#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d74 s PRO 2 N 0.00 1.79 0.12 0.00 0.02 -1.26 -4.89 135.00 130.78 3d74 s PRO 2 Ca 0.00 1.79 0.24 0.00 0.02 0.00 0.00 61.00 63.04 3d74 s PRO 2 Cb 0.00 -1.79 0.92 0.00 0.02 0.00 0.00 34.50 33.65 3d74 s PRO 2 CO 0.00 -2.11 1.73 -0.25 -0.33 0.00 0.00 177.00 176.04 3d74 n ASP 3 N -3.09 0.39 0.20 2.53 8.00 -1.26 -3.03 116.55 120.29 3d74 n ASP 3 Ca 0.14 0.56 0.13 0.00 0.71 0.00 0.00 54.79 56.33 3d74 n ASP 3 Cb 0.50 -0.66 0.27 0.00 -0.02 0.00 0.00 41.12 41.21 3d74 n ASP 3 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 3d74 h TRP 4 N 0.00 0.00 -2.55 1.24 5.08 -1.97 -3.46 115.95 114.29 3d74 h TRP 4 Ca 0.00 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.43 3d74 h TRP 4 Cb 0.47 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.65 3d74 h TRP 4 CO 0.00 0.00 1.11 0.08 -1.28 0.00 0.00 178.44 178.35 3d74 s VAL 5 N -3.23 3.19 0.16 0.12 1.01 -1.17 -4.89 120.40 115.60 3d74 s VAL 5 Ca 0.07 0.39 -0.34 0.00 0.00 0.00 0.00 61.98 62.10 3d74 s VAL 5 Cb 0.07 -3.25 -0.14 0.00 0.00 0.00 0.00 36.38 33.06 3d74 s VAL 5 CO 0.64 -0.02 1.51 -2.65 0.00 0.00 0.00 175.10 174.57 3d74 n PRO 6 N 6.78 1.95 -0.33 2.72 -0.02 -1.26 -4.87 135.00 139.97 3d74 n PRO 6 Ca 0.18 0.70 0.16 0.00 -2.02 0.00 0.00 63.50 62.52 3d74 n PRO 6 Cb 0.41 -2.43 0.31 0.00 -0.02 0.00 0.00 33.50 31.77 3d74 n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3d74 n PRO 7 N 3.06 -0.08 -0.28 0.52 -0.02 -1.26 -1.33 135.00 135.62 3d74 n PRO 7 Ca 0.16 1.44 0.11 0.00 -2.02 0.00 0.00 63.50 63.20 3d74 n PRO 7 Cb 0.27 -2.32 0.36 0.00 -0.02 0.00 0.00 33.50 31.79 3d74 n PRO 7 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3d74 h GLU 8 N 0.00 0.71 -0.36 -0.52 4.81 -2.01 -1.38 114.58 115.83 3d74 h GLU 8 Ca 0.61 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.84 3d74 h GLU 8 Cb 1.30 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3d74 h GLU 8 CO -0.90 0.47 0.24 0.28 -0.73 0.00 0.00 179.01 178.37 3d74 h VAL 9 N 0.73 0.99 -0.33 0.32 2.07 -1.57 0.18 116.25 118.64 3d74 h VAL 9 Ca 0.45 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.80 3d74 h VAL 9 Cb 0.67 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3d74 h VAL 9 CO -0.21 0.06 -0.04 -0.26 0.02 0.00 0.00 177.57 177.14 3d74 h PHE 10 N 0.32 0.55 0.12 1.57 -1.00 -1.36 -1.74 116.94 115.40 3d74 h PHE 10 Ca 0.15 -0.06 -0.25 0.00 2.81 0.00 0.00 57.97 60.62 3d74 h PHE 10 Cb 0.21 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3d74 h PHE 10 CO -0.00 0.57 -1.25 -0.44 -1.61 0.00 0.00 178.31 175.58 3d74 h ASP 11 N 0.50 0.40 -0.87 2.17 3.32 -1.40 -3.23 116.42 117.32 3d74 h ASP 11 Ca 0.10 -0.87 0.19 0.00 0.02 0.00 0.00 57.03 56.47 3d74 h ASP 11 Cb 0.38 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 39.69 3d74 h ASP 11 CO 0.02 1.56 0.38 -0.07 -1.72 0.00 0.00 179.24 179.40 3d74 h LEU 12 N -0.34 0.35 -0.25 1.55 3.38 -0.55 -2.26 115.31 117.20 3d74 h LEU 12 Ca -0.26 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3d74 h LEU 12 Cb 1.72 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.58 3d74 h LEU 12 CO 0.08 0.05 -0.36 1.33 0.09 0.00 0.00 178.44 179.63 3d74 n VAL 13 N -5.01 0.00 -0.23 1.22 0.24 -0.67 -4.51 118.33 109.38 3d74 n VAL 13 Ca 0.20 -0.06 0.05 0.00 -2.04 0.00 0.00 64.34 62.48 3d74 n VAL 13 Cb 0.57 0.30 0.30 0.00 -1.47 0.00 0.00 33.84 33.55 3d74 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d74 h ALA 14 N 3.35 1.61 -0.33 2.33 0.00 -1.41 0.94 119.26 125.75 3d74 h ALA 14 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3d74 h ALA 14 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3d74 h ALA 14 CO 0.00 0.27 0.04 1.49 0.00 0.00 0.00 179.25 181.05 3d74 h GLU 15 N 0.88 0.55 0.03 0.00 4.81 -1.79 -2.97 114.58 116.09 3d74 h GLU 15 Ca 0.34 -0.15 -0.24 0.00 -0.13 0.00 0.00 59.36 59.18 3d74 h GLU 15 Cb 0.20 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3d74 h GLU 15 CO -0.12 0.65 -1.16 -0.44 -0.73 0.00 0.00 179.01 177.21 3d74 h ASP 16 N 0.37 0.11 -0.13 1.04 3.32 -1.56 -3.09 116.42 116.48 3d74 h ASP 16 Ca 0.10 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.07 3d74 h ASP 16 Cb 0.37 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3d74 h ASP 16 CO 0.01 1.10 -0.28 0.50 -1.72 0.00 0.00 179.24 178.85 3d74 h LYS 17 N 0.02 -0.34 -0.12 3.56 3.64 -0.89 0.00 116.57 122.44 3d74 h LYS 17 Ca -0.08 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3d74 h LYS 17 Cb 1.85 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.74 3d74 h LYS 17 CO 0.14 -0.23 0.03 0.00 -2.27 0.00 0.00 179.45 177.12 3d74 h ALA 18 N 0.53 0.12 -0.13 5.00 0.00 -1.53 0.99 119.26 124.24 3d74 h ALA 18 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3d74 h ALA 18 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3d74 h ALA 18 CO -0.34 -0.42 -0.01 -0.09 0.00 0.00 0.00 179.25 178.40 3d74 h ARG 19 N 0.08 0.04 -0.25 0.00 2.43 -1.49 -0.21 114.38 114.99 3d74 h ARG 19 Ca 0.05 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3d74 h ARG 19 Cb 0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3d74 h ARG 19 CO -0.06 0.02 0.08 0.00 -1.51 0.00 0.00 179.97 178.50 3d74 h MET 21 N 0.24 0.57 -0.54 0.00 2.86 -0.68 -1.69 114.93 115.68 3d74 h MET 21 Ca 0.08 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3d74 h MET 21 Cb 0.22 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3d74 h MET 21 CO -0.00 0.38 -0.04 0.77 1.06 0.00 0.00 176.91 179.07 3d74 h SER 22 N 0.58 0.95 0.43 1.22 0.02 -0.76 0.38 113.55 116.37 3d74 h SER 22 Ca 0.29 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 3d74 h SER 22 Cb 0.23 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3d74 h SER 22 CO -0.21 1.03 -0.43 -0.33 -1.14 0.00 0.00 176.83 175.75 3d74 h GLU 23 N 0.88 0.00 -0.01 3.45 5.08 -0.56 -3.27 114.58 120.15 3d74 h GLU 23 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3d74 h GLU 23 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3d74 h GLU 23 CO 0.03 0.43 -0.01 0.72 -1.00 0.00 0.00 179.01 179.19 3d74 n HIS 24 N -4.03 0.00 -2.83 4.33 8.25 -0.66 -4.99 115.22 115.29 3d74 n HIS 24 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.26 3d74 n HIS 24 Cb 0.46 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.59 3d74 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d74 n GLY 25 N 0.33 -0.28 3.78 -1.41 0.00 0.12 -4.35 105.19 103.38 3d74 n GLY 25 Ca 0.03 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3d74 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d74 s THR 26 N -3.04 4.05 0.19 2.61 2.01 -0.67 -4.95 115.64 115.84 3d74 s THR 26 Ca 0.23 1.66 0.05 0.00 0.31 0.00 0.00 61.69 63.94 3d74 s THR 26 Cb -0.10 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3d74 s THR 26 CO 0.28 0.10 0.15 0.42 -0.69 0.00 0.00 174.62 174.88 3d74 s THR 27 N -1.63 4.49 0.43 -0.82 -4.23 -1.26 -4.83 115.64 107.80 3d74 s THR 27 Ca 0.52 -1.16 0.10 0.00 -1.18 0.00 0.00 61.69 59.97 3d74 s THR 27 Cb -0.20 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.57 3d74 s THR 27 CO 0.25 -0.17 2.06 -0.61 -0.54 0.00 0.00 174.62 175.61 3d74 h GLN 28 N 2.17 0.36 -0.08 3.99 5.75 -2.00 -2.90 115.11 122.41 3d74 h GLN 28 Ca -0.48 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 3d74 h GLN 28 Cb 1.21 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 3d74 h GLN 28 CO 0.63 0.27 0.04 0.00 -2.65 0.00 0.00 178.83 177.12 3d74 h ALA 29 N 1.79 0.10 -0.89 3.38 0.00 -1.99 -0.24 119.26 121.41 3d74 h ALA 29 Ca 0.10 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.13 3d74 h ALA 29 Cb 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 3d74 h ALA 29 CO -0.02 -0.37 0.58 1.96 0.00 0.00 0.00 179.25 181.40 3d74 h GLN 30 N 0.04 0.55 -0.14 0.00 4.20 -1.93 0.11 115.11 117.94 3d74 h GLN 30 Ca 0.03 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3d74 h GLN 30 Cb 0.07 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3d74 h GLN 30 CO -0.00 0.36 -0.34 0.82 -0.67 0.00 0.00 178.83 179.00 3d74 h ILE 31 N 0.57 1.36 -0.32 2.54 2.04 -1.24 -3.16 117.51 119.30 3d74 h ILE 31 Ca 0.46 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 3d74 h ILE 31 Cb 0.91 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 3d74 h ILE 31 CO -0.20 0.49 0.04 0.44 0.00 0.00 0.00 178.15 178.92 3d74 h ASP 32 N 0.10 0.43 -0.01 1.72 3.32 0.01 -2.55 116.42 119.44 3d74 h ASP 32 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3d74 h ASP 32 Cb 0.95 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 3d74 h ASP 32 CO 0.07 0.47 0.01 0.44 -1.72 0.00 0.00 179.24 178.51 3d74 h ASP 33 N 0.46 0.00 -0.46 6.45 3.32 -0.80 -3.26 116.42 122.13 3d74 h ASP 33 Ca 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3d74 h ASP 33 Cb 0.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3d74 h ASP 33 CO 0.00 0.00 0.16 0.58 -1.72 0.00 0.00 179.24 178.26 3d74 h VAL 34 N 0.00 1.22 -0.46 -1.35 2.07 -1.49 -1.56 116.25 114.69 3d74 h VAL 34 Ca 0.01 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3d74 h VAL 34 Cb 0.02 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3d74 h VAL 34 CO -0.00 0.26 0.18 0.00 0.02 0.00 0.00 177.57 178.03 3d74 h ALA 35 N 1.01 1.46 0.00 1.67 0.00 -1.73 -1.06 119.26 120.60 3d74 h ALA 35 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d74 h ALA 35 Cb 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3d74 h ALA 35 CO -0.01 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.29 3d74 n LYS 36 N -4.36 0.43 -1.03 0.00 5.02 -0.79 -4.84 118.16 112.59 3d74 n LYS 36 Ca 0.03 0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.34 3d74 n LYS 36 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 3d74 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d74 n GLY 37 N -0.05 0.50 3.20 0.72 0.00 -0.40 -5.00 105.19 104.16 3d74 n GLY 37 Ca 0.11 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3d74 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d74 s ASN 38 N -2.51 5.87 -0.13 1.61 0.02 -0.66 -5.02 114.94 114.12 3d74 s ASN 38 Ca 0.00 -2.69 0.00 0.00 -1.02 0.00 0.00 52.86 49.15 3d74 s ASN 38 Cb 0.00 -2.01 -0.02 0.00 0.02 0.00 0.00 41.25 39.25 3d74 s ASN 38 CO 0.00 -0.48 -0.13 -0.22 0.02 0.00 0.00 177.10 176.29 3d74 s LEU 39 N 0.17 2.73 0.09 0.60 2.96 -1.26 -3.50 118.68 120.47 3d74 s LEU 39 Ca 0.16 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 3d74 s LEU 39 Cb -0.17 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3d74 s LEU 39 CO -0.05 0.18 -0.13 0.68 -1.32 0.00 0.00 176.35 175.70 3d74 s VAL 40 N 0.28 3.16 -1.24 1.68 -7.23 -1.26 -5.04 120.40 110.75 3d74 s VAL 40 Ca -0.09 -1.27 -0.20 0.00 -1.81 0.00 0.00 61.98 58.60 3d74 s VAL 40 Cb -0.16 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 3d74 s VAL 40 CO 0.05 0.17 1.82 0.21 -0.31 0.00 0.00 175.10 177.04 3d74 s ASN 41 N -1.99 6.02 -0.06 4.85 3.84 -1.26 -4.68 114.94 121.66 3d74 s ASN 41 Ca 0.19 -2.06 -0.00 0.00 0.21 0.00 0.00 52.86 51.20 3d74 s ASN 41 Cb -0.11 -2.58 0.03 0.00 -0.55 0.00 0.00 41.25 38.03 3d74 s ASN 41 CO 0.11 -2.03 -0.02 -1.61 -2.79 0.00 0.00 177.10 170.76 3d74 s GLU 42 N 5.26 0.69 0.43 0.43 2.02 -1.26 -5.04 118.70 121.22 3d74 s GLU 42 Ca 0.60 0.03 0.22 0.00 0.02 0.00 0.00 54.97 55.84 3d74 s GLU 42 Cb 0.02 -0.92 1.19 0.00 0.10 0.00 0.00 34.13 34.52 3d74 s GLU 42 CO 0.10 -0.22 1.78 -1.35 0.02 0.00 0.00 175.26 175.59 3d74 h PRO 43 N 7.90 0.31 -0.70 0.39 0.11 -1.96 0.18 132.00 138.22 3d74 h PRO 43 Ca -0.27 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.95 3d74 h PRO 43 Cb 1.13 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3d74 h PRO 43 CO 0.35 0.20 0.47 0.66 -0.21 0.00 0.00 178.00 179.47 3d74 h SER 44 N 0.32 0.38 0.00 -2.05 4.64 -1.93 0.73 113.55 115.64 3d74 h SER 44 Ca 0.58 0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 61.54 3d74 h SER 44 Cb 1.61 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.58 3d74 h SER 44 CO -0.24 0.21 -2.38 0.00 -0.87 0.00 0.00 176.83 173.55 3d74 n ILE 45 N -4.47 1.38 -0.14 0.95 0.13 0.39 -3.99 119.36 113.61 3d74 n ILE 45 Ca 0.13 -0.50 -0.09 0.00 -1.10 0.00 0.00 62.75 61.19 3d74 n ILE 45 Cb 0.47 -1.44 0.06 0.00 -0.84 0.00 0.00 39.64 37.89 3d74 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d74 h THR 46 N -0.16 1.27 0.00 9.51 1.35 -0.84 -2.05 112.91 121.98 3d74 h THR 46 Ca -0.56 -1.26 -0.02 0.00 -0.55 0.00 0.00 66.41 64.03 3d74 h THR 46 Cb 1.79 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3d74 h THR 46 CO -0.14 0.44 -0.07 0.00 -0.25 0.00 0.00 175.52 175.50 3d74 h TYR 48 N 0.00 0.91 -0.30 0.00 3.20 -1.52 0.80 116.97 120.06 3d74 h TYR 48 Ca -0.00 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 3d74 h TYR 48 Cb 0.87 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3d74 h TYR 48 CO 0.00 1.00 0.14 0.52 -1.64 0.00 0.00 178.16 178.18 3d74 h MET 49 N 0.56 0.44 -0.35 1.82 2.86 -1.21 -0.61 114.93 118.43 3d74 h MET 49 Ca 0.07 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3d74 h MET 49 Cb 0.79 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.32 3d74 h MET 49 CO 0.06 0.42 -0.02 -0.92 1.06 0.00 0.00 176.91 177.51 3d74 h TYR 50 N 0.35 -0.06 -0.80 -0.22 3.20 -1.29 -0.89 116.97 117.25 3d74 h TYR 50 Ca 0.10 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3d74 h TYR 50 Cb 0.13 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3d74 h TYR 50 CO -0.02 -0.09 0.49 0.00 -1.64 0.00 0.00 178.16 176.91 3d74 h LEU 52 N 0.92 0.69 -0.15 0.00 5.85 -0.61 -1.16 115.31 120.86 3d74 h LEU 52 Ca 0.34 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.52 3d74 h LEU 52 Cb 0.12 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3d74 h LEU 52 CO -0.15 1.15 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.91 3d74 h LEU 53 N 0.27 -0.37 -1.05 2.25 3.38 -0.84 -2.49 115.31 116.46 3d74 h LEU 53 Ca -0.01 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3d74 h LEU 53 Cb 1.07 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 3d74 h LEU 53 CO 0.10 -0.15 0.63 -0.08 0.09 0.00 0.00 178.44 179.02 3d74 h GLU 54 N -0.12 1.26 -0.03 1.13 4.22 -0.97 -0.30 114.58 119.77 3d74 h GLU 54 Ca 0.10 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.47 3d74 h GLU 54 Cb 0.26 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3d74 h GLU 54 CO -0.23 0.84 0.03 0.00 -2.18 0.00 0.00 179.01 177.47 3d74 h ALA 55 N 1.40 1.82 -0.34 2.92 0.00 -0.75 -0.74 119.26 123.57 3d74 h ALA 55 Ca 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3d74 h ALA 55 Cb -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3d74 h ALA 55 CO -0.07 -0.05 0.02 1.19 0.00 0.00 0.00 179.25 180.34 3d74 n PHE 56 N -4.20 1.18 -2.51 0.00 3.72 -0.78 -4.95 117.46 109.90 3d74 n PHE 56 Ca -0.02 -1.01 -0.17 0.00 -0.05 0.00 0.00 57.45 56.19 3d74 n PHE 56 Cb 0.12 -0.39 -0.00 0.00 -0.94 0.00 0.00 39.48 38.27 3d74 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3d74 n SER 57 N -0.52 -4.91 0.15 4.37 7.64 -0.28 -4.84 113.62 115.22 3d74 n SER 57 Ca 0.25 0.04 0.08 0.00 1.01 0.00 0.00 58.87 60.25 3d74 n SER 57 Cb 0.98 -4.11 0.06 0.00 -1.01 0.00 0.00 64.21 60.14 3d74 n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3d74 h LEU 58 N -0.15 0.00 -8.39 -3.43 3.38 -1.29 -3.44 115.31 101.99 3d74 h LEU 58 Ca -0.40 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.26 3d74 h LEU 58 Cb 1.29 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.86 3d74 h LEU 58 CO 0.47 0.21 -0.73 0.68 0.09 0.00 0.00 178.44 179.16 3d74 s VAL 59 N -3.14 0.84 0.03 1.22 -7.23 -1.24 0.13 120.40 111.02 3d74 s VAL 59 Ca 0.03 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3d74 s VAL 59 Cb 0.07 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.79 3d74 s VAL 59 CO 0.73 -0.53 0.04 -0.90 -0.31 0.00 0.00 175.10 174.13 3d74 n ASP 60 N 0.73 0.04 0.16 4.85 5.75 -1.04 -4.47 116.55 122.56 3d74 n ASP 60 Ca -0.17 -1.04 0.13 0.00 -0.01 0.00 0.00 54.79 53.70 3d74 n ASP 60 Cb 0.57 -0.03 0.56 0.00 -1.03 0.00 0.00 41.12 41.19 3d74 n ASP 60 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3d74 h ASP 61 N -0.03 0.00 -0.50 -1.12 3.32 -2.00 -2.33 116.42 113.76 3d74 h ASP 61 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3d74 h ASP 61 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3d74 h ASP 61 CO 0.01 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.91 3d74 n GLU 62 N -2.35 3.46 -2.20 3.56 1.02 -1.26 -4.97 120.64 117.89 3d74 n GLU 62 Ca 0.01 -2.73 -0.16 0.00 -0.02 0.00 0.00 57.16 54.26 3d74 n GLU 62 Cb 0.19 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 3d74 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d74 n ALA 63 N 0.60 -0.60 -2.58 0.62 0.00 -0.88 -4.86 120.51 112.81 3d74 n ALA 63 Ca 0.22 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 3d74 n ALA 63 Cb 0.82 -1.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 3d74 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d74 s ASN 64 N -2.11 7.08 0.18 0.00 0.01 -1.26 -4.77 114.94 114.08 3d74 s ASN 64 Ca 0.00 1.53 -0.30 0.00 -0.71 0.00 0.00 52.86 53.38 3d74 s ASN 64 Cb 0.00 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 3d74 s ASN 64 CO 0.00 -0.64 1.16 -0.69 -1.51 0.00 0.00 177.10 175.42 3d74 s VAL 65 N 2.94 3.69 -0.50 1.60 1.01 -1.26 -2.49 120.40 125.39 3d74 s VAL 65 Ca 0.49 1.44 -0.24 0.00 0.00 0.00 0.00 61.98 63.66 3d74 s VAL 65 Cb -0.18 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3d74 s VAL 65 CO 0.12 0.24 0.90 -0.62 0.00 0.00 0.00 175.10 175.74 3d74 s ASP 66 N 0.03 6.40 0.12 3.32 -1.08 0.12 -4.94 116.67 120.64 3d74 s ASP 66 Ca 0.51 -0.17 -0.16 0.00 -0.52 0.00 0.00 52.55 52.21 3d74 s ASP 66 Cb -0.31 -2.43 -0.03 0.00 -1.46 0.00 0.00 42.92 38.69 3d74 s ASP 66 CO 0.36 -1.10 1.62 -0.33 0.52 0.00 0.00 175.17 176.24 3d74 h GLU 67 N 9.17 0.58 -0.72 4.34 5.08 -1.94 -1.55 114.58 129.53 3d74 h GLU 67 Ca -0.25 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3d74 h GLU 67 Cb 1.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3d74 h GLU 67 CO 1.04 0.61 0.39 -0.44 -1.00 0.00 0.00 179.01 179.62 3d74 h ASP 68 N 0.44 0.88 -0.26 1.42 3.32 -1.98 -0.22 116.42 120.02 3d74 h ASP 68 Ca 0.11 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 3d74 h ASP 68 Cb 0.29 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3d74 h ASP 68 CO 0.00 0.71 -0.49 0.40 -1.72 0.00 0.00 179.24 178.14 3d74 h ILE 69 N 1.00 1.28 0.72 0.35 2.04 -1.86 -1.29 117.51 119.75 3d74 h ILE 69 Ca 0.25 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 3d74 h ILE 69 Cb 0.02 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3d74 h ILE 69 CO -0.04 0.55 -0.45 -0.03 0.00 0.00 0.00 178.15 178.17 3d74 h MET 70 N 0.66 -1.07 -1.00 2.37 4.05 -0.87 -1.81 114.93 117.26 3d74 h MET 70 Ca 0.03 0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.63 3d74 h MET 70 Cb 1.08 0.24 -0.08 0.00 -0.80 0.00 0.00 31.60 32.05 3d74 h MET 70 CO 0.11 -0.71 0.64 -0.07 0.23 0.00 0.00 176.91 177.10 3d74 h LEU 71 N -1.11 0.95 -0.41 3.39 3.38 -1.09 -2.03 115.31 118.39 3d74 h LEU 71 Ca -0.09 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3d74 h LEU 71 Cb 0.90 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3d74 h LEU 71 CO 0.09 0.53 0.11 1.23 0.09 0.00 0.00 178.44 180.49 3d74 h GLY 72 N 1.03 0.50 1.54 0.83 0.00 -0.95 -1.59 103.07 104.44 3d74 h GLY 72 Ca 0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 3d74 h GLY 72 CO -0.24 -0.01 0.06 -2.00 0.00 0.00 0.00 176.54 174.35 3d74 h LEU 73 N 0.25 0.54 -9.96 3.11 6.46 -0.66 -3.45 115.31 111.60 3d74 h LEU 73 Ca 0.19 -0.09 -0.51 0.00 -0.12 0.00 0.00 57.88 57.36 3d74 h LEU 73 Cb 0.21 -0.14 0.06 0.00 -0.73 0.00 0.00 40.66 40.06 3d74 h LEU 73 CO -0.23 0.57 0.50 -0.76 -0.62 0.00 0.00 178.44 177.91 3d74 s LEU 74 N -9.16 4.15 0.89 2.25 1.43 -0.60 -5.02 118.68 112.62 3d74 s LEU 74 Ca -0.08 2.35 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3d74 s LEU 74 Cb 0.16 -4.08 0.13 0.00 0.03 0.00 0.00 46.19 42.43 3d74 s LEU 74 CO 0.77 -0.75 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 3d74 s PRO 75 N -2.40 1.29 0.12 1.29 0.04 -1.26 -4.86 135.00 129.21 3d74 s PRO 75 Ca 0.59 0.85 -0.21 0.00 0.04 0.00 0.00 61.00 62.26 3d74 s PRO 75 Cb -0.30 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3d74 s PRO 75 CO 0.38 -2.23 1.72 -0.44 0.04 0.00 0.00 177.00 176.47 3d74 h ASP 76 N -1.54 -0.13 -1.21 6.66 3.32 -1.95 -2.10 116.42 119.48 3d74 h ASP 76 Ca -0.49 0.04 0.39 0.00 0.02 0.00 0.00 57.03 56.99 3d74 h ASP 76 Cb 1.28 0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.79 3d74 h ASP 76 CO 0.54 -0.05 0.76 -0.61 -1.72 0.00 0.00 179.24 178.17 3d74 h GLN 77 N 0.00 0.17 0.00 3.56 4.15 -2.00 -2.35 115.11 118.63 3d74 h GLN 77 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3d74 h GLN 77 Cb 0.10 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3d74 h GLN 77 CO -0.14 0.11 -0.92 1.28 -1.93 0.00 0.00 178.83 177.22 3d74 n LEU 78 N -4.76 0.78 -0.23 -2.39 7.99 -0.81 -4.56 117.00 113.02 3d74 n LEU 78 Ca 0.34 -0.29 0.03 0.00 -0.01 0.00 0.00 56.01 56.08 3d74 n LEU 78 Cb 1.26 -0.08 0.13 0.00 -0.11 0.00 0.00 43.42 44.62 3d74 n LEU 78 CO 0.19 0.18 0.83 1.56 -1.51 0.00 0.00 177.39 178.64 3d74 h GLN 79 N 0.00 0.11 -0.06 3.23 1.08 -1.17 0.19 115.11 118.49 3d74 h GLN 79 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3d74 h GLN 79 Cb 0.55 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3d74 h GLN 79 CO 0.00 0.07 0.00 1.49 -0.95 0.00 0.00 178.83 179.45 3d74 h GLU 80 N 0.12 0.11 -0.11 1.46 4.81 -1.80 -1.46 114.58 117.70 3d74 h GLU 80 Ca 0.36 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3d74 h GLU 80 Cb 0.61 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3d74 h GLU 80 CO -0.59 0.38 0.03 0.00 -0.73 0.00 0.00 179.01 178.10 3d74 h ARG 81 N -0.17 0.18 -0.74 1.92 3.08 -1.74 -2.85 114.38 114.05 3d74 h ARG 81 Ca 0.02 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3d74 h ARG 81 Cb 0.33 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 3d74 h ARG 81 CO 0.00 0.34 0.45 0.00 -1.07 0.00 0.00 179.97 179.69 3d74 h ALA 82 N 0.83 0.99 -0.49 0.04 0.00 -0.65 -2.50 119.26 117.49 3d74 h ALA 82 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d74 h ALA 82 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3d74 h ALA 82 CO -0.00 0.19 0.31 0.37 0.00 0.00 0.00 179.25 180.11 3d74 h GLN 83 N 0.85 0.65 0.29 0.00 4.15 -1.18 0.07 115.11 119.94 3d74 h GLN 83 Ca 0.32 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 3d74 h GLN 83 Cb 0.11 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3d74 h GLN 83 CO -0.15 0.46 -0.16 1.03 -1.93 0.00 0.00 178.83 178.08 3d74 h SER 84 N 0.65 -0.40 0.14 -0.69 0.87 -1.25 -0.06 113.55 112.82 3d74 h SER 84 Ca 0.18 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 3d74 h SER 84 Cb -0.04 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3d74 h SER 84 CO -0.04 -0.27 -0.26 1.62 -0.53 0.00 0.00 176.83 177.35 3d74 h VAL 85 N -0.42 1.24 -0.17 2.23 3.04 -1.34 -2.13 116.25 118.69 3d74 h VAL 85 Ca -0.03 -1.12 -0.13 0.00 -1.01 0.00 0.00 66.70 64.41 3d74 h VAL 85 Cb 0.34 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 3d74 h VAL 85 CO 0.04 0.34 -0.46 0.24 -1.01 0.00 0.00 177.57 176.72 3d74 h MET 86 N 0.19 0.42 -0.83 4.17 2.07 -0.66 -1.48 114.93 118.80 3d74 h MET 86 Ca 0.03 -0.23 0.07 0.00 -2.07 0.00 0.00 59.70 57.50 3d74 h MET 86 Cb 0.57 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.25 3d74 h MET 86 CO 0.04 0.80 0.51 0.78 1.07 0.00 0.00 176.91 180.10 3d74 h GLY 87 N 1.17 1.26 1.83 8.32 0.00 -0.35 -0.68 103.07 114.62 3d74 h GLY 87 Ca 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3d74 h GLY 87 CO 0.08 0.23 -0.66 0.07 0.00 0.00 0.00 176.54 176.26 3d74 h LYS 88 N 0.91 0.00 0.00 4.80 2.10 -1.14 -3.36 116.57 119.88 3d74 h LYS 88 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3d74 h LYS 88 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3d74 h LYS 88 CO -0.18 0.47 -0.92 0.00 -2.00 0.00 0.00 179.45 176.82 3d74 s LEU 90 N -2.97 3.08 0.69 0.00 1.43 -0.29 -4.37 118.68 116.27 3d74 s LEU 90 Ca 0.05 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 3d74 s LEU 90 Cb 0.13 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.53 3d74 s LEU 90 CO 0.70 0.23 1.06 -2.16 0.23 0.00 0.00 176.35 176.41 3d74 s PRO 91 N -1.78 2.91 0.52 1.29 0.04 -1.26 -4.85 135.00 131.87 3d74 s PRO 91 Ca 0.19 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 62.01 3d74 s PRO 91 Cb -0.11 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3d74 s PRO 91 CO 0.10 -1.12 1.22 0.95 0.04 0.00 0.00 177.00 178.19 3d74 s THR 92 N -2.98 2.75 -0.01 1.26 -4.23 -1.26 -5.05 115.64 106.12 3d74 s THR 92 Ca 0.59 0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 61.56 3d74 s THR 92 Cb -0.14 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.45 3d74 s THR 92 CO 0.54 -0.04 0.16 -0.94 -0.54 0.00 0.00 174.62 173.79 3d74 s SER 93 N -1.35 -0.03 0.00 3.99 1.04 -1.26 -4.99 113.70 111.10 3d74 s SER 93 Ca 0.69 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3d74 s SER 93 Cb -0.31 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3d74 s SER 93 CO 0.37 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.89 3d74 n GLY 94 N 1.78 -0.62 0.07 7.32 0.00 -1.26 -4.38 105.19 108.10 3d74 n GLY 94 Ca -0.20 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 3d74 n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d74 h SER 95 N 0.00 -0.02 -2.97 1.61 4.64 -1.99 -3.46 113.55 111.36 3d74 h SER 95 Ca 0.00 -0.66 -0.55 0.00 -0.47 0.00 0.00 61.79 60.11 3d74 h SER 95 Cb 0.00 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 3d74 h SER 95 CO 0.00 0.78 -0.53 1.51 -0.87 0.00 0.00 176.83 177.72 3d74 s ASP 96 N -5.94 2.81 0.29 4.97 1.47 -1.26 -5.01 116.67 114.00 3d74 s ASP 96 Ca -0.13 -1.63 -0.01 0.00 1.18 0.00 0.00 52.55 51.96 3d74 s ASP 96 Cb -0.02 0.43 0.48 0.00 -0.34 0.00 0.00 42.92 43.47 3d74 s ASP 96 CO 0.49 -0.88 1.91 0.78 0.68 0.00 0.00 175.17 178.15 3d74 h ASN 97 N 1.81 0.96 -0.21 2.11 4.21 -1.92 0.11 115.58 122.64 3d74 h ASN 97 Ca -0.37 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.01 3d74 h ASN 97 Cb 1.27 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3d74 h ASN 97 CO 0.60 0.63 -0.40 0.00 -1.29 0.00 0.00 177.43 176.96 3d74 h ASN 99 N 0.35 0.91 -0.61 0.00 4.21 -1.82 -1.55 115.58 117.07 3d74 h ASN 99 Ca 0.01 -0.05 0.05 0.00 1.21 0.00 0.00 56.30 57.53 3d74 h ASN 99 Cb 1.00 -0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.92 3d74 h ASN 99 CO 0.09 0.69 0.32 0.11 -1.29 0.00 0.00 177.43 177.36 3d74 h LYS 100 N 1.05 0.59 -0.08 0.81 1.57 -0.78 0.10 116.57 119.83 3d74 h LYS 100 Ca 0.28 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 3d74 h LYS 100 Cb -0.06 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3d74 h LYS 100 CO -0.05 0.39 -0.75 0.82 -0.57 0.00 0.00 179.45 179.29 3d74 h ILE 101 N 0.61 1.37 -0.55 1.86 1.08 -1.13 -1.23 117.51 119.53 3d74 h ILE 101 Ca 0.27 -2.14 0.01 0.00 -0.39 0.00 0.00 64.86 62.61 3d74 h ILE 101 Cb 0.17 2.12 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 3d74 h ILE 101 CO -0.18 0.65 0.35 0.22 -0.69 0.00 0.00 178.15 178.50 3d74 h TYR 102 N 0.30 0.67 -0.55 1.37 3.20 -1.08 0.90 116.97 121.77 3d74 h TYR 102 Ca -0.04 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 3d74 h TYR 102 Cb 1.33 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 3d74 h TYR 102 CO 0.05 0.41 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.00 3d74 h ASN 103 N 0.71 1.00 0.24 -2.11 -0.26 -0.47 0.22 115.58 114.91 3d74 h ASN 103 Ca 0.21 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 3d74 h ASN 103 Cb -0.05 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 36.94 3d74 h ASN 103 CO -0.06 1.09 -0.12 0.25 -1.06 0.00 0.00 177.43 177.54 3d74 h LEU 104 N 0.91 -0.28 -0.77 1.61 5.85 -1.05 -1.40 115.31 120.19 3d74 h LEU 104 Ca 0.15 -0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.91 3d74 h LEU 104 Cb 0.62 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 3d74 h LEU 104 CO 0.04 -0.05 0.29 0.00 -0.34 0.00 0.00 178.44 178.38 3d74 h ALA 105 N 0.21 1.08 -0.61 1.25 0.00 -0.66 0.77 119.26 121.30 3d74 h ALA 105 Ca -0.03 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3d74 h ALA 105 Cb 0.38 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3d74 h ALA 105 CO 0.05 -0.24 0.07 0.87 0.00 0.00 0.00 179.25 180.00 3d74 h LYS 106 N 0.41 1.03 -0.35 0.00 1.79 -0.77 -1.27 116.57 117.41 3d74 h LYS 106 Ca 0.43 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 3d74 h LYS 106 Cb 0.68 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 3d74 h LYS 106 CO -0.43 0.98 0.15 0.00 -1.08 0.00 0.00 179.45 179.07 3d74 h VAL 108 N 0.43 1.18 0.00 0.00 2.07 -0.70 -2.92 116.25 116.30 3d74 h VAL 108 Ca 0.12 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3d74 h VAL 108 Cb 0.17 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3d74 h VAL 108 CO -0.01 0.18 0.00 1.56 0.02 0.00 0.00 177.57 179.32 3d74 h GLN 109 N 0.24 0.00 -0.48 1.57 4.20 -1.08 0.68 115.11 120.24 3d74 h GLN 109 Ca 0.08 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 3d74 h GLN 109 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3d74 h GLN 109 CO -0.01 0.00 -0.10 1.49 -0.67 0.00 0.00 178.83 179.55 3d74 h GLU 110 N 0.00 0.88 0.00 1.46 4.81 -1.24 -3.25 114.58 117.24 3d74 h GLU 110 Ca 0.00 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 3d74 h GLU 110 Cb 0.14 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3d74 h GLU 110 CO 0.00 0.94 -1.39 -1.13 -0.73 0.00 0.00 179.01 176.70 3d74 n SER 111 N -4.16 3.52 -3.19 1.04 3.41 -1.01 -4.89 113.62 108.35 3d74 n SER 111 Ca 0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.41 3d74 n SER 111 Cb 0.37 0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 3d74 n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d74 n ALA 112 N -2.14 2.53 0.18 7.33 0.00 0.20 -4.98 120.51 123.63 3d74 n ALA 112 Ca -0.08 -3.59 0.06 0.00 0.00 0.00 0.00 53.44 49.83 3d74 n ALA 112 Cb 0.61 -0.86 0.55 0.00 0.00 0.00 0.00 19.45 19.74 3d74 n ALA 112 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3d74 h PRO 113 N 3.53 0.15 0.00 0.00 0.13 -1.66 0.48 132.00 134.63 3d74 h PRO 113 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3d74 h PRO 113 Cb 0.87 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3d74 h PRO 113 CO 0.53 0.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 3d74 n ASP 114 N -4.47 0.00 0.07 1.44 5.75 -1.26 -3.36 116.55 114.73 3d74 n ASP 114 Ca -0.01 0.38 -0.21 0.00 -0.01 0.00 0.00 54.79 54.93 3d74 n ASP 114 Cb 0.12 -0.45 -0.13 0.00 -1.03 0.00 0.00 41.12 39.63 3d74 n ASP 114 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3d74 h VAL 115 N 0.00 1.32 -1.21 2.12 2.07 -1.26 -3.40 116.25 115.89 3d74 h VAL 115 Ca 0.00 -2.41 -0.45 0.00 0.82 0.00 0.00 66.70 64.67 3d74 h VAL 115 Cb 0.35 2.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.78 3d74 h VAL 115 CO 0.00 0.72 1.10 0.86 0.02 0.00 0.00 177.57 180.28 3d74 s TRP 116 N -2.97 2.06 0.06 1.57 -0.11 -1.21 -4.97 118.94 113.37 3d74 s TRP 116 Ca -0.10 0.13 0.01 0.00 1.22 0.00 0.00 56.10 57.36 3d74 s TRP 116 Cb 0.05 -4.32 -0.04 0.00 -1.50 0.00 0.00 33.47 27.66 3d74 s TRP 116 CO 0.91 -1.93 0.13 -0.59 -4.62 0.00 0.00 176.95 170.85 3d74 s PHE 117 N 7.88 3.33 -0.02 5.86 -0.71 -1.26 -4.83 117.98 128.22 3d74 s PHE 117 Ca 0.58 0.16 0.01 0.00 -1.04 0.00 0.00 56.93 56.64 3d74 s PHE 117 Cb -0.06 -1.69 0.01 0.00 -1.21 0.00 0.00 43.02 40.08 3d74 s PHE 117 CO 0.01 0.55 -0.03 0.08 -1.34 0.00 0.00 175.22 174.50 3d74 s VAL 118 N -1.42 0.35 0.00 -2.49 1.01 -1.26 -5.01 120.40 111.58 3d74 s VAL 118 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3d74 s VAL 118 Cb -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.89 3d74 s VAL 118 CO 0.24 0.15 0.11 2.30 0.00 0.00 0.00 175.10 177.90