#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 2.91 0.00 0.00 0.04 -1.26 -4.80 135.00 131.89 2py2 s PRO 5 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2py2 s PRO 5 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2py2 s PRO 5 CO 0.00 -1.28 0.00 2.41 0.04 0.00 0.00 177.00 178.17 2py2 n THR 6 N -1.57 0.00 1.61 1.26 -1.04 -1.26 0.03 114.28 113.31 2py2 n THR 6 Ca 0.14 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.15 2py2 n THR 6 Cb 0.49 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.02 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 -0.00 0.53 -4.88 8.00 8.00 -1.26 -4.88 116.55 122.07 2py2 n ASP 7 Ca 0.00 -2.02 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 2py2 n ASP 7 Cb 0.00 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.75 3.57 -0.15 1.24 0.52 0.10 -4.85 118.94 117.62 2py2 s TRP 8 Ca 0.04 0.67 -0.05 0.00 0.02 0.00 0.00 56.10 56.78 2py2 s TRP 8 Cb 0.02 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 2py2 s TRP 8 CO 0.02 0.56 0.02 0.15 0.02 0.00 0.00 176.95 177.72 2py2 s LYS 9 N -1.90 3.64 0.17 4.98 -0.14 0.46 -4.67 119.74 122.28 2py2 s LYS 9 Ca 0.31 -0.41 -0.22 0.00 -1.36 0.00 0.00 55.97 54.29 2py2 s LYS 9 Cb -0.13 -3.02 -0.08 0.00 -1.68 0.00 0.00 37.83 32.92 2py2 s LYS 9 CO 0.18 0.38 0.73 1.41 -0.76 0.00 0.00 175.35 177.28 2py2 s MET 10 N 0.04 4.40 -0.28 1.68 1.75 -1.26 -0.12 119.30 125.51 2py2 s MET 10 Ca 0.03 1.00 -0.03 0.00 -1.25 0.00 0.00 55.69 55.44 2py2 s MET 10 Cb -0.13 -3.13 0.17 0.00 2.84 0.00 0.00 34.83 34.58 2py2 s MET 10 CO 0.02 0.52 0.56 0.12 -0.65 0.00 0.00 175.02 175.59 2py2 s PHE 11 N -1.27 -1.39 -1.40 4.11 5.36 -0.16 -4.97 117.98 118.27 2py2 s PHE 11 Ca 0.37 1.65 -0.02 0.00 -0.96 0.00 0.00 56.93 57.97 2py2 s PHE 11 Cb -0.20 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 42.98 2py2 s PHE 11 CO 0.23 -0.80 0.55 -1.71 -1.46 0.00 0.00 175.22 172.04 2py2 n ASN 12 N 5.42 -0.95 0.00 6.13 2.85 -1.26 -2.00 115.26 125.44 2py2 n ASN 12 Ca -0.04 -0.94 0.00 0.00 -0.11 0.00 0.00 54.58 53.50 2py2 n ASN 12 Cb 0.50 -3.40 0.00 0.00 1.24 0.00 0.00 39.78 38.12 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 0.85 3.34 8.20 0.00 -1.26 -5.03 105.19 109.48 2py2 n GLY 13 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.23 1.33 -0.12 1.61 0.52 -0.85 -1.32 118.95 119.89 2py2 s ARG 14 Ca 0.00 -1.59 0.02 0.00 -0.52 0.00 0.00 55.73 53.64 2py2 s ARG 14 Cb 0.00 -1.11 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 2py2 s ARG 14 CO 0.00 0.18 -0.18 0.00 0.02 0.00 0.00 175.30 175.33 2py2 s PHE 16 N 0.38 2.53 -0.14 0.00 0.08 0.83 -1.52 117.98 120.14 2py2 s PHE 16 Ca -0.14 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 2py2 s PHE 16 Cb -0.17 -1.21 0.05 0.00 -0.57 0.00 0.00 43.02 41.12 2py2 s PHE 16 CO 0.07 0.55 0.34 -1.17 -0.10 0.00 0.00 175.22 174.90 2py2 s LEU 17 N -2.97 0.33 -0.19 -0.37 2.96 -0.38 -0.41 118.68 117.64 2py2 s LEU 17 Ca 0.25 0.71 -0.16 0.00 -0.22 0.00 0.00 54.13 54.71 2py2 s LEU 17 Cb -0.08 1.10 -0.04 0.00 0.50 0.00 0.00 46.19 47.68 2py2 s LEU 17 CO 0.14 -0.16 0.42 0.12 -1.32 0.00 0.00 176.35 175.55 2py2 s PHE 18 N 0.95 3.39 -0.41 5.38 5.36 -1.26 -0.31 117.98 131.07 2py2 s PHE 18 Ca -0.06 0.66 -0.09 0.00 -0.96 0.00 0.00 56.93 56.48 2py2 s PHE 18 Cb -0.07 -2.54 0.08 0.00 -0.34 0.00 0.00 43.02 40.15 2py2 s PHE 18 CO -0.07 0.00 0.25 1.21 -1.46 0.00 0.00 175.22 175.15 2py2 s ASN 19 N 1.00 5.60 0.45 6.13 2.47 0.12 -4.97 114.94 125.74 2py2 s ASN 19 Ca 0.20 -1.50 0.20 0.00 0.42 0.00 0.00 52.86 52.18 2py2 s ASN 19 Cb -0.15 -1.97 1.10 0.00 -1.45 0.00 0.00 41.25 38.78 2py2 s ASN 19 CO 0.08 -0.52 1.96 1.55 -3.72 0.00 0.00 177.10 176.45 2py2 h PRO 20 N 8.38 0.00 -6.46 0.43 0.13 -1.96 -0.77 132.00 131.74 2py2 h PRO 20 Ca -0.22 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.30 2py2 h PRO 20 Cb 1.08 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.27 2py2 h PRO 20 CO 0.74 0.22 0.73 -0.11 -0.23 0.00 0.00 178.00 179.35 2py2 n LEU 21 N -3.91 2.82 -4.62 1.56 7.94 -1.26 -4.41 117.00 115.12 2py2 n LEU 21 Ca -0.02 1.09 -0.43 0.00 -1.11 0.00 0.00 56.01 55.54 2py2 n LEU 21 Cb 0.30 -1.38 -0.02 0.00 0.53 0.00 0.00 43.42 42.85 2py2 n LEU 21 CO 0.34 -0.43 0.96 -1.10 -1.11 0.00 0.00 177.39 176.04 2py2 s GLN 22 N 0.85 3.89 0.08 1.96 -1.52 -1.26 -4.07 119.66 119.58 2py2 s GLN 22 Ca 0.80 0.79 0.02 0.00 -1.95 0.00 0.00 55.36 55.01 2py2 s GLN 22 Cb -0.73 -3.82 -0.04 0.00 -0.22 0.00 0.00 33.01 28.20 2py2 s GLN 22 CO 0.40 -1.11 -0.06 -0.51 -0.25 0.00 0.00 175.29 173.75 2py2 s LEU 23 N 3.95 2.43 0.89 2.90 1.43 -0.74 -4.65 118.68 124.89 2py2 s LEU 23 Ca 0.45 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2py2 s LEU 23 Cb -0.10 -0.07 0.12 0.00 0.03 0.00 0.00 46.19 46.18 2py2 s LEU 23 CO 0.23 -0.40 1.12 -1.38 0.23 0.00 0.00 176.35 176.14 2py2 s HIS 24 N -2.98 2.54 0.22 0.29 -3.43 -1.26 -1.33 115.29 109.34 2py2 s HIS 24 Ca 0.05 0.98 -0.08 0.00 -0.80 0.00 0.00 55.06 55.20 2py2 s HIS 24 Cb 0.01 -3.29 0.31 0.00 -1.43 0.00 0.00 32.58 28.19 2py2 s HIS 24 CO -0.04 -2.26 1.75 2.35 -2.00 0.00 0.00 174.74 174.54 2py2 h TRP 25 N -1.43 0.46 -0.43 0.38 7.01 -1.30 -1.06 115.95 119.58 2py2 h TRP 25 Ca -0.50 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.52 2py2 h TRP 25 Cb 1.31 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.25 2py2 h TRP 25 CO 0.35 0.12 0.23 0.00 -2.79 0.00 0.00 178.44 176.35 2py2 h ALA 26 N 1.44 0.55 -0.31 2.65 0.00 -1.92 -0.41 119.26 121.26 2py2 h ALA 26 Ca 0.33 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2py2 h ALA 26 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2py2 h ALA 26 CO -0.31 0.08 -0.13 -0.44 0.00 0.00 0.00 179.25 178.45 2py2 h ASP 27 N 0.56 0.52 -0.47 0.00 3.32 -1.83 -1.10 116.42 117.42 2py2 h ASP 27 Ca 0.15 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2py2 h ASP 27 Cb 0.06 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2py2 h ASP 27 CO -0.02 0.68 0.11 0.00 -1.72 0.00 0.00 179.24 178.29 2py2 h ALA 28 N 1.37 0.61 -0.41 3.45 0.00 -0.68 -1.19 119.26 122.42 2py2 h ALA 28 Ca 0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2py2 h ALA 28 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2py2 h ALA 28 CO 0.03 0.30 0.02 0.37 0.00 0.00 0.00 179.25 179.97 2py2 h GLN 29 N 0.63 0.71 -0.57 0.00 5.75 -0.85 -2.42 115.11 118.35 2py2 h GLN 29 Ca 0.15 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2py2 h GLN 29 Cb 0.33 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2py2 h GLN 29 CO 0.00 0.78 0.38 0.93 -2.65 0.00 0.00 178.83 178.27 2py2 h GLU 30 N 0.54 0.75 -0.41 1.69 5.08 -1.05 -1.03 114.58 120.16 2py2 h GLU 30 Ca 0.12 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2py2 h GLU 30 Cb 0.45 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2py2 h GLU 30 CO 0.02 0.50 -0.24 1.03 -1.00 0.00 0.00 179.01 179.32 2py2 h SER 31 N 0.77 0.86 -0.33 1.42 0.87 -0.96 -2.76 113.55 113.42 2py2 h SER 31 Ca 0.21 -0.32 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 2py2 h SER 31 Cb -0.09 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 2py2 h SER 31 CO -0.05 1.06 -0.18 0.00 -0.53 0.00 0.00 176.83 177.13 2py2 h MET 33 N 0.71 0.00 0.00 0.00 2.07 -0.97 -0.26 114.93 116.48 2py2 h MET 33 Ca 0.10 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 2py2 h MET 33 Cb 0.69 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 2py2 h MET 33 CO 0.05 0.10 0.00 0.87 1.07 0.00 0.00 176.91 179.00 2py2 h LYS 34 N 0.00 0.00 -0.33 1.72 1.57 -1.27 -1.98 116.57 116.28 2py2 h LYS 34 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 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 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 2py2 n GLU 35 N -2.56 2.94 -2.27 3.15 -0.58 -0.43 -4.94 120.64 115.95 2py2 n GLU 35 Ca 0.01 -2.38 -0.10 0.00 -0.42 0.00 0.00 57.16 54.27 2py2 n GLU 35 Cb 0.22 -1.51 -0.00 0.00 -0.57 0.00 0.00 31.44 29.58 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 0.18 -0.01 3.27 0.62 0.00 -0.74 -5.01 105.19 103.49 2py2 n GLY 36 Ca 0.16 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.69 0.51 -2.14 4.61 0.00 -0.24 -4.84 120.51 116.72 2py2 n ALA 37 Ca -0.11 -2.03 -0.09 0.00 0.00 0.00 0.00 53.44 51.21 2py2 n ALA 37 Cb 0.58 1.29 -0.10 0.00 0.00 0.00 0.00 19.45 21.22 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 -3.47 0.71 0.46 0.00 0.01 -0.86 -2.70 114.94 109.09 2py2 s ASN 38 Ca 0.14 -1.05 -0.25 0.00 -0.71 0.00 0.00 52.86 50.99 2py2 s ASN 38 Cb 0.01 0.18 -0.08 0.00 0.41 0.00 0.00 41.25 41.76 2py2 s ASN 38 CO 0.10 -0.58 1.36 0.18 -1.51 0.00 0.00 177.10 176.65 2py2 n LEU 39 N 0.00 4.80 -4.76 0.60 4.77 -1.26 -0.96 117.00 120.18 2py2 n LEU 39 Ca -0.11 1.09 -0.39 0.00 -0.03 0.00 0.00 56.01 56.57 2py2 n LEU 39 Cb 0.62 -1.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 2py2 n LEU 39 CO 0.29 -0.39 0.96 0.00 -1.33 0.00 0.00 177.39 176.92 2py2 s ALA 40 N -1.21 3.09 0.08 -1.18 0.00 0.45 -3.74 121.76 119.25 2py2 s ALA 40 Ca 0.63 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.85 2py2 s ALA 40 Cb -0.46 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2py2 s ALA 40 CO 0.56 -0.98 0.08 -1.54 0.00 0.00 0.00 175.76 173.88 2py2 s SER 41 N -0.88 5.51 -0.08 0.00 1.04 -1.26 -0.21 113.70 117.82 2py2 s SER 41 Ca 0.62 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 57.06 2py2 s SER 41 Cb -0.38 -1.47 0.01 0.00 0.10 0.00 0.00 66.02 64.28 2py2 s SER 41 CO 0.47 0.17 -0.13 -0.63 0.98 0.00 0.00 173.24 174.11 2py2 s ILE 42 N -1.38 1.22 0.00 -1.02 1.01 -1.26 -5.03 121.20 114.74 2py2 s ILE 42 Ca 0.29 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2py2 s ILE 42 Cb -0.12 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.22 2py2 s ILE 42 CO 0.22 0.38 0.84 1.41 0.00 0.00 0.00 174.94 177.78 2py2 n HIS 43 N 4.02 0.00 -3.58 3.97 8.25 -1.26 -4.52 115.22 122.11 2py2 n HIS 43 Ca -0.21 -0.34 -0.06 0.00 -0.26 0.00 0.00 57.72 56.84 2py2 n HIS 43 Cb 0.51 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.69 -0.28 0.22 0.41 1.04 -1.26 -4.65 113.70 108.48 2py2 s SER 44 Ca 0.00 -0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 2py2 s SER 44 Cb 0.00 0.37 0.18 0.00 0.10 0.00 0.00 66.02 66.67 2py2 s SER 44 CO 0.00 -0.63 1.81 0.25 0.98 0.00 0.00 173.24 175.65 2py2 h LEU 45 N 2.00 1.12 -0.40 2.42 5.85 -1.97 -0.01 115.31 124.32 2py2 h LEU 45 Ca -0.22 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2py2 h LEU 45 Cb 1.23 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2py2 h LEU 45 CO 0.29 0.95 0.16 -0.33 -0.34 0.00 0.00 178.44 179.17 2py2 h GLU 46 N 1.21 0.32 -0.49 1.25 3.07 -1.99 0.10 114.58 118.05 2py2 h GLU 46 Ca 0.29 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 59.01 2py2 h GLU 46 Cb 0.15 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 2py2 h GLU 46 CO -0.03 0.21 -0.16 1.49 -1.40 0.00 0.00 179.01 179.12 2py2 h GLU 47 N 0.33 0.94 -0.56 2.33 4.81 -1.83 -1.74 114.58 118.86 2py2 h GLU 47 Ca 0.18 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 2py2 h GLU 47 Cb 0.14 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2py2 h GLU 47 CO -0.17 1.02 0.24 1.03 -0.73 0.00 0.00 179.01 180.41 2py2 h SER 48 N 0.83 0.75 -0.18 1.04 0.87 -0.50 -1.19 113.55 115.17 2py2 h SER 48 Ca 0.12 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 2py2 h SER 48 Cb 0.70 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2py2 h SER 48 CO 0.05 0.69 -0.13 0.74 -0.53 0.00 0.00 176.83 177.65 2py2 h THR 49 N 0.76 1.24 -0.12 2.23 2.02 -0.65 -1.41 112.91 116.98 2py2 h THR 49 Ca 0.19 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 2py2 h THR 49 Cb 0.16 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2py2 h THR 49 CO -0.02 0.36 -0.01 0.15 0.37 0.00 0.00 175.52 176.37 2py2 h PHE 50 N 0.52 0.23 -0.42 3.16 3.57 -0.93 -2.94 116.94 120.14 2py2 h PHE 50 Ca 0.09 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2py2 h PHE 50 Cb 0.54 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2py2 h PHE 50 CO 0.02 0.47 0.11 -0.39 -2.23 0.00 0.00 178.31 176.29 2py2 h VAL 51 N -0.07 1.18 -1.00 1.41 -1.51 -1.04 -2.42 116.25 112.80 2py2 h VAL 51 Ca 0.03 -0.64 0.02 0.00 -1.23 0.00 0.00 66.70 64.89 2py2 h VAL 51 Cb 0.38 0.75 -0.05 0.00 -2.13 0.00 0.00 31.29 30.24 2py2 h VAL 51 CO 0.01 0.23 0.66 0.11 -1.23 0.00 0.00 177.57 177.35 2py2 h LYS 52 N 0.60 1.27 0.00 5.19 1.57 -1.15 -0.20 116.57 123.85 2py2 h LYS 52 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2py2 h LYS 52 Cb 0.21 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2py2 h LYS 52 CO -0.01 0.84 0.00 0.93 -0.57 0.00 0.00 179.45 180.64 2py2 h GLU 53 N 1.31 0.00 0.00 3.15 5.08 -1.26 -0.79 114.58 122.07 2py2 h GLU 53 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2py2 h GLU 53 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2py2 h GLU 53 CO -0.10 0.00 -0.23 1.28 -1.00 0.00 0.00 179.01 178.96 2py2 n LEU 54 N -2.79 0.52 -1.45 1.33 4.77 -0.09 -3.67 117.00 115.62 2py2 n LEU 54 Ca -0.01 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.42 2py2 n LEU 54 Cb 0.13 -0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.20 2py2 n LEU 54 CO 0.19 -0.05 0.74 0.35 -1.33 0.00 0.00 177.39 177.29 2py2 n THR 55 N -1.90 1.75 -0.09 -5.08 -2.24 -0.30 -4.73 114.28 101.69 2py2 n THR 55 Ca 0.05 -1.02 0.01 0.00 -2.27 0.00 0.00 64.05 60.83 2py2 n THR 55 Cb 0.39 -0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.75 -0.52 0.33 3.42 3.41 -1.24 -2.34 113.62 117.43 2py2 n SER 56 Ca 0.22 0.07 0.22 0.00 -0.26 0.00 0.00 58.87 59.11 2py2 n SER 56 Cb 0.85 -0.29 1.12 0.00 -0.26 0.00 0.00 64.21 65.63 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 -0.09 1.00 0.00 7.33 0.00 -1.90 -0.79 119.26 124.82 2py2 h ALA 57 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2py2 h ALA 57 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2py2 h ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2py2 n ASP 58 N -3.09 0.21 -3.43 0.00 10.43 -1.26 -4.97 116.55 114.45 2py2 n ASP 58 Ca -0.02 0.52 -0.15 0.00 2.57 0.00 0.00 54.79 57.71 2py2 n ASP 58 Cb 0.12 -0.58 0.01 0.00 1.84 0.00 0.00 41.12 42.51 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 -1.70 -4.40 -4.72 0.64 4.77 -0.30 -4.89 117.00 106.40 2py2 n LEU 59 Ca 0.07 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 2py2 n LEU 59 Cb 0.36 -2.58 -0.03 0.00 -2.33 0.00 0.00 43.42 38.84 2py2 n LEU 59 CO 0.28 -0.28 1.06 -0.63 -1.33 0.00 0.00 177.39 176.49 2py2 s ILE 60 N -3.10 3.27 0.18 -0.08 1.01 -0.99 -4.88 121.20 116.61 2py2 s ILE 60 Ca 0.11 0.92 -0.33 0.00 0.00 0.00 0.00 60.65 61.35 2py2 s ILE 60 Cb -0.04 -3.59 -0.14 0.00 0.01 0.00 0.00 42.46 38.71 2py2 s ILE 60 CO 0.82 0.08 1.52 -2.65 0.00 0.00 0.00 174.94 174.71 2py2 n PRO 61 N 3.80 2.10 -3.87 2.79 -0.02 -1.25 -4.76 135.00 133.79 2py2 n PRO 61 Ca 0.11 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.23 2py2 n PRO 61 Cb 0.42 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.72 0.00 0.33 2.55 0.01 -0.71 -3.79 113.70 112.82 2py2 s SER 62 Ca 0.76 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.61 2py2 s SER 62 Cb -0.68 0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.68 2py2 s SER 62 CO 0.41 -0.32 1.07 0.26 0.41 0.00 0.00 173.24 175.07 2py2 s TRP 63 N -1.17 3.46 0.37 2.43 0.23 0.24 -0.26 118.94 124.25 2py2 s TRP 63 Ca -0.13 1.69 0.04 0.00 -2.03 0.00 0.00 56.10 55.67 2py2 s TRP 63 Cb -0.07 -3.20 -0.06 0.00 0.03 0.00 0.00 33.47 30.18 2py2 s TRP 63 CO 0.01 -0.53 0.06 0.96 0.96 0.00 0.00 176.95 178.41 2py2 s ILE 64 N -1.38 1.22 -0.01 2.03 -4.36 -0.85 -2.02 121.20 115.82 2py2 s ILE 64 Ca 0.50 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 2py2 s ILE 64 Cb -0.27 -2.70 0.02 0.00 1.25 0.00 0.00 42.46 40.76 2py2 s ILE 64 CO 0.35 0.00 1.03 0.61 0.24 0.00 0.00 174.94 177.17 2py2 n GLY 65 N -0.82 2.07 3.58 6.27 0.00 0.70 -4.53 105.19 112.46 2py2 n GLY 65 Ca -0.05 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 0.94 1.77 0.11 -0.02 0.00 -1.26 -1.06 107.32 107.80 2py2 s GLY 66 Ca 0.02 -1.15 -0.25 0.00 0.00 0.00 0.00 44.72 43.34 2py2 s GLY 66 CO 0.00 -1.08 0.63 -0.51 0.00 0.00 0.00 173.10 172.14 2py2 s THR 67 N -1.12 0.00 -0.28 0.90 -4.23 -0.75 -0.49 115.64 109.68 2py2 s THR 67 Ca 0.20 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.86 2py2 s THR 67 Cb -0.11 -1.00 0.49 0.00 1.34 0.00 0.00 72.50 73.21 2py2 s THR 67 CO 0.11 0.00 1.15 -0.90 -0.54 0.00 0.00 174.62 174.44 2py2 n ASP 68 N -0.15 3.22 0.14 3.99 5.75 -0.83 -1.37 116.55 127.31 2py2 n ASP 68 Ca -0.17 -2.87 0.13 0.00 -0.01 0.00 0.00 54.79 51.87 2py2 n ASP 68 Cb 0.63 -0.41 0.47 0.00 -1.03 0.00 0.00 41.12 40.79 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 -4.09 0.00 7.50 -1.89 -3.46 115.11 113.17 2py2 h GLN 70 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 2py2 h GLN 70 Cb 0.51 0.00 -0.38 0.00 0.05 0.00 0.00 27.48 27.67 2py2 h GLN 70 CO 0.00 0.06 -0.79 0.08 -1.50 0.00 0.00 178.83 176.68 2py2 s VAL 71 N -1.86 0.93 0.12 -0.54 1.01 -1.25 -5.11 120.40 113.70 2py2 s VAL 71 Ca -0.07 -0.37 -0.35 0.00 0.00 0.00 0.00 61.98 61.19 2py2 s VAL 71 Cb 0.01 -1.06 -0.17 0.00 0.00 0.00 0.00 36.38 35.16 2py2 s VAL 71 CO 0.12 0.23 1.17 -0.24 0.00 0.00 0.00 175.10 176.39 2py2 n SER 72 N 4.95 1.08 0.00 3.32 2.88 -1.25 -1.34 113.62 123.27 2py2 n SER 72 Ca -0.11 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2py2 n SER 72 Cb 0.49 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 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 1.75 0.00 -3.46 2.46 -2.24 -1.26 -4.99 114.28 106.54 2py2 n THR 73 Ca 0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.52 2py2 n THR 73 Cb 0.20 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.00 2.69 0.10 -0.78 1.81 -0.45 -5.06 118.95 117.26 2py2 s ARG 74 Ca 0.00 -1.76 -0.23 0.00 -1.72 0.00 0.00 55.73 52.01 2py2 s ARG 74 Cb 0.00 -4.08 -0.07 0.00 -0.45 0.00 0.00 34.95 30.35 2py2 s ARG 74 CO 0.00 -1.25 0.71 -1.58 -0.68 0.00 0.00 175.30 172.50 2py2 s TRP 75 N 1.42 3.82 0.02 -0.53 0.52 -1.26 -4.31 118.94 118.63 2py2 s TRP 75 Ca 0.05 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.66 2py2 s TRP 75 Cb -0.27 -2.71 -0.02 0.00 -1.15 0.00 0.00 33.47 29.32 2py2 s TRP 75 CO 0.01 0.46 -0.05 -0.06 0.02 0.00 0.00 176.95 177.32 2py2 s PHE 76 N -0.78 0.43 -0.02 -1.98 0.08 -0.47 -4.81 117.98 110.42 2py2 s PHE 76 Ca 0.34 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.01 2py2 s PHE 76 Cb -0.21 -0.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.93 2py2 s PHE 76 CO 0.23 -0.08 0.18 -1.58 -0.10 0.00 0.00 175.22 173.87 2py2 s TRP 77 N -0.94 3.56 -0.20 0.36 0.23 -1.26 -1.80 118.94 118.89 2py2 s TRP 77 Ca -0.08 0.39 0.28 0.00 -2.03 0.00 0.00 56.10 54.66 2py2 s TRP 77 Cb -0.07 -1.85 1.21 0.00 0.03 0.00 0.00 33.47 32.79 2py2 s TRP 77 CO -0.00 0.66 1.84 0.52 0.96 0.00 0.00 176.95 180.92 2py2 h MET 78 N 3.95 0.00 -0.62 4.98 2.86 -1.39 -2.63 114.93 122.09 2py2 h MET 78 Ca -0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 2py2 h MET 78 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2py2 h MET 78 CO 0.68 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.25 2py2 n ASP 79 N -2.57 3.74 -2.17 1.22 5.68 -1.26 -4.93 116.55 116.26 2py2 n ASP 79 Ca 0.01 -2.32 -0.19 0.00 -0.50 0.00 0.00 54.79 51.80 2py2 n ASP 79 Cb 0.23 -0.50 -0.03 0.00 -1.14 0.00 0.00 41.12 39.68 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 0.86 -5.24 -4.96 -1.12 3.41 -0.99 -4.99 113.62 100.58 2py2 n SER 80 Ca 0.20 0.16 -0.22 0.00 -0.26 0.00 0.00 58.87 58.75 2py2 n SER 80 Cb 0.70 -4.46 0.03 0.00 -0.26 0.00 0.00 64.21 60.22 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 -2.83 3.11 0.39 6.66 -4.23 -1.26 -5.03 115.64 112.45 2py2 s THR 81 Ca 0.00 -0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.70 2py2 s THR 81 Cb 0.00 -3.17 -0.09 0.00 1.34 0.00 0.00 72.50 70.58 2py2 s THR 81 CO 0.00 -0.12 1.03 -0.55 -0.54 0.00 0.00 174.62 174.44 2py2 s SER 82 N -4.36 6.83 -1.08 3.99 0.15 -1.26 -4.40 113.70 113.56 2py2 s SER 82 Ca 0.54 2.00 -0.18 0.00 0.70 0.00 0.00 55.95 59.01 2py2 s SER 82 Cb -0.10 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.74 2py2 s SER 82 CO 0.39 -0.44 1.39 -0.04 1.20 0.00 0.00 173.24 175.74 2py2 s MET 83 N -2.48 3.78 -0.00 5.44 -1.94 -1.26 -4.70 119.30 118.14 2py2 s MET 83 Ca 0.57 -1.84 0.04 0.00 -1.71 0.00 0.00 55.69 52.75 2py2 s MET 83 Cb -0.21 -5.17 0.11 0.00 2.01 0.00 0.00 34.83 31.58 2py2 s MET 83 CO 0.26 -1.96 1.09 -0.40 -0.01 0.00 0.00 175.02 174.01 2py2 n ASP 84 N 7.23 2.35 -3.59 3.03 5.68 -1.26 -5.02 116.55 124.96 2py2 n ASP 84 Ca 0.34 -2.01 -0.16 0.00 -0.50 0.00 0.00 54.79 52.46 2py2 n ASP 84 Cb 0.47 -0.09 -0.07 0.00 -1.14 0.00 0.00 41.12 40.30 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 -1.01 -0.58 0.05 2.11 5.04 -1.26 -4.95 117.35 116.74 2py2 s TYR 85 Ca 0.09 1.10 -0.15 0.00 -2.44 0.00 0.00 57.07 55.67 2py2 s TYR 85 Cb 0.05 0.32 0.03 0.00 0.35 0.00 0.00 41.96 42.70 2py2 s TYR 85 CO 0.06 -0.51 0.35 0.00 -1.34 0.00 0.00 175.55 174.10 2py2 s ALA 86 N -0.89 -0.80 -0.37 3.97 0.00 -1.26 -4.88 121.76 117.52 2py2 s ALA 86 Ca -0.09 0.09 0.13 0.00 0.00 0.00 0.00 51.96 52.09 2py2 s ALA 86 Cb -0.02 0.36 0.42 0.00 0.00 0.00 0.00 23.12 23.88 2py2 s ALA 86 CO 0.07 -0.45 0.93 -3.47 0.00 0.00 0.00 175.76 172.84 2py2 n ASP 87 N 0.48 2.12 -4.77 0.00 2.03 -1.26 -5.07 116.55 110.08 2py2 n ASP 87 Ca -0.18 -3.03 -0.41 0.00 0.52 0.00 0.00 54.79 51.69 2py2 n ASP 87 Cb 0.60 -0.54 -0.01 0.00 -0.72 0.00 0.00 41.12 40.45 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 -3.07 2.83 0.77 -0.67 0.52 -1.26 -0.39 118.94 117.67 2py2 s TRP 88 Ca 0.35 1.24 -0.11 0.00 0.02 0.00 0.00 56.10 57.61 2py2 s TRP 88 Cb 0.41 -3.86 0.06 0.00 -1.15 0.00 0.00 33.47 28.93 2py2 s TRP 88 CO -0.04 -2.50 1.09 0.00 0.02 0.00 0.00 176.95 175.51 2py2 n ALA 90 N -3.51 1.12 -1.02 0.00 0.00 -1.26 -0.95 120.51 114.90 2py2 n ALA 90 Ca 0.09 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 2py2 n ALA 90 Cb 0.53 -2.24 -0.00 0.00 0.00 0.00 0.00 19.45 17.74 2py2 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2py2 n ALA 91 N 0.86 -0.01 -2.64 0.00 0.00 -1.26 -5.01 120.51 112.45 2py2 n ALA 91 Ca 0.07 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 2py2 n ALA 91 Cb 0.34 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.98 2.32 0.48 0.00 -1.52 -0.12 -4.47 119.66 115.37 2py2 s GLN 92 Ca 0.00 -1.13 -0.05 0.00 -1.95 0.00 0.00 55.36 52.23 2py2 s GLN 92 Cb 0.00 -2.31 -0.03 0.00 -0.22 0.00 0.00 33.01 30.44 2py2 s GLN 92 CO 0.00 0.45 0.78 -1.25 -0.25 0.00 0.00 175.29 175.03 2py2 s PRO 93 N -2.88 3.52 0.19 2.91 0.04 -1.26 -4.67 135.00 132.85 2py2 s PRO 93 Ca 0.27 0.18 0.10 0.00 0.04 0.00 0.00 61.00 61.59 2py2 s PRO 93 Cb -0.09 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 32.01 2py2 s PRO 93 CO 0.18 -0.21 1.37 -0.44 0.04 0.00 0.00 177.00 177.93 2py2 h ASP 94 N 0.22 0.00 0.00 6.66 3.32 -1.89 -3.47 116.42 121.26 2py2 h ASP 94 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2py2 h ASP 94 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2py2 h ASP 94 CO 0.62 0.79 0.00 0.35 -1.72 0.00 0.00 179.24 179.28 2py2 n THR 95 N -3.34 0.00 -2.44 0.35 -2.24 -1.26 -4.99 114.28 100.36 2py2 n THR 95 Ca 0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 2py2 n THR 95 Cb 0.84 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.05 3.45 0.43 4.28 2.01 -1.26 -4.39 115.64 118.10 2py2 s THR 96 Ca 0.00 1.28 0.30 0.00 0.31 0.00 0.00 61.69 63.59 2py2 s THR 96 Cb 0.00 -3.75 0.33 0.00 0.01 0.00 0.00 72.50 69.09 2py2 s THR 96 CO 0.00 0.18 2.12 -0.07 -0.69 0.00 0.00 174.62 176.15 2py2 h LEU 97 N 3.09 0.00 -1.62 4.42 3.38 -1.94 -2.39 115.31 120.25 2py2 h LEU 97 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 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 0.64 0.08 0.00 0.71 0.09 0.00 0.00 178.44 179.97 2py2 h THR 98 N 0.00 0.00 -2.08 0.22 1.35 -1.98 -3.30 112.91 107.12 2py2 h THR 98 Ca -0.00 -0.36 -0.56 0.00 -0.55 0.00 0.00 66.41 64.94 2py2 h THR 98 Cb 0.28 1.31 -0.38 0.00 -1.73 0.00 0.00 68.15 67.63 2py2 h THR 98 CO 0.01 0.00 -1.04 -1.84 -0.25 0.00 0.00 175.52 172.40 2py2 n GLU 99 N -2.94 0.52 -0.20 4.72 0.28 -0.90 -3.98 120.64 118.14 2py2 n GLU 99 Ca 0.00 -3.16 0.09 0.00 -0.16 0.00 0.00 57.16 53.93 2py2 n GLU 99 Cb 0.24 -1.38 0.19 0.00 1.43 0.00 0.00 31.44 31.92 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 -1.07 4.98 -0.09 0.00 1.01 0.36 0.05 121.20 126.45 2py2 s ILE 102 Ca 0.18 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.25 2py2 s ILE 102 Cb -0.12 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2py2 s ILE 102 CO 0.07 0.12 -0.10 -1.58 0.00 0.00 0.00 174.94 173.45 2py2 s GLN 103 N 1.72 2.93 0.46 2.79 0.74 -0.83 -2.01 119.66 125.45 2py2 s GLN 103 Ca 0.34 -0.62 0.07 0.00 0.05 0.00 0.00 55.36 55.21 2py2 s GLN 103 Cb -0.17 -2.58 -0.01 0.00 1.10 0.00 0.00 33.01 31.36 2py2 s GLN 103 CO 0.13 0.51 0.33 0.00 -0.55 0.00 0.00 175.29 175.71 2py2 s MET 104 N -0.40 2.35 -1.48 1.67 0.23 0.64 -1.33 119.30 120.99 2py2 s MET 104 Ca 0.05 -1.78 -0.07 0.00 -1.03 0.00 0.00 55.69 52.86 2py2 s MET 104 Cb -0.12 -2.18 0.02 0.00 -1.53 0.00 0.00 34.83 31.03 2py2 s MET 104 CO 0.02 -0.32 0.72 0.09 -2.03 0.00 0.00 175.02 173.51 2py2 n ASN 105 N -1.54 -5.67 -4.81 -1.18 5.03 -1.09 -1.73 115.26 104.27 2py2 n ASN 105 Ca 0.01 -0.39 -0.38 0.00 0.87 0.00 0.00 54.58 54.68 2py2 n ASN 105 Cb 0.63 -4.57 -0.06 0.00 -1.02 0.00 0.00 39.78 34.77 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 -3.17 4.99 0.08 2.41 1.01 -0.40 -3.79 120.40 121.52 2py2 s VAL 106 Ca 0.40 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2py2 s VAL 106 Cb -0.19 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2py2 s VAL 106 CO 0.50 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.73 2py2 n GLY 107 N 2.09 -1.61 0.28 4.51 0.00 -1.26 -1.88 105.19 107.32 2py2 n GLY 107 Ca -0.12 -1.20 0.17 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.34 0.08 0.00 -0.61 3.07 -2.00 -2.50 117.51 115.22 2py2 h ILE 108 Ca 0.01 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.91 2py2 h ILE 108 Cb 0.33 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 2py2 h ILE 108 CO 0.00 0.03 -0.20 0.61 -1.05 0.00 0.00 178.15 177.54 2py2 n GLY 109 N -0.13 -1.44 3.89 0.16 0.00 -1.25 -4.95 105.19 101.46 2py2 n GLY 109 Ca -0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.63 -4.48 -1.92 1.61 4.76 -0.79 -4.94 118.16 110.76 2py2 n LYS 110 Ca 0.06 0.53 -0.02 0.00 -2.87 0.00 0.00 58.31 56.01 2py2 n LYS 110 Cb 0.36 -5.10 -0.00 0.00 -1.84 0.00 0.00 35.03 28.45 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 -0.66 3.68 -0.08 0.00 0.52 0.48 -1.28 118.94 121.60 2py2 s TRP 112 Ca 0.01 1.17 -0.04 0.00 0.02 0.00 0.00 56.10 57.26 2py2 s TRP 112 Cb -0.00 -2.44 0.04 0.00 -1.15 0.00 0.00 33.47 29.92 2py2 s TRP 112 CO 0.01 0.48 0.18 1.21 0.02 0.00 0.00 176.95 178.84 2py2 s ASN 113 N -1.49 -0.01 0.11 2.95 3.84 -0.44 -1.11 114.94 118.79 2py2 s ASN 113 Ca 0.35 0.37 -0.30 0.00 0.21 0.00 0.00 52.86 53.49 2py2 s ASN 113 Cb -0.17 0.28 -0.06 0.00 -0.55 0.00 0.00 41.25 40.75 2py2 s ASN 113 CO 0.19 -0.17 1.10 1.51 -2.79 0.00 0.00 177.10 176.94 2py2 s ASP 114 N 1.41 7.24 0.10 -4.21 -4.77 -1.26 -1.97 116.67 113.21 2py2 s ASP 114 Ca -0.07 1.99 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 2py2 s ASP 114 Cb -0.11 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 2py2 s ASP 114 CO -0.07 -0.29 -0.02 0.42 0.70 0.00 0.00 175.17 175.92 2py2 s THR 115 N 0.33 0.41 -0.06 2.11 -4.23 0.11 -4.78 115.64 109.52 2py2 s THR 115 Ca 0.52 -1.90 -0.36 0.00 -1.18 0.00 0.00 61.69 58.78 2py2 s THR 115 Cb -0.28 -1.79 -0.14 0.00 1.34 0.00 0.00 72.50 71.64 2py2 s THR 115 CO 0.32 -0.76 1.69 -2.65 -0.54 0.00 0.00 174.62 172.69 2py2 n PRO 116 N -0.04 1.74 0.29 3.99 -0.02 -1.26 -2.42 135.00 137.29 2py2 n PRO 116 Ca -0.10 0.64 0.20 0.00 -2.02 0.00 0.00 63.50 62.21 2py2 n PRO 116 Cb 0.62 -2.39 1.01 0.00 -0.02 0.00 0.00 33.50 32.72 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 -2.90 0.05 -2.14 0.00 -2.24 -1.26 -1.13 114.28 104.65 2py2 n THR 118 Ca -0.02 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 2py2 n THR 118 Cb 0.10 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.01 2.91 -0.17 4.78 3.76 -0.68 -4.63 115.29 118.26 2py2 s HIS 119 Ca 0.14 1.47 -0.21 0.00 -0.15 0.00 0.00 55.06 56.30 2py2 s HIS 119 Cb 0.18 -3.56 -0.03 0.00 1.11 0.00 0.00 32.58 30.28 2py2 s HIS 119 CO 0.54 -1.79 0.63 -0.51 -0.85 0.00 0.00 174.74 172.76 2py2 s LEU 120 N -2.45 4.18 0.10 0.89 2.01 -1.26 -4.02 118.68 118.14 2py2 s LEU 120 Ca 0.57 0.89 -0.12 0.00 0.01 0.00 0.00 54.13 55.48 2py2 s LEU 120 Cb -0.35 -2.91 0.02 0.00 0.01 0.00 0.00 46.19 42.96 2py2 s LEU 120 CO 0.45 -0.22 0.29 -1.00 1.01 0.00 0.00 176.35 176.87 2py2 s HIS 121 N 1.61 -0.01 1.23 0.29 3.76 -0.45 -4.70 115.29 117.03 2py2 s HIS 121 Ca 0.30 -0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 54.67 2py2 s HIS 121 Cb -0.16 0.09 0.30 0.00 1.11 0.00 0.00 32.58 33.91 2py2 s HIS 121 CO 0.11 -0.61 1.04 -1.12 -0.85 0.00 0.00 174.74 173.31 2py2 s SER 122 N -2.81 0.60 0.20 1.40 0.01 -1.25 -1.80 113.70 110.06 2py2 s SER 122 Ca 0.04 0.94 -0.15 0.00 1.31 0.00 0.00 55.95 58.08 2py2 s SER 122 Cb 0.03 -1.39 0.01 0.00 0.21 0.00 0.00 66.02 64.89 2py2 s SER 122 CO -0.11 -4.36 0.48 -0.94 0.41 0.00 0.00 173.24 168.72 2py2 s SER 123 N -3.36 -0.17 -0.15 2.44 1.04 -0.30 -0.59 113.70 112.62 2py2 s SER 123 Ca 0.69 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 56.47 2py2 s SER 123 Cb -0.15 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2py2 s SER 123 CO 0.58 -1.06 -0.19 -0.63 0.98 0.00 0.00 173.24 172.93 2py2 s ILE 124 N -3.92 2.34 0.20 -1.02 -1.09 -0.86 0.14 121.20 117.00 2py2 s ILE 124 Ca 0.14 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 2py2 s ILE 124 Cb -0.00 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 2py2 s ILE 124 CO 0.01 0.53 0.12 0.00 -1.23 0.00 0.00 174.94 174.37 2py2 s ALA 126 N -1.93 -1.19 -0.02 0.00 0.00 -0.13 -1.25 121.76 117.24 2py2 s ALA 126 Ca 0.31 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2py2 s ALA 126 Cb -0.09 0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.23 2py2 s ALA 126 CO 0.23 -0.35 0.71 -1.59 0.00 0.00 0.00 175.76 174.76 2py2 s LYS 127 N -1.55 1.04 0.72 0.00 -2.85 -0.57 -2.03 119.74 114.49 2py2 s LYS 127 Ca -0.11 0.06 -0.16 0.00 -1.00 0.00 0.00 55.97 54.76 2py2 s LYS 127 Cb -0.02 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.27 2py2 s LYS 127 CO 0.05 -0.36 1.25 -1.25 0.10 0.00 0.00 175.35 175.13 2py2 s PRO 128 N -1.83 2.11 0.23 1.78 0.04 -1.26 0.15 135.00 136.21 2py2 s PRO 128 Ca -0.06 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2py2 s PRO 128 Cb -0.00 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2py2 s PRO 128 CO 0.03 -1.89 1.03 -1.17 0.04 0.00 0.00 177.00 175.04 2py2 s LEU 129 N -5.01 4.57 0.00 -3.56 2.96 -0.43 -4.63 118.68 112.58 2py2 s LEU 129 Ca 0.78 2.08 0.22 0.00 -0.22 0.00 0.00 54.13 56.99 2py2 s LEU 129 Cb -0.33 -3.61 0.17 0.00 0.50 0.00 0.00 46.19 42.92 2py2 s LEU 129 CO 0.45 -0.05 1.20 0.29 -1.32 0.00 0.00 176.35 176.91