09 -3.13 116.25 114.56 1f8h h VAL 36 Ca -0.38 -2.46 0.13 0.00 0.82 0.00 0.00 66.70 64.81 1f8h h VAL 36 Cb 2.05 3.03 -0.14 0.00 -1.52 0.00 0.00 31.29 34.71 1f8h h VAL 36 CO 0.06 0.68 -0.30 0.50 0.02 0.00 0.00 177.57 178.53 1f8h h LYS 37 N -0.44 -0.07 -0.25 1.57 3.64 0.31 0.82 116.57 122.15 1f8h h LYS 37 Ca -0.19 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1f8h h LYS 37 Cb 1.60 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.42 1f8h h LYS 37 CO 0.09 -0.05 -0.14 -1.00 -2.27 0.00 0.00 179.45 176.08 1f8h h PRO 38 N -0.08 0.42 -0.60 1.90 0.13 -1.72 0.80 132.00 132.85 1f8h h PRO 38 Ca 0.31 -0.12 -0.07 0.00 -0.87 0.00 0.00 66.00 65.25 1f8h h PRO 38 Cb 0.57 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 1f8h h PRO 38 CO -0.79 0.56 0.11 0.28 -0.23 0.00 0.00 178.00 177.93 1f8h h VAL 39 N 0.39 1.25 0.00 1.56 2.07 0.40 0.32 116.25 122.23 1f8h h VAL 39 Ca 0.07 -0.95 -0.23 0.00 0.82 0.00 0.00 66.70 66.42 1f8h h VAL 39 Cb 0.49 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1f8h h VAL 39 CO 0.03 0.35 -1.14 -0.07 0.02 0.00 0.00 177.57 176.76 1f8h h LEU 40 N 0.92 0.00 -0.39 2.57 3.38 0.77 -3.12 115.31 119.45 1f8h h LEU 40 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1f8h h LEU 40 Cb 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1f8h h LEU 40 CO 0.01 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.72 1f8h n LEU 41 N -3.29 0.60 -0.04 1.67 4.77 0.27 -2.16 117.00 118.82 1f8h n LEU 41 Ca -0.03 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 1f8h n LEU 41 Cb 0.96 -0.49 0.33 0.00 -2.33 0.00 0.00 43.42 41.90 1f8h n LEU 41 CO 0.47 -0.39 0.57 0.59 -1.33 0.00 0.00 177.39 177.30 1f8h n ASN 42 N -2.13 0.51 -0.01 -1.43 3.02 0.06 -3.71 115.26 111.59 1f8h n ASN 42 Ca 0.04 -0.27 0.01 0.00 -0.03 0.00 0.00 54.58 54.32 1f8h n ASN 42 Cb 0.29 0.13 0.05 0.00 -0.61 0.00 0.00 39.78 39.64 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1f8h n SER 43 N -1.35 0.01 -0.30 6.41 3.41 -0.92 -4.82 113.62 116.07 1f8h n SER 43 Ca 0.07 -1.95 -0.04 0.00 -0.26 0.00 0.00 58.87 56.70 1f8h n SER 43 Cb 0.33 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.52 -1.17 -3.79 4.33 4.81 -1.24 -4.84 118.16 115.73 1f8h n LYS 44 Ca 0.01 0.51 -0.28 0.00 -0.87 0.00 0.00 58.31 57.68 1f8h n LYS 44 Cb 0.01 -4.49 -0.03 0.00 0.02 0.00 0.00 35.03 30.53 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 -0.89 4.28 0.95 3.14 1.43 -1.26 -5.09 118.68 121.24 1f8h s LEU 45 Ca 0.00 0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1f8h s LEU 45 Cb 0.00 -3.08 0.16 0.00 0.03 0.00 0.00 46.19 43.30 1f8h s LEU 45 CO 0.00 0.03 1.16 -2.16 0.23 0.00 0.00 176.35 175.60 1f8h s PRO 46 N -3.10 0.82 0.00 1.29 0.04 -1.26 -4.77 135.00 128.02 1f8h s PRO 46 Ca 0.37 0.17 0.15 0.00 0.04 0.00 0.00 61.00 61.73 1f8h s PRO 46 Cb -0.11 -1.81 0.76 0.00 0.04 0.00 0.00 34.50 33.37 1f8h s PRO 46 CO 0.28 -2.39 1.43 0.28 0.04 0.00 0.00 177.00 176.64 1f8h n VAL 47 N -3.88 0.60 0.08 -0.36 0.31 -1.26 -2.14 118.33 111.69 1f8h n VAL 47 Ca 0.08 0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.49 1f8h n VAL 47 Cb 0.59 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.09 0.17 4.52 3.58 -1.96 0.66 116.42 123.48 1f8h h ASP 48 Ca 0.00 -0.08 -0.33 0.00 0.42 0.00 0.00 57.03 57.04 1f8h h ASP 48 Cb 0.15 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.18 1f8h h ASP 48 CO 0.00 0.95 -1.63 0.40 -2.88 0.00 0.00 179.24 176.08 1f8h h ILE 49 N 0.03 0.98 0.00 2.25 1.08 -1.78 -3.08 117.51 116.99 1f8h h ILE 49 Ca -0.03 -2.48 -0.13 0.00 -0.39 0.00 0.00 64.86 61.83 1f8h h ILE 49 Cb 1.59 2.77 -0.02 0.00 -3.07 0.00 0.00 36.82 38.09 1f8h h ILE 49 CO 0.13 0.81 -0.60 -0.07 -0.69 0.00 0.00 178.15 177.73 1f8h h LEU 50 N -0.02 0.00 -1.55 1.44 3.38 -1.57 1.99 115.31 118.98 1f8h h LEU 50 Ca -0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1f8h h LEU 50 Cb 2.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.74 1f8h h LEU 50 CO 0.15 0.60 -0.15 1.23 0.09 0.00 0.00 178.44 180.36 1f8h h GLY 51 N 2.14 0.00 0.00 0.83 0.00 0.25 -0.51 103.07 105.78 1f8h h GLY 51 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1f8h h GLY 51 CO 0.08 0.00 -2.38 -2.13 0.00 0.00 0.00 176.54 172.10 1f8h n ARG 52 N -3.44 0.67 -0.26 4.80 0.63 -0.81 -3.80 116.66 114.45 1f8h n ARG 52 Ca -0.01 0.11 -0.06 0.00 -0.92 0.00 0.00 57.85 56.97 1f8h n ARG 52 Cb 0.32 -1.49 0.06 0.00 0.45 0.00 0.00 32.46 31.81 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 1.26 0.09 5.15 2.07 0.33 -1.15 116.25 124.00 1f8h h VAL 53 Ca -0.54 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 1f8h h VAL 53 Cb 1.92 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1f8h h VAL 53 CO -0.06 0.36 -0.04 -0.25 0.02 0.00 0.00 177.57 177.59 1f8h h TRP 54 N 1.10 -0.11 0.10 1.57 2.91 -1.30 -0.38 115.95 119.84 1f8h h TRP 54 Ca 0.24 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.28 1f8h h TRP 54 Cb 0.32 0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.96 1f8h h TRP 54 CO 0.03 0.24 -0.37 0.93 -1.03 0.00 0.00 178.44 178.23 1f8h h GLU 55 N -0.48 -0.56 0.00 2.65 5.08 -1.62 2.89 114.58 122.54 1f8h h GLU 55 Ca -0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1f8h h GLU 55 Cb 0.40 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1f8h h GLU 55 CO 0.02 -0.38 0.00 -0.07 -1.00 0.00 0.00 179.01 177.58 1f8h h LEU 56 N -0.59 0.00 0.03 1.33 3.38 -1.24 -1.05 115.31 117.18 1f8h h LEU 56 Ca 0.03 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.66 1f8h h LEU 56 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1f8h h LEU 56 CO -0.23 0.00 -2.03 -1.20 0.09 0.00 0.00 178.44 175.07 1f8h n SER 57 N -2.31 1.17 -3.55 -0.43 7.64 0.24 -4.58 113.62 111.80 1f8h n SER 57 Ca -0.01 0.20 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 1f8h n SER 57 Cb 0.06 -0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.10 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 -3.13 2.22 -0.21 6.43 -0.08 0.90 -4.55 116.55 118.14 1f8h n ASP 58 Ca -0.28 -2.59 0.29 0.00 -1.51 0.00 0.00 54.79 50.70 1f8h n ASP 58 Cb 1.07 -0.94 0.72 0.00 2.34 0.00 0.00 41.12 44.30 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 4.52 0.53 0.00 5.18 1.08 -1.81 0.30 117.51 127.32 1f8h h ILE 59 Ca 0.38 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.84 1f8h h ILE 59 Cb 0.63 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1f8h h ILE 59 CO 1.93 0.00 -1.19 -0.67 -0.69 0.00 0.00 178.15 177.53 1f8h n ASP 60 N -4.27 1.20 -3.63 1.72 2.03 -1.26 -5.01 116.55 107.33 1f8h n ASP 60 Ca 0.20 -0.39 -0.22 0.00 0.52 0.00 0.00 54.79 54.90 1f8h n ASP 60 Cb 1.00 1.35 0.06 0.00 -0.72 0.00 0.00 41.12 42.81 1f8h n ASP 60 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1f8h n HIS 61 N -1.69 -2.32 -1.32 -0.67 8.25 0.09 -4.89 115.22 112.67 1f8h n HIS 61 Ca -0.00 0.93 -0.11 0.00 -0.26 0.00 0.00 57.72 58.28 1f8h n HIS 61 Cb 0.30 -4.71 0.20 0.00 1.12 0.00 0.00 29.99 26.90 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 -3.03 3.18 -1.43 0.41 5.75 -1.26 -4.87 116.55 115.30 1f8h n ASP 62 Ca -0.16 -3.64 -0.14 0.00 -0.01 0.00 0.00 54.79 50.84 1f8h n ASP 62 Cb 0.62 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.03 0.47 3.31 6.12 0.00 -1.26 -4.97 105.19 107.84 1f8h n GLY 63 Ca 0.43 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.11 1.06 -0.25 1.61 -1.94 -1.26 -2.05 119.30 112.35 1f8h s MET 64 Ca 0.00 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1f8h s MET 64 Cb 0.00 0.43 0.06 0.00 2.01 0.00 0.00 34.83 37.32 1f8h s MET 64 CO 0.00 -0.40 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.01 1f8h s LEU 65 N -2.85 3.10 0.89 -0.03 1.43 0.36 -4.72 118.68 116.85 1f8h s LEU 65 Ca 0.06 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 51.75 1f8h s LEU 65 Cb 0.03 -1.41 0.12 0.00 0.03 0.00 0.00 46.19 44.95 1f8h s LEU 65 CO -0.09 -0.20 1.09 -0.62 0.23 0.00 0.00 176.35 176.76 1f8h s ASP 66 N 1.21 3.51 0.53 2.29 -1.08 -1.26 -0.93 116.67 120.94 1f8h s ASP 66 Ca -0.07 1.60 0.34 0.00 -0.52 0.00 0.00 52.55 53.89 1f8h s ASP 66 Cb -0.19 -2.27 1.50 0.00 -1.46 0.00 0.00 42.92 40.50 1f8h s ASP 66 CO -0.06 -2.63 1.84 0.08 0.52 0.00 0.00 175.17 174.92 1f8h h ARG 67 N -1.54 0.02 0.06 4.34 0.11 -1.92 1.79 114.38 117.24 1f8h h ARG 67 Ca -0.48 -0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.30 1f8h h ARG 67 Cb 1.27 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.32 1f8h h ARG 67 CO 0.53 0.02 -1.60 0.22 0.10 0.00 0.00 179.97 179.23 1f8h h ASP 68 N 0.02 0.20 -0.01 0.08 1.82 -1.88 -3.14 116.42 113.51 1f8h h ASP 68 Ca 0.51 -0.34 -0.16 0.00 -0.39 0.00 0.00 57.03 56.65 1f8h h ASP 68 Cb 2.02 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 41.97 1f8h h ASP 68 CO -0.02 1.29 -0.63 -0.33 -1.61 0.00 0.00 179.24 177.94 1f8h h GLU 69 N 0.04 0.45 -0.74 0.28 5.08 -0.55 -2.95 114.58 116.19 1f8h h GLU 69 Ca -0.26 -0.47 0.15 0.00 -1.00 0.00 0.00 59.36 57.78 1f8h h GLU 69 Cb 1.99 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.32 1f8h h GLU 69 CO 0.12 1.12 0.50 0.35 -1.00 0.00 0.00 179.01 180.09 1f8h h PHE 70 N -0.04 0.46 0.68 4.33 3.04 0.24 -1.67 116.94 123.98 1f8h h PHE 70 Ca -0.08 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 1f8h h PHE 70 Cb 1.33 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1f8h h PHE 70 CO 0.14 0.18 -0.36 0.00 -2.02 0.00 0.00 178.31 176.24 1f8h h ALA 71 N 1.65 -0.97 -0.22 2.41 0.00 -1.46 -1.34 119.26 119.33 1f8h h ALA 71 Ca 0.36 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1f8h h ALA 71 Cb 0.85 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1f8h h ALA 71 CO -0.11 -1.05 0.44 0.28 0.00 0.00 0.00 179.25 178.80 1f8h h VAL 72 N -0.96 0.17 0.00 0.00 2.07 -1.24 0.39 116.25 116.68 1f8h h VAL 72 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1f8h h VAL 72 Cb 0.76 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1f8h h VAL 72 CO 0.12 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.25 1f8h n ALA 73 N -2.09 3.43 -0.03 1.67 0.00 -0.55 -3.19 120.51 119.74 1f8h n ALA 73 Ca 0.03 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1f8h n ALA 73 Cb 0.55 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 0.17 0.00 0.00 0.00 0.29 -3.04 114.93 112.35 1f8h h MET 74 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 59.70 59.42 1f8h h MET 74 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 31.60 32.22 1f8h h MET 74 CO 0.00 1.14 0.00 0.27 0.00 0.00 0.00 176.91 178.32 1f8h h PHE 75 N -0.39 0.00 0.00 -0.22 -0.00 -1.71 -0.28 116.94 114.34 1f8h h PHE 75 Ca -0.38 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.48 1f8h h PHE 75 Cb 1.72 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.66 1f8h h PHE 75 CO 0.09 0.00 -0.53 -0.07 -0.00 0.00 0.00 178.31 177.80 1f8h h LEU 76 N 0.00 0.00 0.09 2.10 3.38 -1.67 -2.59 115.31 116.63 1f8h h LEU 76 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1f8h h LEU 76 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1f8h h LEU 76 CO 0.00 0.53 -1.93 0.52 0.09 0.00 0.00 178.44 177.65 1f8h n VAL 77 N -3.26 1.72 0.24 1.22 0.31 -1.04 -3.72 118.33 113.80 1f8h n VAL 77 Ca 0.02 -0.55 0.10 0.00 -0.01 0.00 0.00 64.34 63.90 1f8h n VAL 77 Cb 0.73 -1.77 0.60 0.00 -0.91 0.00 0.00 33.84 32.50 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 -0.13 0.00 0.00 3.52 0.05 -1.15 -1.61 116.97 117.66 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 1.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.64 1f8h h TYR 78 CO 0.07 0.19 -0.01 0.00 -1.05 0.00 0.00 178.16 177.37 1f8h n ALA 80 N -1.79 3.38 -0.02 0.00 0.00 -0.61 0.49 120.51 121.97 1f8h n ALA 80 Ca 0.06 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1f8h n ALA 80 Cb 0.43 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.51 2.51 0.07 0.00 4.77 -1.11 -4.39 117.00 117.35 1f8h n LEU 81 Ca 0.06 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1f8h n LEU 81 Cb 0.34 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.25 1f8h n LEU 81 CO 0.34 0.76 0.52 -0.33 -1.33 0.00 0.00 177.39 177.35 1f8h h GLU 82 N -0.12 -0.22 0.00 3.23 4.39 -1.67 -3.47 114.58 116.72 1f8h h GLU 82 Ca -0.42 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1f8h h GLU 82 Cb 1.91 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1f8h h GLU 82 CO 0.03 0.18 0.00 1.17 -1.16 0.00 0.00 179.01 179.23 1f8h n LYS 83 N -4.98 0.00 -2.02 2.33 4.81 -1.18 -5.11 118.16 112.00 1f8h n LYS 83 Ca -0.09 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.93 1f8h n LYS 83 Cb 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.28 1f8h n LYS 83 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1f8h s GLU 84 N 0.00 3.92 1.13 1.64 2.56 0.18 -4.91 118.70 123.22 1f8h s GLU 84 Ca 0.00 1.94 -0.18 0.00 0.00 0.00 0.00 54.97 56.73 1f8h s GLU 84 Cb 0.00 -4.05 0.26 0.00 2.00 0.00 0.00 34.13 32.35 1f8h s GLU 84 CO 0.00 -1.16 1.17 -1.25 -0.56 0.00 0.00 175.26 173.47 1f8h s PRO 85 N 4.53 -0.67 -0.11 4.30 0.04 -1.26 -2.39 135.00 139.43 1f8h s PRO 85 Ca 0.75 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1f8h s PRO 85 Cb -0.30 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1f8h s PRO 85 CO 0.30 -3.33 -0.09 0.08 0.04 0.00 0.00 177.00 174.00 1f8h s VAL 86 N -3.28 1.14 0.64 -0.36 1.01 -1.26 -4.83 120.40 113.47 1f8h s VAL 86 Ca 0.72 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 1f8h s VAL 86 Cb -0.08 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1f8h s VAL 86 CO 0.55 0.38 0.96 -2.16 0.00 0.00 0.00 175.10 174.83 1f8h s PRO 87 N 1.53 2.66 -0.05 2.72 0.04 -1.26 -4.97 135.00 135.67 1f8h s PRO 87 Ca 0.02 -0.06 0.10 0.00 0.04 0.00 0.00 61.00 61.10 1f8h s PRO 87 Cb -0.13 -2.22 0.38 0.00 0.04 0.00 0.00 34.50 32.57 1f8h s PRO 87 CO -0.07 -0.92 1.23 -1.33 0.04 0.00 0.00 177.00 175.95 1f8h n MET 88 N -2.73 2.38 -3.66 4.56 2.81 -1.26 -4.74 117.12 114.48 1f8h n MET 88 Ca 0.06 -1.50 -0.39 0.00 -1.81 0.00 0.00 57.70 54.06 1f8h n MET 88 Cb 0.59 -1.56 -0.10 0.00 -0.71 0.00 0.00 33.22 31.43 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 -0.75 5.49 -0.27 7.83 0.01 -1.26 -4.86 113.70 119.89 1f8h s SER 89 Ca 0.27 -1.69 -0.28 0.00 1.31 0.00 0.00 55.95 55.56 1f8h s SER 89 Cb 0.17 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1f8h s SER 89 CO 0.14 -0.54 2.08 -0.22 0.41 0.00 0.00 173.24 175.10 1f8h s LEU 90 N 1.33 3.46 0.52 2.44 2.96 -1.26 -4.91 118.68 123.21 1f8h s LEU 90 Ca 0.04 1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 55.38 1f8h s LEU 90 Cb -0.23 -3.47 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1f8h s LEU 90 CO -0.00 -1.91 1.23 -2.16 -1.32 0.00 0.00 176.35 172.19 1f8h s PRO 91 N 6.19 3.39 0.00 0.98 0.04 -1.26 -4.89 135.00 139.45 1f8h s PRO 91 Ca 0.93 1.92 0.16 0.00 0.04 0.00 0.00 61.00 64.05 1f8h s PRO 91 Cb -0.29 -2.25 0.78 0.00 0.04 0.00 0.00 34.50 32.79 1f8h s PRO 91 CO 0.34 -0.89 1.50 -0.35 0.04 0.00 0.00 177.00 177.64 1f8h n PRO 92 N -0.91 0.15 0.03 0.56 -0.04 -1.26 -1.69 135.00 131.84 1f8h n PRO 92 Ca 0.10 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1f8h n PRO 92 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 1f8h n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f8h h ALA 93 N 2.70 0.50 0.00 0.55 0.00 -1.90 -3.28 119.26 117.83 1f8h h ALA 93 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1f8h h ALA 93 Cb 0.20 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f8h h ALA 93 CO 0.00 1.36 -1.20 -0.11 0.00 0.00 0.00 179.25 179.30 1f8h n LEU 94 N -3.25 0.60 -4.77 0.00 -0.00 -0.97 0.28 117.00 108.90 1f8h n LEU 94 Ca -0.08 0.16 -0.39 0.00 -0.00 0.00 0.00 56.01 55.69 1f8h n LEU 94 Cb 0.99 -0.06 -0.02 0.00 -0.00 0.00 0.00 43.42 44.33 1f8h n LEU 94 CO 0.47 -0.08 0.89 0.54 -0.00 0.00 0.00 177.39 179.21 1f8h s VAL 95 N -3.34 2.98 0.83 1.96 0.11 -0.68 -4.61 120.40 117.65 1f8h s VAL 95 Ca -0.01 0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 59.83 1f8h s VAL 95 Cb 0.12 -3.53 0.09 0.00 -1.53 0.00 0.00 36.38 31.52 1f8h s VAL 95 CO 0.81 0.14 1.09 -2.16 -3.33 0.00 0.00 175.10 171.66 1f8h s PRO 96 N -2.05 1.84 0.23 1.54 0.04 -1.26 -4.90 135.00 130.44 1f8h s PRO 96 Ca 0.53 0.81 0.05 0.00 0.04 0.00 0.00 61.00 62.43 1f8h s PRO 96 Cb -0.35 -1.88 0.23 0.00 0.04 0.00 0.00 34.50 32.55 1f8h s PRO 96 CO 0.45 -1.84 1.54 -1.00 0.04 0.00 0.00 177.00 176.19 1f8h h PRO 97 N -1.25 0.21 0.00 0.56 0.13 -1.96 -2.99 132.00 126.70 1f8h h PRO 97 Ca -0.47 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 1f8h h PRO 97 Cb 1.26 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1f8h h PRO 97 CO 0.56 0.78 -0.09 0.77 -0.23 0.00 0.00 178.00 179.79 1f8h h SER 98 N 0.15 0.00 -0.58 1.44 0.02 -2.04 -0.35 113.55 112.20 1f8h h SER 98 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1f8h h SER 98 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1f8h h SER 98 CO 0.10 0.09 0.00 1.17 -1.14 0.00 0.00 176.83 177.05 1f8h n LYS 99 N -3.60 3.01 0.00 3.45 0.00 -1.13 -5.26 118.16 114.62 1f8h n LYS 99 Ca -0.02 -2.36 0.14 0.00 0.00 0.00 0.00 58.31 56.07 1f8h n LYS 99 Cb 0.21 -1.69 0.43 0.00 0.00 0.00 0.00 35.03 33.99 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94