#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d78 n PRO 2 N 0.00 -0.22 0.22 0.00 -0.02 -1.26 -4.88 135.00 128.85 3d78 n PRO 2 Ca 0.00 -0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3d78 n PRO 2 Cb 0.00 -2.19 0.64 0.00 -0.02 0.00 0.00 33.50 31.92 3d78 n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3d78 h ASP 3 N -1.47 0.00 1.40 2.55 3.32 -2.05 -2.63 116.42 117.53 3d78 h ASP 3 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3d78 h ASP 3 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3d78 h ASP 3 CO 0.40 0.00 -0.03 -2.67 -1.72 0.00 0.00 179.24 175.22 3d78 n TRP 4 N -2.75 0.82 -1.87 4.55 4.27 -1.26 -4.88 117.44 116.32 3d78 n TRP 4 Ca 0.01 0.24 -0.42 0.00 -3.89 0.00 0.00 57.50 53.44 3d78 n TRP 4 Cb 0.26 -0.88 -0.03 0.00 -1.36 0.00 0.00 31.31 29.30 3d78 n TRP 4 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3d78 s VAL 5 N -3.09 2.96 0.20 -1.67 1.01 -0.99 -4.90 120.40 113.90 3d78 s VAL 5 Ca 0.11 0.37 -0.33 0.00 0.00 0.00 0.00 61.98 62.13 3d78 s VAL 5 Cb 0.13 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.14 3d78 s VAL 5 CO 0.60 -0.01 1.58 -2.65 0.00 0.00 0.00 175.10 174.62 3d78 n PRO 6 N 5.84 2.31 -0.34 2.72 -0.02 -1.26 -4.86 135.00 139.39 3d78 n PRO 6 Ca 0.17 0.83 0.26 0.00 -2.02 0.00 0.00 63.50 62.74 3d78 n PRO 6 Cb 0.40 -2.59 0.55 0.00 -0.02 0.00 0.00 33.50 31.84 3d78 n PRO 6 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3d78 h PRO 7 N 5.64 0.30 0.00 0.52 0.11 -1.96 -1.22 132.00 135.38 3d78 h PRO 7 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3d78 h PRO 7 Cb 1.24 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d78 h PRO 7 CO 0.87 0.20 -0.07 1.49 -0.21 0.00 0.00 178.00 180.27 3d78 h GLU 8 N 0.31 0.00 -0.06 1.05 4.81 -2.02 -2.56 114.58 116.11 3d78 h GLU 8 Ca 0.62 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.83 3d78 h GLU 8 Cb 1.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 3d78 h GLU 8 CO -0.29 0.07 -0.05 0.28 -0.73 0.00 0.00 179.01 178.29 3d78 h VAL 9 N 0.00 1.08 -0.20 0.32 2.07 -1.58 0.11 116.25 118.05 3d78 h VAL 9 Ca -0.00 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3d78 h VAL 9 Cb 0.13 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3d78 h VAL 9 CO 0.01 0.10 -0.23 -0.26 0.02 0.00 0.00 177.57 177.22 3d78 h PHE 10 N 0.09 0.38 0.19 1.57 -1.00 -1.63 -1.32 116.94 115.23 3d78 h PHE 10 Ca 0.02 -0.07 -0.32 0.00 2.81 0.00 0.00 57.97 60.42 3d78 h PHE 10 Cb 0.15 -0.10 0.02 0.00 3.61 0.00 0.00 35.95 39.63 3d78 h PHE 10 CO 0.00 0.56 -1.51 -0.44 -1.61 0.00 0.00 178.31 175.31 3d78 h ASP 11 N 0.32 0.62 -0.91 2.17 3.32 -1.48 -3.30 116.42 117.17 3d78 h ASP 11 Ca 0.05 -0.92 0.10 0.00 0.02 0.00 0.00 57.03 56.29 3d78 h ASP 11 Cb 0.58 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 3d78 h ASP 11 CO 0.04 1.69 0.55 0.25 -1.72 0.00 0.00 179.24 180.05 3d78 h LEU 12 N -0.02 0.80 -0.21 1.55 5.85 -0.73 -2.48 115.31 120.08 3d78 h LEU 12 Ca -0.29 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3d78 h LEU 12 Cb 2.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.92 3d78 h LEU 12 CO 0.18 0.44 -0.25 1.33 -0.34 0.00 0.00 178.44 179.80 3d78 n VAL 13 N -4.68 0.00 -0.28 1.05 0.24 -0.52 -4.51 118.33 109.63 3d78 n VAL 13 Ca 0.16 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.34 62.36 3d78 n VAL 13 Cb 0.31 0.10 0.07 0.00 -1.47 0.00 0.00 33.84 32.84 3d78 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d78 h ALA 14 N 3.38 0.98 -0.02 2.33 0.00 -1.51 0.26 119.26 124.67 3d78 h ALA 14 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d78 h ALA 14 Cb 0.46 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d78 h ALA 14 CO 0.00 0.41 0.00 1.49 0.00 0.00 0.00 179.25 181.15 3d78 h GLU 15 N 1.05 0.03 0.00 0.00 4.81 -1.80 -2.27 114.58 116.41 3d78 h GLU 15 Ca 0.28 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.36 3d78 h GLU 15 Cb -0.10 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3d78 h GLU 15 CO -0.06 0.30 -0.66 -0.44 -0.73 0.00 0.00 179.01 177.43 3d78 h ASP 16 N -0.24 0.00 -0.24 1.04 3.32 -1.77 -2.25 116.42 116.28 3d78 h ASP 16 Ca 0.01 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3d78 h ASP 16 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3d78 h ASP 16 CO 0.00 0.66 0.13 0.50 -1.72 0.00 0.00 179.24 178.81 3d78 h LYS 17 N 0.00 0.26 -0.21 3.56 3.64 -0.39 0.18 116.57 123.60 3d78 h LYS 17 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3d78 h LYS 17 Cb 1.19 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3d78 h LYS 17 CO 0.09 0.17 0.10 0.00 -2.27 0.00 0.00 179.45 177.53 3d78 h ALA 18 N 1.12 0.28 -0.15 5.00 0.00 -1.24 0.20 119.26 124.46 3d78 h ALA 18 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3d78 h ALA 18 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3d78 h ALA 18 CO -0.06 -0.16 0.07 -0.09 0.00 0.00 0.00 179.25 179.02 3d78 h ARG 19 N 0.21 0.21 -0.65 0.00 2.43 -1.24 -2.01 114.38 113.33 3d78 h ARG 19 Ca 0.07 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3d78 h ARG 19 Cb 0.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3d78 h ARG 19 CO -0.01 0.25 0.11 0.00 -1.51 0.00 0.00 179.97 178.82 3d78 h MET 21 N 0.98 0.90 -0.51 0.00 2.86 -0.91 -2.00 114.93 116.26 3d78 h MET 21 Ca 0.20 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3d78 h MET 21 Cb 0.42 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3d78 h MET 21 CO 0.01 0.71 0.22 0.77 1.06 0.00 0.00 176.91 179.68 3d78 h SER 22 N 0.87 0.68 0.03 1.22 0.02 -1.03 -0.20 113.55 115.14 3d78 h SER 22 Ca 0.22 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3d78 h SER 22 Cb 0.10 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3d78 h SER 22 CO -0.03 0.65 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.82 3d78 h GLU 23 N 0.68 0.26 -0.01 3.45 5.08 -0.91 -3.22 114.58 119.91 3d78 h GLU 23 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3d78 h GLU 23 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3d78 h GLU 23 CO -0.02 0.43 -0.04 0.72 -1.00 0.00 0.00 179.01 179.10 3d78 n HIS 24 N -4.24 0.00 -1.49 4.33 8.25 -0.77 -4.98 115.22 116.32 3d78 n HIS 24 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 3d78 n HIS 24 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 3d78 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d78 n GLY 25 N 0.70 0.77 3.76 -1.41 0.00 -0.15 -4.40 105.19 104.45 3d78 n GLY 25 Ca 0.06 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3d78 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d78 s THR 26 N -2.35 3.39 0.12 2.61 2.01 -0.80 -5.01 115.64 115.62 3d78 s THR 26 Ca 0.00 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.41 3d78 s THR 26 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3d78 s THR 26 CO 0.00 0.31 0.16 0.42 -0.69 0.00 0.00 174.62 174.82 3d78 s THR 27 N -1.19 4.78 0.42 -0.82 -4.23 -1.26 -4.80 115.64 108.54 3d78 s THR 27 Ca 0.46 -0.82 0.10 0.00 -1.18 0.00 0.00 61.69 60.25 3d78 s THR 27 Cb -0.32 -3.39 0.29 0.00 1.34 0.00 0.00 72.50 70.42 3d78 s THR 27 CO 0.42 -0.00 2.02 -0.61 -0.54 0.00 0.00 174.62 175.91 3d78 h GLN 28 N 2.71 0.49 -0.92 3.99 5.75 -2.00 -2.60 115.11 122.54 3d78 h GLN 28 Ca -0.47 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.01 3d78 h GLN 28 Cb 1.18 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.58 3d78 h GLN 28 CO 0.67 0.33 0.60 0.00 -2.65 0.00 0.00 178.83 177.77 3d78 h ALA 29 N 1.72 1.16 -0.61 3.38 0.00 -1.99 0.23 119.26 123.15 3d78 h ALA 29 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3d78 h ALA 29 Cb 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3d78 h ALA 29 CO -0.06 0.57 0.26 1.96 0.00 0.00 0.00 179.25 181.99 3d78 h GLN 30 N 1.25 0.87 -0.23 0.00 4.20 -1.88 -1.91 115.11 117.41 3d78 h GLN 30 Ca 0.33 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 3d78 h GLN 30 Cb -0.13 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.49 3d78 h GLN 30 CO -0.07 0.70 -0.16 0.82 -0.67 0.00 0.00 178.83 179.45 3d78 h ILE 31 N 0.87 1.31 -0.61 2.54 2.04 -1.20 -2.79 117.51 119.68 3d78 h ILE 31 Ca 0.21 -1.29 0.08 0.00 1.00 0.00 0.00 64.86 64.86 3d78 h ILE 31 Cb 0.14 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3d78 h ILE 31 CO -0.02 0.40 0.40 0.44 0.00 0.00 0.00 178.15 179.37 3d78 h ASP 32 N 0.21 0.45 -0.39 1.72 3.32 -0.67 -2.66 116.42 118.40 3d78 h ASP 32 Ca 0.04 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3d78 h ASP 32 Cb 0.69 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3d78 h ASP 32 CO 0.04 0.28 -0.27 0.44 -1.72 0.00 0.00 179.24 178.02 3d78 h ASP 33 N 0.51 0.91 -0.71 6.45 3.32 -1.14 -2.82 116.42 122.94 3d78 h ASP 33 Ca 0.27 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 56.96 3d78 h ASP 33 Cb 0.40 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 3d78 h ASP 33 CO -0.08 1.15 0.39 0.58 -1.72 0.00 0.00 179.24 179.56 3d78 h VAL 34 N 0.68 0.95 0.00 -1.35 2.07 -1.22 0.24 116.25 117.62 3d78 h VAL 34 Ca 0.08 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3d78 h VAL 34 Cb 0.84 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3d78 h VAL 34 CO 0.07 0.13 0.00 0.78 0.02 0.00 0.00 177.57 178.57 3d78 h ASN 35 N 0.70 0.00 -0.56 0.57 2.35 -1.44 0.31 115.58 117.51 3d78 h ASN 35 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3d78 h ASN 35 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3d78 h ASN 35 CO -0.20 0.00 0.00 2.29 -1.65 0.00 0.00 177.43 177.87 3d78 n LYS 36 N -2.92 3.75 -0.82 0.81 2.85 -0.69 -4.93 118.16 116.21 3d78 n LYS 36 Ca 0.00 -2.86 0.00 0.00 -1.05 0.00 0.00 58.31 54.40 3d78 n LYS 36 Cb 0.24 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 3d78 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d78 n GLY 37 N 0.78 0.51 2.70 2.58 0.00 0.10 -4.98 105.19 106.87 3d78 n GLY 37 Ca 0.24 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3d78 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d78 n ASN 38 N 1.30 4.57 -4.75 1.61 3.02 0.75 -5.00 115.26 116.77 3d78 n ASN 38 Ca 0.00 -3.39 -0.37 0.00 -0.03 0.00 0.00 54.58 50.79 3d78 n ASN 38 Cb 0.00 -0.90 -0.06 0.00 -0.61 0.00 0.00 39.78 38.21 3d78 n ASN 38 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3d78 s LEU 39 N -2.40 4.30 0.12 3.41 2.96 -1.26 -4.14 118.68 121.66 3d78 s LEU 39 Ca 0.35 0.68 0.11 0.00 -0.22 0.00 0.00 54.13 55.04 3d78 s LEU 39 Cb 0.08 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3d78 s LEU 39 CO 0.00 0.12 -0.26 0.68 -1.32 0.00 0.00 176.35 175.57 3d78 s VAL 40 N 0.20 2.20 -1.27 1.68 -7.23 -1.26 -5.06 120.40 109.67 3d78 s VAL 40 Ca 0.21 -1.70 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 3d78 s VAL 40 Cb -0.14 -1.95 0.12 0.00 0.56 0.00 0.00 36.38 34.98 3d78 s VAL 40 CO 0.07 0.11 1.66 -3.20 -0.31 0.00 0.00 175.10 173.44 3d78 n ASN 41 N 1.02 4.99 -4.03 4.85 5.15 -1.26 -4.72 115.26 121.27 3d78 n ASN 41 Ca -0.18 -2.96 -0.26 0.00 -0.60 0.00 0.00 54.58 50.58 3d78 n ASN 41 Cb 0.53 -1.63 -0.17 0.00 -0.53 0.00 0.00 39.78 37.98 3d78 n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3d78 s GLU 42 N 2.52 1.90 0.51 1.20 2.02 -1.26 -5.05 118.70 120.54 3d78 s GLU 42 Ca 0.47 -0.46 0.27 0.00 0.02 0.00 0.00 54.97 55.27 3d78 s GLU 42 Cb 0.02 -1.62 1.37 0.00 0.10 0.00 0.00 34.13 34.01 3d78 s GLU 42 CO 0.02 -0.03 1.90 -1.35 0.02 0.00 0.00 175.26 175.82 3d78 h PRO 43 N 7.25 0.10 -0.03 0.39 0.11 -1.96 -0.66 132.00 137.19 3d78 h PRO 43 Ca -0.30 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.81 3d78 h PRO 43 Cb 1.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3d78 h PRO 43 CO 0.47 0.06 0.03 0.66 -0.21 0.00 0.00 178.00 179.02 3d78 h SER 44 N 0.10 0.00 0.00 -2.05 4.64 -1.95 0.32 113.55 114.61 3d78 h SER 44 Ca 0.41 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.45 3d78 h SER 44 Cb 1.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.51 3d78 h SER 44 CO -0.05 0.00 -2.05 0.00 -0.87 0.00 0.00 176.83 173.86 3d78 n ILE 45 N -3.87 1.06 -0.06 0.95 0.13 -0.38 -4.10 119.36 113.08 3d78 n ILE 45 Ca -0.02 -0.40 -0.11 0.00 -1.10 0.00 0.00 62.75 61.11 3d78 n ILE 45 Cb 0.12 -1.16 0.02 0.00 -0.84 0.00 0.00 39.64 37.78 3d78 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d78 h THR 46 N -0.01 1.29 0.00 9.51 1.35 -1.09 -1.95 112.91 122.01 3d78 h THR 46 Ca -0.41 -1.65 -0.12 0.00 -0.55 0.00 0.00 66.41 63.68 3d78 h THR 46 Cb 1.64 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 69.60 3d78 h THR 46 CO -0.07 0.54 -0.55 0.00 -0.25 0.00 0.00 175.52 175.19 3d78 h TYR 48 N 0.00 0.14 -0.45 0.00 3.20 -1.57 0.44 116.97 118.74 3d78 h TYR 48 Ca -0.01 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3d78 h TYR 48 Cb 1.20 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 3d78 h TYR 48 CO 0.00 0.11 0.22 0.52 -1.64 0.00 0.00 178.16 177.38 3d78 h MET 49 N 0.13 0.44 -0.28 1.82 2.86 -1.19 -1.12 114.93 117.58 3d78 h MET 49 Ca 0.04 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3d78 h MET 49 Cb 0.01 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3d78 h MET 49 CO -0.01 0.29 0.03 -0.92 1.06 0.00 0.00 176.91 177.36 3d78 h TYR 50 N 0.45 0.05 -0.62 -0.22 3.20 -1.19 -1.00 116.97 117.63 3d78 h TYR 50 Ca 0.19 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.17 3d78 h TYR 50 Cb 0.10 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 3d78 h TYR 50 CO -0.10 -0.01 0.25 0.00 -1.64 0.00 0.00 178.16 176.66 3d78 h LEU 52 N 0.43 0.89 -0.36 0.00 5.85 -0.91 -1.53 115.31 119.68 3d78 h LEU 52 Ca 0.31 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.40 3d78 h LEU 52 Cb 0.37 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3d78 h LEU 52 CO -0.30 1.40 0.22 -0.07 -0.34 0.00 0.00 178.44 179.35 3d78 h LEU 53 N 0.46 0.37 -1.23 2.25 3.38 -0.87 -2.55 115.31 117.12 3d78 h LEU 53 Ca -0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3d78 h LEU 53 Cb 1.40 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 3d78 h LEU 53 CO 0.16 0.27 0.21 -0.08 0.09 0.00 0.00 178.44 179.09 3d78 h GLU 54 N 0.45 0.75 -0.26 1.13 4.22 -0.72 -0.67 114.58 119.49 3d78 h GLU 54 Ca 0.14 -0.11 0.07 0.00 0.08 0.00 0.00 59.36 59.55 3d78 h GLU 54 Cb -0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3d78 h GLU 54 CO -0.05 0.61 0.19 0.00 -2.18 0.00 0.00 179.01 177.58 3d78 h ALA 55 N 1.49 2.21 -0.52 2.92 0.00 -0.84 -1.21 119.26 123.31 3d78 h ALA 55 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3d78 h ALA 55 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d78 h ALA 55 CO -0.02 -0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.10 3d78 n PHE 56 N -4.40 0.99 -1.72 0.00 3.72 -0.85 -4.95 117.46 110.25 3d78 n PHE 56 Ca 0.03 -0.59 -0.20 0.00 -0.05 0.00 0.00 57.45 56.64 3d78 n PHE 56 Cb 0.34 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.67 3d78 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3d78 n SER 57 N 0.82 -5.52 0.24 4.37 7.64 -0.46 -4.87 113.62 115.85 3d78 n SER 57 Ca 0.20 0.42 0.13 0.00 1.01 0.00 0.00 58.87 60.64 3d78 n SER 57 Cb 0.69 -4.77 0.53 0.00 -1.01 0.00 0.00 64.21 59.64 3d78 n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3d78 h LEU 58 N 0.00 0.00 -8.26 -3.43 3.38 -1.37 -3.43 115.31 102.19 3d78 h LEU 58 Ca -0.43 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.29 3d78 h LEU 58 Cb 1.34 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.90 3d78 h LEU 58 CO 0.61 0.13 -0.72 0.68 0.09 0.00 0.00 178.44 179.23 3d78 s VAL 59 N -3.64 0.59 0.20 1.22 -7.23 -1.25 -0.61 120.40 109.68 3d78 s VAL 59 Ca 0.01 -1.39 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3d78 s VAL 59 Cb 0.09 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 36.08 3d78 s VAL 59 CO 0.60 -0.56 0.27 -0.90 -0.31 0.00 0.00 175.10 174.20 3d78 n ASP 60 N 0.92 0.32 0.15 4.85 5.68 -0.93 -4.53 116.55 123.01 3d78 n ASP 60 Ca -0.19 -1.28 0.11 0.00 -0.50 0.00 0.00 54.79 52.93 3d78 n ASP 60 Cb 0.57 -0.18 0.55 0.00 -1.14 0.00 0.00 41.12 40.92 3d78 n ASP 60 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3d78 n ASP 61 N -3.00 0.57 -0.85 -1.12 8.00 -1.26 -0.91 116.55 117.98 3d78 n ASP 61 Ca 0.04 0.73 0.08 0.00 0.71 0.00 0.00 54.79 56.36 3d78 n ASP 61 Cb 0.15 -0.82 0.24 0.00 -0.02 0.00 0.00 41.12 40.68 3d78 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d78 n GLU 62 N -2.23 2.93 -2.38 -1.24 1.02 -1.26 -4.99 120.64 112.49 3d78 n GLU 62 Ca -0.01 -2.69 -0.17 0.00 -0.02 0.00 0.00 57.16 54.27 3d78 n GLU 62 Cb 0.08 -1.74 -0.00 0.00 -0.02 0.00 0.00 31.44 29.76 3d78 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d78 n ALA 63 N -0.31 -0.52 -2.70 0.62 0.00 -0.08 -4.87 120.51 112.65 3d78 n ALA 63 Ca 0.19 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 3d78 n ALA 63 Cb 0.81 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 3d78 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d78 s ASN 64 N -2.31 6.72 0.28 0.00 0.01 -1.26 -4.76 114.94 113.62 3d78 s ASN 64 Ca 0.03 0.87 -0.29 0.00 -0.71 0.00 0.00 52.86 52.75 3d78 s ASN 64 Cb -0.01 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.23 3d78 s ASN 64 CO 0.04 -0.10 1.29 -0.69 -1.51 0.00 0.00 177.10 176.12 3d78 s VAL 65 N 1.05 2.95 -0.51 1.60 1.01 -1.26 -2.18 120.40 123.06 3d78 s VAL 65 Ca 0.28 0.89 -0.20 0.00 0.00 0.00 0.00 61.98 62.95 3d78 s VAL 65 Cb -0.16 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3d78 s VAL 65 CO 0.12 0.19 0.68 -0.62 0.00 0.00 0.00 175.10 175.47 3d78 s ASP 66 N -0.27 6.25 0.26 3.32 -1.08 0.22 -4.95 116.67 120.41 3d78 s ASP 66 Ca 0.51 -0.76 -0.04 0.00 -0.52 0.00 0.00 52.55 51.74 3d78 s ASP 66 Cb -0.38 -2.32 0.31 0.00 -1.46 0.00 0.00 42.92 39.07 3d78 s ASP 66 CO 0.47 -0.94 1.82 -0.33 0.52 0.00 0.00 175.17 176.71 3d78 h GLU 67 N 9.04 1.00 -0.33 4.34 5.08 -1.94 -1.47 114.58 130.30 3d78 h GLU 67 Ca -0.27 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3d78 h GLU 67 Cb 1.09 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3d78 h GLU 67 CO 0.98 0.83 0.21 -0.44 -1.00 0.00 0.00 179.01 179.59 3d78 h ASP 68 N 0.98 0.39 -0.26 1.42 3.32 -1.98 0.48 116.42 120.78 3d78 h ASP 68 Ca 0.23 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 3d78 h ASP 68 Cb 0.22 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3d78 h ASP 68 CO -0.02 0.32 -0.48 0.40 -1.72 0.00 0.00 179.24 177.74 3d78 h ILE 69 N 0.44 1.28 -0.33 0.35 2.04 -1.86 -0.45 117.51 118.98 3d78 h ILE 69 Ca 0.12 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 3d78 h ILE 69 Cb -0.01 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3d78 h ILE 69 CO -0.02 0.54 0.13 -0.03 0.00 0.00 0.00 178.15 178.77 3d78 h MET 70 N 0.66 0.50 -0.58 2.37 4.05 -1.14 -2.26 114.93 118.52 3d78 h MET 70 Ca 0.03 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 3d78 h MET 70 Cb 1.07 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.76 3d78 h MET 70 CO 0.11 0.50 0.16 -0.07 0.23 0.00 0.00 176.91 177.84 3d78 h LEU 71 N 0.38 0.82 -1.21 3.39 3.38 -0.77 -2.19 115.31 119.13 3d78 h LEU 71 Ca 0.11 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.06 3d78 h LEU 71 Cb 0.19 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3d78 h LEU 71 CO -0.01 0.79 0.58 1.23 0.09 0.00 0.00 178.44 181.12 3d78 h GLY 72 N 0.99 1.31 1.45 0.83 0.00 -0.83 -3.06 103.07 103.76 3d78 h GLY 72 Ca 0.19 -0.35 -0.28 0.00 0.00 0.00 0.00 47.33 46.89 3d78 h GLY 72 CO -0.01 0.15 -1.38 -2.00 0.00 0.00 0.00 176.54 173.31 3d78 h LEU 73 N 0.83 0.29 -9.97 3.11 5.85 -0.95 -3.46 115.31 111.01 3d78 h LEU 73 Ca 0.44 -0.37 -0.50 0.00 0.84 0.00 0.00 57.88 58.28 3d78 h LEU 73 Cb 0.54 -0.10 0.05 0.00 0.37 0.00 0.00 40.66 41.52 3d78 h LEU 73 CO -0.20 1.31 0.48 -0.76 -0.34 0.00 0.00 178.44 178.93 3d78 s LEU 74 N -6.89 4.11 0.83 2.25 1.43 -0.87 -5.01 118.68 114.53 3d78 s LEU 74 Ca -0.06 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 3d78 s LEU 74 Cb 0.08 -4.14 0.09 0.00 0.03 0.00 0.00 46.19 42.25 3d78 s LEU 74 CO 0.85 -0.76 1.12 -2.16 0.23 0.00 0.00 176.35 175.64 3d78 s PRO 75 N -2.50 1.71 0.38 1.29 0.04 -1.26 -4.89 135.00 129.76 3d78 s PRO 75 Ca 0.60 1.38 0.10 0.00 0.04 0.00 0.00 61.00 63.11 3d78 s PRO 75 Cb -0.29 -1.82 0.86 0.00 0.04 0.00 0.00 34.50 33.29 3d78 s PRO 75 CO 0.35 -2.09 1.92 -0.44 0.04 0.00 0.00 177.00 176.79 3d78 h ASP 76 N -1.39 0.58 -0.32 6.66 3.32 -1.95 -1.31 116.42 122.01 3d78 h ASP 76 Ca -0.44 0.02 0.09 0.00 0.02 0.00 0.00 57.03 56.73 3d78 h ASP 76 Cb 1.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3d78 h ASP 76 CO 0.47 0.33 0.28 -0.61 -1.72 0.00 0.00 179.24 177.99 3d78 h GLN 77 N 0.64 0.00 -0.14 3.56 4.15 -2.01 -2.37 115.11 118.94 3d78 h GLN 77 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 3d78 h GLN 77 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3d78 h GLN 77 CO -0.14 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.04 3d78 n LEU 78 N -4.05 2.77 0.02 -2.39 7.99 -0.50 -4.68 117.00 116.16 3d78 n LEU 78 Ca 0.05 -1.20 -0.11 0.00 -0.01 0.00 0.00 56.01 54.73 3d78 n LEU 78 Cb 0.45 -0.08 -0.06 0.00 -0.11 0.00 0.00 43.42 43.62 3d78 n LEU 78 CO 0.31 0.54 0.87 1.56 -1.51 0.00 0.00 177.39 179.16 3d78 h GLN 79 N 3.64 0.01 0.00 3.23 1.08 -1.43 0.14 115.11 121.79 3d78 h GLN 79 Ca 0.00 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3d78 h GLN 79 Cb 0.81 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3d78 h GLN 79 CO 0.00 0.01 -0.00 1.49 -0.95 0.00 0.00 178.83 179.38 3d78 h GLU 80 N 0.01 -0.00 -0.62 1.46 4.81 -1.83 -0.09 114.58 118.32 3d78 h GLU 80 Ca 0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3d78 h GLU 80 Cb 0.02 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3d78 h GLU 80 CO -0.03 0.17 0.32 0.00 -0.73 0.00 0.00 179.01 178.73 3d78 h ARG 81 N -0.17 0.88 -0.60 1.92 3.08 -1.84 -2.45 114.38 115.20 3d78 h ARG 81 Ca -0.00 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3d78 h ARG 81 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3d78 h ARG 81 CO 0.00 0.69 -0.03 0.00 -1.07 0.00 0.00 179.97 179.56 3d78 h ALA 82 N 1.14 0.82 -0.50 0.04 0.00 -0.58 -1.41 119.26 118.77 3d78 h ALA 82 Ca 0.22 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3d78 h ALA 82 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3d78 h ALA 82 CO -0.03 0.67 0.12 0.37 0.00 0.00 0.00 179.25 180.38 3d78 h GLN 83 N 0.97 0.76 0.01 0.00 5.75 -0.83 -0.18 115.11 121.59 3d78 h GLN 83 Ca 0.17 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3d78 h GLN 83 Cb 0.59 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.02 3d78 h GLN 83 CO 0.04 0.69 -0.00 1.03 -2.65 0.00 0.00 178.83 177.93 3d78 h SER 84 N 0.74 -0.01 -0.70 -0.69 0.87 -1.09 -1.78 113.55 110.89 3d78 h SER 84 Ca 0.16 -0.31 0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3d78 h SER 84 Cb 0.28 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 3d78 h SER 84 CO -0.00 0.30 0.37 0.58 -0.53 0.00 0.00 176.83 177.55 3d78 h VAL 85 N -0.33 0.91 -0.38 2.23 2.07 -0.91 -2.06 116.25 117.77 3d78 h VAL 85 Ca -0.00 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3d78 h VAL 85 Cb 0.32 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3d78 h VAL 85 CO 0.00 0.12 -0.08 0.24 0.02 0.00 0.00 177.57 177.87 3d78 h MET 86 N 0.65 0.65 -0.95 1.57 2.07 -0.97 -1.18 114.93 116.76 3d78 h MET 86 Ca 0.33 -0.19 0.07 0.00 -2.07 0.00 0.00 59.70 57.85 3d78 h MET 86 Cb 0.28 -0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 29.88 3d78 h MET 86 CO -0.23 0.72 0.60 0.78 1.07 0.00 0.00 176.91 179.86 3d78 h GLY 87 N 0.95 1.46 1.83 8.32 0.00 -0.65 -0.57 103.07 114.41 3d78 h GLY 87 Ca 0.11 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 3d78 h GLY 87 CO 0.03 0.28 -0.79 0.50 0.00 0.00 0.00 176.54 176.56 3d78 h LYS 88 N 1.08 0.00 0.00 4.80 1.57 -0.81 -3.38 116.57 119.83 3d78 h LYS 88 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3d78 h LYS 88 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3d78 h LYS 88 CO -0.19 0.59 -0.24 0.00 -0.57 0.00 0.00 179.45 179.05 3d78 s LEU 90 N -2.24 3.04 0.58 0.00 1.43 -0.23 -4.23 118.68 117.03 3d78 s LEU 90 Ca 0.02 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 3d78 s LEU 90 Cb 0.04 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3d78 s LEU 90 CO 0.20 0.17 1.06 -2.16 0.23 0.00 0.00 176.35 175.85 3d78 s PRO 91 N -2.28 3.37 0.65 1.29 0.04 -1.26 -4.80 135.00 132.01 3d78 s PRO 91 Ca 0.22 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 3d78 s PRO 91 Cb -0.11 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3d78 s PRO 91 CO 0.14 -0.78 1.27 0.95 0.04 0.00 0.00 177.00 178.62 3d78 s THR 92 N -2.32 2.18 -0.07 1.26 -4.23 -1.26 -5.05 115.64 106.14 3d78 s THR 92 Ca 0.65 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 61.13 3d78 s THR 92 Cb -0.17 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.72 3d78 s THR 92 CO 0.34 -0.03 0.33 -0.55 -0.54 0.00 0.00 174.62 174.16 3d78 s SER 93 N -1.53 -0.28 0.00 3.99 0.15 -1.26 -4.99 113.70 109.79 3d78 s SER 93 Ca 0.80 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.85 3d78 s SER 93 Cb -0.35 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 3d78 s SER 93 CO 0.39 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.16 3d78 n GLY 94 N 2.10 2.11 0.16 9.45 0.00 -1.26 -4.40 105.19 113.34 3d78 n GLY 94 Ca -0.17 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 3d78 n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d78 h SER 95 N 0.00 0.32 -5.62 1.61 4.64 -2.00 -3.45 113.55 109.04 3d78 h SER 95 Ca 0.00 -0.21 -0.32 0.00 -0.47 0.00 0.00 61.79 60.79 3d78 h SER 95 Cb 0.00 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 61.90 3d78 h SER 95 CO 0.00 0.92 -0.27 1.51 -0.87 0.00 0.00 176.83 178.12 3d78 s ASP 96 N -6.92 1.10 0.23 4.97 1.47 -1.26 -5.05 116.67 111.21 3d78 s ASP 96 Ca -0.04 -1.55 -0.06 0.00 1.18 0.00 0.00 52.55 52.07 3d78 s ASP 96 Cb 0.11 0.64 0.22 0.00 -0.34 0.00 0.00 42.92 43.54 3d78 s ASP 96 CO 0.82 -1.24 1.82 0.78 0.68 0.00 0.00 175.17 178.02 3d78 h ASN 97 N 2.12 1.07 -0.23 2.11 2.35 -1.91 -0.44 115.58 120.65 3d78 h ASN 97 Ca -0.28 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.25 3d78 h ASN 97 Cb 1.24 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 3d78 h ASN 97 CO 0.38 0.92 -0.19 0.00 -1.65 0.00 0.00 177.43 176.89 3d78 h ASN 99 N 0.24 1.04 -0.86 0.00 4.21 -1.88 -0.13 115.58 118.20 3d78 h ASN 99 Ca 0.04 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.59 3d78 h ASN 99 Cb 0.73 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.65 3d78 h ASN 99 CO 0.05 0.69 0.55 0.11 -1.29 0.00 0.00 177.43 177.54 3d78 h LYS 100 N 1.20 1.04 -0.23 0.81 1.57 -0.83 0.90 116.57 121.04 3d78 h LYS 100 Ca 0.41 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.92 3d78 h LYS 100 Cb 0.09 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.17 3d78 h LYS 100 CO -0.15 0.69 -0.66 0.82 -0.57 0.00 0.00 179.45 179.58 3d78 h ILE 101 N 1.07 1.27 -0.42 1.86 1.08 -0.96 -0.94 117.51 120.48 3d78 h ILE 101 Ca 0.34 -1.84 0.07 0.00 -0.39 0.00 0.00 64.86 63.04 3d78 h ILE 101 Cb 0.01 1.79 -0.06 0.00 -3.07 0.00 0.00 36.82 35.49 3d78 h ILE 101 CO -0.12 0.59 0.07 0.22 -0.69 0.00 0.00 178.15 178.23 3d78 h TYR 102 N 0.62 0.11 -0.77 1.37 3.20 -0.66 0.78 116.97 121.61 3d78 h TYR 102 Ca -0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3d78 h TYR 102 Cb 1.28 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.53 3d78 h TYR 102 CO 0.08 -0.01 0.28 -0.91 -1.64 0.00 0.00 178.16 175.96 3d78 h ASN 103 N 0.20 1.09 -0.14 -2.11 2.35 -0.68 -0.60 115.58 115.69 3d78 h ASN 103 Ca 0.20 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3d78 h ASN 103 Cb 0.26 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3d78 h ASN 103 CO -0.28 0.99 0.07 0.25 -1.65 0.00 0.00 177.43 176.81 3d78 h LEU 104 N 1.14 0.18 -0.58 1.61 5.85 -0.80 -1.33 115.31 121.38 3d78 h LEU 104 Ca 0.25 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3d78 h LEU 104 Cb 0.26 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3d78 h LEU 104 CO -0.02 0.25 0.38 0.00 -0.34 0.00 0.00 178.44 178.71 3d78 h ALA 105 N 0.94 0.74 -0.81 1.25 0.00 -0.40 -0.74 119.26 120.24 3d78 h ALA 105 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3d78 h ALA 105 Cb 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3d78 h ALA 105 CO -0.01 0.15 0.44 0.87 0.00 0.00 0.00 179.25 180.70 3d78 h LYS 106 N 0.77 1.14 -0.53 0.00 1.79 -1.00 -0.22 116.57 118.51 3d78 h LYS 106 Ca 0.22 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3d78 h LYS 106 Cb -0.06 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.35 3d78 h LYS 106 CO -0.06 0.85 0.25 0.00 -1.08 0.00 0.00 179.45 179.40 3d78 h VAL 108 N 0.71 1.27 -0.29 0.00 2.07 -0.86 -2.89 116.25 116.26 3d78 h VAL 108 Ca 0.18 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.30 3d78 h VAL 108 Cb 0.13 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3d78 h VAL 108 CO -0.02 0.49 0.20 -0.61 0.02 0.00 0.00 177.57 177.65 3d78 h GLN 109 N 0.82 0.17 -0.32 1.57 5.75 -0.86 0.84 115.11 123.07 3d78 h GLN 109 Ca 0.09 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 3d78 h GLN 109 Cb 0.86 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 3d78 h GLN 109 CO 0.08 0.11 0.17 1.49 -2.65 0.00 0.00 178.83 178.02 3d78 h GLU 110 N 0.17 0.45 0.03 1.69 4.81 -1.24 -3.26 114.58 117.25 3d78 h GLU 110 Ca 0.13 -0.06 -0.38 0.00 -0.13 0.00 0.00 59.36 58.91 3d78 h GLU 110 Cb 0.30 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 3d78 h GLU 110 CO -0.02 0.40 -2.33 -1.13 -0.73 0.00 0.00 179.01 175.20 3d78 n SER 111 N -4.78 2.01 -3.18 1.04 3.41 -1.13 -4.84 113.62 106.16 3d78 n SER 111 Ca -0.01 -0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.38 3d78 n SER 111 Cb 0.09 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 3d78 n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d78 n ALA 112 N -3.26 2.47 0.22 7.33 0.00 0.27 -4.96 120.51 122.58 3d78 n ALA 112 Ca -0.43 -3.58 0.13 0.00 0.00 0.00 0.00 53.44 49.57 3d78 n ALA 112 Cb 0.99 -0.87 0.75 0.00 0.00 0.00 0.00 19.45 20.32 3d78 n ALA 112 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3d78 h PRO 113 N 3.41 0.00 -0.00 0.00 0.13 -1.65 -1.37 132.00 132.52 3d78 h PRO 113 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3d78 h PRO 113 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3d78 h PRO 113 CO 0.53 0.00 -0.07 -0.40 -0.23 0.00 0.00 178.00 177.83 3d78 n ASP 114 N -4.21 0.28 -0.01 1.44 5.75 -1.26 -3.68 116.55 114.86 3d78 n ASP 114 Ca -0.00 -0.46 -0.09 0.00 -0.01 0.00 0.00 54.79 54.23 3d78 n ASP 114 Cb 0.21 -0.14 -0.14 0.00 -1.03 0.00 0.00 41.12 40.03 3d78 n ASP 114 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3d78 h VAL 115 N 0.34 0.99 -3.02 2.12 2.07 -1.60 -3.46 116.25 113.68 3d78 h VAL 115 Ca 0.00 -2.81 -0.61 0.00 0.82 0.00 0.00 66.70 64.10 3d78 h VAL 115 Cb 0.31 2.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 3d78 h VAL 115 CO 0.00 0.59 -0.21 0.86 0.02 0.00 0.00 177.57 178.83 3d78 s TRP 116 N -2.62 3.72 0.19 1.57 -0.11 -1.24 -5.09 118.94 115.36 3d78 s TRP 116 Ca -0.04 0.97 -0.20 0.00 1.22 0.00 0.00 56.10 58.05 3d78 s TRP 116 Cb 0.08 -2.27 0.04 0.00 -1.50 0.00 0.00 33.47 29.82 3d78 s TRP 116 CO 0.82 0.64 0.56 -0.59 -4.62 0.00 0.00 176.95 173.76 3d78 s PHE 117 N -1.11 -0.27 -0.02 5.86 -0.71 -1.26 -4.96 117.98 115.50 3d78 s PHE 117 Ca 0.24 -0.04 0.07 0.00 -1.04 0.00 0.00 56.93 56.16 3d78 s PHE 117 Cb -0.16 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 3d78 s PHE 117 CO 0.14 -0.92 -0.23 0.08 -1.34 0.00 0.00 175.22 172.95 3d78 s VAL 118 N -3.83 1.80 0.00 -2.49 1.01 -1.26 -5.04 120.40 110.58 3d78 s VAL 118 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3d78 s VAL 118 Cb -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3d78 s VAL 118 CO -0.06 0.51 0.48 0.00 0.00 0.00 0.00 175.10 176.03