#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fe8 n PRO 2 N 0.00 2.03 -3.67 0.00 -0.02 -1.26 -5.03 135.00 127.04 3fe8 n PRO 2 Ca 0.00 0.73 -0.09 0.00 -2.02 0.00 0.00 63.50 62.12 3fe8 n PRO 2 Cb 0.00 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 30.77 3fe8 n PRO 2 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3fe8 s ASP 3 N -0.65 -0.41 0.47 2.55 -1.08 -1.26 -5.04 116.67 111.25 3fe8 s ASP 3 Ca 0.66 1.00 0.25 0.00 -0.52 0.00 0.00 52.55 53.93 3fe8 s ASP 3 Cb -0.44 1.17 1.15 0.00 -1.46 0.00 0.00 42.92 43.34 3fe8 s ASP 3 CO 0.54 -0.22 1.94 4.11 0.52 0.00 0.00 175.17 182.06 3fe8 h TRP 4 N 7.72 0.00 -2.91 -5.34 5.08 -1.97 -3.45 115.95 115.08 3fe8 h TRP 4 Ca -0.24 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.19 3fe8 h TRP 4 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3fe8 h TRP 4 CO 0.25 0.19 0.82 0.08 -1.28 0.00 0.00 178.44 178.51 3fe8 s VAL 5 N -3.93 3.66 0.33 0.12 1.01 -1.26 -4.95 120.40 115.37 3fe8 s VAL 5 Ca -0.01 1.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 3fe8 s VAL 5 Cb 0.12 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 3fe8 s VAL 5 CO 0.62 0.01 0.91 -2.16 0.00 0.00 0.00 175.10 174.48 3fe8 s PRO 6 N 2.28 4.48 0.61 2.72 0.04 -1.26 -4.94 135.00 138.92 3fe8 s PRO 6 Ca 0.64 1.23 0.35 0.00 0.04 0.00 0.00 61.00 63.26 3fe8 s PRO 6 Cb -0.32 -2.71 1.96 0.00 0.04 0.00 0.00 34.50 33.47 3fe8 s PRO 6 CO 0.27 0.25 2.25 -1.35 0.04 0.00 0.00 177.00 178.46 3fe8 h PRO 7 N 3.00 0.00 0.00 0.56 0.11 -1.98 -2.69 132.00 131.00 3fe8 h PRO 7 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3fe8 h PRO 7 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fe8 h PRO 7 CO 0.64 0.02 -0.12 1.05 -0.21 0.00 0.00 178.00 179.38 3fe8 h GLU 8 N 0.00 0.00 -0.26 1.05 9.09 -2.03 -2.91 114.58 119.52 3fe8 h GLU 8 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3fe8 h GLU 8 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 3fe8 h GLU 8 CO 0.00 0.12 0.05 -0.24 0.05 0.00 0.00 179.01 179.00 3fe8 h VAL 9 N 0.00 1.13 -0.20 -1.06 3.04 -1.88 -3.10 116.25 114.18 3fe8 h VAL 9 Ca -0.00 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 3fe8 h VAL 9 Cb 0.44 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 3fe8 h VAL 9 CO 0.02 0.17 0.04 -0.26 -1.01 0.00 0.00 177.57 176.53 3fe8 h PHE 10 N 0.36 0.34 -0.05 3.17 0.04 -1.74 -1.84 116.94 117.22 3fe8 h PHE 10 Ca 0.09 -0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 3fe8 h PHE 10 Cb 0.16 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3fe8 h PHE 10 CO 0.00 0.45 -0.52 0.22 -0.60 0.00 0.00 178.31 177.87 3fe8 h ASP 11 N 0.13 0.16 -0.05 2.17 -0.00 -1.77 -2.70 116.42 114.36 3fe8 h ASP 11 Ca 0.06 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.03 56.95 3fe8 h ASP 11 Cb 0.28 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.55 3fe8 h ASP 11 CO 0.00 0.65 -0.13 -0.07 -0.00 0.00 0.00 179.24 179.69 3fe8 h LEU 12 N 0.12 0.36 0.00 2.28 4.07 -1.37 -2.96 115.31 117.81 3fe8 h LEU 12 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3fe8 h LEU 12 Cb 0.95 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.60 3fe8 h LEU 12 CO 0.07 0.52 -0.81 0.52 -1.08 0.00 0.00 178.44 177.66 3fe8 n VAL 13 N -4.23 0.01 -0.09 1.22 0.31 -0.73 -4.63 118.33 110.19 3fe8 n VAL 13 Ca 0.00 -0.03 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 3fe8 n VAL 13 Cb 0.30 0.62 0.01 0.00 -0.91 0.00 0.00 33.84 33.86 3fe8 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fe8 h ALA 14 N 2.95 0.27 -0.27 3.52 0.00 -1.30 0.13 119.26 124.56 3fe8 h ALA 14 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fe8 h ALA 14 Cb 0.53 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3fe8 h ALA 14 CO 0.00 -0.42 0.15 1.49 0.00 0.00 0.00 179.25 180.46 3fe8 h GLU 15 N 0.06 0.38 -0.27 0.00 4.81 -1.82 -1.95 114.58 115.79 3fe8 h GLU 15 Ca 0.16 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 3fe8 h GLU 15 Cb 0.23 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3fe8 h GLU 15 CO -0.29 0.35 -0.29 -0.44 -0.73 0.00 0.00 179.01 177.60 3fe8 h ASP 16 N 0.32 0.57 -0.30 1.04 3.32 -1.79 -2.25 116.42 117.34 3fe8 h ASP 16 Ca 0.10 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3fe8 h ASP 16 Cb 0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3fe8 h ASP 16 CO -0.01 0.84 0.19 0.50 -1.72 0.00 0.00 179.24 179.03 3fe8 h LYS 17 N 0.48 0.40 -0.64 3.56 3.64 -0.52 0.96 116.57 124.45 3fe8 h LYS 17 Ca 0.06 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3fe8 h LYS 17 Cb 0.75 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3fe8 h LYS 17 CO 0.06 0.28 0.32 0.00 -2.27 0.00 0.00 179.45 177.84 3fe8 h ALA 18 N 1.09 0.82 -0.11 5.00 0.00 -1.19 -1.22 119.26 123.66 3fe8 h ALA 18 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fe8 h ALA 18 Cb -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3fe8 h ALA 18 CO -0.02 0.38 -0.02 -0.09 0.00 0.00 0.00 179.25 179.49 3fe8 h ARG 19 N 0.88 0.22 -0.74 0.00 2.43 -1.15 -2.23 114.38 113.79 3fe8 h ARG 19 Ca 0.22 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3fe8 h ARG 19 Cb 0.10 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3fe8 h ARG 19 CO -0.03 0.51 0.37 0.00 -1.51 0.00 0.00 179.97 179.31 3fe8 h MET 21 N 1.03 0.94 -0.40 0.00 2.86 -1.21 -2.54 114.93 115.61 3fe8 h MET 21 Ca 0.25 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3fe8 h MET 21 Cb 0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3fe8 h MET 21 CO -0.03 0.79 -0.03 1.03 1.06 0.00 0.00 176.91 179.73 3fe8 h SER 22 N 0.88 0.72 -0.54 1.22 0.87 -0.91 -0.66 113.55 115.13 3fe8 h SER 22 Ca 0.21 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3fe8 h SER 22 Cb 0.20 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3fe8 h SER 22 CO -0.02 0.87 0.31 -0.33 -0.53 0.00 0.00 176.83 177.14 3fe8 h GLU 23 N 0.55 0.76 -0.01 2.24 5.08 -0.75 -3.27 114.58 119.18 3fe8 h GLU 23 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3fe8 h GLU 23 Cb 0.52 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3fe8 h GLU 23 CO 0.03 0.55 -0.12 0.72 -1.00 0.00 0.00 179.01 179.19 3fe8 n HIS 24 N -4.40 0.00 -2.03 4.33 8.25 -0.97 -4.99 115.22 115.41 3fe8 n HIS 24 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 3fe8 n HIS 24 Cb 0.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 3fe8 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fe8 n GLY 25 N 0.72 0.18 3.74 -1.41 0.00 -0.34 -4.32 105.19 103.76 3fe8 n GLY 25 Ca 0.04 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3fe8 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fe8 s THR 26 N -2.33 3.87 0.18 2.61 2.01 -0.71 -4.94 115.64 116.33 3fe8 s THR 26 Ca 0.00 1.71 0.04 0.00 0.31 0.00 0.00 61.69 63.75 3fe8 s THR 26 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3fe8 s THR 26 CO 0.00 0.34 0.24 0.42 -0.69 0.00 0.00 174.62 174.93 3fe8 s THR 27 N -0.60 4.98 0.43 -0.82 -4.23 -1.26 -4.78 115.64 109.36 3fe8 s THR 27 Ca 0.46 -0.91 0.12 0.00 -1.18 0.00 0.00 61.69 60.18 3fe8 s THR 27 Cb -0.29 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 70.15 3fe8 s THR 27 CO 0.35 -0.15 1.99 -0.61 -0.54 0.00 0.00 174.62 175.66 3fe8 h GLN 28 N 2.03 0.14 -0.70 3.99 5.75 -2.00 -2.21 115.11 122.12 3fe8 h GLN 28 Ca -0.49 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 57.96 3fe8 h GLN 28 Cb 1.21 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.70 3fe8 h GLN 28 CO 0.65 0.25 0.33 0.00 -2.65 0.00 0.00 178.83 177.42 3fe8 h ALA 29 N 1.77 1.27 -0.40 3.38 0.00 -1.99 0.49 119.26 123.78 3fe8 h ALA 29 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3fe8 h ALA 29 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fe8 h ALA 29 CO 0.01 0.56 -0.20 1.96 0.00 0.00 0.00 179.25 181.59 3fe8 h GLN 30 N 0.99 0.77 -0.45 0.00 4.20 -1.81 -1.43 115.11 117.39 3fe8 h GLN 30 Ca 0.24 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3fe8 h GLN 30 Cb 0.11 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3fe8 h GLN 30 CO -0.03 0.91 -0.05 0.82 -0.67 0.00 0.00 178.83 179.81 3fe8 h ILE 31 N 0.68 1.27 -0.69 2.54 2.04 -1.10 -1.79 117.51 120.47 3fe8 h ILE 31 Ca 0.10 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.85 3fe8 h ILE 31 Cb 0.70 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3fe8 h ILE 31 CO 0.05 0.39 0.44 0.44 0.00 0.00 0.00 178.15 179.47 3fe8 h ASP 32 N 0.66 0.74 0.13 1.72 3.32 -0.78 0.24 116.42 122.46 3fe8 h ASP 32 Ca 0.12 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3fe8 h ASP 32 Cb 0.57 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3fe8 h ASP 32 CO 0.03 0.52 -0.06 -0.78 -1.72 0.00 0.00 179.24 177.23 3fe8 h ASP 33 N 0.88 -0.15 -0.31 6.45 3.58 -1.02 -1.47 116.42 124.38 3fe8 h ASP 33 Ca 0.27 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 3fe8 h ASP 33 Cb -0.03 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3fe8 h ASP 33 CO -0.09 0.01 -0.05 1.62 -2.88 0.00 0.00 179.24 177.86 3fe8 h VAL 34 N -0.31 1.24 -0.64 2.25 3.04 -1.13 -0.20 116.25 120.50 3fe8 h VAL 34 Ca -0.02 -1.01 0.04 0.00 -1.01 0.00 0.00 66.70 64.70 3fe8 h VAL 34 Cb 0.24 0.97 -0.04 0.00 -2.01 0.00 0.00 31.29 30.46 3fe8 h VAL 34 CO 0.03 0.35 0.43 -0.78 -1.01 0.00 0.00 177.57 176.58 3fe8 h ASP 35 N 0.64 0.65 0.17 3.17 -0.00 -0.72 -0.22 116.42 120.11 3fe8 h ASP 35 Ca 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.15 3fe8 h ASP 35 Cb 0.47 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 3fe8 h ASP 35 CO 0.02 0.45 -0.03 0.29 -0.00 0.00 0.00 179.24 179.97 3fe8 n LYS 36 N -4.46 0.94 -0.13 0.28 5.02 -0.57 -4.76 118.16 114.48 3fe8 n LYS 36 Ca 0.08 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3fe8 n LYS 36 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3fe8 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fe8 n GLY 37 N 1.14 0.93 3.40 0.72 0.00 -0.09 -5.06 105.19 106.22 3fe8 n GLY 37 Ca 0.19 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3fe8 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fe8 s ASN 38 N -2.07 5.56 -0.00 1.61 0.01 -0.15 -4.97 114.94 114.93 3fe8 s ASN 38 Ca 0.00 -0.72 0.00 0.00 -0.71 0.00 0.00 52.86 51.43 3fe8 s ASN 38 Cb 0.00 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.67 3fe8 s ASN 38 CO 0.00 -0.26 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.11 3fe8 s LEU 39 N 1.58 1.89 0.28 0.60 2.96 -1.26 -2.73 118.68 122.00 3fe8 s LEU 39 Ca 0.03 -0.00 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 3fe8 s LEU 39 Cb -0.18 -0.03 -0.06 0.00 0.50 0.00 0.00 46.19 46.42 3fe8 s LEU 39 CO 0.06 -0.01 -0.08 0.68 -1.32 0.00 0.00 176.35 175.68 3fe8 s VAL 40 N 0.11 1.77 -1.43 1.68 -7.23 -1.26 -5.04 120.40 109.00 3fe8 s VAL 40 Ca -0.01 -2.16 -0.09 0.00 -1.81 0.00 0.00 61.98 57.91 3fe8 s VAL 40 Cb -0.02 -2.42 0.05 0.00 0.56 0.00 0.00 36.38 34.56 3fe8 s VAL 40 CO -0.00 -0.33 2.48 -3.20 -0.31 0.00 0.00 175.10 173.73 3fe8 n ASN 41 N -0.59 7.32 -4.45 4.85 4.05 -1.26 -4.78 115.26 120.40 3fe8 n ASN 41 Ca -0.06 -2.91 -0.36 0.00 0.45 0.00 0.00 54.58 51.70 3fe8 n ASN 41 Cb 0.63 -1.48 -0.12 0.00 1.23 0.00 0.00 39.78 40.03 3fe8 n ASN 41 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3fe8 s GLU 42 N 0.70 3.66 0.45 1.20 0.41 -1.26 -5.01 118.70 118.85 3fe8 s GLU 42 Ca 0.56 -0.48 0.19 0.00 -0.41 0.00 0.00 54.97 54.84 3fe8 s GLU 42 Cb 0.16 -3.28 1.15 0.00 -1.78 0.00 0.00 34.13 30.39 3fe8 s GLU 42 CO -0.07 -0.13 1.89 -1.35 -0.49 0.00 0.00 175.26 175.11 3fe8 h PRO 43 N 8.03 0.32 0.00 0.39 0.11 -1.97 -0.17 132.00 138.71 3fe8 h PRO 43 Ca -0.38 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 3fe8 h PRO 43 Cb 1.17 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fe8 h PRO 43 CO 0.59 0.21 -0.09 0.66 -0.21 0.00 0.00 178.00 179.16 3fe8 h SER 44 N 0.32 0.00 0.02 -2.05 4.64 -1.93 0.13 113.55 114.68 3fe8 h SER 44 Ca 0.41 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.35 3fe8 h SER 44 Cb 1.12 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.15 3fe8 h SER 44 CO -0.12 0.09 -2.41 0.00 -0.87 0.00 0.00 176.83 173.52 3fe8 n ILE 45 N -3.99 1.49 -0.04 0.95 0.13 -0.33 -3.98 119.36 113.59 3fe8 n ILE 45 Ca -0.02 -0.65 -0.12 0.00 -1.10 0.00 0.00 62.75 60.86 3fe8 n ILE 45 Cb 0.18 -1.22 0.01 0.00 -0.84 0.00 0.00 39.64 37.78 3fe8 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3fe8 h THR 46 N 0.01 1.30 0.00 9.51 1.35 -0.96 -2.12 112.91 122.00 3fe8 h THR 46 Ca -0.56 -1.74 -0.10 0.00 -0.55 0.00 0.00 66.41 63.46 3fe8 h THR 46 Cb 1.99 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 70.07 3fe8 h THR 46 CO -0.05 0.56 -0.48 0.00 -0.25 0.00 0.00 175.52 175.30 3fe8 h TYR 48 N 0.00 0.73 -0.54 0.00 3.20 -1.61 0.48 116.97 119.23 3fe8 h TYR 48 Ca -0.00 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 3fe8 h TYR 48 Cb 0.91 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3fe8 h TYR 48 CO 0.00 0.68 0.13 0.52 -1.64 0.00 0.00 178.16 177.85 3fe8 h MET 49 N 0.58 0.87 -0.47 1.82 2.86 -1.08 -1.73 114.93 117.78 3fe8 h MET 49 Ca 0.14 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3fe8 h MET 49 Cb 0.31 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3fe8 h MET 49 CO 0.00 0.82 0.27 -0.92 1.06 0.00 0.00 176.91 178.15 3fe8 h TYR 50 N 0.77 0.63 -0.42 -0.22 3.20 -1.13 -2.01 116.97 117.80 3fe8 h TYR 50 Ca 0.17 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.08 3fe8 h TYR 50 Cb 0.35 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 3fe8 h TYR 50 CO 0.02 0.46 0.17 0.00 -1.64 0.00 0.00 178.16 177.17 3fe8 h LEU 52 N 0.34 0.80 -0.74 0.00 5.85 -1.16 -1.50 115.31 118.91 3fe8 h LEU 52 Ca 0.19 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3fe8 h LEU 52 Cb 0.15 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3fe8 h LEU 52 CO -0.17 1.05 0.46 -0.07 -0.34 0.00 0.00 178.44 179.37 3fe8 h LEU 53 N 0.56 0.87 -1.00 2.25 3.38 -0.93 -2.45 115.31 117.99 3fe8 h LEU 53 Ca 0.07 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3fe8 h LEU 53 Cb 0.77 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3fe8 h LEU 53 CO 0.06 0.66 -0.05 -0.08 0.09 0.00 0.00 178.44 179.12 3fe8 h GLU 54 N 1.00 0.67 0.00 1.13 4.22 -0.73 -0.63 114.58 120.24 3fe8 h GLU 54 Ca 0.27 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.49 3fe8 h GLU 54 Cb -0.07 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3fe8 h GLU 54 CO -0.05 0.72 -0.15 0.00 -2.18 0.00 0.00 179.01 177.35 3fe8 h ALA 55 N 1.33 1.35 -0.14 2.92 0.00 -0.79 -2.69 119.26 121.25 3fe8 h ALA 55 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fe8 h ALA 55 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fe8 h ALA 55 CO 0.02 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.65 3fe8 n PHE 56 N -3.77 0.49 -2.51 0.00 3.72 -0.98 -4.97 117.46 109.44 3fe8 n PHE 56 Ca -0.02 -0.93 -0.20 0.00 -0.05 0.00 0.00 57.45 56.25 3fe8 n PHE 56 Cb 0.25 -0.24 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 3fe8 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3fe8 n SER 57 N -0.95 -5.68 0.06 4.37 7.64 -0.99 -4.87 113.62 113.19 3fe8 n SER 57 Ca 0.19 -0.04 0.12 0.00 1.01 0.00 0.00 58.87 60.15 3fe8 n SER 57 Cb 0.77 -4.72 0.14 0.00 -1.01 0.00 0.00 64.21 59.39 3fe8 n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fe8 h LEU 58 N -0.22 0.00 -8.16 -3.43 3.38 -1.37 -3.44 115.31 102.06 3fe8 h LEU 58 Ca -0.48 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.11 3fe8 h LEU 58 Cb 1.35 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.93 3fe8 h LEU 58 CO 0.55 0.12 -0.69 0.68 0.09 0.00 0.00 178.44 179.19 3fe8 s VAL 59 N -3.18 0.22 0.00 1.22 -7.23 -1.24 -1.05 120.40 109.14 3fe8 s VAL 59 Ca 0.05 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3fe8 s VAL 59 Cb 0.13 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 36.00 3fe8 s VAL 59 CO 0.74 -0.80 0.00 -0.90 -0.31 0.00 0.00 175.10 173.83 3fe8 n ASP 60 N 0.66 0.00 0.00 4.85 5.68 -0.51 -4.68 116.55 122.54 3fe8 n ASP 60 Ca -0.18 -0.75 0.11 0.00 -0.50 0.00 0.00 54.79 53.47 3fe8 n ASP 60 Cb 0.59 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.14 3fe8 n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3fe8 n ASP 61 N -2.26 0.00 -0.11 -1.12 5.75 -1.26 -2.12 116.55 115.43 3fe8 n ASP 61 Ca 0.00 -0.13 0.10 0.00 -0.01 0.00 0.00 54.79 54.75 3fe8 n ASP 61 Cb 0.00 -0.24 0.14 0.00 -1.03 0.00 0.00 41.12 39.99 3fe8 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fe8 n GLU 62 N -1.24 1.28 -2.43 0.11 -0.58 -1.26 -4.98 120.64 111.54 3fe8 n GLU 62 Ca 0.11 -2.60 -0.20 0.00 -0.42 0.00 0.00 57.16 54.05 3fe8 n GLU 62 Cb 0.16 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 3fe8 n GLU 62 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fe8 n ALA 63 N -1.39 -0.64 -2.58 0.62 0.00 -0.90 -4.91 120.51 110.70 3fe8 n ALA 63 Ca 0.16 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 3fe8 n ALA 63 Cb 0.64 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 3fe8 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3fe8 s ASN 64 N -2.07 7.32 0.12 0.00 0.01 -1.26 -4.75 114.94 114.31 3fe8 s ASN 64 Ca 0.01 1.76 -0.28 0.00 -0.71 0.00 0.00 52.86 53.64 3fe8 s ASN 64 Cb -0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 3fe8 s ASN 64 CO 0.01 -0.28 0.89 -0.69 -1.51 0.00 0.00 177.10 175.53 3fe8 s VAL 65 N 0.86 4.49 -0.73 1.60 1.01 -1.26 -1.43 120.40 124.94 3fe8 s VAL 65 Ca 0.53 1.93 -0.22 0.00 0.00 0.00 0.00 61.98 64.22 3fe8 s VAL 65 Cb -0.23 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 31.97 3fe8 s VAL 65 CO 0.29 0.37 1.02 -0.62 0.00 0.00 0.00 175.10 176.16 3fe8 s ASP 66 N -0.27 6.27 0.22 3.32 -1.08 -0.21 -4.92 116.67 119.99 3fe8 s ASP 66 Ca 0.43 -1.19 -0.06 0.00 -0.52 0.00 0.00 52.55 51.22 3fe8 s ASP 66 Cb -0.23 -2.43 0.19 0.00 -1.46 0.00 0.00 42.92 39.00 3fe8 s ASP 66 CO 0.28 -1.39 1.70 -0.08 0.52 0.00 0.00 175.17 176.21 3fe8 h GLU 67 N 9.46 0.97 -0.56 4.34 4.81 -1.94 -1.59 114.58 130.06 3fe8 h GLU 67 Ca -0.19 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 3fe8 h GLU 67 Cb 1.06 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3fe8 h GLU 67 CO 1.18 0.94 0.03 -0.44 -0.73 0.00 0.00 179.01 179.99 3fe8 h ASP 68 N 0.90 0.91 -0.28 1.04 3.32 -1.99 0.97 116.42 121.29 3fe8 h ASP 68 Ca 0.17 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3fe8 h ASP 68 Cb 0.49 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3fe8 h ASP 68 CO 0.02 0.95 -0.16 0.40 -1.72 0.00 0.00 179.24 178.74 3fe8 h ILE 69 N 0.88 1.30 -0.03 0.35 2.04 -1.87 -1.80 117.51 118.38 3fe8 h ILE 69 Ca 0.17 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.79 3fe8 h ILE 69 Cb 0.47 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3fe8 h ILE 69 CO 0.02 0.40 -0.13 -0.03 0.00 0.00 0.00 178.15 178.41 3fe8 h MET 70 N 0.33 -0.20 -0.80 2.37 4.05 -0.94 -2.10 114.93 117.63 3fe8 h MET 70 Ca 0.06 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.56 3fe8 h MET 70 Cb 0.68 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.48 3fe8 h MET 70 CO 0.04 -0.14 0.52 -0.07 0.23 0.00 0.00 176.91 177.50 3fe8 h LEU 71 N -0.21 0.76 -1.92 3.39 3.38 -0.76 -1.66 115.31 118.30 3fe8 h LEU 71 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3fe8 h LEU 71 Cb 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3fe8 h LEU 71 CO -0.15 0.49 -0.09 1.23 0.09 0.00 0.00 178.44 180.01 3fe8 h GLY 72 N 0.86 0.00 1.02 0.83 0.00 -0.64 -2.49 103.07 102.65 3fe8 h GLY 72 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.55 3fe8 h GLY 72 CO -0.12 0.00 -1.29 1.41 0.00 0.00 0.00 176.54 176.54 3fe8 h LEU 73 N 0.00 0.00-10.04 3.11 3.38 -1.01 -3.47 115.31 107.29 3fe8 h LEU 73 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3fe8 h LEU 73 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3fe8 h LEU 73 CO 0.01 0.44 0.13 -0.76 0.09 0.00 0.00 178.44 178.35 3fe8 s LEU 74 N -5.70 4.01 0.89 1.67 1.43 -0.94 -5.06 118.68 114.98 3fe8 s LEU 74 Ca -0.02 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 3fe8 s LEU 74 Cb 0.09 -4.13 0.12 0.00 0.03 0.00 0.00 46.19 42.30 3fe8 s LEU 74 CO 0.80 -0.25 1.10 -2.16 0.23 0.00 0.00 176.35 176.07 3fe8 s PRO 75 N -3.13 1.35 0.33 1.29 0.04 -1.26 -4.91 135.00 128.72 3fe8 s PRO 75 Ca 0.55 0.68 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3fe8 s PRO 75 Cb -0.10 -1.83 0.58 0.00 0.04 0.00 0.00 34.50 33.19 3fe8 s PRO 75 CO 0.19 -2.14 1.99 0.38 0.04 0.00 0.00 177.00 177.46 3fe8 h ASP 76 N -1.47 0.80 0.51 6.66 -0.00 -1.97 -2.00 116.42 118.95 3fe8 h ASP 76 Ca -0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 56.52 3fe8 h ASP 76 Cb 1.29 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.42 3fe8 h ASP 76 CO 0.57 0.57 0.00 0.00 -0.00 0.00 0.00 179.24 180.38 3fe8 n GLN 77 N -4.43 0.05 0.00 4.15 0.00 -1.26 -2.50 117.38 113.38 3fe8 n GLN 77 Ca 0.08 0.20 0.07 0.00 0.00 0.00 0.00 57.00 57.36 3fe8 n GLN 77 Cb 0.05 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 28.83 3fe8 n GLN 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3fe8 n LEU 78 N -1.46 2.02 0.09 2.61 4.77 -0.75 -4.72 117.00 119.56 3fe8 n LEU 78 Ca 0.05 -0.93 -0.13 0.00 -0.03 0.00 0.00 56.01 54.96 3fe8 n LEU 78 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3fe8 n LEU 78 CO 0.15 0.37 0.78 1.56 -1.33 0.00 0.00 177.39 178.92 3fe8 h GLN 79 N 2.53 -0.16 -0.27 3.23 1.08 -1.46 -0.80 115.11 119.26 3fe8 h GLN 79 Ca 0.00 0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.05 3fe8 h GLN 79 Cb 0.58 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 3fe8 h GLN 79 CO 0.00 -0.03 -0.48 0.93 -0.95 0.00 0.00 178.83 178.30 3fe8 h GLU 80 N -0.25 0.74 -0.70 1.46 4.39 -1.84 -1.54 114.58 116.83 3fe8 h GLU 80 Ca -0.02 -0.43 0.01 0.00 0.34 0.00 0.00 59.36 59.26 3fe8 h GLU 80 Cb 0.20 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3fe8 h GLU 80 CO 0.03 1.05 0.47 -0.09 -1.16 0.00 0.00 179.01 179.31 3fe8 h ARG 81 N 0.59 0.92 -0.64 2.33 2.43 -1.82 -0.69 114.38 117.50 3fe8 h ARG 81 Ca 0.03 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3fe8 h ARG 81 Cb 1.05 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 3fe8 h ARG 81 CO 0.10 0.61 0.09 0.00 -1.51 0.00 0.00 179.97 179.26 3fe8 h ALA 82 N 1.26 0.85 -0.44 2.80 0.00 -0.90 0.17 119.26 123.00 3fe8 h ALA 82 Ca 0.26 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3fe8 h ALA 82 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3fe8 h ALA 82 CO -0.06 0.63 -0.09 1.96 0.00 0.00 0.00 179.25 181.69 3fe8 h GLN 83 N 0.98 0.78 -0.24 0.00 4.20 -0.88 0.12 115.11 120.07 3fe8 h GLN 83 Ca 0.19 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3fe8 h GLN 83 Cb 0.46 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3fe8 h GLN 83 CO 0.02 0.84 -0.01 1.03 -0.67 0.00 0.00 178.83 180.04 3fe8 h SER 84 N 0.71 0.42 -0.63 1.46 0.87 -0.53 0.12 113.55 115.97 3fe8 h SER 84 Ca 0.12 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 3fe8 h SER 84 Cb 0.56 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3fe8 h SER 84 CO 0.03 0.64 0.18 0.58 -0.53 0.00 0.00 176.83 177.73 3fe8 h VAL 85 N 0.19 1.25 0.00 2.23 2.07 -0.50 -2.25 116.25 119.24 3fe8 h VAL 85 Ca 0.07 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 3fe8 h VAL 85 Cb 0.43 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3fe8 h VAL 85 CO 0.01 0.33 -0.51 0.24 0.02 0.00 0.00 177.57 177.66 3fe8 h MET 86 N 0.91 0.00 -1.01 1.57 2.07 -0.72 0.52 114.93 118.27 3fe8 h MET 86 Ca 0.20 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.84 3fe8 h MET 86 Cb 0.32 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.00 3fe8 h MET 86 CO -0.00 0.51 0.67 0.78 1.07 0.00 0.00 176.91 179.94 3fe8 h GLY 87 N 1.61 1.42 1.01 8.32 0.00 -0.43 -1.65 103.07 113.35 3fe8 h GLY 87 Ca -0.01 -0.53 -0.28 0.00 0.00 0.00 0.00 47.33 46.51 3fe8 h GLY 87 CO 0.07 0.52 -1.26 1.70 0.00 0.00 0.00 176.54 177.57 3fe8 h LYS 88 N 1.36 0.44 0.00 4.80 3.64 -0.86 -3.39 116.57 122.57 3fe8 h LYS 88 Ca 0.37 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3fe8 h LYS 88 Cb -0.16 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3fe8 h LYS 88 CO -0.08 1.36 -0.91 0.00 -2.27 0.00 0.00 179.45 177.55 3fe8 s LEU 90 N -3.31 3.58 0.58 0.00 1.43 -0.63 -4.18 118.68 116.16 3fe8 s LEU 90 Ca 0.07 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 3fe8 s LEU 90 Cb 0.16 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3fe8 s LEU 90 CO 0.81 0.21 1.02 -2.16 0.23 0.00 0.00 176.35 176.46 3fe8 s PRO 91 N -2.10 3.56 0.53 1.29 0.04 -1.26 -4.84 135.00 132.22 3fe8 s PRO 91 Ca 0.25 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 62.07 3fe8 s PRO 91 Cb -0.12 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 3fe8 s PRO 91 CO 0.17 -0.60 1.19 0.95 0.04 0.00 0.00 177.00 178.75 3fe8 s THR 92 N -2.74 2.85 0.05 1.26 -4.23 -1.26 -5.07 115.64 106.51 3fe8 s THR 92 Ca 0.59 0.58 -0.10 0.00 -1.18 0.00 0.00 61.69 61.58 3fe8 s THR 92 Cb -0.12 -3.26 0.01 0.00 1.34 0.00 0.00 72.50 70.46 3fe8 s THR 92 CO 0.40 -0.07 0.22 -0.94 -0.54 0.00 0.00 174.62 173.69 3fe8 s SER 93 N -1.49 0.01 0.00 3.99 1.04 -1.26 -5.03 113.70 110.96 3fe8 s SER 93 Ca 0.71 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.77 3fe8 s SER 93 Cb -0.29 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3fe8 s SER 93 CO 0.34 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3fe8 n GLY 94 N 0.56 -0.87 0.13 7.32 0.00 -1.26 -4.21 105.19 106.86 3fe8 n GLY 94 Ca -0.18 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.80 3fe8 n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fe8 h SER 95 N 0.00 0.00 -5.43 1.61 4.64 -1.99 -3.44 113.55 108.94 3fe8 h SER 95 Ca 0.00 -0.02 0.17 0.00 -0.47 0.00 0.00 61.79 61.47 3fe8 h SER 95 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3fe8 h SER 95 CO 0.00 0.01 0.59 1.51 -0.87 0.00 0.00 176.83 178.07 3fe8 s ASP 96 N -4.96 -0.01 0.21 4.97 1.47 -1.26 -5.02 116.67 112.07 3fe8 s ASP 96 Ca 0.09 -0.62 -0.10 0.00 1.18 0.00 0.00 52.55 53.10 3fe8 s ASP 96 Cb 0.10 0.48 0.15 0.00 -0.34 0.00 0.00 42.92 43.32 3fe8 s ASP 96 CO 0.63 -0.94 1.84 0.78 0.68 0.00 0.00 175.17 178.15 3fe8 h ASN 97 N 2.00 0.95 -0.50 2.11 2.35 -1.90 -0.65 115.58 119.93 3fe8 h ASN 97 Ca -0.27 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.32 3fe8 h ASN 97 Cb 1.22 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 3fe8 h ASN 97 CO 0.35 0.76 0.01 0.00 -1.65 0.00 0.00 177.43 176.89 3fe8 h ASN 99 N 0.74 0.30 -0.61 0.00 -1.24 -1.82 -0.00 115.58 112.96 3fe8 h ASN 99 Ca 0.14 -0.14 0.02 0.00 0.71 0.00 0.00 56.30 57.03 3fe8 h ASN 99 Cb 0.50 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 3fe8 h ASN 99 CO 0.02 0.71 0.39 0.11 -1.29 0.00 0.00 177.43 177.38 3fe8 h LYS 100 N 0.23 0.76 -0.14 6.67 1.57 -0.95 -0.68 116.57 124.04 3fe8 h LYS 100 Ca 0.02 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 3fe8 h LYS 100 Cb 0.88 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3fe8 h LYS 100 CO 0.07 0.50 -0.58 0.82 -0.57 0.00 0.00 179.45 179.70 3fe8 h ILE 101 N 0.78 1.34 -0.11 1.86 1.08 -1.00 -1.10 117.51 120.37 3fe8 h ILE 101 Ca 0.23 -1.86 0.04 0.00 -0.39 0.00 0.00 64.86 62.88 3fe8 h ILE 101 Cb -0.05 1.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.51 3fe8 h ILE 101 CO -0.07 0.57 -0.21 0.22 -0.69 0.00 0.00 178.15 177.96 3fe8 h TYR 102 N 0.34 -0.56 -0.74 1.37 3.20 -0.61 0.26 116.97 120.23 3fe8 h TYR 102 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3fe8 h TYR 102 Cb 1.11 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.61 3fe8 h TYR 102 CO 0.04 -0.29 0.33 -0.91 -1.64 0.00 0.00 178.16 175.68 3fe8 h ASN 103 N -0.28 0.98 -0.12 -2.11 -0.26 -0.91 -0.47 115.58 112.40 3fe8 h ASN 103 Ca 0.09 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 3fe8 h ASN 103 Cb 0.42 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3fe8 h ASN 103 CO -0.27 0.85 0.04 0.25 -1.06 0.00 0.00 177.43 177.23 3fe8 h LEU 104 N 1.06 0.17 -0.79 1.61 5.85 -0.92 -2.29 115.31 120.00 3fe8 h LEU 104 Ca 0.25 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3fe8 h LEU 104 Cb 0.15 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3fe8 h LEU 104 CO -0.03 0.33 0.49 0.00 -0.34 0.00 0.00 178.44 178.90 3fe8 h ALA 105 N 0.85 1.07 -0.70 1.25 0.00 -0.09 -0.62 119.26 121.02 3fe8 h ALA 105 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3fe8 h ALA 105 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3fe8 h ALA 105 CO -0.00 0.25 0.27 0.87 0.00 0.00 0.00 179.25 180.64 3fe8 h LYS 106 N 0.92 1.05 -0.18 0.00 1.79 -0.94 -0.32 116.57 118.89 3fe8 h LYS 106 Ca 0.34 -0.20 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 3fe8 h LYS 106 Cb 0.11 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3fe8 h LYS 106 CO -0.15 0.87 -0.26 0.00 -1.08 0.00 0.00 179.45 178.83 3fe8 h VAL 108 N 0.14 1.29 -0.61 0.00 2.07 -1.03 -1.43 116.25 116.69 3fe8 h VAL 108 Ca 0.02 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.23 3fe8 h VAL 108 Cb 0.84 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3fe8 h VAL 108 CO 0.06 0.39 0.07 -0.61 0.02 0.00 0.00 177.57 177.51 3fe8 h GLN 109 N 0.37 1.01 -0.15 1.57 -0.00 -1.07 -0.77 115.11 116.07 3fe8 h GLN 109 Ca 0.07 -0.27 -0.13 0.00 -0.00 0.00 0.00 58.65 58.32 3fe8 h GLN 109 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 3fe8 h GLN 109 CO 0.04 0.94 -0.47 1.49 0.00 0.00 0.00 178.83 180.84 3fe8 h GLU 110 N 0.94 0.38 0.00 1.69 4.22 -1.29 -2.01 114.58 118.51 3fe8 h GLU 110 Ca 0.18 -0.21 -0.07 0.00 0.08 0.00 0.00 59.36 59.35 3fe8 h GLU 110 Cb 0.44 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3fe8 h GLU 110 CO 0.02 0.77 -0.53 0.77 -2.18 0.00 0.00 179.01 177.85 3fe8 h SER 111 N 0.30 0.00 -1.04 1.04 0.02 -0.74 -3.39 113.55 109.74 3fe8 h SER 111 Ca 0.02 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.60 3fe8 h SER 111 Cb 0.94 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.20 3fe8 h SER 111 CO 0.08 0.32 -0.84 0.00 -1.14 0.00 0.00 176.83 175.25 3fe8 n ALA 112 N -2.21 0.67 0.24 3.77 0.00 -0.34 -4.99 120.51 117.64 3fe8 n ALA 112 Ca 0.01 -2.47 0.07 0.00 0.00 0.00 0.00 53.44 51.04 3fe8 n ALA 112 Cb 0.67 -1.04 0.56 0.00 0.00 0.00 0.00 19.45 19.64 3fe8 n ALA 112 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fe8 h PRO 113 N 3.01 0.00 0.00 0.00 0.13 -1.57 -2.37 132.00 131.20 3fe8 h PRO 113 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fe8 h PRO 113 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3fe8 h PRO 113 CO 0.32 0.12 0.00 -0.40 -0.23 0.00 0.00 178.00 177.81 3fe8 n ASP 114 N -4.38 0.59 -0.01 1.44 5.75 -1.26 -3.06 116.55 115.63 3fe8 n ASP 114 Ca -0.03 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 3fe8 n ASP 114 Cb 0.19 -0.74 -0.00 0.00 -1.03 0.00 0.00 41.12 39.54 3fe8 n ASP 114 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3fe8 n VAL 115 N -2.10 0.00 -1.72 2.12 0.24 -0.92 -5.04 118.33 110.91 3fe8 n VAL 115 Ca 0.04 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 3fe8 n VAL 115 Cb 0.32 1.01 -0.01 0.00 -1.47 0.00 0.00 33.84 33.68 3fe8 n VAL 115 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 3fe8 n TRP 116 N -0.58 2.59 -3.49 6.34 -0.00 -1.03 -5.03 117.44 116.24 3fe8 n TRP 116 Ca 0.00 0.40 -0.14 0.00 -0.00 0.00 0.00 57.50 57.76 3fe8 n TRP 116 Cb 0.01 -2.51 -0.04 0.00 -0.00 0.00 0.00 31.31 28.77 3fe8 n TRP 116 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 177.69 177.10 3fe8 s PHE 117 N -0.45 -0.55 -0.04 5.87 -0.12 -1.26 -5.02 117.98 116.40 3fe8 s PHE 117 Ca 0.61 0.70 0.00 0.00 -0.05 0.00 0.00 56.93 58.19 3fe8 s PHE 117 Cb -0.55 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 3fe8 s PHE 117 CO 0.55 -0.66 -0.02 0.08 -0.05 0.00 0.00 175.22 175.11 3fe8 s VAL 118 N -2.29 0.38 -2.44 -2.49 1.01 -1.26 -5.01 120.40 108.29 3fe8 s VAL 118 Ca -0.04 -0.00 0.28 0.00 0.00 0.00 0.00 61.98 62.22 3fe8 s VAL 118 Cb -0.01 -0.46 0.59 0.00 0.00 0.00 0.00 36.38 36.51 3fe8 s VAL 118 CO -0.01 0.20 1.80 0.00 0.00 0.00 0.00 175.10 177.09