#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 2.15 -0.21 0.54 -0.00 -1.25 -4.73 117.44 113.94 1f8h n TRP 7 Ca 0.00 0.26 0.29 0.00 -0.00 0.00 0.00 57.50 58.05 1f8h n TRP 7 Cb 0.00 -2.55 0.54 0.00 -0.00 0.00 0.00 31.31 29.30 1f8h n TRP 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1f8h h ALA 8 N 7.47 2.91 -2.73 5.87 0.00 0.68 -3.38 119.26 130.09 1f8h h ALA 8 Ca -0.47 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 1f8h h ALA 8 Cb 1.29 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1f8h h ALA 8 CO 0.92 -1.61 -0.45 0.08 0.00 0.00 0.00 179.25 178.18 1f8h s VAL 9 N -4.52 5.33 0.49 0.00 1.01 -1.26 -4.99 120.40 116.45 1f8h s VAL 9 Ca -0.03 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1f8h s VAL 9 Cb 0.16 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1f8h s VAL 9 CO 0.53 0.02 0.36 -0.54 0.00 0.00 0.00 175.10 175.47 1f8h s LYS 10 N -2.87 2.32 0.22 2.72 1.02 -1.26 -4.93 119.74 116.96 1f8h s LYS 10 Ca 0.36 -1.87 -0.03 0.00 0.02 0.00 0.00 55.97 54.45 1f8h s LYS 10 Cb -0.12 -2.15 0.22 0.00 -0.52 0.00 0.00 37.83 35.26 1f8h s LYS 10 CO 0.28 -0.43 1.62 -1.00 -0.92 0.00 0.00 175.35 174.90 1f8h h PRO 11 N 0.93 0.67 -0.00 -1.68 0.13 -1.96 0.56 132.00 130.65 1f8h h PRO 11 Ca -0.39 -0.29 -0.14 0.00 -0.87 0.00 0.00 66.00 64.30 1f8h h PRO 11 Cb 1.29 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1f8h h PRO 11 CO 0.59 0.89 -0.67 1.49 -0.23 0.00 0.00 178.00 180.07 1f8h h GLU 12 N 0.58 0.02 0.20 0.86 4.81 -1.99 -0.30 114.58 118.77 1f8h h GLU 12 Ca 0.07 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.95 1f8h h GLU 12 Cb 0.79 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.20 1f8h h GLU 12 CO 0.06 0.68 -1.54 -0.44 -0.73 0.00 0.00 179.01 177.05 1f8h h ASP 13 N 0.02 0.68 0.92 1.04 5.19 -1.89 -3.14 116.42 119.24 1f8h h ASP 13 Ca -0.01 -0.82 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 1f8h h ASP 13 Cb 1.18 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1f8h h ASP 13 CO 0.09 1.66 0.00 0.50 -3.12 0.00 0.00 179.24 178.37 1f8h h LYS 14 N 0.12 0.00 0.03 3.56 1.63 0.18 -0.68 116.57 121.40 1f8h h LYS 14 Ca -0.27 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.28 1f8h h LYS 14 Cb 2.11 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.76 1f8h h LYS 14 CO 0.23 0.00 -1.00 0.00 -3.45 0.00 0.00 179.45 175.23 1f8h h ALA 15 N 2.16 0.08 0.00 5.00 0.00 -1.02 -0.43 119.26 125.06 1f8h h ALA 15 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 1f8h h ALA 15 Cb 0.46 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1f8h h ALA 15 CO 0.00 0.61 -0.46 1.57 0.00 0.00 0.00 179.25 180.97 1f8h h LYS 16 N 0.25 0.00 -0.12 0.00 2.10 -1.45 -2.72 116.57 114.64 1f8h h LYS 16 Ca -0.13 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.31 1f8h h LYS 16 Cb 1.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.00 1f8h h LYS 16 CO 0.19 0.46 -0.75 1.88 -2.00 0.00 0.00 179.45 179.23 1f8h h TYR 17 N 0.00 0.80 0.00 0.07 -1.99 -1.09 -2.04 116.97 112.73 1f8h h TYR 17 Ca -0.00 -0.36 -0.00 0.00 2.00 0.00 0.00 58.73 60.37 1f8h h TYR 17 Cb 1.30 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 39.91 1f8h h TYR 17 CO 0.00 1.15 -0.02 -0.44 -0.00 0.00 0.00 178.16 178.85 1f8h h ASP 18 N 0.41 0.00 0.48 3.88 3.32 -1.01 0.13 116.42 123.63 1f8h h ASP 18 Ca -0.04 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.71 1f8h h ASP 18 Cb 1.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 1f8h h ASP 18 CO 0.14 0.02 -1.48 0.00 -1.72 0.00 0.00 179.24 176.20 1f8h h ALA 19 N 1.98 0.24 0.03 3.45 0.00 -1.30 -2.38 119.26 121.27 1f8h h ALA 19 Ca -0.00 -1.07 -0.22 0.00 0.00 0.00 0.00 54.91 53.63 1f8h h ALA 19 Cb 0.71 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1f8h h ALA 19 CO 0.00 1.10 -0.96 0.82 0.00 0.00 0.00 179.25 180.21 1f8h h ILE 20 N 0.07 1.51 -0.55 0.00 2.04 -1.23 0.03 117.51 119.39 1f8h h ILE 20 Ca -0.22 -2.78 -0.07 0.00 1.00 0.00 0.00 64.86 62.79 1f8h h ILE 20 Cb 2.01 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 40.66 1f8h h ILE 20 CO 0.17 0.81 0.06 0.15 0.00 0.00 0.00 178.15 179.34 1f8h h PHE 21 N 0.10 0.95 -0.01 1.37 3.04 -0.79 -1.91 116.94 119.68 1f8h h PHE 21 Ca -0.06 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.77 1f8h h PHE 21 Cb 1.63 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.87 1f8h h PHE 21 CO 0.03 0.83 -0.12 -3.47 -2.02 0.00 0.00 178.31 173.57 1f8h n ASP 22 N -4.23 1.34 -0.00 0.41 2.03 -0.90 -3.62 116.55 111.59 1f8h n ASP 22 Ca 0.03 -1.25 0.14 0.00 0.52 0.00 0.00 54.79 54.23 1f8h n ASP 22 Cb 0.28 0.07 0.54 0.00 -0.72 0.00 0.00 41.12 41.29 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 -0.16 0.11 -0.12 1.67 7.64 -0.01 -3.96 113.62 118.79 1f8h n SER 23 Ca 0.16 0.33 -0.21 0.00 1.01 0.00 0.00 58.87 60.16 1f8h n SER 23 Cb 0.36 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.49 1.94 0.00 -3.43 4.77 -1.22 -5.04 117.00 112.52 1f8h n LEU 24 Ca 0.07 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1f8h n LEU 24 Cb 0.34 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1f8h n LEU 24 CO 0.29 0.21 0.00 -0.24 -1.33 0.00 0.00 177.39 176.32 1f8h n SER 25 N -4.35 0.00 -4.68 -1.43 2.88 -1.25 -5.10 113.62 99.68 1f8h n SER 25 Ca -0.37 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.75 1f8h n SER 25 Cb 0.72 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.15 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 0.00 4.33 -0.17 -1.46 0.04 -1.26 -4.68 135.00 131.80 1f8h s PRO 26 Ca 0.00 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1f8h s PRO 26 Cb 0.00 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1f8h s PRO 26 CO 0.00 -0.49 -0.20 0.54 0.04 0.00 0.00 177.00 176.90 1f8h s VAL 27 N 2.50 2.14 -1.94 -0.36 0.11 -0.22 -4.54 120.40 118.09 1f8h s VAL 27 Ca 0.53 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1f8h s VAL 27 Cb -0.22 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1f8h s VAL 27 CO 0.18 0.54 0.00 -3.20 -3.33 0.00 0.00 175.10 169.29 1f8h n ASN 28 N 4.48 -4.93 -0.71 3.54 5.15 -1.26 -1.16 115.26 120.38 1f8h n ASN 28 Ca -0.21 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1f8h n ASN 28 Cb 0.50 -4.38 0.00 0.00 -0.53 0.00 0.00 39.78 35.37 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 -0.39 0.70 3.29 8.20 0.00 -1.26 -5.07 105.19 110.66 1f8h n GLY 29 Ca -0.19 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.91 -0.13 0.22 1.61 0.08 -0.31 -3.74 117.98 112.79 1f8h s PHE 30 Ca 0.00 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 56.97 1f8h s PHE 30 Cb 0.00 0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.57 1f8h s PHE 30 CO 0.00 -0.63 -0.13 -0.51 -0.10 0.00 0.00 175.22 173.84 1f8h s LEU 31 N -2.64 2.54 0.03 -0.37 1.43 -0.77 -1.06 118.68 117.85 1f8h s LEU 31 Ca 0.01 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.09 1f8h s LEU 31 Cb 0.02 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 1f8h s LEU 31 CO -0.10 -0.19 0.03 -0.94 0.23 0.00 0.00 176.35 175.38 1f8h s SER 32 N -3.34 5.29 0.61 2.29 1.04 -1.26 -1.07 113.70 117.26 1f8h s SER 32 Ca 0.24 -0.01 0.26 0.00 0.48 0.00 0.00 55.95 56.92 1f8h s SER 32 Cb -0.00 -1.40 1.10 0.00 0.10 0.00 0.00 66.02 65.82 1f8h s SER 32 CO 0.08 0.24 1.51 1.23 0.98 0.00 0.00 173.24 177.28 1f8h h GLY 33 N 3.94 0.00 2.00 7.32 0.00 0.45 2.41 103.07 119.19 1f8h h GLY 33 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1f8h h GLY 33 CO 0.60 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 176.59 1f8h h ASP 34 N 0.00 0.00 0.16 0.19 5.19 -1.92 0.32 116.42 120.35 1f8h h ASP 34 Ca 0.36 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.42 1f8h h ASP 34 Cb 2.22 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.68 1f8h h ASP 34 CO -0.00 0.00 -2.13 0.29 -3.12 0.00 0.00 179.24 174.27 1f8h n LYS 35 N -3.10 0.69 0.05 3.56 5.02 0.80 -4.27 118.16 120.90 1f8h n LYS 35 Ca 0.03 0.18 -0.20 0.00 -2.02 0.00 0.00 58.31 56.30 1f8h n LYS 35 Cb 0.44 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.42 -0.95 -0.18 2.07 -1.30 -3.16 116.25 114.17 1f8h h VAL 36 Ca -0.46 -2.36 0.17 0.00 0.82 0.00 0.00 66.70 64.87 1f8h h VAL 36 Cb 2.05 2.87 -0.17 0.00 -1.52 0.00 0.00 31.29 34.52 1f8h h VAL 36 CO 0.03 0.69 -0.32 0.50 0.02 0.00 0.00 177.57 178.49 1f8h h LYS 37 N -0.11 -0.01 -0.30 1.57 3.64 -0.55 1.07 116.57 121.86 1f8h h LYS 37 Ca -0.13 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1f8h h LYS 37 Cb 1.60 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 1f8h h LYS 37 CO 0.16 -0.01 -0.21 -1.00 -2.27 0.00 0.00 179.45 176.13 1f8h h PRO 38 N -0.01 0.57 -0.32 1.90 0.13 -1.74 0.47 132.00 133.00 1f8h h PRO 38 Ca 0.39 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1f8h h PRO 38 Cb 0.64 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 1f8h h PRO 38 CO -0.97 0.75 0.13 0.28 -0.23 0.00 0.00 178.00 177.96 1f8h h VAL 39 N 0.51 1.13 0.00 1.56 2.07 0.10 -0.78 116.25 120.84 1f8h h VAL 39 Ca 0.08 -0.39 -0.25 0.00 0.82 0.00 0.00 66.70 66.96 1f8h h VAL 39 Cb 0.64 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1f8h h VAL 39 CO 0.05 0.15 -1.55 -0.07 0.02 0.00 0.00 177.57 176.17 1f8h h LEU 40 N 0.44 0.00 -0.58 2.57 3.38 0.19 -3.27 115.31 118.04 1f8h h LEU 40 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1f8h h LEU 40 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1f8h h LEU 40 CO -0.01 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.59 1f8h n LEU 41 N -3.04 0.71 -0.32 1.67 4.77 0.16 -1.89 117.00 119.06 1f8h n LEU 41 Ca -0.13 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 1f8h n LEU 41 Cb 0.99 -0.53 0.40 0.00 -2.33 0.00 0.00 43.42 41.95 1f8h n LEU 41 CO 0.45 -0.49 0.70 -3.20 -1.33 0.00 0.00 177.39 173.51 1f8h n ASN 42 N -2.26 1.19 -0.19 -1.43 2.85 -0.35 -3.85 115.26 111.22 1f8h n ASN 42 Ca 0.03 -1.07 0.01 0.00 -0.11 0.00 0.00 54.58 53.44 1f8h n ASN 42 Cb 0.27 0.11 0.03 0.00 1.24 0.00 0.00 39.78 41.43 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 -0.41 0.50 -0.25 1.20 7.64 -0.79 -4.82 113.62 116.70 1f8h n SER 43 Ca 0.14 -2.01 -0.03 0.00 1.01 0.00 0.00 58.87 57.97 1f8h n SER 43 Cb 0.36 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.26 -1.70 -3.96 1.43 4.76 -1.25 -4.86 118.16 112.32 1f8h n LYS 44 Ca 0.02 0.57 -0.26 0.00 -2.87 0.00 0.00 58.31 55.77 1f8h n LYS 44 Cb 0.10 -4.90 -0.03 0.00 -1.84 0.00 0.00 35.03 28.35 1f8h n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1f8h s LEU 45 N -0.73 4.29 0.91 -0.35 1.43 -1.26 -5.10 118.68 117.86 1f8h s LEU 45 Ca 0.00 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1f8h s LEU 45 Cb 0.00 -2.86 0.14 0.00 0.03 0.00 0.00 46.19 43.50 1f8h s LEU 45 CO 0.00 0.05 1.14 -2.16 0.23 0.00 0.00 176.35 175.61 1f8h s PRO 46 N -3.25 1.17 0.00 1.29 0.04 -1.26 -4.80 135.00 128.19 1f8h s PRO 46 Ca 0.34 0.27 0.13 0.00 0.04 0.00 0.00 61.00 61.78 1f8h s PRO 46 Cb -0.11 -1.84 0.61 0.00 0.04 0.00 0.00 34.50 33.20 1f8h s PRO 46 CO 0.28 -2.17 1.36 0.28 0.04 0.00 0.00 177.00 176.78 1f8h n VAL 47 N -3.75 0.83 0.15 -0.36 0.31 -1.26 -1.69 118.33 112.56 1f8h n VAL 47 Ca 0.07 0.21 0.01 0.00 -0.01 0.00 0.00 64.34 64.62 1f8h n VAL 47 Cb 0.59 -0.99 0.17 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.21 4.52 1.82 -1.96 1.53 116.42 122.54 1f8h h ASP 48 Ca 0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.29 1f8h h ASP 48 Cb 0.16 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 1f8h h ASP 48 CO 0.00 0.56 -1.86 0.40 -1.61 0.00 0.00 179.24 176.73 1f8h h ILE 49 N 0.00 0.78 0.00 2.25 1.08 -1.68 -3.07 117.51 116.87 1f8h h ILE 49 Ca -0.01 -2.46 -0.18 0.00 -0.39 0.00 0.00 64.86 61.82 1f8h h ILE 49 Cb 1.15 2.59 -0.03 0.00 -3.07 0.00 0.00 36.82 37.47 1f8h h ILE 49 CO 0.07 0.85 -0.84 -0.07 -0.69 0.00 0.00 178.15 177.47 1f8h h LEU 50 N 0.08 0.00 -1.31 1.44 3.38 -1.48 2.36 115.31 119.78 1f8h h LEU 50 Ca -0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 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 0.84 -0.26 1.23 0.09 0.00 0.00 178.44 180.46 1f8h h GLY 51 N 2.61 0.00 0.00 0.83 0.00 0.21 -1.37 103.07 105.35 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 0.11 0.00 -2.28 -2.13 0.00 0.00 0.00 176.54 172.24 1f8h n ARG 52 N -3.60 0.78 -0.10 4.80 0.63 -1.06 -3.92 116.66 114.19 1f8h n ARG 52 Ca -0.01 0.07 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 1f8h n ARG 52 Cb 0.39 -1.46 0.09 0.00 0.45 0.00 0.00 32.46 31.93 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 0.21 5.15 2.07 0.40 -2.38 116.25 122.96 1f8h h VAL 53 Ca -0.50 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 1f8h h VAL 53 Cb 1.93 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1f8h h VAL 53 CO -0.04 0.44 -0.10 -0.25 0.02 0.00 0.00 177.57 177.64 1f8h h TRP 54 N 0.71 -0.26 0.06 1.57 2.91 -1.42 -0.65 115.95 118.86 1f8h h TRP 54 Ca 0.10 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.14 1f8h h TRP 54 Cb 0.70 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.39 1f8h h TRP 54 CO 0.04 -0.01 -0.48 0.93 -1.03 0.00 0.00 178.44 177.89 1f8h h GLU 55 N -0.48 -0.65 0.00 2.65 5.08 -1.65 2.82 114.58 122.36 1f8h h GLU 55 Ca -0.03 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1f8h h GLU 55 Cb 0.37 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1f8h h GLU 55 CO 0.05 -0.43 0.00 1.28 -1.00 0.00 0.00 179.01 178.91 1f8h n LEU 56 N -5.47 0.49 -0.04 1.33 4.77 -0.91 -1.21 117.00 115.96 1f8h n LEU 56 Ca -0.07 0.70 -0.03 0.00 -0.03 0.00 0.00 56.01 56.58 1f8h n LEU 56 Cb 0.39 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.61 1f8h n LEU 56 CO 0.15 -0.80 -0.78 -1.20 -1.33 0.00 0.00 177.39 173.44 1f8h n SER 57 N -2.13 0.32 -4.56 -1.43 7.64 0.22 -4.77 113.62 108.92 1f8h n SER 57 Ca -0.00 0.14 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 1f8h n SER 57 Cb 0.07 0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 64.11 1f8h n SER 57 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1f8h s ASP 58 N -5.42 6.19 0.22 6.43 -1.08 0.88 -4.67 116.67 119.22 1f8h s ASP 58 Ca -0.07 -1.00 0.05 0.00 -0.52 0.00 0.00 52.55 51.00 1f8h s ASP 58 Cb 0.09 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 39.17 1f8h s ASP 58 CO 0.84 -1.79 1.52 0.40 0.52 0.00 0.00 175.17 176.66 1f8h h ILE 59 N 6.66 1.42 0.00 4.11 1.08 -1.86 -3.16 117.51 125.76 1f8h h ILE 59 Ca 0.04 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 1f8h h ILE 59 Cb 1.03 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.92 1f8h h ILE 59 CO 1.35 0.64 -1.25 0.47 -0.69 0.00 0.00 178.15 178.67 1f8h n ASP 60 N -3.81 0.54 -3.75 1.72 8.00 -1.26 -4.98 116.55 113.01 1f8h n ASP 60 Ca -0.02 -0.18 -0.23 0.00 0.71 0.00 0.00 54.79 55.07 1f8h n ASP 60 Cb 0.67 1.06 0.02 0.00 -0.02 0.00 0.00 41.12 42.85 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 -2.07 -1.86 -2.10 1.24 8.25 -1.20 -4.89 115.22 112.59 1f8h n HIS 61 Ca 0.00 0.80 -0.11 0.00 -0.26 0.00 0.00 57.72 58.16 1f8h n HIS 61 Cb 0.47 -4.20 0.07 0.00 1.12 0.00 0.00 29.99 27.45 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 3.29 -2.79 0.41 5.75 -1.26 -4.92 116.55 114.00 1f8h n ASP 62 Ca -0.29 -3.35 -0.21 0.00 -0.01 0.00 0.00 54.79 50.93 1f8h n ASP 62 Cb 0.68 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.69 -0.51 3.28 6.12 0.00 -1.26 -4.89 105.19 107.24 1f8h n GLY 63 Ca 0.29 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -5.45 1.00 -0.20 1.61 -1.94 -1.26 0.11 119.30 113.17 1f8h s MET 64 Ca 0.18 -0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 53.29 1f8h s MET 64 Cb -0.08 0.41 0.06 0.00 2.01 0.00 0.00 34.83 37.23 1f8h s MET 64 CO 0.23 -0.36 0.01 -0.51 -0.01 0.00 0.00 175.02 174.37 1f8h s LEU 65 N -2.84 1.51 0.95 -0.03 1.43 -0.24 -4.74 118.68 114.72 1f8h s LEU 65 Ca 0.05 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.15 1f8h s LEU 65 Cb 0.03 -0.74 0.16 0.00 0.03 0.00 0.00 46.19 45.67 1f8h s LEU 65 CO -0.10 -0.28 1.09 -0.62 0.23 0.00 0.00 176.35 176.67 1f8h s ASP 66 N 1.74 3.03 0.29 2.29 -1.08 -1.26 -1.85 116.67 119.84 1f8h s ASP 66 Ca -0.02 1.30 0.03 0.00 -0.52 0.00 0.00 52.55 53.34 1f8h s ASP 66 Cb -0.17 -1.97 0.73 0.00 -1.46 0.00 0.00 42.92 40.04 1f8h s ASP 66 CO -0.07 -2.89 1.65 0.08 0.52 0.00 0.00 175.17 174.46 1f8h h ARG 67 N -1.72 0.22 0.09 4.34 0.11 -1.94 1.18 114.38 116.65 1f8h h ARG 67 Ca -0.52 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 59.28 1f8h h ARG 67 Cb 1.31 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 32.35 1f8h h ARG 67 CO 0.57 0.14 -1.15 0.22 0.10 0.00 0.00 179.97 179.85 1f8h h ASP 68 N 0.22 0.56 0.21 0.08 3.58 -1.92 -3.11 116.42 116.04 1f8h h ASP 68 Ca 0.56 -0.53 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1f8h h ASP 68 Cb 1.13 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1f8h h ASP 68 CO -0.65 1.37 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.90 1f8h h GLU 69 N 0.16 -0.27 -0.02 0.28 4.81 -0.77 -1.60 114.58 117.17 1f8h h GLU 69 Ca -0.13 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1f8h h GLU 69 Cb 1.83 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.27 1f8h h GLU 69 CO 0.20 -0.04 0.28 0.35 -0.73 0.00 0.00 179.01 179.07 1f8h h PHE 70 N -0.46 0.00 -0.06 0.92 3.04 0.11 -0.08 116.94 120.41 1f8h h PHE 70 Ca -0.03 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.84 1f8h h PHE 70 Cb 0.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1f8h h PHE 70 CO -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 178.31 176.00 1f8h h ALA 71 N 1.46 0.12 -0.01 2.41 0.00 -1.22 -2.69 119.26 119.33 1f8h h ALA 71 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1f8h h ALA 71 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1f8h h ALA 71 CO -0.00 0.15 0.00 0.28 0.00 0.00 0.00 179.25 179.68 1f8h h VAL 72 N -0.20 0.87 -0.01 0.00 2.07 -0.82 -0.95 116.25 117.21 1f8h h VAL 72 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1f8h h VAL 72 Cb 0.93 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1f8h h VAL 72 CO 0.06 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.42 1f8h n ALA 73 N -2.48 3.01 0.00 1.67 0.00 -1.11 -3.22 120.51 118.38 1f8h n ALA 73 Ca -0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 1f8h n ALA 73 Cb 0.09 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 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 1.21 0.24 0.00 0.00 2.86 -0.83 -3.09 114.93 115.32 1f8h h MET 74 Ca 0.00 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1f8h h MET 74 Cb 0.49 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1f8h h MET 74 CO 0.00 1.19 -0.20 0.27 1.06 0.00 0.00 176.91 179.24 1f8h h PHE 75 N -0.25 0.00 0.00 -0.22 -5.15 -1.69 -1.50 116.94 108.12 1f8h h PHE 75 Ca -0.34 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.39 1f8h h PHE 75 Cb 1.81 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.97 1f8h h PHE 75 CO 0.11 0.20 -0.19 -0.07 -2.00 0.00 0.00 178.31 176.36 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.66 -2.60 115.31 116.53 1f8h h LEU 76 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f8h h LEU 76 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1f8h h LEU 76 CO 0.03 0.19 -0.58 0.52 0.09 0.00 0.00 178.44 178.68 1f8h n VAL 77 N -3.26 1.42 0.33 1.22 0.31 -1.05 -3.89 118.33 113.41 1f8h n VAL 77 Ca 0.01 0.21 0.18 0.00 -0.01 0.00 0.00 64.34 64.73 1f8h n VAL 77 Cb 0.47 -2.38 0.95 0.00 -0.91 0.00 0.00 33.84 31.97 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 -0.99 0.00 0.00 3.52 0.05 -1.40 0.43 116.97 118.58 1f8h h TYR 78 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1f8h h TYR 78 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1f8h h TYR 78 CO -0.25 0.00 -0.27 0.00 -1.05 0.00 0.00 178.16 176.59 1f8h h ALA 80 N 2.33 0.71 0.14 0.00 0.00 0.11 1.37 119.26 123.92 1f8h h ALA 80 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1f8h h ALA 80 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1f8h h ALA 80 CO 0.00 0.00 -1.90 -0.07 0.00 0.00 0.00 179.25 177.28 1f8h h LEU 81 N 0.00 0.46 0.08 0.00 4.07 -1.51 -3.39 115.31 115.02 1f8h h LEU 81 Ca 0.00 -0.94 -0.00 0.00 0.08 0.00 0.00 57.88 57.01 1f8h h LEU 81 Cb 0.76 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1f8h h LEU 81 CO 0.00 1.83 -0.04 -0.33 -1.08 0.00 0.00 178.44 178.82 1f8h h GLU 82 N 0.05 -0.10 0.00 1.13 4.39 -1.65 -3.47 114.58 114.92 1f8h h GLU 82 Ca -0.40 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1f8h h GLU 82 Cb 2.03 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1f8h h GLU 82 CO 0.11 0.40 0.00 1.17 -1.16 0.00 0.00 179.01 179.52 1f8h n LYS 83 N -4.88 0.00 -2.59 2.33 4.81 -1.10 -5.10 118.16 111.63 1f8h n LYS 83 Ca -0.08 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.93 1f8h n LYS 83 Cb 0.28 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.31 1f8h n LYS 83 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1f8h s GLU 84 N 0.00 3.76 0.42 1.64 0.41 0.47 -4.90 118.70 120.50 1f8h s GLU 84 Ca 0.00 0.66 -0.07 0.00 -0.41 0.00 0.00 54.97 55.15 1f8h s GLU 84 Cb 0.00 -3.89 0.10 0.00 -1.78 0.00 0.00 34.13 28.56 1f8h s GLU 84 CO 0.00 -1.33 0.36 -0.35 -0.49 0.00 0.00 175.26 173.45 1f8h n PRO 85 N 7.73 -1.86 -3.87 0.39 -0.04 -1.26 -1.42 135.00 134.67 1f8h n PRO 85 Ca 0.12 -0.57 -0.29 0.00 -0.04 0.00 0.00 63.50 62.71 1f8h n PRO 85 Cb 0.49 -0.56 -0.16 0.00 -0.04 0.00 0.00 33.50 33.23 1f8h n PRO 85 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1f8h s VAL 86 N -1.63 1.22 0.00 0.52 1.01 -1.26 -4.73 120.40 115.53 1f8h s VAL 86 Ca 0.24 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1f8h s VAL 86 Cb -0.02 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1f8h s VAL 86 CO 0.18 -0.16 0.00 -0.81 0.00 0.00 0.00 175.10 174.32 1f8h n PRO 87 N 4.78 -0.36 -0.41 2.72 -0.04 -1.26 -4.89 135.00 135.54 1f8h n PRO 87 Ca -0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1f8h n PRO 87 Cb 0.45 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.14 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 -1.18 2.53 -3.82 0.54 2.81 -1.26 -4.83 117.12 111.91 1f8h n MET 88 Ca 0.00 -2.83 -0.35 0.00 -1.81 0.00 0.00 57.70 52.70 1f8h n MET 88 Cb 0.00 -1.78 -0.12 0.00 -0.71 0.00 0.00 33.22 30.60 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 -2.16 5.16 -0.37 7.83 0.01 -1.26 -4.95 113.70 117.96 1f8h s SER 89 Ca 0.41 -1.92 -0.28 0.00 1.31 0.00 0.00 55.95 55.46 1f8h s SER 89 Cb 0.34 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.76 1f8h s SER 89 CO 0.07 -0.48 1.70 -0.22 0.41 0.00 0.00 173.24 174.72 1f8h s LEU 90 N 1.14 3.51 0.50 2.44 2.96 -1.26 -4.94 118.68 123.03 1f8h s LEU 90 Ca 0.06 1.12 -0.23 0.00 -0.22 0.00 0.00 54.13 54.87 1f8h s LEU 90 Cb -0.22 -3.46 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 1f8h s LEU 90 CO -0.04 -1.67 1.26 -2.16 -1.32 0.00 0.00 176.35 172.42 1f8h s PRO 91 N 5.54 3.49 0.00 0.98 0.04 -1.26 -4.90 135.00 138.88 1f8h s PRO 91 Ca 0.74 2.01 0.20 0.00 0.04 0.00 0.00 61.00 63.98 1f8h s PRO 91 Cb -0.20 -2.36 0.98 0.00 0.04 0.00 0.00 34.50 32.96 1f8h s PRO 91 CO 0.33 -0.84 1.61 -0.35 0.04 0.00 0.00 177.00 177.78 1f8h n PRO 92 N -0.70 0.26 0.11 0.56 -0.04 -1.26 -2.19 135.00 131.73 1f8h n PRO 92 Ca 0.08 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1f8h n PRO 92 Cb 0.46 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 2.91 0.66 -0.00 0.55 0.00 -1.90 -3.22 119.26 118.25 1f8h h ALA 93 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1f8h h ALA 93 Cb 0.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1f8h h ALA 93 CO 0.00 0.43 -0.67 -0.11 0.00 0.00 0.00 179.25 178.89 1f8h n LEU 94 N -2.93 0.85 -4.72 0.00 -0.00 -0.93 0.12 117.00 109.40 1f8h n LEU 94 Ca -0.02 -0.27 -0.40 0.00 -0.00 0.00 0.00 56.01 55.31 1f8h n LEU 94 Cb 0.68 -0.12 -0.04 0.00 -0.00 0.00 0.00 43.42 43.93 1f8h n LEU 94 CO 0.40 0.20 0.46 -0.69 -0.00 0.00 0.00 177.39 177.76 1f8h s VAL 95 N -2.92 4.98 1.14 1.96 1.01 -1.13 -4.72 120.40 120.72 1f8h s VAL 95 Ca 0.12 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.49 1f8h s VAL 95 Cb 0.17 -4.10 0.26 0.00 0.00 0.00 0.00 36.38 32.72 1f8h s VAL 95 CO 0.74 0.25 1.16 -2.16 0.00 0.00 0.00 175.10 175.09 1f8h s PRO 96 N 0.75 -0.74 1.08 2.72 0.04 -1.26 -4.95 135.00 132.64 1f8h s PRO 96 Ca 0.40 -0.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.11 1f8h s PRO 96 Cb -0.19 -1.66 0.27 0.00 0.04 0.00 0.00 34.50 32.97 1f8h s PRO 96 CO 0.20 -3.38 0.82 -0.35 0.04 0.00 0.00 177.00 174.33 1f8h n PRO 97 N -4.51 -3.41 0.00 0.56 -0.04 -1.26 -3.69 135.00 122.66 1f8h n PRO 97 Ca 0.14 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1f8h n PRO 97 Cb 0.59 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -4.85 0.00 -0.73 3.54 2.88 -1.26 -4.32 113.62 108.88 1f8h n SER 98 Ca 0.12 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.70 1f8h n SER 98 Cb 0.48 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.09 1f8h n SER 98 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1f8h n LYS 99 N 0.00 2.00 0.00 -1.46 4.81 -1.24 -5.29 118.16 116.98 1f8h n LYS 99 Ca 0.00 -1.20 0.00 0.00 -0.87 0.00 0.00 58.31 56.24 1f8h n LYS 99 Cb 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.64 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11