#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d79 s LYS 6 N 0.00 4.18 -0.06 6.28 1.02 -1.26 -4.38 119.74 125.52 3d79 s LYS 6 Ca 0.00 0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.27 3d79 s LYS 6 Cb 0.00 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3d79 s LYS 6 CO 0.00 -0.08 -0.06 -1.01 -0.92 0.00 0.00 175.35 173.28 3d79 s HIS 7 N 1.43 2.96 0.36 3.18 3.76 -0.18 -4.88 115.29 121.93 3d79 s HIS 7 Ca 0.21 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.88 3d79 s HIS 7 Cb -0.15 -1.70 -0.10 0.00 1.11 0.00 0.00 32.58 31.74 3d79 s HIS 7 CO 0.09 0.36 1.32 -1.25 -0.85 0.00 0.00 174.74 174.41 3d79 s PRO 8 N -0.95 4.18 0.00 8.40 0.04 -1.26 -0.09 135.00 145.33 3d79 s PRO 8 Ca 0.14 2.22 -0.19 0.00 0.04 0.00 0.00 61.00 63.20 3d79 s PRO 8 Cb -0.11 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 3d79 s PRO 8 CO 0.03 -0.34 0.55 -1.17 0.04 0.00 0.00 177.00 176.11 3d79 s LEU 9 N -2.07 4.44 0.69 -3.56 2.96 -0.01 -4.81 118.68 116.32 3d79 s LEU 9 Ca 0.52 1.12 -0.15 0.00 -0.22 0.00 0.00 54.13 55.41 3d79 s LEU 9 Cb -0.39 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.47 3d79 s LEU 9 CO 0.52 0.17 1.16 -0.94 -1.32 0.00 0.00 176.35 175.94 3d79 s SER 10 N -0.47 4.68 0.25 3.68 1.04 -1.26 -4.78 113.70 116.85 3d79 s SER 10 Ca 0.29 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 58.88 3d79 s SER 10 Cb -0.18 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 63.79 3d79 s SER 10 CO 0.16 -1.93 1.83 0.50 0.98 0.00 0.00 173.24 174.79 3d79 h LYS 11 N -0.07 0.89 -0.46 4.02 3.64 -1.98 0.03 116.57 122.65 3d79 h LYS 11 Ca -0.47 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3d79 h LYS 11 Cb 1.27 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 3d79 h LYS 11 CO 0.52 0.59 0.22 -0.22 -2.27 0.00 0.00 179.45 178.28 3d79 h LYS 12 N 0.91 0.42 -0.59 1.90 3.64 -1.99 -0.78 116.57 120.08 3d79 h LYS 12 Ca 0.42 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 3d79 h LYS 12 Cb 0.33 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3d79 h LYS 12 CO -0.23 0.28 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.75 3d79 h ASP 13 N 0.44 1.06 -0.39 4.20 3.32 -1.72 -1.94 116.42 121.39 3d79 h ASP 13 Ca 0.20 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.96 3d79 h ASP 13 Cb 0.13 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3d79 h ASP 13 CO -0.15 1.13 0.21 0.58 -1.72 0.00 0.00 179.24 179.28 3d79 h VAL 14 N 0.97 1.00 -0.63 -1.35 2.07 -0.70 -1.27 116.25 116.34 3d79 h VAL 14 Ca 0.16 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3d79 h VAL 14 Cb 0.61 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3d79 h VAL 14 CO 0.04 0.08 0.24 0.11 0.02 0.00 0.00 177.57 178.05 3d79 h LYS 15 N 0.42 0.93 -0.32 1.57 1.57 -0.98 -1.47 116.57 118.29 3d79 h LYS 15 Ca 0.16 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3d79 h LYS 15 Cb 0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3d79 h LYS 15 CO -0.10 0.77 -0.25 1.49 -0.57 0.00 0.00 179.45 180.79 3d79 h GLU 16 N 0.91 0.65 -0.26 3.15 4.57 -0.93 -0.71 114.58 121.96 3d79 h GLU 16 Ca 0.21 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3d79 h GLU 16 Cb 0.20 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3d79 h GLU 16 CO -0.02 0.84 0.11 0.82 -1.18 0.00 0.00 179.01 179.59 3d79 h ILE 17 N 0.56 1.16 -0.58 2.32 2.04 -0.75 -1.12 117.51 121.15 3d79 h ILE 17 Ca 0.08 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.52 3d79 h ILE 17 Cb 0.73 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 3d79 h ILE 17 CO 0.06 0.17 0.27 0.40 0.00 0.00 0.00 178.15 179.05 3d79 h ILE 18 N 0.28 0.89 -0.40 -0.67 2.04 -1.05 -0.28 117.51 118.32 3d79 h ILE 18 Ca 0.09 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3d79 h ILE 18 Cb 0.16 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3d79 h ILE 18 CO -0.01 0.09 0.20 0.00 0.00 0.00 0.00 178.15 178.43 3d79 h ALA 19 N 1.34 0.49 -0.18 1.87 0.00 -0.88 0.25 119.26 122.15 3d79 h ALA 19 Ca 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3d79 h ALA 19 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3d79 h ALA 19 CO -0.22 -0.16 0.10 1.96 0.00 0.00 0.00 179.25 180.93 3d79 h GLN 20 N 0.40 0.26 -0.80 0.00 4.20 -0.61 -1.87 115.11 116.70 3d79 h GLN 20 Ca 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3d79 h GLN 20 Cb 0.08 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3d79 h GLN 20 CO -0.12 0.27 0.41 -0.07 -0.67 0.00 0.00 178.83 178.64 3d79 h LEU 21 N 0.18 1.02 -0.89 1.46 3.38 -0.86 -1.96 115.31 117.65 3d79 h LEU 21 Ca 0.06 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3d79 h LEU 21 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3d79 h LEU 21 CO -0.01 0.85 0.25 0.28 0.09 0.00 0.00 178.44 179.90 3d79 h SER 22 N 1.12 0.99 -0.42 -0.43 0.02 -0.76 0.17 113.55 114.23 3d79 h SER 22 Ca 0.28 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3d79 h SER 22 Cb 0.08 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3d79 h SER 22 CO -0.04 0.90 -0.01 -0.61 -1.14 0.00 0.00 176.83 175.94 3d79 h GLN 23 N 1.04 0.75 -0.06 3.45 4.15 -1.05 -0.32 115.11 123.07 3d79 h GLN 23 Ca 0.23 -0.24 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 3d79 h GLN 23 Cb 0.24 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3d79 h GLN 23 CO -0.01 0.83 -0.31 0.52 -1.93 0.00 0.00 178.83 177.93 3d79 h MET 24 N 0.59 0.32 -0.00 1.69 2.86 -1.02 -3.38 114.93 115.99 3d79 h MET 24 Ca 0.12 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3d79 h MET 24 Cb 0.50 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3d79 h MET 24 CO 0.02 0.91 -0.39 1.19 1.06 0.00 0.00 176.91 179.70 3d79 n PHE 25 N -4.44 0.00 0.00 -0.22 3.72 0.56 -4.61 117.46 112.47 3d79 n PHE 25 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3d79 n PHE 25 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3d79 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d79 n GLY 26 N 1.17 -0.51 0.30 1.37 0.00 -0.13 -4.41 105.19 102.98 3d79 n GLY 26 Ca 0.02 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.52 3d79 n GLY 26 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3d79 h GLU 27 N 0.00 0.52 0.35 1.61 4.22 -1.88 -2.18 114.58 117.22 3d79 h GLU 27 Ca 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 3d79 h GLU 27 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3d79 h GLU 27 CO 0.00 0.37 -0.17 1.49 -2.18 0.00 0.00 179.01 178.52 3d79 h GLU 28 N 0.53 -0.46 -0.35 1.92 4.81 -1.94 -0.39 114.58 118.70 3d79 h GLU 28 Ca 0.14 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3d79 h GLU 28 Cb -0.02 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3d79 h GLU 28 CO -0.03 -0.20 0.13 0.82 -0.73 0.00 0.00 179.01 179.00 3d79 h ILE 29 N -0.66 1.20 -0.78 2.32 2.04 -1.75 -3.02 117.51 116.86 3d79 h ILE 29 Ca -0.05 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.29 3d79 h ILE 29 Cb 0.47 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 3d79 h ILE 29 CO 0.08 0.21 0.43 0.00 0.00 0.00 0.00 178.15 178.87 3d79 h ALA 30 N 0.97 1.09 -0.80 1.87 0.00 -1.38 -2.73 119.26 118.29 3d79 h ALA 30 Ca 0.12 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3d79 h ALA 30 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3d79 h ALA 30 CO -0.01 0.06 0.53 -0.09 0.00 0.00 0.00 179.25 179.74 3d79 h ARG 31 N 0.73 0.99 0.00 0.00 2.43 -0.93 -0.82 114.38 116.79 3d79 h ARG 31 Ca 0.37 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3d79 h ARG 31 Cb 0.34 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3d79 h ARG 31 CO -0.24 0.66 -0.31 0.87 -1.51 0.00 0.00 179.97 179.43 3d79 h LYS 32 N 1.02 0.00 0.09 0.20 1.57 -1.49 -3.20 116.57 114.76 3d79 h LYS 32 Ca 0.31 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.83 3d79 h LYS 32 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3d79 h LYS 32 CO -0.08 0.31 -1.16 0.52 -0.57 0.00 0.00 179.45 178.47 3d79 h MET 33 N 0.00 0.30 -1.85 3.15 2.86 -1.08 -3.47 114.93 114.84 3d79 h MET 33 Ca -0.00 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 3d79 h MET 33 Cb 0.90 0.16 -0.23 0.00 0.06 0.00 0.00 31.60 32.48 3d79 h MET 33 CO 0.04 1.18 0.18 -1.17 1.06 0.00 0.00 176.91 178.20 3d79 s LEU 34 N -7.29 -0.75 0.27 1.22 2.96 -0.69 -5.00 118.68 109.40 3d79 s LEU 34 Ca -0.04 1.27 0.09 0.00 -0.22 0.00 0.00 54.13 55.23 3d79 s LEU 34 Cb 0.08 2.20 -0.05 0.00 0.50 0.00 0.00 46.19 48.91 3d79 s LEU 34 CO 0.88 -0.21 -0.14 0.54 -1.32 0.00 0.00 176.35 176.10 3d79 s ASN 35 N 1.15 3.19 0.00 3.68 2.20 -1.26 -4.36 114.94 119.54 3d79 s ASN 35 Ca -0.06 -1.09 0.11 0.00 -0.94 0.00 0.00 52.86 50.88 3d79 s ASN 35 Cb -0.05 -0.24 0.58 0.00 -2.00 0.00 0.00 41.25 39.54 3d79 s ASN 35 CO -0.13 -0.13 1.25 2.29 -2.94 0.00 0.00 177.10 177.44 3d79 n LYS 36 N -0.58 0.17 0.00 3.55 2.85 -1.26 -1.75 118.16 121.14 3d79 n LYS 36 Ca -0.06 0.17 0.09 0.00 -1.05 0.00 0.00 58.31 57.45 3d79 n LYS 36 Cb 0.61 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.50 3d79 n LYS 36 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3d79 n LYS 37 N -1.27 1.58 -2.26 -1.58 5.02 -1.26 -5.01 118.16 113.39 3d79 n LYS 37 Ca 0.06 -0.94 -0.36 0.00 -2.02 0.00 0.00 58.31 55.05 3d79 n LYS 37 Cb 0.09 -1.32 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3d79 n LYS 37 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d79 s ASP 38 N -1.95 5.87 -0.39 4.39 1.01 -0.72 -4.98 116.67 119.91 3d79 s ASP 38 Ca 0.15 2.22 -0.29 0.00 0.71 0.00 0.00 52.55 55.35 3d79 s ASP 38 Cb 0.14 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.50 3d79 s ASP 38 CO 0.41 -1.12 1.10 -0.70 0.21 0.00 0.00 175.17 175.07 3d79 s GLU 39 N -3.09 3.92 -0.10 8.23 2.12 -1.26 -4.94 118.70 123.58 3d79 s GLU 39 Ca 0.70 0.85 0.02 0.00 0.36 0.00 0.00 54.97 56.89 3d79 s GLU 39 Cb -0.26 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.31 3d79 s GLU 39 CO 0.30 -1.10 -0.15 0.08 -0.54 0.00 0.00 175.26 173.84 3d79 s VAL 40 N 3.98 2.91 0.14 3.70 1.01 -1.26 -0.24 120.40 130.64 3d79 s VAL 40 Ca 0.46 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3d79 s VAL 40 Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3d79 s VAL 40 CO 0.22 0.55 -0.11 -0.54 0.00 0.00 0.00 175.10 175.22 3d79 s LYS 41 N -0.05 1.05 -0.06 2.72 1.02 -0.24 -0.83 119.74 123.35 3d79 s LYS 41 Ca -0.03 -1.38 0.04 0.00 0.02 0.00 0.00 55.97 54.62 3d79 s LYS 41 Cb -0.14 -0.72 -0.00 0.00 -0.52 0.00 0.00 37.83 36.45 3d79 s LYS 41 CO 0.04 0.11 -0.18 0.54 -0.92 0.00 0.00 175.35 174.94 3d79 s VAL 42 N -2.93 1.51 0.08 3.17 0.11 0.87 -0.51 120.40 122.71 3d79 s VAL 42 Ca 0.14 -0.74 0.10 0.00 -2.93 0.00 0.00 61.98 58.55 3d79 s VAL 42 Cb -0.00 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 3d79 s VAL 42 CO 0.02 0.43 -0.27 0.00 -3.33 0.00 0.00 175.10 171.95 3d79 s ALA 43 N 0.19 2.31 -0.03 1.54 0.00 0.07 -1.01 121.76 124.83 3d79 s ALA 43 Ca -0.08 -1.36 -0.25 0.00 0.00 0.00 0.00 51.96 50.27 3d79 s ALA 43 Cb -0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3d79 s ALA 43 CO 0.04 0.54 0.77 -2.00 0.00 0.00 0.00 175.76 175.10 3d79 s GLU 44 N -1.62 4.47 -0.18 0.00 2.12 -1.26 -0.08 118.70 122.15 3d79 s GLU 44 Ca 0.13 1.03 -0.15 0.00 0.36 0.00 0.00 54.97 56.34 3d79 s GLU 44 Cb -0.10 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 3d79 s GLU 44 CO 0.04 0.10 -0.13 0.34 -0.54 0.00 0.00 175.26 175.07 3d79 n PHE 45 N 3.56 0.68 -3.41 5.30 7.35 -0.52 -4.87 117.46 125.55 3d79 n PHE 45 Ca -0.00 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 3d79 n PHE 45 Cb 0.51 -0.84 0.00 0.00 0.35 0.00 0.00 39.48 39.50 3d79 n PHE 45 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3d79 n ASP 46 N -4.49 0.00 0.00 -2.13 5.68 -0.86 -5.00 116.55 109.75 3d79 n ASP 46 Ca -0.21 -0.71 0.11 0.00 -0.50 0.00 0.00 54.79 53.48 3d79 n ASP 46 Cb 0.50 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.95 3d79 n ASP 46 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3d79 n LYS 47 N 0.00 0.00 0.00 0.11 4.76 -1.26 -2.56 118.16 119.21 3d79 n LYS 47 Ca 0.00 0.12 0.01 0.00 -2.87 0.00 0.00 58.31 55.56 3d79 n LYS 47 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3d79 n LYS 47 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3d79 n THR 48 N -1.50 0.00 -4.01 -0.18 -2.24 -1.26 -5.04 114.28 100.05 3d79 n THR 48 Ca 0.05 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.12 3d79 n THR 48 Cb 0.26 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.35 3d79 n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3d79 s THR 49 N -0.24 0.52 0.19 4.28 2.01 -1.06 -4.29 115.64 117.05 3d79 s THR 49 Ca 0.01 -0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.07 3d79 s THR 49 Cb 0.01 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 3d79 s THR 49 CO 0.02 0.25 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.43 3d79 s GLU 50 N 1.35 1.81 -0.18 4.92 2.02 -0.38 -1.43 118.70 126.80 3d79 s GLU 50 Ca -0.04 -1.41 -0.04 0.00 0.02 0.00 0.00 54.97 53.50 3d79 s GLU 50 Cb -0.13 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 3d79 s GLU 50 CO -0.02 0.41 -0.04 0.42 0.02 0.00 0.00 175.26 176.05 3d79 s ILE 51 N -1.74 3.70 -0.25 -1.63 -1.09 0.88 -0.59 121.20 120.48 3d79 s ILE 51 Ca 0.23 -0.41 -0.10 0.00 -2.23 0.00 0.00 60.65 58.14 3d79 s ILE 51 Cb -0.08 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.11 3d79 s ILE 51 CO 0.13 0.46 0.15 -0.63 -1.23 0.00 0.00 174.94 173.82 3d79 s ILE 52 N 0.81 5.14 -0.14 2.92 -1.09 0.43 -0.75 121.20 128.52 3d79 s ILE 52 Ca -0.01 0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 3d79 s ILE 52 Cb -0.15 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 3d79 s ILE 52 CO 0.02 0.32 0.06 -0.76 -1.23 0.00 0.00 174.94 173.35 3d79 s LEU 53 N 1.30 3.84 -0.25 2.97 1.02 0.33 -0.74 118.68 127.16 3d79 s LEU 53 Ca 0.07 0.18 -0.01 0.00 0.02 0.00 0.00 54.13 54.38 3d79 s LEU 53 Cb -0.14 -1.93 0.03 0.00 0.02 0.00 0.00 46.19 44.16 3d79 s LEU 53 CO 0.06 0.29 -0.07 -0.69 0.02 0.00 0.00 176.35 175.96 3d79 s VAL 54 N -0.31 2.83 -1.44 -1.59 1.01 -0.06 -1.08 120.40 119.76 3d79 s VAL 54 Ca 0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3d79 s VAL 54 Cb -0.12 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3d79 s VAL 54 CO 0.02 0.20 0.37 0.59 0.00 0.00 0.00 175.10 176.28 3d79 n ASN 55 N 4.66 -0.27 0.00 3.32 3.02 0.67 -1.92 115.26 124.73 3d79 n ASN 55 Ca -0.16 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3d79 n ASN 55 Cb 0.47 -2.82 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 3d79 n ASN 55 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3d79 n ASP 56 N -2.96 -1.36 -4.70 6.41 8.00 -1.26 -5.01 116.55 115.67 3d79 n ASP 56 Ca -0.29 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.86 3d79 n ASP 56 Cb 0.68 -1.34 -0.08 0.00 -0.02 0.00 0.00 41.12 40.35 3d79 n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3d79 s LYS 57 N -0.59 4.11 0.02 -1.24 -2.85 -0.81 -5.03 119.74 113.35 3d79 s LYS 57 Ca 0.00 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.41 3d79 s LYS 57 Cb 0.00 -3.35 -0.08 0.00 -2.06 0.00 0.00 37.83 32.34 3d79 s LYS 57 CO 0.00 0.30 1.85 -1.25 0.10 0.00 0.00 175.35 176.35 3d79 s PRO 58 N 0.33 4.16 -0.02 1.78 0.04 -1.26 -0.88 135.00 139.14 3d79 s PRO 58 Ca 0.07 2.47 -0.00 0.00 0.04 0.00 0.00 61.00 63.57 3d79 s PRO 58 Cb -0.11 -4.04 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 3d79 s PRO 58 CO -0.01 -0.90 -0.03 -1.33 0.04 0.00 0.00 177.00 174.77 3d79 n MET 59 N 7.19 0.06 -4.19 4.56 2.81 0.08 -4.51 117.12 123.12 3d79 n MET 59 Ca 0.19 0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.92 3d79 n MET 59 Cb 0.41 -0.83 -0.12 0.00 -0.71 0.00 0.00 33.22 31.97 3d79 n MET 59 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3d79 s PHE 60 N -2.05 1.23 0.12 2.03 0.08 -0.88 -0.76 117.98 117.76 3d79 s PHE 60 Ca -0.03 -0.51 -0.17 0.00 0.12 0.00 0.00 56.93 56.33 3d79 s PHE 60 Cb 0.01 -0.68 -0.07 0.00 -0.57 0.00 0.00 43.02 41.71 3d79 s PHE 60 CO 0.05 0.07 0.58 -1.50 -0.10 0.00 0.00 175.22 174.32 3d79 s ILE 61 N -1.64 4.77 -0.10 0.64 2.07 0.08 -0.43 121.20 126.60 3d79 s ILE 61 Ca 0.01 1.07 0.02 0.00 -1.41 0.00 0.00 60.65 60.35 3d79 s ILE 61 Cb -0.08 -3.83 0.01 0.00 0.13 0.00 0.00 42.46 38.70 3d79 s ILE 61 CO 0.02 0.39 -0.17 -0.60 -1.91 0.00 0.00 174.94 172.68 3d79 s ARG 62 N -1.55 2.31 -0.22 3.50 3.52 0.24 -2.12 118.95 124.64 3d79 s ARG 62 Ca 0.34 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 3d79 s ARG 62 Cb -0.17 -1.89 0.04 0.00 -1.56 0.00 0.00 34.95 31.36 3d79 s ARG 62 CO 0.19 0.00 -0.16 1.03 -0.81 0.00 0.00 175.30 175.56 3d79 s ARG 63 N 0.79 2.65 2.86 5.12 1.81 -0.38 -1.25 118.95 130.56 3d79 s ARG 63 Ca -0.11 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 3d79 s ARG 63 Cb -0.16 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.63 3d79 s ARG 63 CO 0.01 -0.37 0.00 0.36 -0.68 0.00 0.00 175.30 174.62 3d79 n LYS 64 N 4.53 0.00 -0.07 3.54 -0.00 -1.26 -1.48 118.16 123.42 3d79 n LYS 64 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.17 3d79 n LYS 64 Cb 0.46 0.00 0.07 0.00 -0.00 0.00 0.00 35.03 35.57 3d79 n LYS 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3d79 n ASP 65 N 7.14 2.24 -4.68 -5.58 3.85 -1.26 -5.01 116.55 113.25 3d79 n ASP 65 Ca 0.00 -1.75 -0.35 0.00 -0.71 0.00 0.00 54.79 51.98 3d79 n ASP 65 Cb 0.00 -0.10 -0.09 0.00 -1.35 0.00 0.00 41.12 39.58 3d79 n ASP 65 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3d79 s LEU 66 N -0.86 3.76 0.28 -2.12 1.43 -0.55 -5.01 118.68 115.62 3d79 s LEU 66 Ca 0.12 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3d79 s LEU 66 Cb 0.07 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3d79 s LEU 66 CO 0.10 0.29 -0.13 0.27 0.23 0.00 0.00 176.35 177.10 3d79 s ILE 67 N -0.31 2.79 -0.11 -0.59 -5.25 -1.26 -1.25 121.20 115.22 3d79 s ILE 67 Ca 0.08 -2.23 -0.28 0.00 -0.99 0.00 0.00 60.65 57.23 3d79 s ILE 67 Cb -0.12 -2.50 0.07 0.00 2.95 0.00 0.00 42.46 42.85 3d79 s ILE 67 CO 0.02 -0.38 0.66 0.12 -1.79 0.00 0.00 174.94 173.57 3d79 s PHE 68 N -2.45 -0.65 0.35 1.37 5.36 -0.90 -4.97 117.98 116.08 3d79 s PHE 68 Ca 0.31 1.27 -0.27 0.00 -0.96 0.00 0.00 56.93 57.27 3d79 s PHE 68 Cb -0.05 0.35 -0.12 0.00 -0.34 0.00 0.00 43.02 42.86 3d79 s PHE 68 CO 0.17 -0.53 1.23 -2.30 -1.46 0.00 0.00 175.22 172.34 3d79 n PRO 69 N 1.44 1.95 -1.24 10.12 -0.02 -1.26 -0.74 135.00 145.25 3d79 n PRO 69 Ca -0.18 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 3d79 n PRO 69 Cb 0.56 -2.25 0.10 0.00 -0.02 0.00 0.00 33.50 31.89 3d79 n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d79 s LEU 70 N -0.89 3.05 0.23 2.45 1.43 0.06 -4.69 118.68 120.32 3d79 s LEU 70 Ca 0.57 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 55.48 3d79 s LEU 70 Cb -0.58 -4.53 0.22 0.00 0.03 0.00 0.00 46.19 41.33 3d79 s LEU 70 CO 0.61 -2.13 1.90 0.58 0.23 0.00 0.00 176.35 177.54 3d79 h VAL 71 N -1.10 1.21 -0.73 -1.59 2.07 -1.92 -1.72 116.25 112.46 3d79 h VAL 71 Ca -0.44 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 66.69 3d79 h VAL 71 Cb 1.24 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3d79 h VAL 71 CO 0.50 0.21 0.48 -0.29 0.02 0.00 0.00 177.57 178.50 3d79 h ILE 72 N 1.17 1.19 -0.46 4.57 6.09 -1.93 0.24 117.51 128.38 3d79 h ILE 72 Ca 0.33 -0.35 -0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3d79 h ILE 72 Cb -0.10 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 37.28 3d79 h ILE 72 CO -0.08 0.18 0.29 0.00 -3.07 0.00 0.00 178.15 175.47 3d79 h ALA 73 N 1.26 0.59 -0.21 0.18 0.00 -1.69 -1.10 119.26 118.29 3d79 h ALA 73 Ca 0.27 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3d79 h ALA 73 Cb -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3d79 h ALA 73 CO -0.06 0.07 -0.28 -0.07 0.00 0.00 0.00 179.25 178.91 3d79 h LEU 74 N 0.62 0.40 -0.16 0.00 3.38 -1.01 -2.06 115.31 116.48 3d79 h LEU 74 Ca 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3d79 h LEU 74 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3d79 h LEU 74 CO -0.03 0.68 0.08 0.22 0.09 0.00 0.00 178.44 179.47 3d79 h TYR 75 N 0.35 0.23 -0.82 1.13 3.20 0.04 0.29 116.97 121.39 3d79 h TYR 75 Ca 0.05 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3d79 h TYR 75 Cb 0.68 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 3d79 h TYR 75 CO 0.02 0.26 0.42 -0.91 -1.64 0.00 0.00 178.16 176.31 3d79 h ASN 76 N 0.13 1.04 0.09 -2.11 2.35 -1.14 -2.21 115.58 113.74 3d79 h ASN 76 Ca 0.05 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3d79 h ASN 76 Cb 0.12 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3d79 h ASN 76 CO -0.01 0.86 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.41 3d79 h LEU 77 N 1.15 0.13 -0.16 1.61 3.38 -1.06 -2.56 115.31 117.80 3d79 h LEU 77 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3d79 h LEU 77 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3d79 h LEU 77 CO -0.04 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3d79 n SER 78 N -4.29 0.15 -0.16 -0.43 3.41 0.06 -0.76 113.62 111.60 3d79 n SER 78 Ca -0.01 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3d79 n SER 78 Cb 0.26 -0.57 0.38 0.00 -0.26 0.00 0.00 64.21 64.02 3d79 n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d79 n ASP 79 N -1.66 0.81 -0.07 4.04 8.00 -0.96 -4.35 116.55 122.35 3d79 n ASP 79 Ca 0.03 -0.66 -0.09 0.00 0.71 0.00 0.00 54.79 54.78 3d79 n ASP 79 Cb 0.17 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 3d79 n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d79 n GLU 80 N -0.92 0.33 -4.23 -1.24 1.02 0.05 -5.07 120.64 110.59 3d79 n GLU 80 Ca 0.11 0.08 -0.17 0.00 -0.02 0.00 0.00 57.16 57.16 3d79 n GLU 80 Cb 0.34 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 30.38 3d79 n GLU 80 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3d79 s GLU 81 N -2.27 0.98 -0.64 3.49 0.41 0.06 -5.10 118.70 115.64 3d79 s GLU 81 Ca -0.18 -1.25 -0.25 0.00 -0.41 0.00 0.00 54.97 52.89 3d79 s GLU 81 Cb 0.05 -0.78 0.05 0.00 -1.78 0.00 0.00 34.13 31.67 3d79 s GLU 81 CO 0.31 0.14 1.06 0.34 -0.49 0.00 0.00 175.26 176.61 3d79 s ASP 82 N -2.54 6.25 0.18 -0.19 -1.08 -1.26 -4.28 116.67 113.74 3d79 s ASP 82 Ca 0.09 -0.54 0.19 0.00 -0.52 0.00 0.00 52.55 51.77 3d79 s ASP 82 Cb -0.03 -2.47 0.84 0.00 -1.46 0.00 0.00 42.92 39.79 3d79 s ASP 82 CO 0.02 -1.47 1.59 0.18 0.52 0.00 0.00 175.17 176.00 3d79 n LEU 83 N 8.11 0.43 0.00 -1.34 4.77 -1.26 -2.31 117.00 125.40 3d79 n LEU 83 Ca 0.01 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 56.66 3d79 n LEU 83 Cb 0.47 -0.59 0.21 0.00 -2.33 0.00 0.00 43.42 41.19 3d79 n LEU 83 CO 0.66 -0.53 0.61 0.54 -1.33 0.00 0.00 177.39 177.34 3d79 n ARG 84 N -2.00 0.07 -0.02 3.23 1.74 -1.26 -2.08 116.66 116.35 3d79 n ARG 84 Ca 0.02 0.26 0.03 0.00 -0.77 0.00 0.00 57.85 57.39 3d79 n ARG 84 Cb 0.17 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.15 3d79 n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3d79 n LYS 85 N -1.38 2.49 -2.63 5.56 4.76 -0.98 -5.03 118.16 120.95 3d79 n LYS 85 Ca 0.03 -1.79 -0.29 0.00 -2.87 0.00 0.00 58.31 53.39 3d79 n LYS 85 Cb 0.09 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 3d79 n LYS 85 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3d79 s TRP 86 N -1.51 3.52 0.65 2.13 0.52 -0.88 -5.06 118.94 118.31 3d79 s TRP 86 Ca 0.09 1.01 -0.17 0.00 0.02 0.00 0.00 56.10 57.05 3d79 s TRP 86 Cb 0.08 -2.44 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 3d79 s TRP 86 CO 0.01 -0.25 1.21 -2.14 0.02 0.00 0.00 176.95 175.79 3d79 s PRO 87 N -4.35 2.66 -1.01 4.98 0.02 -1.26 -3.21 135.00 132.83 3d79 s PRO 87 Ca 0.51 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3d79 s PRO 87 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3d79 s PRO 87 CO 0.39 -1.44 0.00 0.54 -0.33 0.00 0.00 177.00 176.16 3d79 n ARG 88 N -2.05 -1.17 -2.76 5.54 5.12 -1.26 -4.92 116.66 115.17 3d79 n ARG 88 Ca 0.13 0.78 -0.37 0.00 -1.93 0.00 0.00 57.85 56.47 3d79 n ARG 88 Cb 0.50 -4.89 -0.06 0.00 -1.16 0.00 0.00 32.46 26.85 3d79 n ARG 88 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3d79 s ARG 89 N -2.60 4.55 -0.19 5.56 1.70 -1.20 -1.34 118.95 125.44 3d79 s ARG 89 Ca 0.00 1.34 -0.00 0.00 -0.47 0.00 0.00 55.73 56.60 3d79 s ARG 89 Cb 0.00 -2.77 0.05 0.00 -0.57 0.00 0.00 34.95 31.65 3d79 s ARG 89 CO 0.00 0.24 -0.06 0.08 -1.08 0.00 0.00 175.30 174.48 3d79 s VAL 90 N -1.63 1.31 -0.22 4.99 1.01 0.37 -1.58 120.40 124.66 3d79 s VAL 90 Ca 0.51 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 3d79 s VAL 90 Cb -0.19 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3d79 s VAL 90 CO 0.24 0.09 0.12 -0.69 0.00 0.00 0.00 175.10 174.86 3d79 s VAL 91 N 1.54 5.12 0.20 2.92 1.01 0.82 -0.63 120.40 131.37 3d79 s VAL 91 Ca -0.01 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.15 3d79 s VAL 91 Cb -0.16 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3d79 s VAL 91 CO -0.08 0.40 -0.09 0.68 0.00 0.00 0.00 175.10 176.01 3d79 s VAL 92 N 0.77 3.15 0.86 2.92 -7.23 0.12 -0.07 120.40 120.91 3d79 s VAL 92 Ca 0.06 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3d79 s VAL 92 Cb -0.13 -2.58 0.11 0.00 0.56 0.00 0.00 36.38 34.33 3d79 s VAL 92 CO 0.02 -0.17 1.16 1.51 -0.31 0.00 0.00 175.10 177.30 3d79 s ASP 93 N -3.01 4.03 0.43 4.85 1.47 -0.12 -1.65 116.67 122.67 3d79 s ASP 93 Ca 0.26 0.88 0.15 0.00 1.18 0.00 0.00 52.55 55.02 3d79 s ASP 93 Cb -0.08 -1.42 0.96 0.00 -0.34 0.00 0.00 42.92 42.04 3d79 s ASP 93 CO 0.16 -2.21 1.96 1.05 0.68 0.00 0.00 175.17 176.80 3d79 h GLU 94 N -1.27 0.00 0.00 2.11 4.11 -1.99 -2.41 114.58 115.13 3d79 h GLU 94 Ca -0.48 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 3d79 h GLU 94 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3d79 h GLU 94 CO 0.64 0.22 -0.21 0.78 0.07 0.00 0.00 179.01 180.52 3d79 h GLY 95 N 0.70 0.00 2.00 1.06 0.00 -1.95 -2.81 103.07 102.07 3d79 h GLY 95 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3d79 h GLY 95 CO 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.34 3d79 h ALA 96 N 1.79 0.89 0.51 3.60 0.00 -1.76 -3.40 119.26 120.89 3d79 h ALA 96 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3d79 h ALA 96 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3d79 h ALA 96 CO 0.03 0.29 -0.28 0.28 0.00 0.00 0.00 179.25 179.56 3d79 h VAL 97 N 0.00 0.42 -0.28 0.00 2.07 -1.55 -2.62 116.25 114.28 3d79 h VAL 97 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3d79 h VAL 97 Cb 1.03 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3d79 h VAL 97 CO 0.03 0.00 0.07 1.55 0.02 0.00 0.00 177.57 179.24 3d79 h PRO 98 N -0.74 0.40 -0.12 1.57 0.13 -1.77 -1.29 132.00 130.18 3d79 h PRO 98 Ca -0.06 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3d79 h PRO 98 Cb 0.59 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3d79 h PRO 98 CO 0.08 0.38 0.05 0.45 -0.23 0.00 0.00 178.00 178.73 3d79 h HIS 99 N 0.40 0.19 -0.74 1.56 3.86 -1.79 -2.45 115.15 116.18 3d79 h HIS 99 Ca 0.10 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3d79 h HIS 99 Cb 0.16 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 3d79 h HIS 99 CO 0.00 0.27 0.31 0.82 0.86 0.00 0.00 177.93 180.20 3d79 h ILE 100 N 0.04 1.25 0.00 2.45 2.04 -1.05 -1.63 117.51 120.61 3d79 h ILE 100 Ca 0.04 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3d79 h ILE 100 Cb 0.17 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3d79 h ILE 100 CO -0.00 0.31 0.00 -0.07 0.00 0.00 0.00 178.15 178.39 3d79 h LEU 101 N 1.06 0.00 -2.05 1.44 3.38 -1.19 -2.21 115.31 115.74 3d79 h LEU 101 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3d79 h LEU 101 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3d79 h LEU 101 CO -0.02 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.31 3d79 n ASN 102 N -2.33 3.06 0.00 -0.43 4.05 -0.74 -4.83 115.26 114.04 3d79 n ASN 102 Ca 0.02 -1.94 0.00 0.00 0.45 0.00 0.00 54.58 53.11 3d79 n ASN 102 Cb 0.22 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 40.99 3d79 n ASN 102 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3d79 n GLY 103 N 1.42 0.88 3.80 8.20 0.00 -0.83 -5.07 105.19 113.60 3d79 n GLY 103 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3d79 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d79 s ALA 104 N -2.00 2.99 0.83 4.61 0.00 -0.69 -5.00 121.76 122.50 3d79 s ALA 104 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 3d79 s ALA 104 Cb 0.00 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 20.01 3d79 s ALA 104 CO 0.00 -0.07 1.11 -0.51 0.00 0.00 0.00 175.76 176.29 3d79 s ASP 105 N -2.00 4.22 -0.18 0.00 1.01 -1.26 -4.39 116.67 114.07 3d79 s ASP 105 Ca 0.63 1.17 -0.24 0.00 0.71 0.00 0.00 52.55 54.82 3d79 s ASP 105 Cb -0.14 -1.84 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 3d79 s ASP 105 CO 0.18 -2.13 0.75 -0.69 0.21 0.00 0.00 175.17 173.49 3d79 s VAL 106 N -3.22 4.94 -0.07 -1.27 1.01 -0.81 -4.84 120.40 116.14 3d79 s VAL 106 Ca 0.62 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 63.98 3d79 s VAL 106 Cb -0.14 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3d79 s VAL 106 CO 0.54 0.06 0.20 -0.04 0.00 0.00 0.00 175.10 175.86 3d79 s MET 107 N 2.03 3.53 0.31 2.72 -1.94 -1.26 -0.22 119.30 124.46 3d79 s MET 107 Ca 0.35 -0.08 0.06 0.00 -1.71 0.00 0.00 55.69 54.31 3d79 s MET 107 Cb -0.16 -3.16 0.74 0.00 2.01 0.00 0.00 34.83 34.26 3d79 s MET 107 CO 0.12 0.73 1.79 0.00 -0.01 0.00 0.00 175.02 177.64 3d79 h ALA 108 N 4.61 1.69 -0.03 3.03 0.00 -1.13 -2.09 119.26 125.34 3d79 h ALA 108 Ca -0.53 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3d79 h ALA 108 Cb 1.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3d79 h ALA 108 CO 0.61 -0.04 0.08 -1.00 0.00 0.00 0.00 179.25 178.89 3d79 h PRO 109 N 0.77 0.00 -0.02 0.00 0.13 -1.76 -2.36 132.00 128.76 3d79 h PRO 109 Ca 0.57 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.70 3d79 h PRO 109 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3d79 h PRO 109 CO -0.36 0.00 -0.09 0.41 -0.23 0.00 0.00 178.00 177.73 3d79 n GLY 110 N -1.20 0.12 3.66 1.56 0.00 -0.79 -4.89 105.19 103.64 3d79 n GLY 110 Ca -0.02 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3d79 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d79 s ILE 111 N -2.14 5.02 -0.04 -0.61 1.01 -0.89 -0.95 121.20 122.60 3d79 s ILE 111 Ca 0.31 1.17 0.21 0.00 0.00 0.00 0.00 60.65 62.35 3d79 s ILE 111 Cb 0.20 -3.94 -0.33 0.00 0.01 0.00 0.00 42.46 38.40 3d79 s ILE 111 CO 0.38 0.10 0.47 1.33 0.00 0.00 0.00 174.94 177.22 3d79 n VAL 112 N 4.76 0.00 -3.49 2.92 0.24 0.90 -4.92 118.33 118.73 3d79 n VAL 112 Ca -0.01 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 3d79 n VAL 112 Cb 0.50 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 3d79 n VAL 112 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3d79 s ASP 113 N -4.44 -0.47 -0.01 -1.34 2.15 -1.12 -5.01 116.67 106.43 3d79 s ASP 113 Ca -0.08 0.18 -0.23 0.00 0.43 0.00 0.00 52.55 52.85 3d79 s ASP 113 Cb 0.14 0.46 0.05 0.00 -0.30 0.00 0.00 42.92 43.27 3d79 s ASP 113 CO 0.88 -0.68 0.52 0.00 -0.17 0.00 0.00 175.17 175.72 3d79 s ALA 114 N -2.70 -1.33 -0.10 3.66 0.00 -1.26 -0.13 121.76 119.90 3d79 s ALA 114 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 3d79 s ALA 114 Cb -0.01 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 3d79 s ALA 114 CO -0.06 -0.37 1.73 0.34 0.00 0.00 0.00 175.76 177.40 3d79 s ASP 115 N -1.46 6.46 0.25 0.00 2.15 -0.61 -4.87 116.67 118.60 3d79 s ASP 115 Ca -0.10 2.11 0.20 0.00 0.43 0.00 0.00 52.55 55.19 3d79 s ASP 115 Cb -0.02 -2.53 0.98 0.00 -0.30 0.00 0.00 42.92 41.05 3d79 s ASP 115 CO 0.05 -1.12 1.62 -0.62 -0.17 0.00 0.00 175.17 174.93 3d79 n GLU 116 N 7.46 0.14 0.17 4.34 1.02 -1.26 -1.55 120.64 130.96 3d79 n GLU 116 Ca 0.19 0.53 0.13 0.00 -0.02 0.00 0.00 57.16 57.99 3d79 n GLU 116 Cb 0.43 -1.87 0.48 0.00 -0.02 0.00 0.00 31.44 30.47 3d79 n GLU 116 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3d79 h GLY 117 N 0.97 0.00 -4.57 0.62 0.00 -1.95 -3.39 103.07 94.75 3d79 h GLY 117 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3d79 h GLY 117 CO 0.00 0.00 0.86 -0.42 0.00 0.00 0.00 176.54 176.98 3d79 s ILE 118 N -3.33 2.65 0.19 2.60 1.01 -0.59 -4.92 121.20 118.81 3d79 s ILE 118 Ca 0.05 0.47 0.09 0.00 0.00 0.00 0.00 60.65 61.26 3d79 s ILE 118 Cb 0.09 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3d79 s ILE 118 CO 0.50 0.04 -0.07 -0.54 0.00 0.00 0.00 174.94 174.87 3d79 s LYS 119 N 0.99 2.14 0.16 2.79 1.02 -1.26 -0.92 119.74 124.67 3d79 s LYS 119 Ca 0.69 -1.25 -0.33 0.00 0.02 0.00 0.00 55.97 55.09 3d79 s LYS 119 Cb -0.43 -2.19 -0.15 0.00 -0.52 0.00 0.00 37.83 34.53 3d79 s LYS 119 CO 0.32 0.43 1.25 0.39 -0.92 0.00 0.00 175.35 176.82 3d79 n GLU 120 N -0.08 1.33 0.00 1.68 1.02 -1.25 -1.48 120.64 121.86 3d79 n GLU 120 Ca -0.10 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 3d79 n GLU 120 Cb 0.56 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 3d79 n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d79 n GLY 121 N 2.19 2.90 3.77 0.62 0.00 0.23 -4.99 105.19 109.91 3d79 n GLY 121 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3d79 n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d79 s ASP 122 N -1.22 6.45 0.27 1.61 1.01 -0.55 -4.64 116.67 119.60 3d79 s ASP 122 Ca 0.00 2.59 -0.30 0.00 0.71 0.00 0.00 52.55 55.55 3d79 s ASP 122 Cb 0.00 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 3d79 s ASP 122 CO 0.00 -0.75 1.37 -0.36 0.21 0.00 0.00 175.17 175.65 3d79 s PHE 123 N -1.27 3.06 0.11 4.23 0.08 -1.26 -0.55 117.98 122.38 3d79 s PHE 123 Ca 0.55 1.19 0.01 0.00 0.12 0.00 0.00 56.93 58.80 3d79 s PHE 123 Cb -0.37 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.30 3d79 s PHE 123 CO 0.47 -2.27 -0.03 0.14 -0.10 0.00 0.00 175.22 173.43 3d79 s VAL 124 N -0.38 0.55 0.23 -0.44 -7.23 0.80 -4.89 120.40 109.04 3d79 s VAL 124 Ca 0.55 -1.92 0.10 0.00 -1.81 0.00 0.00 61.98 58.90 3d79 s VAL 124 Cb -0.40 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3d79 s VAL 124 CO 0.46 -0.78 -0.10 0.72 -0.31 0.00 0.00 175.10 175.09 3d79 s PHE 125 N -3.73 2.57 -0.14 2.82 -0.12 -0.45 -1.15 117.98 117.78 3d79 s PHE 125 Ca 0.14 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.77 3d79 s PHE 125 Cb 0.06 -1.19 -0.01 0.00 -0.63 0.00 0.00 43.02 41.25 3d79 s PHE 125 CO -0.03 0.58 -0.14 0.08 -0.05 0.00 0.00 175.22 175.65 3d79 s VAL 126 N -2.03 2.84 0.06 -2.49 1.01 0.39 -0.48 120.40 119.70 3d79 s VAL 126 Ca 0.27 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3d79 s VAL 126 Cb -0.07 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3d79 s VAL 126 CO 0.16 0.52 -0.14 0.68 0.00 0.00 0.00 175.10 176.32 3d79 s VAL 127 N 0.60 1.09 0.21 2.92 -7.23 0.19 -0.16 120.40 118.02 3d79 s VAL 127 Ca -0.08 -1.20 -0.13 0.00 -1.81 0.00 0.00 61.98 58.75 3d79 s VAL 127 Cb -0.16 -1.03 -0.07 0.00 0.56 0.00 0.00 36.38 35.68 3d79 s VAL 127 CO 0.03 -0.16 0.60 -1.83 -0.31 0.00 0.00 175.10 173.42 3d79 s GLU 128 N -1.55 3.94 0.15 4.82 4.04 -0.86 -0.70 118.70 128.54 3d79 s GLU 128 Ca -0.01 0.48 0.21 0.00 0.04 0.00 0.00 54.97 55.69 3d79 s GLU 128 Cb -0.09 -2.74 0.87 0.00 0.02 0.00 0.00 34.13 32.18 3d79 s GLU 128 CO 0.02 0.36 1.66 -0.85 -1.84 0.00 0.00 175.26 174.61 3d79 n GLU 129 N 0.27 0.12 0.00 -4.83 0.28 -0.66 -1.88 120.64 113.95 3d79 n GLU 129 Ca -0.02 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 3d79 n GLU 129 Cb 0.52 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.68 3d79 n GLU 129 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3d79 n LYS 130 N -1.94 0.00 0.00 3.44 4.81 -1.26 -4.50 118.16 118.71 3d79 n LYS 130 Ca 0.03 0.25 0.14 0.00 -0.87 0.00 0.00 58.31 57.86 3d79 n LYS 130 Cb 0.24 -0.71 0.52 0.00 0.02 0.00 0.00 35.03 35.11 3d79 n LYS 130 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d79 n TYR 131 N -1.51 0.00 -2.92 5.64 4.01 -1.26 -4.92 117.16 116.20 3d79 n TYR 131 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3d79 n TYR 131 Cb 0.00 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3d79 n TYR 131 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d79 n GLY 132 N 1.25 -0.52 3.73 2.72 0.00 -0.79 -4.93 105.19 106.66 3d79 n GLY 132 Ca 0.15 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 3d79 n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d79 s ARG 133 N -5.59 4.60 0.30 1.61 1.81 -1.25 -4.54 118.95 115.88 3d79 s ARG 133 Ca 0.25 1.61 -0.28 0.00 -1.72 0.00 0.00 55.73 55.58 3d79 s ARG 133 Cb -0.11 -3.34 -0.09 0.00 -0.45 0.00 0.00 34.95 30.95 3d79 s ARG 133 CO 0.31 0.06 1.03 -1.25 -0.68 0.00 0.00 175.30 174.77 3d79 s PRO 134 N 0.12 4.60 -0.11 3.54 0.04 -1.26 -2.04 135.00 139.89 3d79 s PRO 134 Ca 0.50 1.61 0.10 0.00 0.04 0.00 0.00 61.00 63.25 3d79 s PRO 134 Cb -0.26 -3.04 -0.14 0.00 0.04 0.00 0.00 34.50 31.10 3d79 s PRO 134 CO 0.32 0.23 0.04 1.28 0.04 0.00 0.00 177.00 178.90 3d79 n LEU 135 N 0.94 0.00 -3.61 -3.56 4.77 0.77 -4.83 117.00 111.48 3d79 n LEU 135 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 3d79 n LEU 135 Cb 0.47 0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 3d79 n LEU 135 CO 0.50 0.27 0.75 0.00 -1.33 0.00 0.00 177.39 177.58 3d79 s ALA 136 N -2.27 -1.81 0.15 -1.18 0.00 -1.20 -0.33 121.76 115.12 3d79 s ALA 136 Ca -0.05 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.67 3d79 s ALA 136 Cb 0.03 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 3d79 s ALA 136 CO 0.45 -0.84 -0.14 0.96 0.00 0.00 0.00 175.76 176.19 3d79 s ILE 137 N -3.09 1.47 0.00 0.00 -4.36 0.34 -0.46 121.20 115.11 3d79 s ILE 137 Ca 0.09 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 3d79 s ILE 137 Cb -0.01 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.94 3d79 s ILE 137 CO -0.04 -0.51 0.00 0.61 0.24 0.00 0.00 174.94 175.24 3d79 n GLY 138 N 0.13 0.87 3.37 6.27 0.00 -0.30 -1.19 105.19 114.33 3d79 n GLY 138 Ca -0.12 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 3d79 n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d79 s ILE 139 N -2.17 3.19 0.15 -0.61 1.01 -0.01 -0.14 121.20 122.62 3d79 s ILE 139 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.73 3d79 s ILE 139 Cb 0.00 -2.36 -0.09 0.00 0.01 0.00 0.00 42.46 40.01 3d79 s ILE 139 CO 0.00 0.51 1.51 0.00 0.00 0.00 0.00 174.94 176.95 3d79 s ALA 140 N 0.54 3.71 -1.84 9.38 0.00 0.28 -0.88 121.76 132.96 3d79 s ALA 140 Ca -0.07 1.29 0.19 0.00 0.00 0.00 0.00 51.96 53.37 3d79 s ALA 140 Cb -0.15 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.40 3d79 s ALA 140 CO 0.04 -0.73 0.97 1.28 0.00 0.00 0.00 175.76 177.32 3d79 n LEU 141 N 3.87 1.96 -4.11 0.00 4.77 0.59 -0.60 117.00 123.48 3d79 n LEU 141 Ca 0.13 -0.82 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 3d79 n LEU 141 Cb 0.40 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3d79 n LEU 141 CO 0.60 0.36 -0.37 -0.04 -1.33 0.00 0.00 177.39 176.61 3d79 s MET 142 N -1.99 0.65 0.83 3.23 -1.94 -1.23 -4.92 119.30 113.94 3d79 s MET 142 Ca 0.17 -1.16 -0.11 0.00 -1.71 0.00 0.00 55.69 52.89 3d79 s MET 142 Cb 0.15 -0.00 0.09 0.00 2.01 0.00 0.00 34.83 37.08 3d79 s MET 142 CO 0.41 -0.05 1.10 -1.54 -0.01 0.00 0.00 175.02 174.93 3d79 s SER 143 N -2.69 3.96 0.23 3.03 1.04 -1.26 -3.95 113.70 114.06 3d79 s SER 143 Ca 0.05 1.86 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 3d79 s SER 143 Cb 0.03 -2.48 0.29 0.00 0.10 0.00 0.00 66.02 63.96 3d79 s SER 143 CO -0.06 -2.39 1.84 1.23 0.98 0.00 0.00 173.24 174.84 3d79 h GLY 144 N -1.37 1.16 0.92 7.32 0.00 -1.18 -0.26 103.07 109.66 3d79 h GLY 144 Ca -0.44 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 46.57 3d79 h GLY 144 CO 0.50 0.23 0.28 0.50 0.00 0.00 0.00 176.54 178.04 3d79 h LYS 145 N 0.86 0.55 -0.48 4.80 1.57 -1.80 -2.39 116.57 119.68 3d79 h LYS 145 Ca 0.34 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 3d79 h LYS 145 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3d79 h LYS 145 CO -0.17 0.36 -0.08 0.28 -0.57 0.00 0.00 179.45 179.27 3d79 h VAL 146 N 0.57 1.26 -0.87 0.50 2.07 -1.81 -2.22 116.25 115.75 3d79 h VAL 146 Ca 0.18 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.62 3d79 h VAL 146 Cb -0.01 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3d79 h VAL 146 CO -0.07 0.40 0.56 0.24 0.02 0.00 0.00 177.57 178.73 3d79 h MET 147 N 0.78 0.88 0.00 1.57 2.86 -0.77 -0.28 114.93 119.97 3d79 h MET 147 Ca 0.13 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 3d79 h MET 147 Cb 0.58 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3d79 h MET 147 CO 0.04 0.59 -0.71 0.87 1.06 0.00 0.00 176.91 178.75 3d79 h LYS 148 N 0.91 0.00 0.16 1.72 1.57 -1.01 -3.35 116.57 116.57 3d79 h LYS 148 Ca 0.39 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.83 3d79 h LYS 148 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3d79 h LYS 148 CO -0.15 0.71 -1.72 1.49 -0.57 0.00 0.00 179.45 179.20 3d79 h GLU 149 N 0.00 0.33 -6.22 3.15 4.57 -0.82 -3.47 114.58 112.11 3d79 h GLU 149 Ca -0.01 -0.56 -0.58 0.00 -1.18 0.00 0.00 59.36 57.03 3d79 h GLU 149 Cb 1.36 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 30.12 3d79 h GLU 149 CO 0.09 1.22 -0.08 0.15 -1.18 0.00 0.00 179.01 179.22 3d79 s LYS 150 N -2.59 4.10 -0.04 1.92 1.02 -0.17 -4.97 119.74 119.01 3d79 s LYS 150 Ca -0.14 0.62 0.12 0.00 0.02 0.00 0.00 55.97 56.59 3d79 s LYS 150 Cb 0.06 -3.16 0.37 0.00 -0.52 0.00 0.00 37.83 34.58 3d79 s LYS 150 CO 0.84 0.61 1.31 0.27 -0.92 0.00 0.00 175.35 177.46 3d79 n ASN 151 N 1.50 3.20 -3.97 2.83 6.94 -1.26 -4.45 115.26 120.05 3d79 n ASN 151 Ca -0.10 -2.20 -0.09 0.00 -0.02 0.00 0.00 54.58 52.17 3d79 n ASN 151 Cb 0.51 -0.31 -0.11 0.00 -2.36 0.00 0.00 39.78 37.51 3d79 n ASN 151 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3d79 s ARG 152 N -1.36 0.31 0.00 -3.83 0.52 -1.26 -3.16 118.95 110.16 3d79 s ARG 152 Ca 0.28 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 3d79 s ARG 152 Cb 0.17 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.75 3d79 s ARG 152 CO 0.15 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.83 3d79 n GLY 153 N 1.64 2.62 3.71 -3.53 0.00 -1.26 -4.70 105.19 103.67 3d79 n GLY 153 Ca -0.24 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3d79 n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d79 s LYS 154 N -3.48 4.53 -0.21 1.61 2.20 -1.26 -0.59 119.74 122.54 3d79 s LYS 154 Ca 0.00 1.54 0.05 0.00 -0.36 0.00 0.00 55.97 57.20 3d79 s LYS 154 Cb 0.00 -3.41 -0.16 0.00 -1.51 0.00 0.00 37.83 32.75 3d79 s LYS 154 CO 0.00 -0.09 -0.15 0.00 -0.36 0.00 0.00 175.35 174.75 3d79 n ALA 155 N 3.77 1.53 -3.72 3.13 0.00 0.70 -4.62 120.51 121.30 3d79 n ALA 155 Ca 0.07 -1.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.33 3d79 n ALA 155 Cb 0.49 -0.04 -0.17 0.00 0.00 0.00 0.00 19.45 19.74 3d79 n ALA 155 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3d79 s VAL 156 N -2.44 0.12 -0.52 0.00 1.01 -0.95 -0.30 120.40 117.32 3d79 s VAL 156 Ca -0.26 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 3d79 s VAL 156 Cb 0.07 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.22 3d79 s VAL 156 CO 0.56 0.16 1.04 -0.75 0.00 0.00 0.00 175.10 176.10 3d79 s LYS 157 N 1.38 3.51 0.17 2.72 2.47 -0.06 -1.93 119.74 127.99 3d79 s LYS 157 Ca -0.05 0.14 -0.30 0.00 -1.56 0.00 0.00 55.97 54.20 3d79 s LYS 157 Cb -0.13 -3.98 -0.08 0.00 -1.46 0.00 0.00 37.83 32.18 3d79 s LYS 157 CO -0.03 -1.44 1.16 0.08 0.16 0.00 0.00 175.35 175.29 3d79 s VAL 158 N 4.24 3.74 -0.16 4.02 1.01 -1.26 -0.83 120.40 131.17 3d79 s VAL 158 Ca 0.39 1.44 0.05 0.00 0.00 0.00 0.00 61.98 63.86 3d79 s VAL 158 Cb -0.09 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 3d79 s VAL 158 CO 0.25 0.22 0.17 2.30 0.00 0.00 0.00 175.10 178.05 3d79 n ILE 159 N 2.64 0.00 -3.64 2.22 -5.35 -0.33 -4.95 119.36 109.95 3d79 n ILE 159 Ca 0.04 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.17 3d79 n ILE 159 Cb 0.45 0.80 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 3d79 n ILE 159 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3d79 s HIS 160 N -1.75 -0.83 0.08 4.28 5.04 -1.16 -5.02 115.29 115.93 3d79 s HIS 160 Ca 0.01 1.69 0.02 0.00 -1.54 0.00 0.00 55.06 55.23 3d79 s HIS 160 Cb 0.03 0.49 -0.04 0.00 0.04 0.00 0.00 32.58 33.11 3d79 s HIS 160 CO 0.20 -0.41 -0.06 -3.38 -2.34 0.00 0.00 174.74 168.74 3d79 s HIS 161 N 1.42 0.78 0.41 3.88 -3.43 -1.26 -0.50 115.29 116.59 3d79 s HIS 161 Ca -0.09 -0.81 -0.26 0.00 -0.80 0.00 0.00 55.06 53.10 3d79 s HIS 161 Cb -0.04 -0.47 -0.10 0.00 -1.43 0.00 0.00 32.58 30.54 3d79 s HIS 161 CO -0.17 -0.16 1.32 0.00 -2.00 0.00 0.00 174.74 173.73 3d79 n ALA 162 N 0.40 1.50 -0.37 -1.38 0.00 0.55 -1.96 120.51 119.25 3d79 n ALA 162 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3d79 n ALA 162 Cb 0.59 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3d79 n ALA 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d79 n ARG 163 N 0.09 0.00 -1.40 0.00 1.74 -1.26 -4.80 116.66 111.03 3d79 n ARG 163 Ca 0.06 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.93 3d79 n ARG 163 Cb 0.39 -1.65 0.14 0.00 -1.02 0.00 0.00 32.46 30.33 3d79 n ARG 163 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3d79 n ASP 164 N 0.00 0.13 0.08 0.55 5.68 -0.83 -4.84 116.55 117.32 3d79 n ASP 164 Ca 0.00 -1.37 -0.04 0.00 -0.50 0.00 0.00 54.79 52.88 3d79 n ASP 164 Cb 0.00 -0.71 0.16 0.00 -1.14 0.00 0.00 41.12 39.43 3d79 n ASP 164 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3d79 h LYS 165 N 0.00 0.27 -0.44 0.11 1.79 -1.97 -1.60 116.57 114.73 3d79 h LYS 165 Ca -0.30 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 3d79 h LYS 165 Cb 0.85 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.49 3d79 h LYS 165 CO 0.22 0.71 0.19 0.82 -1.08 0.00 0.00 179.45 180.31 3d79 h ILE 166 N 0.22 1.20 -0.50 1.86 2.04 -1.94 -2.83 117.51 117.56 3d79 h ILE 166 Ca 0.01 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.33 3d79 h ILE 166 Cb 0.96 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3d79 h ILE 166 CO 0.08 0.22 0.21 -0.25 0.00 0.00 0.00 178.15 178.41 3d79 h TRP 167 N 0.58 0.38 -0.89 1.37 2.91 -1.74 -1.72 115.95 116.83 3d79 h TRP 167 Ca 0.15 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.30 3d79 h TRP 167 Cb 0.17 -0.10 -0.08 0.00 -0.51 0.00 0.00 29.16 28.65 3d79 h TRP 167 CO -0.00 0.15 0.52 0.93 -1.03 0.00 0.00 178.44 179.02 3d79 h GLU 168 N 0.41 0.81 -0.01 2.65 5.08 -1.06 -0.22 114.58 122.25 3d79 h GLU 168 Ca 0.23 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3d79 h GLU 168 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3d79 h GLU 168 CO -0.21 0.54 -0.42 1.33 -1.00 0.00 0.00 179.01 179.25 3d79 n VAL 169 N -4.72 0.00 -0.00 3.13 0.24 -1.03 -4.29 118.33 111.66 3d79 n VAL 169 Ca 0.16 -0.10 0.03 0.00 -2.04 0.00 0.00 64.34 62.39 3d79 n VAL 169 Cb 0.33 0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 33.20 3d79 n VAL 169 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3d79 n THR 170 N -0.85 0.02 1.83 3.34 -2.24 -0.67 -5.10 114.28 110.60 3d79 n THR 170 Ca 0.09 -0.15 0.15 0.00 -2.27 0.00 0.00 64.05 61.88 3d79 n THR 170 Cb 0.36 0.31 0.81 0.00 -2.10 0.00 0.00 70.33 69.71 3d79 n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50