#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8h n TRP 7 N 0.00 2.74 -0.53 0.54 -0.00 -1.26 -4.77 117.44 114.16 1f8h n TRP 7 Ca 0.00 0.03 0.41 0.00 -0.00 0.00 0.00 57.50 57.94 1f8h n TRP 7 Cb 0.00 -2.68 0.63 0.00 -0.00 0.00 0.00 31.31 29.27 1f8h n TRP 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1f8h n ALA 8 N 4.03 1.44 -2.73 5.87 0.00 0.26 -3.95 120.51 125.43 1f8h n ALA 8 Ca 0.16 0.55 -0.36 0.00 0.00 0.00 0.00 53.44 53.79 1f8h n ALA 8 Cb 0.35 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 1f8h n ALA 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f8h s VAL 9 N -4.54 5.35 0.79 0.00 1.01 -1.26 -5.07 120.40 116.68 1f8h s VAL 9 Ca -0.04 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 1f8h s VAL 9 Cb 0.22 -3.56 0.17 0.00 0.00 0.00 0.00 36.38 33.21 1f8h s VAL 9 CO 0.70 0.41 1.08 0.29 0.00 0.00 0.00 175.10 177.58 1f8h n LYS 10 N 3.55 -0.60 -0.00 2.72 4.01 -1.25 -4.87 118.16 121.71 1f8h n LYS 10 Ca -0.14 -2.26 -0.09 0.00 -0.51 0.00 0.00 58.31 55.31 1f8h n LYS 10 Cb 0.52 -0.93 0.06 0.00 -0.51 0.00 0.00 35.03 34.17 1f8h n LYS 10 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1f8h h PRO 11 N 0.00 0.57 0.00 1.97 0.13 -1.98 -1.41 132.00 131.29 1f8h h PRO 11 Ca -0.35 -0.34 -0.04 0.00 -0.87 0.00 0.00 66.00 64.39 1f8h h PRO 11 Cb 1.13 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1f8h h PRO 11 CO 0.31 0.95 -0.21 1.05 -0.23 0.00 0.00 178.00 179.87 1f8h h GLU 12 N 0.45 0.00 0.17 0.86 4.11 -2.00 -2.41 114.58 115.76 1f8h h GLU 12 Ca 0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.14 1f8h h GLU 12 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1f8h h GLU 12 CO 0.10 0.21 -1.42 -0.44 0.07 0.00 0.00 179.01 177.53 1f8h h ASP 13 N 0.00 0.55 1.15 3.06 3.32 -1.87 -3.13 116.42 119.51 1f8h h ASP 13 Ca -0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1f8h h ASP 13 Cb 0.93 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1f8h h ASP 13 CO 0.03 1.51 0.00 0.50 -1.72 0.00 0.00 179.24 179.56 1f8h h LYS 14 N 0.10 0.00 0.12 3.56 3.11 -1.19 -2.35 116.57 119.92 1f8h h LYS 14 Ca -0.21 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.35 1f8h h LYS 14 Cb 2.05 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 33.31 1f8h h LYS 14 CO 0.21 0.00 -1.16 0.00 -2.81 0.00 0.00 179.45 175.69 1f8h h ALA 15 N 2.22 -0.02 0.00 5.00 0.00 -1.41 -1.59 119.26 123.47 1f8h h ALA 15 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 1f8h h ALA 15 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1f8h h ALA 15 CO 0.00 0.63 -0.47 1.57 0.00 0.00 0.00 179.25 180.98 1f8h h LYS 16 N 0.18 0.00 -0.02 0.00 2.10 -1.48 -2.81 116.57 114.54 1f8h h LYS 16 Ca -0.18 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.30 1f8h h LYS 16 Cb 1.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.17 1f8h h LYS 16 CO 0.22 0.47 -0.77 1.88 -2.00 0.00 0.00 179.45 179.25 1f8h h TYR 17 N 0.00 0.22 0.00 0.07 0.05 -1.41 -2.87 116.97 113.03 1f8h h TYR 17 Ca -0.00 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1f8h h TYR 17 Cb 1.07 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.78 1f8h h TYR 17 CO 0.00 0.86 0.00 0.22 -1.05 0.00 0.00 178.16 178.19 1f8h h ASP 18 N 0.10 0.00 0.44 3.88 1.82 -1.04 0.81 116.42 122.43 1f8h h ASP 18 Ca -0.02 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.31 1f8h h ASP 18 Cb 1.35 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.37 1f8h h ASP 18 CO 0.11 0.00 -1.47 0.00 -1.61 0.00 0.00 179.24 176.27 1f8h h ALA 19 N 2.12 0.14 0.00 -0.78 0.00 -1.31 -0.16 119.26 119.26 1f8h h ALA 19 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 54.91 53.73 1f8h h ALA 19 Cb 0.60 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1f8h h ALA 19 CO 0.00 1.01 -0.79 0.82 0.00 0.00 0.00 179.25 180.29 1f8h h ILE 20 N 0.09 1.45 0.02 0.00 2.04 -1.33 0.51 117.51 120.28 1f8h h ILE 20 Ca -0.23 -2.82 -0.26 0.00 1.00 0.00 0.00 64.86 62.55 1f8h h ILE 20 Cb 2.04 2.57 0.02 0.00 -0.74 0.00 0.00 36.82 40.71 1f8h h ILE 20 CO 0.19 0.77 -1.05 0.15 0.00 0.00 0.00 178.15 178.22 1f8h h PHE 21 N 0.00 0.87 -0.16 1.37 3.04 -0.87 -3.09 116.94 118.10 1f8h h PHE 21 Ca -0.01 -0.49 0.00 0.00 3.98 0.00 0.00 57.97 61.45 1f8h h PHE 21 Cb 1.51 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.93 1f8h h PHE 21 CO 0.00 1.33 0.00 -3.47 -2.02 0.00 0.00 178.31 174.15 1f8h n ASP 22 N -3.79 1.74 -0.41 0.41 -0.08 -0.07 -3.49 116.55 110.85 1f8h n ASP 22 Ca -0.10 -1.70 0.13 0.00 -1.51 0.00 0.00 54.79 51.61 1f8h n ASP 22 Cb 0.89 -0.10 0.30 0.00 2.34 0.00 0.00 41.12 44.55 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 0.37 1.52 -0.18 1.67 2.88 0.16 -3.72 113.62 116.32 1f8h n SER 23 Ca 0.17 -1.25 0.03 0.00 -1.33 0.00 0.00 58.87 56.48 1f8h n SER 23 Cb 0.35 0.17 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.16 1.14 -1.51 2.46 4.77 -1.23 -5.05 117.00 117.42 1f8h n LEU 24 Ca 0.13 -0.83 -0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1f8h n LEU 24 Cb 0.40 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1f8h n LEU 24 CO 0.24 0.24 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.33 1f8h n SER 25 N -0.14 -2.02 -4.78 -1.43 7.64 -1.24 -5.01 113.62 106.64 1f8h n SER 25 Ca 0.03 0.01 -0.34 0.00 1.01 0.00 0.00 58.87 59.58 1f8h n SER 25 Cb 0.15 -1.04 0.01 0.00 -1.01 0.00 0.00 64.21 62.32 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 -0.55 3.25 -0.39 1.43 0.04 -1.26 -4.87 135.00 132.66 1f8h s PRO 26 Ca -0.00 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.51 1f8h s PRO 26 Cb 0.00 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1f8h s PRO 26 CO 0.01 -0.89 0.11 0.08 0.04 0.00 0.00 177.00 176.34 1f8h s VAL 27 N -2.09 2.35 -0.07 -0.36 1.01 0.14 -4.64 120.40 116.73 1f8h s VAL 27 Ca 0.69 -2.61 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1f8h s VAL 27 Cb -0.20 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1f8h s VAL 27 CO 0.32 -0.65 0.00 -0.46 0.00 0.00 0.00 175.10 174.30 1f8h n ASN 28 N 3.95 -4.68 0.00 3.32 6.94 -1.26 -2.61 115.26 120.91 1f8h n ASN 28 Ca 0.04 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1f8h n ASN 28 Cb 0.39 -2.24 0.00 0.00 -2.36 0.00 0.00 39.78 35.57 1f8h n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f8h n GLY 29 N -0.78 1.59 3.27 4.83 0.00 -1.26 -5.08 105.19 107.76 1f8h n GLY 29 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.24 -0.07 1.61 0.08 -1.07 -3.62 117.98 112.66 1f8h s PHE 30 Ca 0.00 0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.48 1f8h s PHE 30 Cb 0.00 0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.57 1f8h s PHE 30 CO 0.00 -0.42 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.98 1f8h s LEU 31 N -1.29 2.29 0.34 -0.37 1.43 -0.35 0.23 118.68 120.95 1f8h s LEU 31 Ca -0.13 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 1f8h s LEU 31 Cb -0.05 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.63 1f8h s LEU 31 CO 0.05 0.24 0.98 -0.44 0.23 0.00 0.00 176.35 177.41 1f8h s SER 32 N -0.09 7.20 0.57 2.29 0.01 -1.26 0.61 113.70 123.03 1f8h s SER 32 Ca -0.05 1.92 0.40 0.00 1.31 0.00 0.00 55.95 59.53 1f8h s SER 32 Cb -0.14 -2.59 1.46 0.00 0.21 0.00 0.00 66.02 64.96 1f8h s SER 32 CO 0.04 -0.17 1.57 1.23 0.41 0.00 0.00 173.24 176.33 1f8h h GLY 33 N 3.08 0.00 1.16 3.44 0.00 -1.92 2.17 103.07 111.01 1f8h h GLY 33 Ca -0.47 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.94 1f8h h GLY 33 CO 0.65 0.00 0.34 -0.55 0.00 0.00 0.00 176.54 176.98 1f8h h ASP 34 N 0.00 0.00 0.00 0.19 5.19 -1.89 2.49 116.42 122.40 1f8h h ASP 34 Ca 0.68 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.80 1f8h h ASP 34 Cb 3.04 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 42.49 1f8h h ASP 34 CO -0.01 0.00 -2.10 0.29 -3.12 0.00 0.00 179.24 174.30 1f8h n LYS 35 N -3.67 1.17 0.00 3.56 5.02 0.73 -4.49 118.16 120.49 1f8h n LYS 35 Ca 0.04 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 1f8h n LYS 35 Cb 0.48 -1.41 -0.14 0.00 -0.02 0.00 0.00 35.03 33.95 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 1.18 -0.73 -0.18 2.07 -0.70 -3.14 116.25 114.75 1f8h h VAL 36 Ca -0.44 -2.41 0.13 0.00 0.82 0.00 0.00 66.70 64.80 1f8h h VAL 36 Cb 1.90 2.83 -0.13 0.00 -1.52 0.00 0.00 31.29 34.37 1f8h h VAL 36 CO -0.00 0.67 -0.33 0.50 0.02 0.00 0.00 177.57 178.43 1f8h h LYS 37 N -0.41 -0.09 -0.21 1.57 3.64 0.40 0.60 116.57 122.06 1f8h h LYS 37 Ca -0.25 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1f8h h LYS 37 Cb 1.65 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1f8h h LYS 37 CO 0.06 -0.06 -0.26 -1.00 -2.27 0.00 0.00 179.45 175.91 1f8h h PRO 38 N -0.10 0.39 -0.38 1.90 0.13 -1.73 0.05 132.00 132.28 1f8h h PRO 38 Ca 0.28 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 1f8h h PRO 38 Cb 0.57 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1f8h h PRO 38 CO -0.78 0.63 0.06 0.28 -0.23 0.00 0.00 178.00 177.95 1f8h h VAL 39 N 0.35 1.19 0.00 1.56 2.07 0.01 -2.12 116.25 119.31 1f8h h VAL 39 Ca 0.05 -0.71 -0.19 0.00 0.82 0.00 0.00 66.70 66.68 1f8h h VAL 39 Cb 0.65 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1f8h h VAL 39 CO 0.05 0.25 -1.19 -0.07 0.02 0.00 0.00 177.57 176.63 1f8h h LEU 40 N 0.55 0.00 -0.07 2.57 3.38 0.19 -3.24 115.31 118.69 1f8h h LEU 40 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1f8h h LEU 40 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1f8h h LEU 40 CO 0.00 0.73 0.00 0.18 0.09 0.00 0.00 178.44 179.44 1f8h n LEU 41 N -3.09 0.14 -0.22 1.67 4.77 -0.04 -2.35 117.00 117.88 1f8h n LEU 41 Ca -0.07 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 1f8h n LEU 41 Cb 0.88 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.88 1f8h n LEU 41 CO 0.44 -0.17 0.67 -3.20 -1.33 0.00 0.00 177.39 173.80 1f8h n ASN 42 N -1.64 0.95 -0.49 -1.43 5.15 -0.83 -3.80 115.26 113.17 1f8h n ASN 42 Ca 0.05 -0.83 0.03 0.00 -0.60 0.00 0.00 54.58 53.22 1f8h n ASN 42 Cb 0.27 0.11 0.09 0.00 -0.53 0.00 0.00 39.78 39.72 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1f8h n SER 43 N -0.71 1.33 -0.49 1.20 7.64 -0.99 -4.84 113.62 116.76 1f8h n SER 43 Ca 0.12 -2.07 -0.06 0.00 1.01 0.00 0.00 58.87 57.87 1f8h n SER 43 Cb 0.34 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.07 -1.70 -3.78 1.43 4.76 -1.25 -4.66 118.16 113.03 1f8h n LYS 44 Ca 0.06 0.71 -0.27 0.00 -2.87 0.00 0.00 58.31 55.94 1f8h n LYS 44 Cb 0.25 -5.08 -0.03 0.00 -1.84 0.00 0.00 35.03 28.32 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 -1.47 4.27 0.93 -0.35 1.43 -1.26 -5.01 118.68 117.21 1f8h s LEU 45 Ca 0.00 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 1f8h s LEU 45 Cb 0.00 -3.08 0.15 0.00 0.03 0.00 0.00 46.19 43.29 1f8h s LEU 45 CO 0.00 -0.01 1.18 -2.16 0.23 0.00 0.00 176.35 175.59 1f8h s PRO 46 N -3.27 1.00 0.00 1.29 0.04 -1.26 -4.81 135.00 127.99 1f8h s PRO 46 Ca 0.37 0.08 0.16 0.00 0.04 0.00 0.00 61.00 61.65 1f8h s PRO 46 Cb -0.11 -1.84 0.82 0.00 0.04 0.00 0.00 34.50 33.40 1f8h s PRO 46 CO 0.29 -2.25 1.48 0.28 0.04 0.00 0.00 177.00 176.84 1f8h n VAL 47 N -3.76 0.55 0.09 -0.36 0.31 -1.26 -2.20 118.33 111.71 1f8h n VAL 47 Ca 0.09 0.14 -0.06 0.00 -0.01 0.00 0.00 64.34 64.51 1f8h n VAL 47 Cb 0.60 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 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 0.06 0.24 4.52 3.32 -1.96 0.90 116.42 123.49 1f8h h ASP 48 Ca 0.00 -0.05 -0.34 0.00 0.02 0.00 0.00 57.03 56.66 1f8h h ASP 48 Cb 0.16 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1f8h h ASP 48 CO 0.00 0.88 -1.82 0.40 -1.72 0.00 0.00 179.24 176.97 1f8h h ILE 49 N 0.02 0.82 0.00 0.35 1.08 -1.80 -3.05 117.51 114.93 1f8h h ILE 49 Ca -0.02 -2.50 -0.11 0.00 -0.39 0.00 0.00 64.86 61.83 1f8h h ILE 49 Cb 1.49 2.61 -0.02 0.00 -3.07 0.00 0.00 36.82 37.83 1f8h h ILE 49 CO 0.12 0.83 -0.54 -0.07 -0.69 0.00 0.00 178.15 177.79 1f8h h LEU 50 N 0.07 0.00 -1.01 1.44 3.38 -1.54 2.46 115.31 120.11 1f8h h LEU 50 Ca -0.36 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1f8h h LEU 50 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1f8h h LEU 50 CO 0.12 0.54 -0.41 1.23 0.09 0.00 0.00 178.44 180.02 1f8h h GLY 51 N 2.89 0.00 0.00 0.83 0.00 0.74 -0.91 103.07 106.63 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 0.07 0.00 -2.29 -2.13 0.00 0.00 0.00 176.54 172.19 1f8h n ARG 52 N -3.67 0.93 -0.08 4.80 0.63 -1.04 -3.81 116.66 114.42 1f8h n ARG 52 Ca -0.01 -0.01 -0.15 0.00 -0.92 0.00 0.00 57.85 56.77 1f8h n ARG 52 Cb 0.50 -1.48 -0.04 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 1.27 0.08 5.15 2.07 0.43 -1.79 116.25 123.46 1f8h h VAL 53 Ca -0.51 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 1f8h h VAL 53 Cb 2.15 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1f8h h VAL 53 CO 0.03 0.56 -0.04 -0.25 0.02 0.00 0.00 177.57 177.89 1f8h h TRP 54 N 0.67 -0.10 0.15 1.57 2.91 -1.35 -0.69 115.95 119.12 1f8h h TRP 54 Ca 0.02 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.05 1f8h h TRP 54 Cb 1.15 0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.79 1f8h h TRP 54 CO 0.07 0.13 -0.42 0.93 -1.03 0.00 0.00 178.44 178.12 1f8h h GLU 55 N -0.32 -0.65 -0.03 2.65 4.39 -1.65 3.03 114.58 122.01 1f8h h GLU 55 Ca -0.01 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1f8h h GLU 55 Cb 0.27 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1f8h h GLU 55 CO 0.02 -0.43 0.17 -0.07 -1.16 0.00 0.00 179.01 177.53 1f8h h LEU 56 N -0.67 0.00 0.08 1.33 3.38 -1.31 0.11 115.31 118.24 1f8h h LEU 56 Ca 0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 1f8h h LEU 56 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1f8h h LEU 56 CO -0.22 0.00 -1.84 0.28 0.09 0.00 0.00 178.44 176.75 1f8h h SER 57 N 0.00 0.28 -0.44 -0.43 0.02 0.15 -3.39 113.55 109.75 1f8h h SER 57 Ca 0.02 -0.59 -0.70 0.00 -0.84 0.00 0.00 61.79 59.68 1f8h h SER 57 Cb 0.35 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1f8h h SER 57 CO -0.00 1.52 3.22 -0.67 -1.14 0.00 0.00 176.83 179.77 1f8h n ASP 58 N -3.33 7.73 0.31 3.07 2.03 0.97 -4.58 116.55 122.73 1f8h n ASP 58 Ca -0.25 -2.81 0.20 0.00 0.52 0.00 0.00 54.79 52.45 1f8h n ASP 58 Cb 1.05 -1.51 1.08 0.00 -0.72 0.00 0.00 41.12 41.02 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 3.05 0.00 0.00 5.18 2.04 -1.76 0.49 117.51 126.52 1f8h h ILE 59 Ca 0.76 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.58 1f8h h ILE 59 Cb 0.35 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1f8h h ILE 59 CO 1.70 0.00 -1.25 0.47 0.00 0.00 0.00 178.15 179.07 1f8h n ASP 60 N -2.91 0.71 -2.68 1.72 8.00 -1.26 -4.96 116.55 115.17 1f8h n ASP 60 Ca -0.03 0.28 -0.21 0.00 0.71 0.00 0.00 54.79 55.55 1f8h n ASP 60 Cb 0.09 0.64 0.02 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.65 -1.60 1.17 1.24 8.25 0.16 -4.87 115.22 116.92 1f8h n HIS 61 Ca -0.03 0.36 0.12 0.00 -0.26 0.00 0.00 57.72 57.91 1f8h n HIS 61 Cb 0.61 -4.18 0.23 0.00 1.12 0.00 0.00 29.99 27.78 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 -2.13 1.93 0.00 0.41 5.75 -1.26 -4.92 116.55 116.33 1f8h n ASP 62 Ca -0.14 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1f8h n ASP 62 Cb 0.63 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 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 1.33 1.01 3.36 6.12 0.00 -1.26 -5.07 105.19 110.68 1f8h n GLY 63 Ca 0.13 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.66 1.14 -0.27 1.61 -1.94 -1.25 -3.06 119.30 113.87 1f8h s MET 64 Ca 0.00 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1f8h s MET 64 Cb 0.00 0.47 0.05 0.00 2.01 0.00 0.00 34.83 37.36 1f8h s MET 64 CO 0.00 -0.45 -0.07 -0.51 -0.01 0.00 0.00 175.02 173.97 1f8h s LEU 65 N -2.83 3.52 1.05 -0.03 1.43 0.20 -4.70 118.68 117.32 1f8h s LEU 65 Ca 0.05 -1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 51.73 1f8h s LEU 65 Cb 0.01 -1.61 0.21 0.00 0.03 0.00 0.00 46.19 44.84 1f8h s LEU 65 CO -0.09 -0.20 1.11 -0.62 0.23 0.00 0.00 176.35 176.78 1f8h s ASP 66 N 1.18 2.25 0.29 2.29 -1.08 -1.25 -1.21 116.67 119.15 1f8h s ASP 66 Ca -0.06 0.95 0.03 0.00 -0.52 0.00 0.00 52.55 52.94 1f8h s ASP 66 Cb -0.19 -1.46 0.66 0.00 -1.46 0.00 0.00 42.92 40.46 1f8h s ASP 66 CO -0.04 -3.33 1.76 0.08 0.52 0.00 0.00 175.17 174.16 1f8h h ARG 67 N -2.03 0.64 0.15 4.34 0.11 -1.95 2.17 114.38 117.81 1f8h h ARG 67 Ca -0.51 -0.04 -0.29 0.00 0.10 0.00 0.00 59.98 59.24 1f8h h ARG 67 Cb 1.32 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 32.27 1f8h h ARG 67 CO 0.51 0.42 -1.29 -0.44 0.10 0.00 0.00 179.97 179.28 1f8h h ASP 68 N 0.66 0.55 -0.03 0.08 3.32 -1.90 -2.80 116.42 116.29 1f8h h ASP 68 Ca 0.53 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1f8h h ASP 68 Cb 0.83 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1f8h h ASP 68 CO -0.40 1.44 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.16 1f8h h GLU 69 N 0.10 0.11 -0.25 3.56 5.08 -1.43 -2.77 114.58 118.98 1f8h h GLU 69 Ca -0.16 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1f8h h GLU 69 Cb 2.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 1f8h h GLU 69 CO 0.22 0.68 0.26 0.35 -1.00 0.00 0.00 179.01 179.52 1f8h h PHE 70 N -0.45 0.00 0.04 4.33 3.04 0.34 -1.50 116.94 122.74 1f8h h PHE 70 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1f8h h PHE 70 Cb 0.69 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.20 1f8h h PHE 70 CO 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 178.31 176.40 1f8h h ALA 71 N 1.73 -0.05 -0.06 2.41 0.00 -1.21 -2.53 119.26 119.54 1f8h h ALA 71 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1f8h h ALA 71 Cb 0.63 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f8h h ALA 71 CO -0.00 -0.34 0.13 0.28 0.00 0.00 0.00 179.25 179.33 1f8h h VAL 72 N -0.44 0.24 -0.01 0.00 2.07 -1.14 0.12 116.25 117.09 1f8h h VAL 72 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1f8h h VAL 72 Cb 0.40 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1f8h h VAL 72 CO 0.01 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.32 1f8h n ALA 73 N -2.17 3.12 0.00 1.67 0.00 -0.99 -3.17 120.51 118.98 1f8h n ALA 73 Ca -0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 1f8h n ALA 73 Cb 0.22 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 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 1.14 0.26 0.00 0.00 2.86 -0.40 -3.04 114.93 115.75 1f8h h MET 74 Ca 0.00 -0.45 -0.06 0.00 -2.06 0.00 0.00 59.70 57.13 1f8h h MET 74 Cb 0.51 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1f8h h MET 74 CO 0.00 1.21 -0.46 0.27 1.06 0.00 0.00 176.91 178.99 1f8h h PHE 75 N 0.02 0.00 0.00 -0.22 -5.15 -1.71 -1.32 116.94 108.56 1f8h h PHE 75 Ca -0.42 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.30 1f8h h PHE 75 Cb 2.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.16 1f8h h PHE 75 CO 0.08 0.28 -0.27 -0.07 -2.00 0.00 0.00 178.31 176.33 1f8h h LEU 76 N 0.00 0.00 0.03 2.10 3.38 -1.68 -0.43 115.31 118.70 1f8h h LEU 76 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 1f8h h LEU 76 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1f8h h LEU 76 CO 0.03 0.27 -1.63 0.52 0.09 0.00 0.00 178.44 177.72 1f8h n VAL 77 N -3.26 1.59 0.02 1.22 0.31 -1.15 -2.97 118.33 114.09 1f8h n VAL 77 Ca 0.02 -0.23 -0.07 0.00 -0.01 0.00 0.00 64.34 64.04 1f8h n VAL 77 Cb 0.55 -1.93 0.10 0.00 -0.91 0.00 0.00 33.84 31.65 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 -0.72 0.60 -0.00 3.52 0.05 -1.32 -1.89 116.97 117.21 1f8h h TYR 78 Ca -0.42 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.17 1f8h h TYR 78 Cb 1.53 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.15 1f8h h TYR 78 CO 0.07 0.88 -0.15 0.00 -1.05 0.00 0.00 178.16 177.90 1f8h n ALA 80 N -1.37 1.58 0.04 0.00 0.00 -0.99 -2.66 120.51 117.10 1f8h n ALA 80 Ca 0.09 -0.84 0.02 0.00 0.00 0.00 0.00 53.44 52.71 1f8h n ALA 80 Cb 0.32 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.96 0.79 0.13 0.00 -0.00 -0.74 -4.05 117.00 110.17 1f8h n LEU 81 Ca -0.19 0.34 -0.09 0.00 -0.00 0.00 0.00 56.01 56.07 1f8h n LEU 81 Cb 1.04 0.06 -0.05 0.00 -0.00 0.00 0.00 43.42 44.47 1f8h n LEU 81 CO 0.44 0.10 0.27 -0.08 -0.00 0.00 0.00 177.39 178.12 1f8h h GLU 82 N 0.00 -0.40 0.00 1.47 4.22 -1.58 -3.46 114.58 114.83 1f8h h GLU 82 Ca -0.14 0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.24 1f8h h GLU 82 Cb 1.49 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.73 1f8h h GLU 82 CO 0.04 -0.15 0.16 1.17 -2.18 0.00 0.00 179.01 178.04 1f8h n LYS 83 N -5.06 0.03 -3.64 1.92 4.81 -1.25 -5.11 118.16 109.86 1f8h n LYS 83 Ca -0.07 -0.54 -0.10 0.00 -0.87 0.00 0.00 58.31 56.73 1f8h n LYS 83 Cb 0.22 -0.03 -0.07 0.00 0.02 0.00 0.00 35.03 35.18 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 0.01 0.60 0.82 1.64 -6.30 -1.09 -5.00 118.70 109.38 1f8h s GLU 84 Ca 0.20 0.74 -0.12 0.00 -2.50 0.00 0.00 54.97 53.28 1f8h s GLU 84 Cb 0.29 0.28 0.09 0.00 0.00 0.00 0.00 34.13 34.79 1f8h s GLU 84 CO -0.22 -0.08 1.19 -1.25 0.02 0.00 0.00 175.26 174.92 1f8h s PRO 85 N 0.39 1.86 0.17 4.30 0.04 -1.26 -4.04 135.00 136.46 1f8h s PRO 85 Ca 0.01 0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.22 1f8h s PRO 85 Cb -0.05 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1f8h s PRO 85 CO -0.05 -1.67 -0.09 0.08 0.04 0.00 0.00 177.00 175.31 1f8h s VAL 86 N -3.59 3.22 0.00 -0.36 1.01 -1.26 -4.89 120.40 114.53 1f8h s VAL 86 Ca 0.63 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1f8h s VAL 86 Cb -0.11 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1f8h s VAL 86 CO 0.49 -0.09 0.00 -0.81 0.00 0.00 0.00 175.10 174.69 1f8h n PRO 87 N 0.09 0.62 -0.01 2.72 -0.04 -1.26 -5.03 135.00 132.08 1f8h n PRO 87 Ca -0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1f8h n PRO 87 Cb 0.55 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 1f8h n PRO 87 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1f8h n MET 88 N -0.76 2.49 -0.49 0.54 2.81 -1.26 -4.79 117.12 115.66 1f8h n MET 88 Ca 0.00 -1.50 -0.02 0.00 -1.81 0.00 0.00 57.70 54.37 1f8h n MET 88 Cb 0.00 -0.99 -0.02 0.00 -0.71 0.00 0.00 33.22 31.50 1f8h n MET 88 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1f8h n SER 89 N -0.54 -0.22 -1.99 7.83 7.64 -1.26 -5.03 113.62 120.06 1f8h n SER 89 Ca 0.02 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1f8h n SER 89 Cb 0.32 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1f8h n SER 89 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f8h n LEU 90 N 0.00 -5.20 -4.59 -3.43 4.77 -1.26 -4.95 117.00 102.33 1f8h n LEU 90 Ca -0.06 2.99 -0.30 0.00 -0.03 0.00 0.00 56.01 58.61 1f8h n LEU 90 Cb 0.38 -2.95 0.23 0.00 -2.33 0.00 0.00 43.42 38.75 1f8h n LEU 90 CO -0.03 -1.36 0.61 -2.16 -1.33 0.00 0.00 177.39 173.12 1f8h s PRO 91 N -0.76 -0.94 0.49 3.23 0.04 -1.26 -4.92 135.00 130.87 1f8h s PRO 91 Ca 0.00 0.10 0.28 0.00 0.04 0.00 0.00 61.00 61.42 1f8h s PRO 91 Cb 0.00 -1.61 1.09 0.00 0.04 0.00 0.00 34.50 34.02 1f8h s PRO 91 CO 0.00 -3.56 1.89 -1.00 0.04 0.00 0.00 177.00 174.37 1f8h h PRO 92 N -2.48 0.00 -0.01 0.56 0.13 -1.96 -2.96 132.00 125.28 1f8h h PRO 92 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1f8h h PRO 92 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1f8h h PRO 92 CO 0.40 0.13 -0.26 0.00 -0.23 0.00 0.00 178.00 178.04 1f8h n ALA 93 N -2.17 3.09 -0.36 -0.56 0.00 -1.26 -3.91 120.51 115.33 1f8h n ALA 93 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.06 1f8h n ALA 93 Cb 0.38 -1.07 0.22 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.40 3.44 -4.29 0.00 7.99 -1.12 0.93 117.00 123.54 1f8h n LEU 94 Ca 0.12 -2.18 -0.29 0.00 -0.01 0.00 0.00 56.01 53.66 1f8h n LEU 94 Cb 0.38 -0.36 -0.15 0.00 -0.11 0.00 0.00 43.42 43.18 1f8h n LEU 94 CO 0.25 0.78 -0.55 -0.69 -1.51 0.00 0.00 177.39 175.67 1f8h s VAL 95 N -1.32 1.94 1.07 4.08 1.01 -1.24 -4.90 120.40 121.03 1f8h s VAL 95 Ca 0.33 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1f8h s VAL 95 Cb 0.20 -1.64 0.22 0.00 0.00 0.00 0.00 36.38 35.16 1f8h s VAL 95 CO 0.19 0.41 1.13 -2.16 0.00 0.00 0.00 175.10 174.67 1f8h s PRO 96 N -0.91 -0.13 0.00 2.72 0.04 -1.26 -4.89 135.00 130.56 1f8h s PRO 96 Ca 0.10 0.16 0.18 0.00 0.04 0.00 0.00 61.00 61.48 1f8h s PRO 96 Cb -0.09 -1.70 1.07 0.00 0.04 0.00 0.00 34.50 33.81 1f8h s PRO 96 CO 0.01 -3.03 1.50 -0.35 0.04 0.00 0.00 177.00 175.17 1f8h n PRO 97 N -4.32 0.52 0.03 0.56 -0.04 -1.26 -2.70 135.00 127.79 1f8h n PRO 97 Ca 0.09 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1f8h n PRO 97 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 1f8h n PRO 97 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f8h h SER 98 N 0.00 0.00 -0.57 3.54 4.64 -2.05 -3.23 113.55 115.88 1f8h h SER 98 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f8h h SER 98 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1f8h h SER 98 CO 0.00 0.97 0.00 1.17 -0.87 0.00 0.00 176.83 178.10 1f8h n LYS 99 N -3.20 3.65 0.00 4.77 4.81 -1.10 -5.24 118.16 121.86 1f8h n LYS 99 Ca -0.08 -2.62 0.02 0.00 -0.87 0.00 0.00 58.31 54.77 1f8h n LYS 99 Cb 0.98 -1.90 0.14 0.00 0.02 0.00 0.00 35.03 34.27 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11