#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py2 s PRO 5 N 0.00 3.82 0.00 0.00 0.04 -1.26 -4.87 135.00 132.73 2py2 s PRO 5 Ca 0.00 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2py2 s PRO 5 Cb 0.00 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2py2 s PRO 5 CO 0.00 -0.45 0.00 2.41 0.04 0.00 0.00 177.00 179.00 2py2 n THR 6 N -0.62 0.00 1.77 1.26 -1.04 -1.26 -0.18 114.28 114.21 2py2 n THR 6 Ca 0.08 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.20 2py2 n THR 6 Cb 0.50 0.00 0.58 0.00 -1.82 0.00 0.00 70.33 69.59 2py2 n THR 6 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2py2 n ASP 7 N -0.01 0.53 -4.85 8.00 8.00 -1.26 -4.90 116.55 122.06 2py2 n ASP 7 Ca 0.00 -1.42 -0.33 0.00 0.71 0.00 0.00 54.79 53.75 2py2 n ASP 7 Cb 0.00 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 2py2 n ASP 7 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2py2 s TRP 8 N -1.95 3.45 -0.13 1.24 0.52 0.75 -4.88 118.94 117.94 2py2 s TRP 8 Ca 0.34 1.16 -0.01 0.00 0.02 0.00 0.00 56.10 57.60 2py2 s TRP 8 Cb 0.16 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.99 2py2 s TRP 8 CO 0.27 0.21 -0.09 0.15 0.02 0.00 0.00 176.95 177.50 2py2 s LYS 9 N -2.67 3.41 0.11 4.98 -0.14 0.21 -4.71 119.74 120.94 2py2 s LYS 9 Ca 0.49 -0.62 -0.23 0.00 -1.36 0.00 0.00 55.97 54.25 2py2 s LYS 9 Cb -0.12 -2.72 -0.07 0.00 -1.68 0.00 0.00 37.83 33.24 2py2 s LYS 9 CO 0.19 0.27 0.71 1.41 -0.76 0.00 0.00 175.35 177.17 2py2 s MET 10 N 0.23 4.45 -0.27 1.68 -2.45 -1.26 -0.16 119.30 121.51 2py2 s MET 10 Ca -0.06 1.01 -0.10 0.00 -1.25 0.00 0.00 55.69 55.28 2py2 s MET 10 Cb -0.15 -3.28 0.11 0.00 1.25 0.00 0.00 34.83 32.77 2py2 s MET 10 CO 0.04 0.54 0.60 0.12 1.05 0.00 0.00 175.02 177.37 2py2 s PHE 11 N -0.92 -1.16 -1.45 4.11 5.36 -0.23 -4.98 117.98 118.71 2py2 s PHE 11 Ca 0.34 2.10 -0.04 0.00 -0.96 0.00 0.00 56.93 58.37 2py2 s PHE 11 Cb -0.21 0.66 0.03 0.00 -0.34 0.00 0.00 43.02 43.15 2py2 s PHE 11 CO 0.23 -0.59 0.57 -1.71 -1.46 0.00 0.00 175.22 172.26 2py2 n ASN 12 N 5.20 -1.32 0.00 6.13 2.85 -1.26 -1.79 115.26 125.07 2py2 n ASN 12 Ca -0.13 -0.96 0.00 0.00 -0.11 0.00 0.00 54.58 53.38 2py2 n ASN 12 Cb 0.51 -3.25 0.00 0.00 1.24 0.00 0.00 39.78 38.28 2py2 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2py2 n GLY 13 N -1.81 0.57 3.30 8.20 0.00 -1.26 -5.02 105.19 109.17 2py2 n GLY 13 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 2py2 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2py2 s ARG 14 N -0.11 1.21 -0.09 1.61 0.52 -0.74 -1.14 118.95 120.20 2py2 s ARG 14 Ca 0.00 -1.55 0.01 0.00 -0.52 0.00 0.00 55.73 53.67 2py2 s ARG 14 Cb 0.00 -0.79 -0.02 0.00 0.52 0.00 0.00 34.95 34.66 2py2 s ARG 14 CO 0.00 0.07 -0.13 0.00 0.02 0.00 0.00 175.30 175.27 2py2 s PHE 16 N -0.19 2.27 -0.12 0.00 0.08 0.77 -1.40 117.98 119.40 2py2 s PHE 16 Ca 0.00 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.61 2py2 s PHE 16 Cb -0.13 -1.14 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 2py2 s PHE 16 CO 0.03 0.47 0.30 -1.17 -0.10 0.00 0.00 175.22 174.75 2py2 s LEU 17 N -2.60 0.54 -0.17 -0.37 2.96 -0.51 -0.62 118.68 117.91 2py2 s LEU 17 Ca 0.20 0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 54.57 2py2 s LEU 17 Cb -0.08 0.97 -0.04 0.00 0.50 0.00 0.00 46.19 47.54 2py2 s LEU 17 CO 0.09 -0.14 0.39 0.12 -1.32 0.00 0.00 176.35 175.49 2py2 s PHE 18 N 0.77 3.43 -0.38 5.38 5.36 -1.26 -0.56 117.98 130.72 2py2 s PHE 18 Ca -0.05 0.68 -0.07 0.00 -0.96 0.00 0.00 56.93 56.52 2py2 s PHE 18 Cb -0.06 -2.48 0.06 0.00 -0.34 0.00 0.00 43.02 40.20 2py2 s PHE 18 CO -0.05 0.10 0.18 1.21 -1.46 0.00 0.00 175.22 175.20 2py2 s ASN 19 N 0.78 5.45 0.50 6.13 2.47 0.72 -4.97 114.94 126.03 2py2 s ASN 19 Ca 0.20 -1.39 0.29 0.00 0.42 0.00 0.00 52.86 52.38 2py2 s ASN 19 Cb -0.14 -1.92 1.18 0.00 -1.45 0.00 0.00 41.25 38.92 2py2 s ASN 19 CO 0.07 -0.44 1.92 1.55 -3.72 0.00 0.00 177.10 176.48 2py2 h PRO 20 N 8.28 0.00 -6.63 0.43 0.13 -1.96 -1.05 132.00 131.20 2py2 h PRO 20 Ca -0.22 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.34 2py2 h PRO 20 Cb 1.08 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.29 2py2 h PRO 20 CO 0.68 0.10 0.74 -0.11 -0.23 0.00 0.00 178.00 179.18 2py2 n LEU 21 N -3.24 3.47 -4.59 1.56 7.94 -1.26 -4.51 117.00 116.37 2py2 n LEU 21 Ca 0.00 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.60 2py2 n LEU 21 Cb 0.35 -1.48 -0.04 0.00 0.53 0.00 0.00 43.42 42.79 2py2 n LEU 21 CO 0.30 -0.25 0.77 -1.10 -1.11 0.00 0.00 177.39 176.00 2py2 s GLN 22 N -0.07 3.77 0.09 1.96 -1.52 -1.26 -4.08 119.66 118.54 2py2 s GLN 22 Ca 0.70 0.48 0.02 0.00 -1.95 0.00 0.00 55.36 54.61 2py2 s GLN 22 Cb -0.61 -3.83 -0.04 0.00 -0.22 0.00 0.00 33.01 28.31 2py2 s GLN 22 CO 0.46 -1.03 -0.07 -0.51 -0.25 0.00 0.00 175.29 173.89 2py2 s LEU 23 N 3.57 2.47 0.79 2.90 1.43 -0.81 -4.70 118.68 124.34 2py2 s LEU 23 Ca 0.38 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2py2 s LEU 23 Cb -0.11 -0.11 0.07 0.00 0.03 0.00 0.00 46.19 46.06 2py2 s LEU 23 CO 0.21 -0.41 1.13 -1.38 0.23 0.00 0.00 176.35 176.12 2py2 s HIS 24 N -3.25 2.95 0.24 0.29 -3.43 -1.26 -1.24 115.29 109.60 2py2 s HIS 24 Ca 0.09 0.96 -0.05 0.00 -0.80 0.00 0.00 55.06 55.26 2py2 s HIS 24 Cb 0.03 -3.26 0.45 0.00 -1.43 0.00 0.00 32.58 28.38 2py2 s HIS 24 CO -0.04 -1.70 1.71 2.35 -2.00 0.00 0.00 174.74 175.07 2py2 h TRP 25 N -1.02 0.42 -0.47 0.38 7.01 -1.26 -0.82 115.95 120.19 2py2 h TRP 25 Ca -0.47 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.52 2py2 h TRP 25 Cb 1.29 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.26 2py2 h TRP 25 CO 0.40 0.01 0.11 0.00 -2.79 0.00 0.00 178.44 176.17 2py2 h ALA 26 N 1.56 0.62 -0.36 2.65 0.00 -1.92 -0.80 119.26 121.02 2py2 h ALA 26 Ca 0.41 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2py2 h ALA 26 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2py2 h ALA 26 CO -0.44 0.32 -0.10 -0.44 0.00 0.00 0.00 179.25 178.59 2py2 h ASP 27 N 0.64 0.61 -0.46 0.00 3.32 -1.77 -0.95 116.42 117.80 2py2 h ASP 27 Ca 0.15 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2py2 h ASP 27 Cb 0.34 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2py2 h ASP 27 CO 0.00 0.75 0.10 0.00 -1.72 0.00 0.00 179.24 178.37 2py2 h ALA 28 N 1.32 0.61 -0.39 3.45 0.00 -0.75 -0.29 119.26 123.21 2py2 h ALA 28 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2py2 h ALA 28 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2py2 h ALA 28 CO 0.03 0.31 0.16 0.37 0.00 0.00 0.00 179.25 180.12 2py2 h GLN 29 N 0.63 0.59 -0.95 0.00 5.75 -0.95 -1.96 115.11 118.21 2py2 h GLN 29 Ca 0.14 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2py2 h GLN 29 Cb 0.34 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.75 2py2 h GLN 29 CO 0.00 0.56 0.61 0.93 -2.65 0.00 0.00 178.83 178.28 2py2 h GLU 30 N 0.49 1.27 -0.69 1.69 5.08 -0.96 -0.35 114.58 121.10 2py2 h GLU 30 Ca 0.13 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2py2 h GLU 30 Cb 0.19 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2py2 h GLU 30 CO -0.01 0.85 0.22 1.03 -1.00 0.00 0.00 179.01 180.10 2py2 h SER 31 N 1.30 0.99 -0.48 1.42 0.87 -0.76 -2.39 113.55 114.51 2py2 h SER 31 Ca 0.35 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 2py2 h SER 31 Cb -0.12 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.57 2py2 h SER 31 CO -0.07 0.92 -0.14 0.00 -0.53 0.00 0.00 176.83 177.01 2py2 h MET 33 N 0.79 0.00 0.00 0.00 2.07 -0.66 -0.13 114.93 117.00 2py2 h MET 33 Ca 0.12 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.75 2py2 h MET 33 Cb 0.70 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.43 2py2 h MET 33 CO 0.05 0.00 -0.02 0.87 1.07 0.00 0.00 176.91 178.89 2py2 h LYS 34 N 0.00 0.00 -0.32 1.72 1.57 -1.20 -1.74 116.57 116.60 2py2 h LYS 34 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2py2 h LYS 34 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2py2 h LYS 34 CO -0.00 0.02 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 2py2 n GLU 35 N -3.16 3.08 -2.10 3.15 -0.58 -0.21 -4.94 120.64 115.89 2py2 n GLU 35 Ca -0.01 -2.70 -0.09 0.00 -0.42 0.00 0.00 57.16 53.94 2py2 n GLU 35 Cb 0.20 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.31 2py2 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2py2 n GLY 36 N -0.14 0.08 2.80 0.62 0.00 -0.65 -5.02 105.19 102.88 2py2 n GLY 36 Ca 0.20 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 2py2 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2py2 n ALA 37 N -1.23 0.39 -2.18 4.61 0.00 -0.32 -4.82 120.51 116.97 2py2 n ALA 37 Ca -0.11 -1.75 -0.11 0.00 0.00 0.00 0.00 53.44 51.48 2py2 n ALA 37 Cb 0.56 1.04 -0.10 0.00 0.00 0.00 0.00 19.45 20.95 2py2 n ALA 37 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2py2 s ASN 38 N -3.13 0.88 0.42 0.00 0.01 -0.89 -2.71 114.94 109.53 2py2 s ASN 38 Ca 0.07 -1.10 -0.26 0.00 -0.71 0.00 0.00 52.86 50.85 2py2 s ASN 38 Cb 0.00 0.16 -0.09 0.00 0.41 0.00 0.00 41.25 41.74 2py2 s ASN 38 CO 0.05 -0.58 1.38 -0.76 -1.51 0.00 0.00 177.10 175.69 2py2 s LEU 39 N -3.07 4.20 0.63 0.60 1.43 -1.26 -1.24 118.68 119.96 2py2 s LEU 39 Ca 0.18 2.83 -0.19 0.00 -1.03 0.00 0.00 54.13 55.92 2py2 s LEU 39 Cb 0.06 -3.87 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 2py2 s LEU 39 CO -0.01 -0.98 1.30 0.00 0.23 0.00 0.00 176.35 176.88 2py2 s ALA 40 N -1.21 2.47 0.06 4.21 0.00 0.33 -3.67 121.76 123.95 2py2 s ALA 40 Ca 0.58 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.80 2py2 s ALA 40 Cb -0.42 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2py2 s ALA 40 CO 0.54 -1.52 -0.05 -1.54 0.00 0.00 0.00 175.76 173.20 2py2 s SER 41 N -1.34 4.72 -0.09 0.00 1.04 -1.26 -0.62 113.70 116.14 2py2 s SER 41 Ca 0.80 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 57.06 2py2 s SER 41 Cb -0.37 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.68 2py2 s SER 41 CO 0.40 0.22 -0.20 -0.63 0.98 0.00 0.00 173.24 174.01 2py2 s ILE 42 N -1.15 1.78 0.00 -1.02 1.01 -1.26 -5.04 121.20 115.52 2py2 s ILE 42 Ca 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2py2 s ILE 42 Cb -0.11 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.80 2py2 s ILE 42 CO 0.13 0.50 0.72 1.41 0.00 0.00 0.00 174.94 177.70 2py2 n HIS 43 N 3.63 0.00 -3.62 3.97 8.25 -1.26 -4.56 115.22 121.63 2py2 n HIS 43 Ca -0.20 -0.26 -0.05 0.00 -0.26 0.00 0.00 57.72 56.95 2py2 n HIS 43 Cb 0.53 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 2py2 n HIS 43 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2py2 s SER 44 N -0.52 -0.25 0.25 0.41 1.04 -1.26 -4.71 113.70 108.67 2py2 s SER 44 Ca 0.00 -0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 2py2 s SER 44 Cb 0.00 0.39 0.29 0.00 0.10 0.00 0.00 66.02 66.79 2py2 s SER 44 CO 0.00 -0.68 1.88 0.25 0.98 0.00 0.00 173.24 175.68 2py2 h LEU 45 N 2.00 1.06 -0.68 2.42 5.85 -1.98 -0.46 115.31 123.52 2py2 h LEU 45 Ca -0.23 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 2py2 h LEU 45 Cb 1.23 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2py2 h LEU 45 CO 0.28 0.84 0.16 -0.33 -0.34 0.00 0.00 178.44 179.05 2py2 h GLU 46 N 1.20 1.09 -0.40 1.25 3.07 -1.99 0.28 114.58 119.07 2py2 h GLU 46 Ca 0.30 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 2py2 h GLU 46 Cb 0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 2py2 h GLU 46 CO -0.05 0.97 -0.16 1.49 -1.40 0.00 0.00 179.01 179.85 2py2 h GLU 47 N 1.02 0.83 -0.64 2.33 4.81 -1.83 -1.50 114.58 119.59 2py2 h GLU 47 Ca 0.21 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2py2 h GLU 47 Cb 0.37 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2py2 h GLU 47 CO 0.00 0.98 0.30 1.03 -0.73 0.00 0.00 179.01 180.59 2py2 h SER 48 N 0.64 0.85 -0.65 1.04 0.87 -0.86 -1.16 113.55 114.28 2py2 h SER 48 Ca 0.09 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2py2 h SER 48 Cb 0.71 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2py2 h SER 48 CO 0.05 0.75 0.38 0.74 -0.53 0.00 0.00 176.83 178.22 2py2 h THR 49 N 0.89 1.19 -0.32 2.23 2.02 -0.80 -0.81 112.91 117.32 2py2 h THR 49 Ca 0.22 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2py2 h THR 49 Cb 0.14 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2py2 h THR 49 CO -0.03 0.21 0.16 0.15 0.37 0.00 0.00 175.52 176.38 2py2 h PHE 50 N 0.88 0.46 -0.43 3.16 3.57 -0.80 -2.35 116.94 121.44 2py2 h PHE 50 Ca 0.23 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 2py2 h PHE 50 Cb 0.00 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2py2 h PHE 50 CO -0.01 0.40 -0.27 -0.39 -2.23 0.00 0.00 178.31 175.81 2py2 h VAL 51 N 0.38 1.27 -0.71 1.41 -1.51 -1.07 -2.71 116.25 113.33 2py2 h VAL 51 Ca 0.11 -1.43 0.04 0.00 -1.23 0.00 0.00 66.70 64.19 2py2 h VAL 51 Cb 0.11 1.23 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 2py2 h VAL 51 CO -0.01 0.48 0.47 0.11 -1.23 0.00 0.00 177.57 177.38 2py2 h LYS 52 N 0.77 0.80 -0.52 5.19 1.57 -1.03 -0.31 116.57 123.04 2py2 h LYS 52 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2py2 h LYS 52 Cb 0.83 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2py2 h LYS 52 CO 0.07 0.53 0.28 0.93 -0.57 0.00 0.00 179.45 180.69 2py2 h GLU 53 N 0.82 0.70 0.00 3.15 5.08 -1.10 -1.19 114.58 122.06 2py2 h GLU 53 Ca 0.29 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2py2 h GLU 53 Cb 0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2py2 h GLU 53 CO -0.08 0.52 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.38 2py2 h LEU 54 N 0.71 0.00 -1.29 1.33 3.38 -0.93 -2.87 115.31 115.64 2py2 h LEU 54 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2py2 h LEU 54 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2py2 h LEU 54 CO -0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.85 2py2 n THR 55 N -3.09 0.54 -0.53 0.22 -2.24 -0.45 -4.82 114.28 103.91 2py2 n THR 55 Ca 0.01 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.42 2py2 n THR 55 Cb 0.33 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2py2 n THR 55 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2py2 n SER 56 N 0.37 -3.16 0.29 3.42 3.41 -1.08 -2.36 113.62 114.52 2py2 n SER 56 Ca 0.10 0.31 0.17 0.00 -0.26 0.00 0.00 58.87 59.19 2py2 n SER 56 Cb 0.33 -1.66 0.91 0.00 -0.26 0.00 0.00 64.21 63.53 2py2 n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2py2 h ALA 57 N -0.50 1.24 0.00 7.33 0.00 -1.88 -0.50 119.26 124.95 2py2 h ALA 57 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2py2 h ALA 57 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2py2 h ALA 57 CO 0.01 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 2py2 n ASP 58 N -3.49 0.01 -3.68 0.00 10.43 -1.26 -4.95 116.55 113.61 2py2 n ASP 58 Ca -0.02 0.50 -0.26 0.00 2.57 0.00 0.00 54.79 57.58 2py2 n ASP 58 Cb 0.16 -0.50 0.01 0.00 1.84 0.00 0.00 41.12 42.63 2py2 n ASP 58 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2py2 n LEU 59 N -1.51 -2.71 -4.73 0.64 4.77 -0.20 -4.84 117.00 108.42 2py2 n LEU 59 Ca 0.06 -0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 2py2 n LEU 59 Cb 0.30 -2.11 -0.03 0.00 -2.33 0.00 0.00 43.42 39.25 2py2 n LEU 59 CO 0.24 0.22 1.18 -0.63 -1.33 0.00 0.00 177.39 177.06 2py2 s ILE 60 N -3.20 2.63 0.23 -0.08 1.01 -0.99 -4.88 121.20 115.91 2py2 s ILE 60 Ca 0.20 0.48 -0.32 0.00 0.00 0.00 0.00 60.65 61.02 2py2 s ILE 60 Cb -0.09 -3.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 2py2 s ILE 60 CO 0.87 0.05 1.66 -2.65 0.00 0.00 0.00 174.94 174.88 2py2 n PRO 61 N 3.26 2.64 -3.91 2.79 -0.02 -1.26 -4.76 135.00 133.74 2py2 n PRO 61 Ca 0.11 0.95 -0.10 0.00 -2.02 0.00 0.00 63.50 62.43 2py2 n PRO 61 Cb 0.39 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.01 2py2 n PRO 61 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2py2 s SER 62 N 0.92 0.10 0.30 2.55 0.01 -0.72 -3.70 113.70 113.17 2py2 s SER 62 Ca 0.72 -0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.40 2py2 s SER 62 Cb -0.53 0.17 -0.09 0.00 0.21 0.00 0.00 66.02 65.77 2py2 s SER 62 CO 0.38 -0.34 0.98 0.26 0.41 0.00 0.00 173.24 174.93 2py2 s TRP 63 N -1.40 3.70 0.37 2.43 0.23 0.11 -0.12 118.94 124.27 2py2 s TRP 63 Ca -0.15 1.79 0.04 0.00 -2.03 0.00 0.00 56.10 55.75 2py2 s TRP 63 Cb -0.08 -3.03 -0.05 0.00 0.03 0.00 0.00 33.47 30.34 2py2 s TRP 63 CO 0.01 0.05 0.06 0.96 0.96 0.00 0.00 176.95 178.99 2py2 s ILE 64 N -1.42 1.19 -0.04 2.03 -4.36 -0.91 -2.08 121.20 115.60 2py2 s ILE 64 Ca 0.48 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2py2 s ILE 64 Cb -0.23 -2.67 0.07 0.00 1.25 0.00 0.00 42.46 40.87 2py2 s ILE 64 CO 0.29 0.00 1.10 0.61 0.24 0.00 0.00 174.94 177.19 2py2 n GLY 65 N -0.83 2.25 3.54 6.27 0.00 0.21 -4.53 105.19 112.09 2py2 n GLY 65 Ca -0.05 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2py2 n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2py2 s GLY 66 N 0.79 1.74 0.17 -0.02 0.00 -1.26 -1.11 107.32 107.63 2py2 s GLY 66 Ca 0.06 -1.27 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 2py2 s GLY 66 CO 0.01 -1.24 0.61 -0.51 0.00 0.00 0.00 173.10 171.97 2py2 s THR 67 N -1.16 0.00 -0.27 0.90 -4.23 -0.70 -1.03 115.64 109.15 2py2 s THR 67 Ca 0.19 -0.11 0.15 0.00 -1.18 0.00 0.00 61.69 60.75 2py2 s THR 67 Cb -0.11 -1.10 0.48 0.00 1.34 0.00 0.00 72.50 73.11 2py2 s THR 67 CO 0.12 -0.00 1.15 -0.90 -0.54 0.00 0.00 174.62 174.45 2py2 n ASP 68 N -0.39 3.18 0.26 3.99 5.75 -0.81 -1.39 116.55 127.14 2py2 n ASP 68 Ca -0.16 -2.91 0.15 0.00 -0.01 0.00 0.00 54.79 51.86 2py2 n ASP 68 Cb 0.64 -0.41 0.58 0.00 -1.03 0.00 0.00 41.12 40.91 2py2 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2py2 h GLN 70 N 0.00 0.00 -4.43 0.00 7.50 -1.89 -3.46 115.11 112.83 2py2 h GLN 70 Ca -0.00 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.59 2py2 h GLN 70 Cb 0.62 0.00 -0.36 0.00 0.05 0.00 0.00 27.48 27.78 2py2 h GLN 70 CO 0.01 0.00 -0.82 0.08 -1.50 0.00 0.00 178.83 176.60 2py2 s VAL 71 N -1.44 1.28 0.05 -0.54 1.01 -1.25 -5.10 120.40 114.41 2py2 s VAL 71 Ca -0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 61.98 61.16 2py2 s VAL 71 Cb 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 36.38 34.96 2py2 s VAL 71 CO 0.00 0.41 1.33 -0.24 0.00 0.00 0.00 175.10 176.60 2py2 n SER 72 N 4.85 1.45 0.00 3.32 2.88 -1.25 -1.54 113.62 123.33 2py2 n SER 72 Ca -0.15 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2py2 n SER 72 Cb 0.50 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2py2 n SER 72 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2py2 n THR 73 N 2.50 0.00 -3.50 2.46 -2.24 -1.26 -5.01 114.28 107.23 2py2 n THR 73 Ca 0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.55 2py2 n THR 73 Cb 0.17 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 2py2 n THR 73 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2py2 s ARG 74 N -0.16 2.79 -0.00 -0.78 1.81 -0.59 -5.06 118.95 116.96 2py2 s ARG 74 Ca 0.00 -1.40 -0.17 0.00 -1.72 0.00 0.00 55.73 52.44 2py2 s ARG 74 Cb 0.00 -3.96 -0.06 0.00 -0.45 0.00 0.00 34.95 30.49 2py2 s ARG 74 CO 0.00 -0.99 0.46 -1.58 -0.68 0.00 0.00 175.30 172.52 2py2 s TRP 75 N 1.53 3.71 0.02 -0.53 0.52 -1.26 -4.23 118.94 118.70 2py2 s TRP 75 Ca 0.03 1.05 0.02 0.00 0.02 0.00 0.00 56.10 57.22 2py2 s TRP 75 Cb -0.24 -2.40 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2py2 s TRP 75 CO 0.04 0.54 -0.06 -0.06 0.02 0.00 0.00 176.95 177.44 2py2 s PHE 76 N -0.76 0.49 0.12 -1.98 0.08 -0.49 -4.81 117.98 110.64 2py2 s PHE 76 Ca 0.26 -0.31 -0.03 0.00 0.12 0.00 0.00 56.93 56.97 2py2 s PHE 76 Cb -0.17 -0.31 -0.05 0.00 -0.57 0.00 0.00 43.02 41.92 2py2 s PHE 76 CO 0.14 -0.06 0.33 -1.58 -0.10 0.00 0.00 175.22 173.95 2py2 s TRP 77 N -0.80 3.49 -0.51 0.36 0.23 -1.26 -1.73 118.94 118.72 2py2 s TRP 77 Ca -0.05 0.46 0.25 0.00 -2.03 0.00 0.00 56.10 54.73 2py2 s TRP 77 Cb -0.06 -1.93 0.93 0.00 0.03 0.00 0.00 33.47 32.44 2py2 s TRP 77 CO 0.00 0.47 1.75 0.52 0.96 0.00 0.00 176.95 180.66 2py2 h MET 78 N 2.84 0.00 -0.64 4.98 2.86 -1.41 -3.11 114.93 120.45 2py2 h MET 78 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2py2 h MET 78 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2py2 h MET 78 CO 0.73 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.30 2py2 n ASP 79 N -2.37 4.28 -0.67 1.22 5.68 -1.26 -4.92 116.55 118.51 2py2 n ASP 79 Ca 0.03 -2.47 -0.09 0.00 -0.50 0.00 0.00 54.79 51.76 2py2 n ASP 79 Cb 0.32 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 39.70 2py2 n ASP 79 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2py2 n SER 80 N 0.81 -5.53 -4.90 -1.12 3.41 -1.18 -4.99 113.62 100.12 2py2 n SER 80 Ca 0.22 0.22 -0.28 0.00 -0.26 0.00 0.00 58.87 58.76 2py2 n SER 80 Cb 0.83 -3.80 0.07 0.00 -0.26 0.00 0.00 64.21 61.05 2py2 n SER 80 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2py2 s THR 81 N -1.83 2.66 0.34 6.66 -4.23 -1.26 -5.01 115.64 112.96 2py2 s THR 81 Ca 0.00 0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.32 2py2 s THR 81 Cb 0.00 -3.18 -0.10 0.00 1.34 0.00 0.00 72.50 70.56 2py2 s THR 81 CO 0.00 -0.22 0.95 -0.55 -0.54 0.00 0.00 174.62 174.26 2py2 s SER 82 N -4.47 7.26 -1.22 3.99 0.15 -1.26 -4.38 113.70 113.76 2py2 s SER 82 Ca 0.60 1.81 -0.17 0.00 0.70 0.00 0.00 55.95 58.89 2py2 s SER 82 Cb -0.11 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.74 2py2 s SER 82 CO 0.48 -0.13 1.56 -0.04 1.20 0.00 0.00 173.24 176.32 2py2 s MET 83 N -2.27 3.97 0.00 5.44 -1.94 -1.26 -4.67 119.30 118.57 2py2 s MET 83 Ca 0.52 -2.14 0.08 0.00 -1.71 0.00 0.00 55.69 52.44 2py2 s MET 83 Cb -0.17 -5.31 0.22 0.00 2.01 0.00 0.00 34.83 31.59 2py2 s MET 83 CO 0.22 -2.04 1.18 -0.40 -0.01 0.00 0.00 175.02 173.97 2py2 n ASP 84 N 7.27 2.66 -3.67 3.03 5.68 -1.26 -5.00 116.55 125.27 2py2 n ASP 84 Ca 0.42 -1.99 -0.14 0.00 -0.50 0.00 0.00 54.79 52.57 2py2 n ASP 84 Cb 0.45 -0.17 -0.08 0.00 -1.14 0.00 0.00 41.12 40.18 2py2 n ASP 84 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2py2 s TYR 85 N -0.99 -0.54 0.06 2.11 5.04 -1.26 -4.99 117.35 116.77 2py2 s TYR 85 Ca 0.17 1.20 -0.09 0.00 -2.44 0.00 0.00 57.07 55.92 2py2 s TYR 85 Cb 0.09 0.23 -0.00 0.00 0.35 0.00 0.00 41.96 42.63 2py2 s TYR 85 CO 0.12 -0.37 0.18 0.00 -1.34 0.00 0.00 175.55 174.13 2py2 s ALA 86 N -0.27 -0.26 -0.32 3.97 0.00 -1.26 -4.88 121.76 118.74 2py2 s ALA 86 Ca -0.04 -0.45 0.18 0.00 0.00 0.00 0.00 51.96 51.64 2py2 s ALA 86 Cb -0.03 0.35 0.47 0.00 0.00 0.00 0.00 23.12 23.90 2py2 s ALA 86 CO 0.03 -0.41 0.99 -3.47 0.00 0.00 0.00 175.76 172.90 2py2 n ASP 87 N 0.41 1.71 -4.77 0.00 2.03 -1.26 -5.11 116.55 109.57 2py2 n ASP 87 Ca -0.17 -2.67 -0.40 0.00 0.52 0.00 0.00 54.79 52.07 2py2 n ASP 87 Cb 0.60 -0.51 -0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2py2 n ASP 87 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2py2 s TRP 88 N -3.27 2.73 0.92 -0.67 0.52 -1.26 -0.06 118.94 117.86 2py2 s TRP 88 Ca 0.29 1.36 -0.12 0.00 0.02 0.00 0.00 56.10 57.64 2py2 s TRP 88 Cb 0.43 -3.75 0.14 0.00 -1.15 0.00 0.00 33.47 29.14 2py2 s TRP 88 CO 0.01 -2.34 1.12 0.00 0.02 0.00 0.00 176.95 175.77 2py2 s ALA 90 N -3.18 3.69 0.00 0.00 0.00 -1.26 -1.64 121.76 119.37 2py2 s ALA 90 Ca 0.64 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.12 2py2 s ALA 90 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2py2 s ALA 90 CO 0.55 -0.94 0.00 0.00 0.00 0.00 0.00 175.76 175.36 2py2 n ALA 91 N 1.86 0.00 -2.85 0.00 0.00 -1.26 -5.00 120.51 113.26 2py2 n ALA 91 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 2py2 n ALA 91 Cb 0.38 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 2py2 n ALA 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2py2 s GLN 92 N -0.78 3.15 0.42 0.00 -1.52 -0.65 -4.40 119.66 115.88 2py2 s GLN 92 Ca 0.00 -0.62 -0.08 0.00 -1.95 0.00 0.00 55.36 52.71 2py2 s GLN 92 Cb 0.00 -2.85 -0.05 0.00 -0.22 0.00 0.00 33.01 29.88 2py2 s GLN 92 CO 0.00 0.56 0.75 -1.25 -0.25 0.00 0.00 175.29 175.11 2py2 s PRO 93 N -2.64 3.67 0.24 2.91 0.04 -1.26 -4.67 135.00 133.29 2py2 s PRO 93 Ca 0.32 0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.75 2py2 s PRO 93 Cb -0.12 -2.41 0.25 0.00 0.04 0.00 0.00 34.50 32.26 2py2 s PRO 93 CO 0.25 -0.07 1.55 -0.44 0.04 0.00 0.00 177.00 178.33 2py2 h ASP 94 N 0.91 0.11 0.00 6.66 3.32 -1.89 -3.47 116.42 122.06 2py2 h ASP 94 Ca -0.47 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2py2 h ASP 94 Cb 1.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2py2 h ASP 94 CO 0.63 0.74 0.00 0.35 -1.72 0.00 0.00 179.24 179.24 2py2 n THR 95 N -3.78 0.00 -2.33 0.35 -2.24 -1.26 -4.98 114.28 100.03 2py2 n THR 95 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2py2 n THR 95 Cb 0.65 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 2py2 n THR 95 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2py2 s THR 96 N -1.89 3.25 0.40 4.28 2.01 -1.26 -4.36 115.64 118.07 2py2 s THR 96 Ca 0.00 1.20 0.39 0.00 0.31 0.00 0.00 61.69 63.60 2py2 s THR 96 Cb 0.00 -3.77 0.42 0.00 0.01 0.00 0.00 72.50 69.16 2py2 s THR 96 CO 0.00 0.26 2.19 -0.07 -0.69 0.00 0.00 174.62 176.32 2py2 h LEU 97 N 4.03 0.00 -0.68 4.42 3.38 -1.94 -2.31 115.31 122.22 2py2 h LEU 97 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2py2 h LEU 97 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2py2 h LEU 97 CO 0.68 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.92 2py2 h THR 98 N 0.00 0.00 -2.11 0.22 1.35 -1.98 -3.31 112.91 107.08 2py2 h THR 98 Ca 0.00 -0.34 -0.57 0.00 -0.55 0.00 0.00 66.41 64.95 2py2 h THR 98 Cb 0.20 1.17 -0.39 0.00 -1.73 0.00 0.00 68.15 67.41 2py2 h THR 98 CO 0.00 0.00 -1.07 -1.84 -0.25 0.00 0.00 175.52 172.36 2py2 n GLU 99 N -2.41 0.59 -0.16 4.72 0.28 -0.87 -3.99 120.64 118.82 2py2 n GLU 99 Ca 0.03 -3.23 0.09 0.00 -0.16 0.00 0.00 57.16 53.88 2py2 n GLU 99 Cb 0.29 -1.35 0.17 0.00 1.43 0.00 0.00 31.44 31.97 2py2 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2py2 s ILE 102 N -0.99 4.91 -0.08 0.00 1.01 -0.19 -0.24 121.20 125.60 2py2 s ILE 102 Ca 0.15 1.68 0.02 0.00 0.00 0.00 0.00 60.65 62.50 2py2 s ILE 102 Cb -0.12 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 2py2 s ILE 102 CO 0.04 0.09 -0.16 -1.58 0.00 0.00 0.00 174.94 173.34 2py2 s GLN 103 N 1.71 2.89 0.41 2.79 0.74 -0.93 -2.15 119.66 125.12 2py2 s GLN 103 Ca 0.41 -0.73 0.08 0.00 0.05 0.00 0.00 55.36 55.17 2py2 s GLN 103 Cb -0.17 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.48 2py2 s GLN 103 CO 0.16 0.41 0.45 0.00 -0.55 0.00 0.00 175.29 175.76 2py2 s MET 104 N -0.18 2.68 -1.54 1.67 0.23 0.83 -1.59 119.30 121.40 2py2 s MET 104 Ca -0.01 -1.39 -0.03 0.00 -1.03 0.00 0.00 55.69 53.23 2py2 s MET 104 Cb -0.13 -2.55 0.00 0.00 -1.53 0.00 0.00 34.83 30.62 2py2 s MET 104 CO 0.03 -0.20 0.44 0.09 -2.03 0.00 0.00 175.02 173.36 2py2 n ASN 105 N -1.66 -5.88 -4.82 -1.18 5.03 -1.08 -1.75 115.26 103.92 2py2 n ASN 105 Ca 0.05 -0.21 -0.38 0.00 0.87 0.00 0.00 54.58 54.90 2py2 n ASN 105 Cb 0.60 -4.75 -0.06 0.00 -1.02 0.00 0.00 39.78 34.55 2py2 n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2py2 s VAL 106 N -3.11 4.92 0.14 2.41 1.01 -0.39 -3.99 120.40 121.37 2py2 s VAL 106 Ca 0.22 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2py2 s VAL 106 Cb -0.10 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2py2 s VAL 106 CO 0.27 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.54 2py2 n GLY 107 N 1.83 -2.00 0.25 4.51 0.00 -1.26 -2.17 105.19 106.35 2py2 n GLY 107 Ca -0.12 -1.33 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2py2 n GLY 107 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2py2 h ILE 108 N -0.55 0.44 0.00 -0.61 3.07 -2.00 -2.44 117.51 115.42 2py2 h ILE 108 Ca 0.01 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.64 2py2 h ILE 108 Cb 0.54 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 2py2 h ILE 108 CO 0.00 0.14 -0.12 0.61 -1.05 0.00 0.00 178.15 177.74 2py2 n GLY 109 N -0.19 -1.49 3.70 0.16 0.00 -1.26 -4.96 105.19 101.15 2py2 n GLY 109 Ca -0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2py2 n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2py2 n LYS 110 N -1.68 -5.28 -1.82 1.61 4.76 -0.92 -4.96 118.16 109.88 2py2 n LYS 110 Ca 0.06 0.65 -0.01 0.00 -2.87 0.00 0.00 58.31 56.14 2py2 n LYS 110 Cb 0.36 -5.31 -0.00 0.00 -1.84 0.00 0.00 35.03 28.24 2py2 n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2py2 s TRP 112 N -0.52 3.64 -0.14 0.00 0.52 0.92 -1.26 118.94 122.10 2py2 s TRP 112 Ca 0.01 1.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.38 2py2 s TRP 112 Cb -0.00 -2.56 0.06 0.00 -1.15 0.00 0.00 33.47 29.82 2py2 s TRP 112 CO 0.01 0.36 0.32 1.21 0.02 0.00 0.00 176.95 178.87 2py2 s ASN 113 N -1.65 -0.14 0.01 2.95 3.84 -0.62 -1.08 114.94 118.24 2py2 s ASN 113 Ca 0.42 0.71 -0.30 0.00 0.21 0.00 0.00 52.86 53.89 2py2 s ASN 113 Cb -0.16 0.74 -0.05 0.00 -0.55 0.00 0.00 41.25 41.23 2py2 s ASN 113 CO 0.21 -0.21 1.22 1.51 -2.79 0.00 0.00 177.10 177.04 2py2 s ASP 114 N 1.86 7.05 0.15 -4.21 -4.77 -1.26 -2.20 116.67 113.29 2py2 s ASP 114 Ca -0.05 1.95 0.02 0.00 -3.30 0.00 0.00 52.55 51.17 2py2 s ASP 114 Cb -0.11 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.11 2py2 s ASP 114 CO -0.10 -0.54 -0.03 0.42 0.70 0.00 0.00 175.17 175.62 2py2 s THR 115 N 1.63 0.75 -0.14 2.11 -4.23 0.66 -4.76 115.64 111.67 2py2 s THR 115 Ca 0.58 -1.98 -0.38 0.00 -1.18 0.00 0.00 61.69 58.73 2py2 s THR 115 Cb -0.28 -1.99 -0.15 0.00 1.34 0.00 0.00 72.50 71.42 2py2 s THR 115 CO 0.26 -0.60 1.69 -2.65 -0.54 0.00 0.00 174.62 172.78 2py2 n PRO 116 N -0.19 1.45 0.32 3.99 -0.02 -1.26 -2.42 135.00 136.88 2py2 n PRO 116 Ca -0.08 0.53 0.20 0.00 -2.02 0.00 0.00 63.50 62.12 2py2 n PRO 116 Cb 0.62 -2.25 1.09 0.00 -0.02 0.00 0.00 33.50 32.95 2py2 n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2py2 n THR 118 N -3.40 0.03 -2.16 0.00 -2.24 -1.26 -1.07 114.28 104.19 2py2 n THR 118 Ca -0.03 0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2py2 n THR 118 Cb 0.08 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2py2 n THR 118 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2py2 s HIS 119 N -2.88 2.70 -0.19 4.78 3.76 -0.82 -4.64 115.29 118.01 2py2 s HIS 119 Ca 0.18 1.51 -0.19 0.00 -0.15 0.00 0.00 55.06 56.41 2py2 s HIS 119 Cb 0.19 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 2py2 s HIS 119 CO 0.50 -1.81 0.52 -0.51 -0.85 0.00 0.00 174.74 172.59 2py2 s LEU 120 N -3.33 4.17 0.12 0.89 2.01 -1.26 -4.00 118.68 117.28 2py2 s LEU 120 Ca 0.68 0.71 -0.11 0.00 0.01 0.00 0.00 54.13 55.42 2py2 s LEU 120 Cb -0.30 -2.72 0.01 0.00 0.01 0.00 0.00 46.19 43.19 2py2 s LEU 120 CO 0.35 -0.16 0.26 -1.00 1.01 0.00 0.00 176.35 176.82 2py2 s HIS 121 N 1.50 0.12 1.25 0.29 3.76 -0.38 -4.73 115.29 117.10 2py2 s HIS 121 Ca 0.25 -0.51 -0.20 0.00 -0.15 0.00 0.00 55.06 54.45 2py2 s HIS 121 Cb -0.15 0.02 0.31 0.00 1.11 0.00 0.00 32.58 33.86 2py2 s HIS 121 CO 0.10 -0.63 1.08 -1.12 -0.85 0.00 0.00 174.74 173.32 2py2 s SER 122 N -2.87 0.48 0.21 1.40 0.01 -1.24 -1.93 113.70 109.77 2py2 s SER 122 Ca 0.07 0.66 -0.18 0.00 1.31 0.00 0.00 55.95 57.81 2py2 s SER 122 Cb 0.04 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.38 2py2 s SER 122 CO -0.09 -4.39 0.56 -0.94 0.41 0.00 0.00 173.24 168.79 2py2 s SER 123 N -3.76 -0.26 -0.14 2.44 1.04 -0.40 -0.71 113.70 111.91 2py2 s SER 123 Ca 0.71 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.62 2py2 s SER 123 Cb -0.10 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2py2 s SER 123 CO 0.56 -1.11 -0.18 -0.63 0.98 0.00 0.00 173.24 172.86 2py2 s ILE 124 N -3.89 2.45 0.19 -1.02 -1.09 -0.88 -0.20 121.20 116.76 2py2 s ILE 124 Ca 0.11 -0.85 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 2py2 s ILE 124 Cb -0.02 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.81 2py2 s ILE 124 CO -0.00 0.53 0.10 0.00 -1.23 0.00 0.00 174.94 174.33 2py2 s ALA 126 N -1.88 -1.50 0.05 0.00 0.00 -0.38 -1.42 121.76 116.64 2py2 s ALA 126 Ca 0.30 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 2py2 s ALA 126 Cb -0.09 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.14 2py2 s ALA 126 CO 0.22 -0.35 0.58 -1.59 0.00 0.00 0.00 175.76 174.62 2py2 s LYS 127 N -1.31 1.10 0.58 0.00 -2.85 -0.49 -2.09 119.74 114.68 2py2 s LYS 127 Ca -0.11 -0.16 -0.20 0.00 -1.00 0.00 0.00 55.97 54.51 2py2 s LYS 127 Cb -0.01 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 2py2 s LYS 127 CO 0.08 -0.41 1.26 -1.25 0.10 0.00 0.00 175.35 175.14 2py2 s PRO 128 N -2.41 2.97 0.23 1.78 0.04 -1.26 0.29 135.00 136.64 2py2 s PRO 128 Ca -0.05 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 2py2 s PRO 128 Cb -0.01 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2py2 s PRO 128 CO -0.01 -1.25 1.19 -1.17 0.04 0.00 0.00 177.00 175.80 2py2 s LEU 129 N -3.93 4.47 0.00 -3.56 2.96 -0.29 -4.63 118.68 113.71 2py2 s LEU 129 Ca 0.76 2.30 0.23 0.00 -0.22 0.00 0.00 54.13 57.20 2py2 s LEU 129 Cb -0.35 -3.62 0.18 0.00 0.50 0.00 0.00 46.19 42.91 2py2 s LEU 129 CO 0.38 -0.33 1.21 0.29 -1.32 0.00 0.00 176.35 176.58