#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fe9 h TRP 4 N 0.00 0.00 -3.20 -0.67 5.08 -1.99 -3.44 115.95 111.73 3fe9 h TRP 4 Ca 0.00 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.41 3fe9 h TRP 4 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 3fe9 h TRP 4 CO 0.00 0.00 0.62 0.08 -1.28 0.00 0.00 178.44 177.86 3fe9 s VAL 5 N -3.23 4.69 0.32 0.12 1.01 -1.26 -4.95 120.40 117.09 3fe9 s VAL 5 Ca 0.07 1.97 -0.24 0.00 0.00 0.00 0.00 61.98 63.78 3fe9 s VAL 5 Cb 0.10 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 3fe9 s VAL 5 CO 0.54 -0.02 0.91 -2.16 0.00 0.00 0.00 175.10 174.36 3fe9 s PRO 6 N 2.22 4.48 0.46 2.72 0.04 -1.26 -4.95 135.00 138.71 3fe9 s PRO 6 Ca 0.49 1.22 0.31 0.00 0.04 0.00 0.00 61.00 63.06 3fe9 s PRO 6 Cb -0.19 -2.74 1.33 0.00 0.04 0.00 0.00 34.50 32.95 3fe9 s PRO 6 CO 0.17 0.26 1.92 -1.35 0.04 0.00 0.00 177.00 178.04 3fe9 h PRO 7 N 3.05 0.00 0.00 0.56 0.11 -1.98 -2.76 132.00 130.99 3fe9 h PRO 7 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3fe9 h PRO 7 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fe9 h PRO 7 CO 0.65 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.20 3fe9 h GLU 8 N 0.00 0.00 0.00 1.05 3.07 -2.03 -3.05 114.58 113.61 3fe9 h GLU 8 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3fe9 h GLU 8 Cb 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3fe9 h GLU 8 CO 0.00 0.16 -0.24 -0.24 -1.40 0.00 0.00 179.01 177.29 3fe9 h VAL 9 N 0.00 0.94 -0.21 3.13 3.04 -1.90 -3.10 116.25 118.15 3fe9 h VAL 9 Ca -0.00 -0.88 -0.03 0.00 -1.01 0.00 0.00 66.70 64.78 3fe9 h VAL 9 Cb 0.40 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3fe9 h VAL 9 CO 0.02 0.23 0.03 -0.26 -1.01 0.00 0.00 177.57 176.58 3fe9 h PHE 10 N 0.00 0.38 -0.03 3.17 0.04 -1.76 -1.92 116.94 116.82 3fe9 h PHE 10 Ca -0.00 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 3fe9 h PHE 10 Cb 0.49 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 3fe9 h PHE 10 CO 0.00 0.50 -0.67 0.22 -0.60 0.00 0.00 178.31 177.76 3fe9 h ASP 11 N 0.14 0.15 -0.87 2.17 3.58 -1.77 -3.05 116.42 116.77 3fe9 h ASP 11 Ca 0.06 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.43 3fe9 h ASP 11 Cb 0.33 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 3fe9 h ASP 11 CO 0.01 0.78 0.58 -0.07 -2.88 0.00 0.00 179.24 177.66 3fe9 h LEU 12 N 0.09 0.99 -0.56 2.28 4.07 -1.37 -2.85 115.31 117.96 3fe9 h LEU 12 Ca -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3fe9 h LEU 12 Cb 1.20 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.70 3fe9 h LEU 12 CO 0.10 0.70 -0.32 1.33 -1.08 0.00 0.00 178.44 179.17 3fe9 n VAL 13 N -4.41 0.00 -0.20 1.22 0.24 -0.76 -4.57 118.33 109.85 3fe9 n VAL 13 Ca 0.10 -0.14 -0.03 0.00 -2.04 0.00 0.00 64.34 62.23 3fe9 n VAL 13 Cb 0.04 0.56 0.07 0.00 -1.47 0.00 0.00 33.84 33.04 3fe9 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fe9 h ALA 14 N 3.68 0.76 -0.20 2.33 0.00 -1.40 0.15 119.26 124.58 3fe9 h ALA 14 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3fe9 h ALA 14 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fe9 h ALA 14 CO 0.00 -0.00 -0.08 1.49 0.00 0.00 0.00 179.25 180.66 3fe9 h GLU 15 N 0.61 0.40 -0.44 0.00 4.81 -1.80 -1.92 114.58 116.24 3fe9 h GLU 15 Ca 0.25 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 3fe9 h GLU 15 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3fe9 h GLU 15 CO -0.15 0.68 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.25 3fe9 h ASP 16 N 0.10 0.79 -0.26 1.04 3.32 -1.80 -1.77 116.42 117.85 3fe9 h ASP 16 Ca 0.05 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.88 3fe9 h ASP 16 Cb 0.55 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3fe9 h ASP 16 CO 0.03 0.93 0.06 0.50 -1.72 0.00 0.00 179.24 179.04 3fe9 h LYS 17 N 0.72 0.16 -0.57 3.56 3.64 -0.57 0.28 116.57 123.78 3fe9 h LYS 17 Ca 0.12 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3fe9 h LYS 17 Cb 0.62 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 3fe9 h LYS 17 CO 0.04 0.10 0.23 0.00 -2.27 0.00 0.00 179.45 177.56 3fe9 h ALA 18 N 1.18 0.75 -0.19 5.00 0.00 -1.13 -0.76 119.26 124.10 3fe9 h ALA 18 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3fe9 h ALA 18 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fe9 h ALA 18 CO -0.15 0.36 0.03 -0.09 0.00 0.00 0.00 179.25 179.41 3fe9 h ARG 19 N 0.79 0.32 -0.79 0.00 2.43 -0.92 -2.06 114.38 114.15 3fe9 h ARG 19 Ca 0.19 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3fe9 h ARG 19 Cb 0.20 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3fe9 h ARG 19 CO -0.02 0.47 0.39 0.00 -1.51 0.00 0.00 179.97 179.30 3fe9 h MET 21 N 1.11 0.87 -0.40 0.00 2.86 -1.01 -2.57 114.93 115.78 3fe9 h MET 21 Ca 0.27 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3fe9 h MET 21 Cb 0.11 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3fe9 h MET 21 CO -0.04 0.75 0.06 0.66 1.06 0.00 0.00 176.91 179.40 3fe9 h SER 22 N 0.80 0.65 -0.59 1.22 4.64 -0.93 -0.36 113.55 118.97 3fe9 h SER 22 Ca 0.19 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3fe9 h SER 22 Cb 0.22 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3fe9 h SER 22 CO -0.01 0.76 0.37 -0.33 -0.87 0.00 0.00 176.83 176.74 3fe9 h GLU 23 N 0.52 0.81 -0.01 4.77 5.08 -0.93 -3.27 114.58 121.55 3fe9 h GLU 23 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3fe9 h GLU 23 Cb 0.39 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3fe9 h GLU 23 CO 0.01 0.56 -0.18 0.72 -1.00 0.00 0.00 179.01 179.11 3fe9 n HIS 24 N -4.42 0.00 -1.54 4.33 8.25 -0.98 -4.98 115.22 115.88 3fe9 n HIS 24 Ca 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.48 3fe9 n HIS 24 Cb 0.06 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 3fe9 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fe9 n GLY 25 N 0.85 0.46 3.74 -1.41 0.00 -0.24 -4.27 105.19 104.32 3fe9 n GLY 25 Ca 0.04 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3fe9 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fe9 s THR 26 N -2.15 3.90 0.16 2.61 2.01 -0.64 -4.93 115.64 116.59 3fe9 s THR 26 Ca 0.00 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.72 3fe9 s THR 26 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3fe9 s THR 26 CO 0.00 0.32 0.32 0.42 -0.69 0.00 0.00 174.62 174.99 3fe9 s THR 27 N -0.49 5.29 0.42 -0.82 -4.23 -1.26 -4.78 115.64 109.78 3fe9 s THR 27 Ca 0.47 -0.56 0.10 0.00 -1.18 0.00 0.00 61.69 60.52 3fe9 s THR 27 Cb -0.29 -3.73 0.22 0.00 1.34 0.00 0.00 72.50 70.04 3fe9 s THR 27 CO 0.35 -0.11 2.01 -0.61 -0.54 0.00 0.00 174.62 175.73 3fe9 h GLN 28 N 2.14 0.30 -0.72 3.99 5.75 -2.00 -2.01 115.11 122.57 3fe9 h GLN 28 Ca -0.48 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 3fe9 h GLN 28 Cb 1.19 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 3fe9 h GLN 28 CO 0.69 0.30 0.37 0.00 -2.65 0.00 0.00 178.83 177.53 3fe9 h ALA 29 N 1.75 1.30 -0.68 3.38 0.00 -1.99 0.03 119.26 123.06 3fe9 h ALA 29 Ca 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3fe9 h ALA 29 Cb 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3fe9 h ALA 29 CO -0.00 0.55 0.14 1.96 0.00 0.00 0.00 179.25 181.90 3fe9 h GLN 30 N 1.01 1.09 -0.44 0.00 4.20 -1.77 -1.45 115.11 117.75 3fe9 h GLN 30 Ca 0.25 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 3fe9 h GLN 30 Cb 0.06 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3fe9 h GLN 30 CO -0.04 0.98 -0.23 0.82 -0.67 0.00 0.00 178.83 179.69 3fe9 h ILE 31 N 1.03 1.27 -0.82 2.54 2.04 -1.09 -2.01 117.51 120.47 3fe9 h ILE 31 Ca 0.21 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 3fe9 h ILE 31 Cb 0.40 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3fe9 h ILE 31 CO 0.01 0.47 0.42 0.44 0.00 0.00 0.00 178.15 179.49 3fe9 h ASP 32 N 0.76 1.05 -0.33 1.72 3.32 -0.83 0.11 116.42 122.23 3fe9 h ASP 32 Ca 0.10 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3fe9 h ASP 32 Cb 0.81 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3fe9 h ASP 32 CO 0.07 0.87 -0.12 0.44 -1.72 0.00 0.00 179.24 178.78 3fe9 h ASP 33 N 1.16 0.67 0.25 6.45 5.19 -1.03 -1.85 116.42 127.27 3fe9 h ASP 33 Ca 0.29 -0.39 -0.13 0.00 -0.62 0.00 0.00 57.03 56.18 3fe9 h ASP 33 Cb 0.08 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 3fe9 h ASP 33 CO -0.04 0.91 -0.51 1.62 -3.12 0.00 0.00 179.24 178.10 3fe9 h VAL 34 N 0.43 1.34 0.00 -1.35 3.04 -1.06 -0.80 116.25 117.85 3fe9 h VAL 34 Ca 0.08 -1.75 -0.03 0.00 -1.01 0.00 0.00 66.70 63.99 3fe9 h VAL 34 Cb 0.64 1.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 3fe9 h VAL 34 CO 0.04 0.52 -0.13 -0.78 -1.01 0.00 0.00 177.57 176.22 3fe9 h ASP 35 N 0.23 0.00 0.12 3.17 3.58 -0.56 -0.36 116.42 122.60 3fe9 h ASP 35 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3fe9 h ASP 35 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 3fe9 h ASP 35 CO 0.08 0.13 -0.12 0.29 -2.88 0.00 0.00 179.24 176.74 3fe9 n LYS 36 N -4.17 1.24 0.00 0.28 5.02 -0.72 -4.70 118.16 115.11 3fe9 n LYS 36 Ca -0.02 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 3fe9 n LYS 36 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3fe9 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fe9 n GLY 37 N 1.25 1.07 3.38 0.72 0.00 -0.15 -5.07 105.19 106.40 3fe9 n GLY 37 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3fe9 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fe9 s ASN 38 N -2.00 5.27 -0.01 1.61 0.01 -0.34 -4.98 114.94 114.50 3fe9 s ASN 38 Ca 0.00 -0.61 0.01 0.00 -0.71 0.00 0.00 52.86 51.55 3fe9 s ASN 38 Cb 0.00 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.74 3fe9 s ASN 38 CO 0.00 -0.18 -0.02 -1.48 -1.51 0.00 0.00 177.10 173.90 3fe9 s LEU 39 N 1.55 1.88 0.28 0.60 0.05 -1.26 -2.82 118.68 118.95 3fe9 s LEU 39 Ca 0.04 -0.05 0.07 0.00 0.05 0.00 0.00 54.13 54.24 3fe9 s LEU 39 Cb -0.17 -0.16 -0.06 0.00 -2.05 0.00 0.00 46.19 43.75 3fe9 s LEU 39 CO 0.04 0.01 -0.07 0.68 -0.55 0.00 0.00 176.35 176.46 3fe9 s VAL 40 N 0.10 1.71 -1.43 1.48 -7.23 -1.26 -5.04 120.40 108.73 3fe9 s VAL 40 Ca -0.01 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 57.95 3fe9 s VAL 40 Cb -0.03 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.49 3fe9 s VAL 40 CO -0.00 -0.31 2.66 -3.20 -0.31 0.00 0.00 175.10 173.94 3fe9 n ASN 41 N -0.59 8.32 -4.55 4.85 5.15 -1.26 -4.77 115.26 122.41 3fe9 n ASN 41 Ca -0.06 -2.89 -0.37 0.00 -0.60 0.00 0.00 54.58 50.67 3fe9 n ASN 41 Cb 0.63 -1.45 -0.11 0.00 -0.53 0.00 0.00 39.78 38.32 3fe9 n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3fe9 s GLU 42 N 0.31 3.85 0.44 1.20 0.41 -1.26 -5.00 118.70 118.65 3fe9 s GLU 42 Ca 0.61 -0.38 0.17 0.00 -0.41 0.00 0.00 54.97 54.97 3fe9 s GLU 42 Cb 0.19 -3.46 1.11 0.00 -1.78 0.00 0.00 34.13 30.19 3fe9 s GLU 42 CO -0.08 -0.10 1.93 -1.35 -0.49 0.00 0.00 175.26 175.17 3fe9 h PRO 43 N 8.01 0.34 0.00 0.39 0.11 -1.96 -0.97 132.00 137.91 3fe9 h PRO 43 Ca -0.37 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3fe9 h PRO 43 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fe9 h PRO 43 CO 0.59 0.23 -0.02 0.66 -0.21 0.00 0.00 178.00 179.25 3fe9 h SER 44 N 0.35 0.00 0.04 -2.05 4.64 -1.92 0.19 113.55 114.80 3fe9 h SER 44 Ca 0.36 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.30 3fe9 h SER 44 Cb 0.91 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.94 3fe9 h SER 44 CO -0.10 0.02 -2.36 0.00 -0.87 0.00 0.00 176.83 173.52 3fe9 n ILE 45 N -4.49 1.55 -0.06 0.95 0.13 -0.50 -3.86 119.36 113.07 3fe9 n ILE 45 Ca -0.03 -0.62 -0.09 0.00 -1.10 0.00 0.00 62.75 60.91 3fe9 n ILE 45 Cb 0.11 -1.40 0.07 0.00 -0.84 0.00 0.00 39.64 37.57 3fe9 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3fe9 h THR 46 N 0.01 1.28 -0.05 9.51 1.35 -1.13 -1.83 112.91 122.06 3fe9 h THR 46 Ca -0.54 -1.50 -0.11 0.00 -0.55 0.00 0.00 66.41 63.71 3fe9 h THR 46 Cb 1.96 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 3fe9 h THR 46 CO -0.04 0.49 -0.49 0.00 -0.25 0.00 0.00 175.52 175.23 3fe9 h TYR 48 N 0.09 0.29 -0.38 0.00 3.20 -1.59 0.92 116.97 119.51 3fe9 h TYR 48 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3fe9 h TYR 48 Cb 0.90 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 3fe9 h TYR 48 CO 0.01 0.15 0.15 0.52 -1.64 0.00 0.00 178.16 177.35 3fe9 h MET 49 N 0.33 0.56 -0.37 1.82 2.86 -1.04 -1.07 114.93 118.03 3fe9 h MET 49 Ca 0.15 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3fe9 h MET 49 Cb 0.08 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3fe9 h MET 49 CO -0.12 0.54 0.18 -0.92 1.06 0.00 0.00 176.91 177.66 3fe9 h TYR 50 N 0.47 0.34 -0.46 -0.22 3.20 -1.24 -1.77 116.97 117.29 3fe9 h TYR 50 Ca 0.13 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.08 3fe9 h TYR 50 Cb 0.18 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3fe9 h TYR 50 CO -0.00 0.18 0.14 0.00 -1.64 0.00 0.00 178.16 176.84 3fe9 h LEU 52 N 0.30 0.91 -0.70 0.00 5.85 -1.04 -1.77 115.31 118.86 3fe9 h LEU 52 Ca 0.22 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3fe9 h LEU 52 Cb 0.24 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3fe9 h LEU 52 CO -0.25 1.36 0.46 -0.07 -0.34 0.00 0.00 178.44 179.60 3fe9 h LEU 53 N 0.56 0.77 -0.94 2.25 3.38 -1.05 -2.72 115.31 117.57 3fe9 h LEU 53 Ca -0.03 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3fe9 h LEU 53 Cb 1.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3fe9 h LEU 53 CO 0.15 0.55 -0.14 -0.08 0.09 0.00 0.00 178.44 179.01 3fe9 h GLU 54 N 0.91 0.61 0.00 1.13 4.22 -0.72 -1.50 114.58 119.24 3fe9 h GLU 54 Ca 0.27 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 3fe9 h GLU 54 Cb -0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3fe9 h GLU 54 CO -0.08 0.73 -0.08 0.00 -2.18 0.00 0.00 179.01 177.40 3fe9 h ALA 55 N 1.29 1.60 -0.22 2.92 0.00 -1.00 -2.01 119.26 121.84 3fe9 h ALA 55 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fe9 h ALA 55 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fe9 h ALA 55 CO 0.04 0.11 -0.01 1.19 0.00 0.00 0.00 179.25 180.57 3fe9 n PHE 56 N -4.06 0.79 -2.11 0.00 3.72 -0.90 -4.97 117.46 109.92 3fe9 n PHE 56 Ca -0.03 -0.97 -0.19 0.00 -0.05 0.00 0.00 57.45 56.21 3fe9 n PHE 56 Cb 0.17 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 3fe9 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3fe9 n SER 57 N -0.74 -5.50 0.13 4.37 7.64 -0.76 -4.88 113.62 113.89 3fe9 n SER 57 Ca 0.22 0.14 0.12 0.00 1.01 0.00 0.00 58.87 60.35 3fe9 n SER 57 Cb 0.86 -4.59 0.06 0.00 -1.01 0.00 0.00 64.21 59.53 3fe9 n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fe9 h LEU 58 N 0.00 0.00 -8.26 -3.43 3.38 -1.52 -3.43 115.31 102.04 3fe9 h LEU 58 Ca -0.44 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.30 3fe9 h LEU 58 Cb 1.32 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.89 3fe9 h LEU 58 CO 0.56 0.01 -0.70 0.68 0.09 0.00 0.00 178.44 179.07 3fe9 s VAL 59 N -3.31 0.48 0.00 1.22 -7.23 -1.25 -0.83 120.40 109.48 3fe9 s VAL 59 Ca 0.02 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3fe9 s VAL 59 Cb 0.09 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.87 3fe9 s VAL 59 CO 0.75 -0.71 0.00 -0.90 -0.31 0.00 0.00 175.10 173.93 3fe9 n ASP 60 N 0.63 0.00 0.00 4.85 5.68 -0.77 -4.60 116.55 122.34 3fe9 n ASP 60 Ca -0.17 -0.57 0.09 0.00 -0.50 0.00 0.00 54.79 53.64 3fe9 n ASP 60 Cb 0.58 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.00 3fe9 n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3fe9 n ASP 61 N -1.71 0.00 -0.18 -1.12 5.75 -1.26 -2.04 116.55 115.98 3fe9 n ASP 61 Ca 0.00 0.11 0.07 0.00 -0.01 0.00 0.00 54.79 54.96 3fe9 n ASP 61 Cb 0.00 -0.32 0.10 0.00 -1.03 0.00 0.00 41.12 39.87 3fe9 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fe9 n GLU 62 N -1.32 0.96 -2.38 0.11 1.02 -1.26 -4.99 120.64 112.79 3fe9 n GLU 62 Ca 0.08 -2.15 -0.19 0.00 -0.02 0.00 0.00 57.16 54.88 3fe9 n GLU 62 Cb 0.15 -1.23 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 3fe9 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fe9 n ALA 63 N -1.05 -0.56 -2.60 0.62 0.00 -0.87 -4.90 120.51 111.15 3fe9 n ALA 63 Ca 0.12 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 3fe9 n ALA 63 Cb 0.65 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 3fe9 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3fe9 s ASN 64 N -2.18 7.26 0.08 0.00 0.01 -1.26 -4.70 114.94 114.15 3fe9 s ASN 64 Ca 0.01 1.79 -0.29 0.00 -0.71 0.00 0.00 52.86 53.66 3fe9 s ASN 64 Cb -0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 3fe9 s ASN 64 CO 0.01 -0.35 0.93 -0.69 -1.51 0.00 0.00 177.10 175.50 3fe9 s VAL 65 N 1.07 4.59 -0.78 1.60 1.01 -1.26 -1.84 120.40 124.79 3fe9 s VAL 65 Ca 0.54 1.99 -0.22 0.00 0.00 0.00 0.00 61.98 64.30 3fe9 s VAL 65 Cb -0.24 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 31.94 3fe9 s VAL 65 CO 0.28 0.30 1.08 -0.62 0.00 0.00 0.00 175.10 176.14 3fe9 s ASP 66 N 0.13 6.34 0.26 3.32 -1.08 -0.01 -4.90 116.67 120.72 3fe9 s ASP 66 Ca 0.46 -1.31 -0.02 0.00 -0.52 0.00 0.00 52.55 51.16 3fe9 s ASP 66 Cb -0.22 -2.44 0.33 0.00 -1.46 0.00 0.00 42.92 39.13 3fe9 s ASP 66 CO 0.28 -1.36 1.75 -0.33 0.52 0.00 0.00 175.17 176.03 3fe9 h GLU 67 N 9.40 0.79 -0.49 4.34 5.08 -1.95 -1.14 114.58 130.62 3fe9 h GLU 67 Ca -0.11 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 3fe9 h GLU 67 Cb 1.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3fe9 h GLU 67 CO 1.19 0.80 -0.15 -0.44 -1.00 0.00 0.00 179.01 179.42 3fe9 h ASP 68 N 0.74 0.98 -0.52 1.42 3.32 -1.99 0.61 116.42 120.98 3fe9 h ASP 68 Ca 0.14 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 3fe9 h ASP 68 Cb 0.46 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3fe9 h ASP 68 CO 0.02 1.13 0.06 0.40 -1.72 0.00 0.00 179.24 179.12 3fe9 h ILE 69 N 0.82 1.26 0.05 0.35 1.08 -1.83 -1.33 117.51 117.90 3fe9 h ILE 69 Ca 0.12 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3fe9 h ILE 69 Cb 0.71 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 3fe9 h ILE 69 CO 0.05 0.36 -0.02 -0.03 -0.69 0.00 0.00 178.15 177.82 3fe9 h MET 70 N 0.76 -0.06 -0.53 2.37 4.05 -0.83 -2.31 114.93 118.38 3fe9 h MET 70 Ca 0.16 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.62 3fe9 h MET 70 Cb 0.44 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 3fe9 h MET 70 CO 0.02 0.03 0.35 -0.07 0.23 0.00 0.00 176.91 177.46 3fe9 h LEU 71 N -0.13 0.50 -1.78 3.39 3.38 -0.79 -1.82 115.31 118.06 3fe9 h LEU 71 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3fe9 h LEU 71 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fe9 h LEU 71 CO 0.01 0.34 -0.14 1.23 0.09 0.00 0.00 178.44 179.97 3fe9 h GLY 72 N 0.57 0.00 1.07 0.83 0.00 -0.69 -2.66 103.07 102.19 3fe9 h GLY 72 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 3fe9 h GLY 72 CO -0.06 0.00 -1.23 1.41 0.00 0.00 0.00 176.54 176.67 3fe9 h LEU 73 N 0.00 0.00-10.04 3.11 3.38 -1.00 -3.47 115.31 107.29 3fe9 h LEU 73 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3fe9 h LEU 73 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3fe9 h LEU 73 CO 0.02 0.41 -0.01 -0.76 0.09 0.00 0.00 178.44 178.19 3fe9 s LEU 74 N -5.72 4.05 1.01 1.67 1.43 -1.00 -5.08 118.68 115.04 3fe9 s LEU 74 Ca -0.02 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.98 3fe9 s LEU 74 Cb 0.09 -3.84 0.19 0.00 0.03 0.00 0.00 46.19 42.66 3fe9 s LEU 74 CO 0.80 -0.19 1.12 -2.16 0.23 0.00 0.00 176.35 176.15 3fe9 s PRO 75 N -3.17 0.35 0.24 1.29 0.04 -1.26 -4.89 135.00 127.59 3fe9 s PRO 75 Ca 0.50 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 3fe9 s PRO 75 Cb -0.11 -1.75 0.26 0.00 0.04 0.00 0.00 34.50 32.94 3fe9 s PRO 75 CO 0.23 -2.73 1.72 0.38 0.04 0.00 0.00 177.00 176.64 3fe9 h ASP 76 N -1.88 0.83 0.36 6.66 2.03 -1.98 -2.22 116.42 120.21 3fe9 h ASP 76 Ca -0.51 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 55.57 3fe9 h ASP 76 Cb 1.32 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 3fe9 h ASP 76 CO 0.54 0.91 0.00 0.00 -1.03 0.00 0.00 179.24 179.66 3fe9 n GLN 77 N -4.19 0.28 0.00 4.15 0.00 -1.26 -2.47 117.38 113.89 3fe9 n GLN 77 Ca 0.02 0.10 0.06 0.00 0.00 0.00 0.00 57.00 57.18 3fe9 n GLN 77 Cb 0.33 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.06 3fe9 n GLN 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3fe9 n LEU 78 N -1.28 1.35 0.03 2.61 4.77 -0.84 -4.75 117.00 118.89 3fe9 n LEU 78 Ca 0.09 -0.76 -0.12 0.00 -0.03 0.00 0.00 56.01 55.20 3fe9 n LEU 78 Cb 0.15 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3fe9 n LEU 78 CO 0.15 0.27 0.85 1.56 -1.33 0.00 0.00 177.39 178.88 3fe9 h GLN 79 N 1.33 0.01 -0.22 3.23 1.08 -1.42 0.32 115.11 119.43 3fe9 h GLN 79 Ca 0.00 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 3fe9 h GLN 79 Cb 0.42 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3fe9 h GLN 79 CO 0.00 0.06 -0.48 0.93 -0.95 0.00 0.00 178.83 178.38 3fe9 h GLU 80 N -0.05 0.60 -0.51 1.46 4.39 -1.85 -1.09 114.58 117.53 3fe9 h GLU 80 Ca 0.00 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 3fe9 h GLU 80 Cb 0.05 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3fe9 h GLU 80 CO -0.00 0.95 0.13 -0.09 -1.16 0.00 0.00 179.01 178.84 3fe9 h ARG 81 N 0.47 0.81 -0.67 2.33 2.43 -1.83 -0.89 114.38 117.04 3fe9 h ARG 81 Ca 0.02 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3fe9 h ARG 81 Cb 1.02 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 3fe9 h ARG 81 CO 0.09 0.77 0.21 0.00 -1.51 0.00 0.00 179.97 179.53 3fe9 h ALA 82 N 1.00 0.88 -0.56 2.80 0.00 -0.75 0.23 119.26 122.86 3fe9 h ALA 82 Ca 0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3fe9 h ALA 82 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3fe9 h ALA 82 CO 0.00 0.56 0.15 1.96 0.00 0.00 0.00 179.25 181.92 3fe9 h GLN 83 N 0.98 0.85 -0.13 0.00 4.20 -0.91 0.11 115.11 120.22 3fe9 h GLN 83 Ca 0.22 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3fe9 h GLN 83 Cb 0.30 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3fe9 h GLN 83 CO -0.01 0.75 -0.07 1.03 -0.67 0.00 0.00 178.83 179.86 3fe9 h SER 84 N 0.82 0.28 -0.57 1.46 0.87 -0.42 -0.86 113.55 115.13 3fe9 h SER 84 Ca 0.18 -0.43 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 3fe9 h SER 84 Cb 0.28 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3fe9 h SER 84 CO -0.00 0.65 0.22 0.58 -0.53 0.00 0.00 176.83 177.74 3fe9 h VAL 85 N -0.08 1.23 0.00 2.23 2.07 -0.31 -1.90 116.25 119.48 3fe9 h VAL 85 Ca 0.03 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3fe9 h VAL 85 Cb 0.55 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3fe9 h VAL 85 CO 0.02 0.28 -0.24 0.24 0.02 0.00 0.00 177.57 177.89 3fe9 h MET 86 N 0.79 0.00 -0.41 1.57 2.07 -0.74 0.64 114.93 118.85 3fe9 h MET 86 Ca 0.19 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.76 3fe9 h MET 86 Cb 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 3fe9 h MET 86 CO -0.01 0.24 0.00 0.78 1.07 0.00 0.00 176.91 178.98 3fe9 h GLY 87 N 0.87 0.70 0.95 8.32 0.00 -0.36 -1.52 103.07 112.03 3fe9 h GLY 87 Ca -0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 47.33 46.60 3fe9 h GLY 87 CO 0.03 0.41 -1.30 1.70 0.00 0.00 0.00 176.54 177.38 3fe9 h LYS 88 N 0.62 0.42 0.00 4.80 3.64 -0.93 -3.40 116.57 121.72 3fe9 h LYS 88 Ca 0.13 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 3fe9 h LYS 88 Cb 0.39 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3fe9 h LYS 88 CO 0.01 1.34 -1.00 0.00 -2.27 0.00 0.00 179.45 177.54 3fe9 s LEU 90 N -3.12 3.44 0.63 0.00 1.43 -0.58 -4.18 118.68 116.30 3fe9 s LEU 90 Ca 0.07 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 3fe9 s LEU 90 Cb 0.16 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3fe9 s LEU 90 CO 0.85 0.18 1.05 -2.16 0.23 0.00 0.00 176.35 176.50 3fe9 s PRO 91 N -2.30 3.22 0.59 1.29 0.04 -1.26 -4.82 135.00 131.76 3fe9 s PRO 91 Ca 0.25 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 3fe9 s PRO 91 Cb -0.12 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3fe9 s PRO 91 CO 0.18 -0.88 1.18 0.95 0.04 0.00 0.00 177.00 178.47 3fe9 s THR 92 N -2.73 2.81 0.01 1.26 -4.23 -1.26 -5.06 115.64 106.45 3fe9 s THR 92 Ca 0.61 0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 61.46 3fe9 s THR 92 Cb -0.15 -3.18 0.02 0.00 1.34 0.00 0.00 72.50 70.54 3fe9 s THR 92 CO 0.44 -0.12 0.33 -0.94 -0.54 0.00 0.00 174.62 173.79 3fe9 s SER 93 N -1.72 -0.19 0.00 3.99 1.04 -1.26 -5.03 113.70 110.53 3fe9 s SER 93 Ca 0.75 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.18 3fe9 s SER 93 Cb -0.28 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3fe9 s SER 93 CO 0.32 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3fe9 n GLY 94 N 0.92 -2.65 0.20 7.32 0.00 -1.26 -4.21 105.19 105.51 3fe9 n GLY 94 Ca -0.20 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.65 3fe9 n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fe9 h SER 95 N 0.00 0.00 -2.28 1.61 4.64 -1.99 -3.44 113.55 112.09 3fe9 h SER 95 Ca 0.00 -0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3fe9 h SER 95 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3fe9 h SER 95 CO 0.00 0.00 0.52 -0.90 -0.87 0.00 0.00 176.83 175.58 3fe9 n ASP 96 N -2.97 -1.50 -0.20 4.97 5.68 -1.26 -5.02 116.55 116.26 3fe9 n ASP 96 Ca 0.04 -1.78 -0.08 0.00 -0.50 0.00 0.00 54.79 52.47 3fe9 n ASP 96 Cb 0.52 2.44 0.02 0.00 -1.14 0.00 0.00 41.12 42.96 3fe9 n ASP 96 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3fe9 h ASN 97 N 1.71 0.75 -0.60 -1.12 2.35 -1.91 0.54 115.58 117.30 3fe9 h ASN 97 Ca -0.24 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 3fe9 h ASN 97 Cb 1.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 3fe9 h ASN 97 CO 0.32 0.70 0.09 0.00 -1.65 0.00 0.00 177.43 176.89 3fe9 h ASN 99 N 0.90 0.18 -0.79 0.00 -1.24 -1.83 -0.06 115.58 112.74 3fe9 h ASN 99 Ca 0.18 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 3fe9 h ASN 99 Cb 0.43 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.39 3fe9 h ASN 99 CO 0.01 0.59 0.44 0.11 -1.29 0.00 0.00 177.43 177.30 3fe9 h LYS 100 N 0.14 1.09 -0.04 6.67 1.57 -0.64 -1.55 116.57 123.81 3fe9 h LYS 100 Ca 0.01 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.48 3fe9 h LYS 100 Cb 0.82 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3fe9 h LYS 100 CO 0.06 0.79 -0.79 0.82 -0.57 0.00 0.00 179.45 179.77 3fe9 h ILE 101 N 1.09 1.42 -0.12 1.86 1.08 -0.86 -1.45 117.51 120.53 3fe9 h ILE 101 Ca 0.28 -2.30 0.04 0.00 -0.39 0.00 0.00 64.86 62.48 3fe9 h ILE 101 Cb 0.01 2.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 3fe9 h ILE 101 CO -0.05 0.68 -0.13 0.22 -0.69 0.00 0.00 178.15 178.19 3fe9 h TYR 102 N 0.20 -0.33 -0.51 1.37 3.20 -0.69 0.17 116.97 120.39 3fe9 h TYR 102 Ca -0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3fe9 h TYR 102 Cb 1.38 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.79 3fe9 h TYR 102 CO 0.04 -0.20 0.01 -0.91 -1.64 0.00 0.00 178.16 175.47 3fe9 h ASN 103 N -0.16 0.82 -0.04 -2.11 -0.26 -1.11 -2.32 115.58 110.39 3fe9 h ASN 103 Ca 0.09 -0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.62 3fe9 h ASN 103 Cb 0.29 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3fe9 h ASN 103 CO -0.22 0.87 0.01 0.25 -1.06 0.00 0.00 177.43 177.29 3fe9 h LEU 104 N 0.79 0.06 0.10 1.61 5.85 -1.02 -2.28 115.31 120.42 3fe9 h LEU 104 Ca 0.15 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3fe9 h LEU 104 Cb 0.46 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3fe9 h LEU 104 CO 0.02 0.30 -0.50 0.00 -0.34 0.00 0.00 178.44 177.91 3fe9 h ALA 105 N 0.77 -0.92 -0.26 1.25 0.00 -0.35 0.98 119.26 120.72 3fe9 h ALA 105 Ca 0.01 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3fe9 h ALA 105 Cb 0.26 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3fe9 h ALA 105 CO 0.00 -1.09 -0.17 0.87 0.00 0.00 0.00 179.25 178.86 3fe9 h LYS 106 N -0.72 -0.15 -0.50 0.00 1.57 -1.48 0.54 116.57 115.84 3fe9 h LYS 106 Ca 0.01 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3fe9 h LYS 106 Cb 0.74 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.01 3fe9 h LYS 106 CO -0.29 -0.10 0.05 0.00 -0.57 0.00 0.00 179.45 178.54 3fe9 h VAL 108 N 0.18 1.32 -0.65 0.00 2.07 -0.06 -2.19 116.25 116.92 3fe9 h VAL 108 Ca 0.25 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3fe9 h VAL 108 Cb 0.36 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3fe9 h VAL 108 CO -0.37 0.37 0.40 -0.61 0.02 0.00 0.00 177.57 177.38 3fe9 h GLN 109 N 0.07 0.88 -0.05 1.57 -0.00 0.56 -0.45 115.11 117.69 3fe9 h GLN 109 Ca 0.04 -0.07 -0.16 0.00 -0.00 0.00 0.00 58.65 58.46 3fe9 h GLN 109 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 3fe9 h GLN 109 CO 0.03 0.61 -0.67 1.49 0.00 0.00 0.00 178.83 180.30 3fe9 h GLU 110 N 0.89 0.22 0.00 1.69 4.81 -0.36 -2.35 114.58 119.49 3fe9 h GLU 110 Ca 0.24 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 3fe9 h GLU 110 Cb -0.05 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3fe9 h GLU 110 CO -0.05 0.81 -0.97 0.77 -0.73 0.00 0.00 179.01 178.85 3fe9 h SER 111 N 0.16 0.00 -1.21 1.04 0.02 -0.86 -3.40 113.55 109.29 3fe9 h SER 111 Ca -0.01 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.54 3fe9 h SER 111 Cb 1.20 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.44 3fe9 h SER 111 CO 0.10 0.59 -0.89 0.00 -1.14 0.00 0.00 176.83 175.49 3fe9 n ALA 112 N -2.32 0.91 0.23 3.77 0.00 -0.23 -5.00 120.51 117.88 3fe9 n ALA 112 Ca -0.04 -2.63 0.06 0.00 0.00 0.00 0.00 53.44 50.84 3fe9 n ALA 112 Cb 0.81 -1.02 0.54 0.00 0.00 0.00 0.00 19.45 19.77 3fe9 n ALA 112 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fe9 h PRO 113 N 3.25 0.00 0.00 0.00 0.13 -1.64 -2.64 132.00 131.10 3fe9 h PRO 113 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3fe9 h PRO 113 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3fe9 h PRO 113 CO 0.37 0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 177.90 3fe9 n ASP 114 N -4.27 0.54 -0.00 1.44 5.75 -1.26 -3.14 116.55 115.60 3fe9 n ASP 114 Ca -0.02 0.57 0.02 0.00 -0.01 0.00 0.00 54.79 55.35 3fe9 n ASP 114 Cb 0.23 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 3fe9 n ASP 114 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3fe9 n VAL 115 N -2.03 0.00 -1.69 2.12 0.24 -1.02 -5.04 118.33 110.91 3fe9 n VAL 115 Ca 0.05 -0.39 -0.44 0.00 -2.04 0.00 0.00 64.34 61.53 3fe9 n VAL 115 Cb 0.34 0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 3fe9 n VAL 115 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 3fe9 n TRP 116 N -1.12 2.30 -3.50 6.34 -0.00 -1.05 -5.02 117.44 115.38 3fe9 n TRP 116 Ca 0.01 0.45 -0.16 0.00 -0.00 0.00 0.00 57.50 57.80 3fe9 n TRP 116 Cb 0.07 -2.46 -0.05 0.00 -0.00 0.00 0.00 31.31 28.87 3fe9 n TRP 116 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 177.69 177.10 3fe9 s PHE 117 N -0.42 -0.60 -0.02 5.87 -0.71 -1.26 -5.01 117.98 115.84 3fe9 s PHE 117 Ca 0.63 0.89 0.02 0.00 -1.04 0.00 0.00 56.93 57.43 3fe9 s PHE 117 Cb -0.60 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 3fe9 s PHE 117 CO 0.54 -0.64 -0.07 0.08 -1.34 0.00 0.00 175.22 173.80 3fe9 s VAL 118 N -1.80 0.59 -1.22 -2.49 1.01 -1.26 -5.01 120.40 110.22 3fe9 s VAL 118 Ca -0.07 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.75 3fe9 s VAL 118 Cb -0.00 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.92 3fe9 s VAL 118 CO 0.04 0.19 0.81 0.00 0.00 0.00 0.00 175.10 176.14