#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 2.89 0.00 0.00 0.04 -1.26 -4.82 135.00 131.85 2py2 s PRO 5 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2py2 s PRO 5 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2py2 s PRO 5 CO 0.00 -1.32 0.00 2.41 0.04 0.00 0.00 177.00 178.13 2py2 n THR 6 N -1.50 0.00 1.72 1.26 -1.04 -1.26 -0.60 114.28 112.86 2py2 n THR 6 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2py2 n THR 6 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.15 -4.91 8.00 8.00 -1.26 -4.86 116.55 121.65 2py2 n ASP 7 Ca 0.00 -1.87 -0.32 0.00 0.71 0.00 0.00 54.79 53.31 2py2 n ASP 7 Cb 0.00 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.84 3.51 -0.13 1.24 0.52 0.23 -4.85 118.94 117.63 2py2 s TRP 8 Ca 0.00 0.37 -0.02 0.00 0.02 0.00 0.00 56.10 56.47 2py2 s TRP 8 Cb 0.00 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 2py2 s TRP 8 CO 0.00 0.55 -0.05 0.15 0.02 0.00 0.00 176.95 177.62 2py2 s LYS 9 N -2.44 3.42 0.18 4.98 -0.14 0.16 -4.72 119.74 121.18 2py2 s LYS 9 Ca 0.35 -0.53 -0.21 0.00 -1.36 0.00 0.00 55.97 54.23 2py2 s LYS 9 Cb -0.13 -2.82 -0.08 0.00 -1.68 0.00 0.00 37.83 33.12 2py2 s LYS 9 CO 0.25 0.36 0.70 1.41 -0.76 0.00 0.00 175.35 177.31 2py2 s MET 10 N 0.04 4.30 -0.28 1.68 -2.45 -1.26 0.06 119.30 121.38 2py2 s MET 10 Ca -0.00 0.89 -0.06 0.00 -1.25 0.00 0.00 55.69 55.27 2py2 s MET 10 Cb -0.13 -3.03 0.15 0.00 1.25 0.00 0.00 34.83 33.06 2py2 s MET 10 CO 0.03 0.48 0.58 0.12 1.05 0.00 0.00 175.02 177.28 2py2 s PHE 11 N -1.36 -1.33 -1.31 4.11 5.36 -0.05 -4.97 117.98 118.43 2py2 s PHE 11 Ca 0.39 1.90 -0.21 0.00 -0.96 0.00 0.00 56.93 58.05 2py2 s PHE 11 Cb -0.19 0.60 0.02 0.00 -0.34 0.00 0.00 43.02 43.12 2py2 s PHE 11 CO 0.22 -0.72 0.50 0.09 -1.46 0.00 0.00 175.22 173.84 2py2 n ASN 12 N 5.43 -2.63 0.00 6.13 3.02 -1.26 -1.86 115.26 124.09 2py2 n ASN 12 Ca -0.07 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 2py2 n ASN 12 Cb 0.50 -1.98 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 2py2 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2py2 n GLY 13 N -2.16 0.89 3.32 7.41 0.00 -1.26 -5.03 105.19 108.36 2py2 n GLY 13 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.20 1.26 -0.08 1.61 0.52 -0.78 -1.46 118.95 119.82 2py2 s ARG 14 Ca 0.00 -1.58 0.03 0.00 -0.52 0.00 0.00 55.73 53.66 2py2 s ARG 14 Cb 0.00 -0.82 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 2py2 s ARG 14 CO 0.00 0.06 -0.18 0.00 0.02 0.00 0.00 175.30 175.20 2py2 s PHE 16 N -0.14 2.28 -0.07 0.00 0.08 0.11 -1.33 117.98 118.90 2py2 s PHE 16 Ca -0.02 -0.37 -0.05 0.00 0.12 0.00 0.00 56.93 56.61 2py2 s PHE 16 Cb -0.14 -1.15 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 2py2 s PHE 16 CO 0.04 0.46 0.17 -1.17 -0.10 0.00 0.00 175.22 174.61 2py2 s LEU 17 N -2.54 1.10 -0.21 -0.37 2.96 -0.40 -0.66 118.68 118.56 2py2 s LEU 17 Ca 0.19 0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 54.29 2py2 s LEU 17 Cb -0.08 0.52 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 2py2 s LEU 17 CO 0.09 -0.09 0.34 0.12 -1.32 0.00 0.00 176.35 175.49 2py2 s PHE 18 N 0.50 3.36 -0.39 5.38 5.36 -1.26 -0.53 117.98 130.40 2py2 s PHE 18 Ca -0.03 0.53 -0.09 0.00 -0.96 0.00 0.00 56.93 56.37 2py2 s PHE 18 Cb -0.05 -2.46 0.06 0.00 -0.34 0.00 0.00 43.02 40.22 2py2 s PHE 18 CO -0.02 0.01 0.21 1.21 -1.46 0.00 0.00 175.22 175.17 2py2 s ASN 19 N 1.04 5.59 0.55 6.13 2.47 0.31 -4.97 114.94 126.06 2py2 s ASN 19 Ca 0.16 -1.30 0.33 0.00 0.42 0.00 0.00 52.86 52.47 2py2 s ASN 19 Cb -0.14 -1.97 1.50 0.00 -1.45 0.00 0.00 41.25 39.19 2py2 s ASN 19 CO 0.07 -0.46 2.04 1.55 -3.72 0.00 0.00 177.10 176.59 2py2 h PRO 20 N 8.37 0.00 -6.87 0.43 0.13 -1.96 -1.26 132.00 130.85 2py2 h PRO 20 Ca -0.23 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.36 2py2 h PRO 20 Cb 1.09 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.31 2py2 h PRO 20 CO 0.70 0.05 0.82 -1.17 -0.23 0.00 0.00 178.00 178.16 2py2 s LEU 21 N -6.40 4.34 -0.53 1.56 2.96 -1.26 -4.53 118.68 114.82 2py2 s LEU 21 Ca -0.01 2.96 -0.28 0.00 -0.22 0.00 0.00 54.13 56.58 2py2 s LEU 21 Cb 0.10 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 43.17 2py2 s LEU 21 CO 0.54 -0.86 1.15 -1.10 -1.32 0.00 0.00 176.35 174.76 2py2 s GLN 22 N -1.27 3.61 0.09 1.98 -1.52 -1.26 -3.96 119.66 117.33 2py2 s GLN 22 Ca 0.57 0.38 0.02 0.00 -1.95 0.00 0.00 55.36 54.39 2py2 s GLN 22 Cb -0.46 -3.96 -0.04 0.00 -0.22 0.00 0.00 33.01 28.33 2py2 s GLN 22 CO 0.55 -1.52 -0.07 -0.51 -0.25 0.00 0.00 175.29 173.49 2py2 s LEU 23 N 4.65 2.46 0.83 2.90 1.43 -0.78 -4.71 118.68 125.47 2py2 s LEU 23 Ca 0.45 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 2py2 s LEU 23 Cb -0.07 -0.10 0.09 0.00 0.03 0.00 0.00 46.19 46.14 2py2 s LEU 23 CO 0.28 -0.41 1.16 -1.38 0.23 0.00 0.00 176.35 176.23 2py2 s HIS 24 N -3.18 2.83 0.20 0.29 -3.43 -1.26 -1.22 115.29 109.53 2py2 s HIS 24 Ca 0.08 0.82 -0.12 0.00 -0.80 0.00 0.00 55.06 55.03 2py2 s HIS 24 Cb 0.02 -3.42 0.24 0.00 -1.43 0.00 0.00 32.58 27.99 2py2 s HIS 24 CO -0.04 -1.92 1.67 2.35 -2.00 0.00 0.00 174.74 174.80 2py2 h TRP 25 N -1.17 -0.06 -0.53 0.38 7.01 -1.28 -0.25 115.95 120.04 2py2 h TRP 25 Ca -0.47 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.53 2py2 h TRP 25 Cb 1.32 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.47 2py2 h TRP 25 CO 0.32 -0.15 0.20 0.00 -2.79 0.00 0.00 178.44 176.02 2py2 h ALA 26 N 1.51 0.70 -0.35 2.65 0.00 -1.93 -0.28 119.26 121.56 2py2 h ALA 26 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2py2 h ALA 26 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2py2 h ALA 26 CO -0.49 0.32 -0.05 -0.44 0.00 0.00 0.00 179.25 178.59 2py2 h ASP 27 N 0.73 0.54 -0.34 0.00 3.32 -1.79 0.77 116.42 119.65 2py2 h ASP 27 Ca 0.18 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2py2 h ASP 27 Cb 0.22 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2py2 h ASP 27 CO -0.01 0.64 0.08 0.00 -1.72 0.00 0.00 179.24 178.23 2py2 h ALA 28 N 1.42 0.44 -0.56 3.45 0.00 -0.60 -0.27 119.26 123.15 2py2 h ALA 28 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2py2 h ALA 28 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2py2 h ALA 28 CO 0.02 0.11 0.14 0.37 0.00 0.00 0.00 179.25 179.89 2py2 h GLN 29 N 0.39 0.89 -0.83 0.00 5.75 -0.69 -1.96 115.11 118.66 2py2 h GLN 29 Ca 0.11 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 2py2 h GLN 29 Cb 0.30 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 2py2 h GLN 29 CO 0.00 0.83 0.44 0.93 -2.65 0.00 0.00 178.83 178.39 2py2 h GLU 30 N 0.79 1.16 -0.60 1.69 5.08 -0.69 -1.15 114.58 120.87 2py2 h GLU 30 Ca 0.18 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2py2 h GLU 30 Cb 0.34 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2py2 h GLU 30 CO 0.00 0.86 0.30 1.03 -1.00 0.00 0.00 179.01 180.21 2py2 h SER 31 N 1.16 0.77 -0.80 1.42 0.87 -0.73 -2.43 113.55 113.82 2py2 h SER 31 Ca 0.29 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 2py2 h SER 31 Cb 0.05 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2py2 h SER 31 CO -0.04 0.67 0.31 0.00 -0.53 0.00 0.00 176.83 177.23 2py2 h MET 33 N 1.16 0.05 0.00 0.00 2.07 -0.76 -0.40 114.93 117.05 2py2 h MET 33 Ca 0.26 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.88 2py2 h MET 33 Cb 0.23 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.95 2py2 h MET 33 CO -0.02 0.11 -0.03 0.87 1.07 0.00 0.00 176.91 178.91 2py2 h LYS 34 N 0.05 0.00 -0.44 1.72 1.57 -1.15 -0.59 116.57 117.73 2py2 h LYS 34 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2py2 h LYS 34 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2py2 h LYS 34 CO 0.01 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 2py2 n GLU 35 N -3.64 4.03 -1.86 3.15 -0.58 -0.41 -4.92 120.64 116.42 2py2 n GLU 35 Ca -0.03 -3.03 -0.14 0.00 -0.42 0.00 0.00 57.16 53.55 2py2 n GLU 35 Cb 0.13 -2.09 -0.03 0.00 -0.57 0.00 0.00 31.44 28.88 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 0.11 0.56 3.11 0.62 0.00 -0.23 -5.00 105.19 104.37 2py2 n GLY 36 Ca 0.25 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.31 0.37 -2.18 4.61 0.00 -0.30 -4.83 120.51 117.88 2py2 n ALA 37 Ca -0.15 -1.95 -0.11 0.00 0.00 0.00 0.00 53.44 51.23 2py2 n ALA 37 Cb 0.54 1.07 -0.10 0.00 0.00 0.00 0.00 19.45 20.97 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 -3.39 1.10 0.45 0.00 0.01 -0.66 -2.86 114.94 109.59 2py2 s ASN 38 Ca 0.01 -1.05 -0.25 0.00 -0.71 0.00 0.00 52.86 50.85 2py2 s ASN 38 Cb 0.00 0.11 -0.08 0.00 0.41 0.00 0.00 41.25 41.69 2py2 s ASN 38 CO 0.00 -0.50 1.39 -0.76 -1.51 0.00 0.00 177.10 175.72 2py2 s LEU 39 N -3.07 4.12 0.56 0.60 1.43 -1.26 -0.69 118.68 120.37 2py2 s LEU 39 Ca 0.15 2.84 -0.19 0.00 -1.03 0.00 0.00 54.13 55.90 2py2 s LEU 39 Cb 0.06 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 2py2 s LEU 39 CO -0.03 -1.12 1.18 0.00 0.23 0.00 0.00 176.35 176.61 2py2 s ALA 40 N -1.23 2.65 0.11 4.21 0.00 0.15 -3.86 121.76 123.80 2py2 s ALA 40 Ca 0.61 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.57 2py2 s ALA 40 Cb -0.42 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2py2 s ALA 40 CO 0.54 -0.98 0.00 -1.54 0.00 0.00 0.00 175.76 173.79 2py2 s SER 41 N -1.62 4.98 -0.07 0.00 1.04 -1.26 -0.44 113.70 116.33 2py2 s SER 41 Ca 0.74 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.98 2py2 s SER 41 Cb -0.28 -1.16 0.01 0.00 0.10 0.00 0.00 66.02 64.69 2py2 s SER 41 CO 0.31 0.16 -0.14 -0.63 0.98 0.00 0.00 173.24 173.92 2py2 s ILE 42 N -1.40 1.29 -0.06 -1.02 1.01 -1.26 -5.04 121.20 114.72 2py2 s ILE 42 Ca 0.26 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2py2 s ILE 42 Cb -0.11 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2py2 s ILE 42 CO 0.18 0.39 0.67 1.41 0.00 0.00 0.00 174.94 177.60 2py2 n HIS 43 N 3.79 0.01 -3.66 3.97 8.25 -1.26 -4.55 115.22 121.78 2py2 n HIS 43 Ca -0.22 -0.16 -0.06 0.00 -0.26 0.00 0.00 57.72 57.02 2py2 n HIS 43 Cb 0.52 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.35 -0.28 0.29 0.41 1.04 -1.26 -4.58 113.70 108.97 2py2 s SER 44 Ca 0.01 -0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 2py2 s SER 44 Cb 0.01 0.49 0.42 0.00 0.10 0.00 0.00 66.02 67.04 2py2 s SER 44 CO 0.01 -0.87 1.82 0.25 0.98 0.00 0.00 173.24 175.43 2py2 h LEU 45 N 2.00 0.72 -0.61 2.42 5.85 -1.98 -0.32 115.31 123.39 2py2 h LEU 45 Ca -0.24 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2py2 h LEU 45 Cb 1.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2py2 h LEU 45 CO 0.28 0.74 0.35 -0.33 -0.34 0.00 0.00 178.44 179.14 2py2 h GLU 46 N 0.74 0.85 -0.45 1.25 3.07 -1.99 -0.03 114.58 118.00 2py2 h GLU 46 Ca 0.16 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 2py2 h GLU 46 Cb 0.33 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2py2 h GLU 46 CO 0.00 0.63 -0.27 1.49 -1.40 0.00 0.00 179.01 179.47 2py2 h GLU 47 N 0.83 0.98 -0.63 2.33 4.81 -1.84 -1.86 114.58 119.20 2py2 h GLU 47 Ca 0.22 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2py2 h GLU 47 Cb 0.02 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2py2 h GLU 47 CO -0.04 1.12 0.42 1.03 -0.73 0.00 0.00 179.01 180.81 2py2 h SER 48 N 0.83 0.72 -0.53 1.04 0.87 -0.69 -0.78 113.55 115.01 2py2 h SER 48 Ca 0.10 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 2py2 h SER 48 Cb 0.85 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2py2 h SER 48 CO 0.08 0.52 0.00 0.74 -0.53 0.00 0.00 176.83 177.64 2py2 h THR 49 N 0.86 1.26 -0.26 2.23 2.02 -0.88 -1.35 112.91 116.80 2py2 h THR 49 Ca 0.23 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2py2 h THR 49 Cb -0.10 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2py2 h THR 49 CO -0.05 0.40 0.10 0.15 0.37 0.00 0.00 175.52 176.49 2py2 h PHE 50 N 0.90 0.39 -0.66 3.16 3.57 -0.79 -2.55 116.94 120.96 2py2 h PHE 50 Ca 0.16 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 2py2 h PHE 50 Cb 0.52 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2py2 h PHE 50 CO 0.03 0.40 0.08 -0.39 -2.23 0.00 0.00 178.31 176.21 2py2 h VAL 51 N 0.27 1.26 -0.38 1.41 -1.51 -1.02 -2.53 116.25 113.76 2py2 h VAL 51 Ca 0.09 -1.07 0.04 0.00 -1.23 0.00 0.00 66.70 64.53 2py2 h VAL 51 Cb 0.17 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 29.98 2py2 h VAL 51 CO -0.01 0.40 0.25 0.11 -1.23 0.00 0.00 177.57 177.10 2py2 h LYS 52 N 1.03 0.33 0.00 5.19 1.57 -1.10 0.71 116.57 124.30 2py2 h LYS 52 Ca 0.20 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2py2 h LYS 52 Cb 0.47 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2py2 h LYS 52 CO 0.02 0.22 -0.14 0.93 -0.57 0.00 0.00 179.45 179.90 2py2 h GLU 53 N 0.34 0.00 0.00 3.15 5.08 -1.02 -1.60 114.58 120.53 2py2 h GLU 53 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2py2 h GLU 53 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2py2 h GLU 53 CO -0.04 0.14 0.00 -0.07 -1.00 0.00 0.00 179.01 178.05 2py2 h LEU 54 N 0.00 0.00 -2.18 1.33 3.38 -0.85 -3.16 115.31 113.83 2py2 h LEU 54 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2py2 h LEU 54 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2py2 h LEU 54 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 2py2 n THR 55 N -2.87 1.24 -0.29 0.22 -2.24 -0.60 -4.77 114.28 104.98 2py2 n THR 55 Ca 0.03 -0.74 0.04 0.00 -2.27 0.00 0.00 64.05 61.11 2py2 n THR 55 Cb 0.42 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.54 -1.71 0.30 3.42 3.41 -1.20 -2.46 113.62 115.93 2py2 n SER 56 Ca 0.16 0.19 0.19 0.00 -0.26 0.00 0.00 58.87 59.15 2py2 n SER 56 Cb 0.64 -0.92 0.93 0.00 -0.26 0.00 0.00 64.21 64.61 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 -0.27 1.04 -0.00 7.33 0.00 -1.88 -1.47 119.26 124.00 2py2 h ALA 57 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2py2 h ALA 57 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2py2 h ALA 57 CO 0.01 0.02 -0.04 -0.25 0.00 0.00 0.00 179.25 178.99 2py2 n ASP 58 N -3.16 0.28 -3.67 0.00 10.43 -1.26 -4.97 116.55 114.20 2py2 n ASP 58 Ca -0.01 -0.60 -0.21 0.00 2.57 0.00 0.00 54.79 56.53 2py2 n ASP 58 Cb 0.19 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.04 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 -1.00 -2.73 -4.72 0.64 4.77 -0.55 -4.86 117.00 108.54 2py2 n LEU 59 Ca 0.17 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.91 2py2 n LEU 59 Cb 0.23 -1.94 -0.03 0.00 -2.33 0.00 0.00 43.42 39.36 2py2 n LEU 59 CO 0.22 0.13 1.12 -0.63 -1.33 0.00 0.00 177.39 176.90 2py2 s ILE 60 N -3.01 2.90 0.22 -0.08 1.01 -1.03 -4.87 121.20 116.35 2py2 s ILE 60 Ca 0.02 0.68 -0.32 0.00 0.00 0.00 0.00 60.65 61.03 2py2 s ILE 60 Cb -0.01 -3.44 -0.13 0.00 0.01 0.00 0.00 42.46 38.90 2py2 s ILE 60 CO 0.87 0.07 1.54 -2.65 0.00 0.00 0.00 174.94 174.77 2py2 n PRO 61 N 3.47 2.30 -3.89 2.79 -0.02 -1.25 -4.74 135.00 133.65 2py2 n PRO 61 Ca 0.11 0.82 -0.10 0.00 -2.02 0.00 0.00 63.50 62.31 2py2 n PRO 61 Cb 0.40 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.22 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 0.62 0.09 0.26 2.55 0.01 -0.79 -3.78 113.70 112.66 2py2 s SER 62 Ca 0.71 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.34 2py2 s SER 62 Cb -0.61 0.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.74 2py2 s SER 62 CO 0.44 -0.42 1.01 0.26 0.41 0.00 0.00 173.24 174.93 2py2 s TRP 63 N -1.84 3.79 0.43 2.43 0.23 0.10 0.01 118.94 124.10 2py2 s TRP 63 Ca -0.11 1.82 0.04 0.00 -2.03 0.00 0.00 56.10 55.81 2py2 s TRP 63 Cb -0.05 -3.10 -0.04 0.00 0.03 0.00 0.00 33.47 30.30 2py2 s TRP 63 CO -0.01 0.01 0.04 0.96 0.96 0.00 0.00 176.95 178.91 2py2 s ILE 64 N -1.21 1.28 -0.18 2.03 -4.36 -0.79 -1.98 121.20 115.99 2py2 s ILE 64 Ca 0.43 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2py2 s ILE 64 Cb -0.28 -2.53 0.17 0.00 1.25 0.00 0.00 42.46 41.07 2py2 s ILE 64 CO 0.35 0.00 1.72 0.61 0.24 0.00 0.00 174.94 177.87 2py2 n GLY 65 N -1.02 3.26 3.50 6.27 0.00 0.41 -4.54 105.19 113.08 2py2 n GLY 65 Ca -0.10 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 0.58 1.63 0.11 -0.02 0.00 -1.26 -1.43 107.32 106.93 2py2 s GLY 66 Ca 0.20 -1.15 -0.22 0.00 0.00 0.00 0.00 44.72 43.55 2py2 s GLY 66 CO 0.01 -1.03 0.55 -0.51 0.00 0.00 0.00 173.10 172.12 2py2 s THR 67 N -0.96 0.02 -0.28 0.90 -4.23 -0.78 -0.92 115.64 109.39 2py2 s THR 67 Ca 0.16 -0.16 0.13 0.00 -1.18 0.00 0.00 61.69 60.63 2py2 s THR 67 Cb -0.11 -1.03 0.48 0.00 1.34 0.00 0.00 72.50 73.19 2py2 s THR 67 CO 0.06 -0.09 1.16 -0.90 -0.54 0.00 0.00 174.62 174.31 2py2 n ASP 68 N -0.05 3.62 0.13 3.99 5.75 -0.75 -1.59 116.55 127.65 2py2 n ASP 68 Ca -0.17 -3.08 0.13 0.00 -0.01 0.00 0.00 54.79 51.65 2py2 n ASP 68 Cb 0.63 -0.40 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 -4.37 0.00 7.50 -1.89 -3.46 115.11 112.88 2py2 h GLN 70 Ca 0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 2py2 h GLN 70 Cb 0.51 0.00 -0.36 0.00 0.05 0.00 0.00 27.48 27.68 2py2 h GLN 70 CO 0.00 0.00 -0.81 0.08 -1.50 0.00 0.00 178.83 176.60 2py2 s VAL 71 N -1.86 1.16 0.22 -0.54 1.01 -1.25 -5.11 120.40 114.04 2py2 s VAL 71 Ca -0.07 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 2py2 s VAL 71 Cb 0.01 -1.14 -0.15 0.00 0.00 0.00 0.00 36.38 35.10 2py2 s VAL 71 CO 0.11 0.39 1.09 -0.24 0.00 0.00 0.00 175.10 176.45 2py2 n SER 72 N 4.72 1.30 0.00 3.32 2.88 -1.25 -1.61 113.62 122.98 2py2 n SER 72 Ca -0.15 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2py2 n SER 72 Cb 0.50 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 0.98 0.00 -3.43 2.46 -2.24 -1.26 -4.98 114.28 105.80 2py2 n THR 73 Ca 0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 2py2 n THR 73 Cb 0.28 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.08 2.74 -0.02 -0.78 1.81 -0.64 -5.06 118.95 116.93 2py2 s ARG 74 Ca 0.00 -1.71 -0.19 0.00 -1.72 0.00 0.00 55.73 52.10 2py2 s ARG 74 Cb 0.00 -4.10 -0.05 0.00 -0.45 0.00 0.00 34.95 30.34 2py2 s ARG 74 CO 0.00 -1.24 0.55 -1.58 -0.68 0.00 0.00 175.30 172.35 2py2 s TRP 75 N 1.49 3.67 0.04 -0.53 0.52 -1.26 -4.28 118.94 118.58 2py2 s TRP 75 Ca 0.04 1.13 0.03 0.00 0.02 0.00 0.00 56.10 57.31 2py2 s TRP 75 Cb -0.28 -2.55 -0.02 0.00 -1.15 0.00 0.00 33.47 29.47 2py2 s TRP 75 CO 0.01 0.37 -0.09 -0.06 0.02 0.00 0.00 176.95 177.21 2py2 s PHE 76 N -0.22 0.75 0.06 -1.98 0.08 -0.62 -4.81 117.98 111.24 2py2 s PHE 76 Ca 0.29 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 2py2 s PHE 76 Cb -0.18 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.79 2py2 s PHE 76 CO 0.16 -0.05 0.24 -1.58 -0.10 0.00 0.00 175.22 173.88 2py2 s TRP 77 N -1.21 3.52 -0.25 0.36 0.23 -1.26 -1.87 118.94 118.46 2py2 s TRP 77 Ca -0.07 0.34 0.28 0.00 -2.03 0.00 0.00 56.10 54.62 2py2 s TRP 77 Cb -0.09 -1.83 0.95 0.00 0.03 0.00 0.00 33.47 32.53 2py2 s TRP 77 CO 0.01 0.58 1.81 0.52 0.96 0.00 0.00 176.95 180.82 2py2 h MET 78 N 3.22 0.00 -0.57 4.98 2.86 -1.53 -2.95 114.93 120.93 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 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2py2 h MET 78 CO 0.74 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.31 2py2 n ASP 79 N -2.84 3.22 0.00 1.22 5.68 -1.26 -4.93 116.55 117.64 2py2 n ASP 79 Ca 0.02 -2.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 2py2 n ASP 79 Cb 0.37 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.87 -4.02 -4.77 -1.12 3.41 -1.12 -5.00 113.62 101.87 2py2 n SER 80 Ca 0.18 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.50 2py2 n SER 80 Cb 0.57 -2.47 0.13 0.00 -0.26 0.00 0.00 64.21 62.19 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 -1.40 2.19 0.42 6.66 -4.23 -1.26 -4.98 115.64 113.03 2py2 s THR 81 Ca 0.00 0.06 -0.22 0.00 -1.18 0.00 0.00 61.69 60.35 2py2 s THR 81 Cb 0.00 -2.77 -0.10 0.00 1.34 0.00 0.00 72.50 70.97 2py2 s THR 81 CO 0.00 -0.08 0.96 -0.55 -0.54 0.00 0.00 174.62 174.41 2py2 s SER 82 N -3.92 6.91 -1.14 3.99 0.15 -1.26 -4.41 113.70 114.03 2py2 s SER 82 Ca 0.64 1.76 -0.16 0.00 0.70 0.00 0.00 55.95 58.88 2py2 s SER 82 Cb -0.15 -2.55 0.13 0.00 -1.71 0.00 0.00 66.02 61.74 2py2 s SER 82 CO 0.54 -0.38 1.41 -0.04 1.20 0.00 0.00 173.24 175.98 2py2 s MET 83 N -2.99 3.91 0.00 5.44 -1.94 -1.26 -4.70 119.30 117.76 2py2 s MET 83 Ca 0.61 -2.17 0.07 0.00 -1.71 0.00 0.00 55.69 52.49 2py2 s MET 83 Cb -0.12 -5.13 0.17 0.00 2.01 0.00 0.00 34.83 31.76 2py2 s MET 83 CO 0.16 -1.89 1.07 -0.40 -0.01 0.00 0.00 175.02 173.95 2py2 n ASP 84 N 6.60 2.40 -3.66 3.03 5.68 -1.26 -5.01 116.55 124.32 2py2 n ASP 84 Ca 0.35 -1.84 -0.15 0.00 -0.50 0.00 0.00 54.79 52.65 2py2 n ASP 84 Cb 0.46 -0.12 -0.08 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.91 -0.49 -0.04 2.11 5.04 -1.26 -4.96 117.35 116.84 2py2 s TYR 85 Ca 0.14 1.02 -0.13 0.00 -2.44 0.00 0.00 57.07 55.66 2py2 s TYR 85 Cb 0.08 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.64 2py2 s TYR 85 CO 0.10 -0.40 0.30 0.00 -1.34 0.00 0.00 175.55 174.21 2py2 s ALA 86 N -0.57 -0.76 -0.39 3.97 0.00 -1.26 -4.89 121.76 117.86 2py2 s ALA 86 Ca -0.07 0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.44 2py2 s ALA 86 Cb -0.03 -0.07 0.44 0.00 0.00 0.00 0.00 23.12 23.45 2py2 s ALA 86 CO 0.04 -0.23 1.04 -3.47 0.00 0.00 0.00 175.76 173.14 2py2 n ASP 87 N 1.69 3.30 -4.77 0.00 2.03 -1.26 -5.09 116.55 112.45 2py2 n ASP 87 Ca -0.20 -3.29 -0.41 0.00 0.52 0.00 0.00 54.79 51.42 2py2 n ASP 87 Cb 0.56 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -3.36 2.64 1.13 -0.67 0.52 -1.26 -0.73 118.94 117.21 2py2 s TRP 88 Ca 0.39 1.25 -0.15 0.00 0.02 0.00 0.00 56.10 57.61 2py2 s TRP 88 Cb 0.42 -3.92 0.25 0.00 -1.15 0.00 0.00 33.47 29.08 2py2 s TRP 88 CO -0.09 -2.74 1.07 0.00 0.02 0.00 0.00 176.95 175.21 2py2 s ALA 90 N -2.84 3.65 0.00 0.00 0.00 -1.26 -1.92 121.76 119.39 2py2 s ALA 90 Ca 0.68 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.93 2py2 s ALA 90 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2py2 s ALA 90 CO 0.58 -0.72 0.00 0.00 0.00 0.00 0.00 175.76 175.63 2py2 n ALA 91 N 2.94 0.00 -2.87 0.00 0.00 -1.26 -5.03 120.51 114.29 2py2 n ALA 91 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.26 2py2 n ALA 91 Cb 0.40 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.05 3.18 0.49 0.00 -1.52 -0.81 -4.45 119.66 116.50 2py2 s GLN 92 Ca 0.00 -0.72 -0.02 0.00 -1.95 0.00 0.00 55.36 52.67 2py2 s GLN 92 Cb 0.00 -2.82 -0.01 0.00 -0.22 0.00 0.00 33.01 29.96 2py2 s GLN 92 CO 0.00 0.51 0.74 -1.25 -0.25 0.00 0.00 175.29 175.04 2py2 s PRO 93 N -3.12 3.14 0.16 2.91 0.04 -1.26 -4.72 135.00 132.15 2py2 s PRO 93 Ca 0.33 -0.22 0.06 0.00 0.04 0.00 0.00 61.00 61.21 2py2 s PRO 93 Cb -0.11 -2.45 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 2py2 s PRO 93 CO 0.26 -0.34 1.36 -0.44 0.04 0.00 0.00 177.00 177.88 2py2 h ASP 94 N 0.24 0.07 0.00 6.66 3.32 -1.90 -3.48 116.42 121.34 2py2 h ASP 94 Ca -0.46 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2py2 h ASP 94 Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2py2 h ASP 94 CO 0.59 0.94 0.00 0.35 -1.72 0.00 0.00 179.24 179.41 2py2 n THR 95 N -3.51 0.00 -2.49 0.35 -2.24 -1.26 -5.00 114.28 100.13 2py2 n THR 95 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2py2 n THR 95 Cb 0.85 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.66 3.65 0.54 4.28 2.01 -1.26 -4.43 115.64 118.76 2py2 s THR 96 Ca 0.00 1.55 0.32 0.00 0.31 0.00 0.00 61.69 63.86 2py2 s THR 96 Cb 0.00 -3.98 0.36 0.00 0.01 0.00 0.00 72.50 68.88 2py2 s THR 96 CO 0.00 0.32 2.22 -0.07 -0.69 0.00 0.00 174.62 176.40 2py2 h LEU 97 N 4.42 0.00 -0.23 4.42 3.38 -1.94 -2.01 115.31 123.34 2py2 h LEU 97 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2py2 h LEU 97 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2py2 h LEU 97 CO 0.70 0.03 0.00 0.35 0.09 0.00 0.00 178.44 179.61 2py2 n THR 98 N -3.63 0.71 -3.19 0.22 -2.24 -1.26 -3.72 114.28 101.17 2py2 n THR 98 Ca -0.03 0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 2py2 n THR 98 Cb 0.13 -0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 67.39 2py2 n THR 98 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2py2 n GLU 99 N -1.87 0.68 -0.22 -0.78 0.28 -0.76 -3.99 120.64 113.98 2py2 n GLU 99 Ca 0.04 -3.17 0.08 0.00 -0.16 0.00 0.00 57.16 53.95 2py2 n GLU 99 Cb 0.26 -1.25 0.20 0.00 1.43 0.00 0.00 31.44 32.08 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 -0.92 4.92 -0.11 0.00 1.01 -0.09 -0.13 121.20 125.88 2py2 s ILE 102 Ca 0.14 1.57 -0.00 0.00 0.00 0.00 0.00 60.65 62.36 2py2 s ILE 102 Cb -0.11 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2py2 s ILE 102 CO 0.03 0.07 -0.10 -1.58 0.00 0.00 0.00 174.94 173.36 2py2 s GLN 103 N 1.91 3.16 0.46 2.79 0.74 -0.84 -1.89 119.66 125.99 2py2 s GLN 103 Ca 0.38 -0.62 0.08 0.00 0.05 0.00 0.00 55.36 55.24 2py2 s GLN 103 Cb -0.17 -2.64 0.01 0.00 1.10 0.00 0.00 33.01 31.31 2py2 s GLN 103 CO 0.13 0.38 0.48 0.00 -0.55 0.00 0.00 175.29 175.73 2py2 s MET 104 N -0.08 2.53 -1.57 1.67 0.23 0.10 -1.65 119.30 120.53 2py2 s MET 104 Ca -0.01 -1.55 -0.02 0.00 -1.03 0.00 0.00 55.69 53.07 2py2 s MET 104 Cb -0.14 -2.45 0.00 0.00 -1.53 0.00 0.00 34.83 30.71 2py2 s MET 104 CO 0.03 -0.36 0.31 0.09 -2.03 0.00 0.00 175.02 173.07 2py2 n ASN 105 N -1.73 -5.77 -4.77 -1.18 5.03 -1.11 -1.89 115.26 103.84 2py2 n ASN 105 Ca 0.05 -0.15 -0.38 0.00 0.87 0.00 0.00 54.58 54.97 2py2 n ASN 105 Cb 0.61 -4.69 -0.06 0.00 -1.02 0.00 0.00 39.78 34.63 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 -3.07 4.99 0.10 2.41 1.01 0.08 -3.94 120.40 121.98 2py2 s VAL 106 Ca 0.15 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2py2 s VAL 106 Cb -0.07 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2py2 s VAL 106 CO 0.19 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2py2 n GLY 107 N 2.53 -1.92 0.22 4.51 0.00 -1.26 -2.16 105.19 107.11 2py2 n GLY 107 Ca -0.08 -1.32 0.06 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 -0.40 1.02 0.00 -0.61 3.07 -2.00 -2.21 117.51 116.38 2py2 h ILE 108 Ca 0.01 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.62 2py2 h ILE 108 Cb 0.40 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2py2 h ILE 108 CO 0.00 0.22 0.00 0.61 -1.05 0.00 0.00 178.15 177.93 2py2 n GLY 109 N -0.75 -1.54 3.59 0.16 0.00 -1.26 -4.93 105.19 100.45 2py2 n GLY 109 Ca -0.02 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.27 -4.29 -3.16 1.61 4.76 -0.83 -4.95 118.16 109.03 2py2 n LYS 110 Ca 0.04 0.67 -0.14 0.00 -2.87 0.00 0.00 58.31 56.01 2py2 n LYS 110 Cb 0.35 -5.25 -0.03 0.00 -1.84 0.00 0.00 35.03 28.26 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 -1.79 3.56 -0.12 0.00 0.52 0.09 -0.74 118.94 120.46 2py2 s TRP 112 Ca 0.01 1.22 -0.07 0.00 0.02 0.00 0.00 56.10 57.27 2py2 s TRP 112 Cb -0.00 -2.50 0.05 0.00 -1.15 0.00 0.00 33.47 29.87 2py2 s TRP 112 CO 0.00 0.30 0.29 1.21 0.02 0.00 0.00 176.95 178.78 2py2 s ASN 113 N -1.87 -0.34 0.08 2.95 3.84 -0.66 -0.65 114.94 118.30 2py2 s ASN 113 Ca 0.44 0.63 -0.30 0.00 0.21 0.00 0.00 52.86 53.84 2py2 s ASN 113 Cb -0.14 0.53 -0.05 0.00 -0.55 0.00 0.00 41.25 41.03 2py2 s ASN 113 CO 0.20 -0.16 1.01 1.51 -2.79 0.00 0.00 177.10 176.86 2py2 s ASP 114 N 1.16 7.39 0.14 -4.21 -4.77 -1.26 -1.98 116.67 113.13 2py2 s ASP 114 Ca -0.08 1.82 0.01 0.00 -3.30 0.00 0.00 52.55 50.99 2py2 s ASP 114 Cb -0.09 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 2py2 s ASP 114 CO -0.09 -0.19 -0.01 0.42 0.70 0.00 0.00 175.17 176.01 2py2 s THR 115 N 0.38 0.56 0.01 2.11 -4.23 0.82 -4.80 115.64 110.48 2py2 s THR 115 Ca 0.50 -1.95 -0.35 0.00 -1.18 0.00 0.00 61.69 58.72 2py2 s THR 115 Cb -0.24 -1.97 -0.13 0.00 1.34 0.00 0.00 72.50 71.50 2py2 s THR 115 CO 0.30 -0.60 1.72 -2.65 -0.54 0.00 0.00 174.62 172.85 2py2 n PRO 116 N -0.15 2.04 0.29 3.99 -0.02 -1.26 -2.40 135.00 137.49 2py2 n PRO 116 Ca -0.08 0.74 0.19 0.00 -2.02 0.00 0.00 63.50 62.34 2py2 n PRO 116 Cb 0.63 -2.54 1.01 0.00 -0.02 0.00 0.00 33.50 32.58 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 -2.85 0.00 -2.21 0.00 -2.24 -1.26 -1.14 114.28 104.57 2py2 n THR 118 Ca -0.02 -0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2py2 n THR 118 Cb 0.08 -0.47 -0.00 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 -2.90 2.75 -0.18 4.78 4.02 -0.66 -4.66 115.29 118.45 2py2 s HIS 119 Ca 0.17 1.53 -0.16 0.00 1.02 0.00 0.00 55.06 57.62 2py2 s HIS 119 Cb 0.19 -3.39 -0.04 0.00 -1.02 0.00 0.00 32.58 28.32 2py2 s HIS 119 CO 0.52 -1.66 0.39 -0.51 1.02 0.00 0.00 174.74 174.50 2py2 s LEU 120 N -3.33 4.20 0.16 0.89 2.01 -1.26 -4.00 118.68 117.35 2py2 s LEU 120 Ca 0.67 0.57 -0.11 0.00 0.01 0.00 0.00 54.13 55.27 2py2 s LEU 120 Cb -0.28 -2.52 0.00 0.00 0.01 0.00 0.00 46.19 43.40 2py2 s LEU 120 CO 0.33 -0.02 0.33 -1.00 1.01 0.00 0.00 176.35 177.00 2py2 s HIS 121 N 0.99 0.20 1.17 0.29 3.76 -0.35 -4.72 115.29 116.62 2py2 s HIS 121 Ca 0.20 -0.57 -0.18 0.00 -0.15 0.00 0.00 55.06 54.36 2py2 s HIS 121 Cb -0.14 0.07 0.27 0.00 1.11 0.00 0.00 32.58 33.89 2py2 s HIS 121 CO 0.07 -0.74 1.12 -1.12 -0.85 0.00 0.00 174.74 173.23 2py2 s SER 122 N -2.92 1.22 0.18 1.40 0.01 -1.25 -1.86 113.70 110.48 2py2 s SER 122 Ca 0.13 0.65 -0.16 0.00 1.31 0.00 0.00 55.95 57.88 2py2 s SER 122 Cb 0.02 -0.92 0.02 0.00 0.21 0.00 0.00 66.02 65.35 2py2 s SER 122 CO -0.03 -3.94 0.46 -0.94 0.41 0.00 0.00 173.24 169.20 2py2 s SER 123 N -3.92 -0.19 -0.15 2.44 1.04 -0.47 -0.72 113.70 111.72 2py2 s SER 123 Ca 0.71 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 56.60 2py2 s SER 123 Cb -0.10 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 2py2 s SER 123 CO 0.56 -0.99 -0.14 -0.63 0.98 0.00 0.00 173.24 173.01 2py2 s ILE 124 N -3.88 2.79 0.20 -1.02 -1.09 -0.84 -0.53 121.20 116.83 2py2 s ILE 124 Ca 0.10 -0.73 0.07 0.00 -2.23 0.00 0.00 60.65 57.86 2py2 s ILE 124 Cb 0.00 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 2py2 s ILE 124 CO -0.04 0.51 0.08 0.00 -1.23 0.00 0.00 174.94 174.26 2py2 s ALA 126 N -1.92 -1.24 0.03 0.00 0.00 0.13 -1.28 121.76 117.48 2py2 s ALA 126 Ca 0.30 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 2py2 s ALA 126 Cb -0.09 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.14 2py2 s ALA 126 CO 0.21 -0.32 0.51 -1.59 0.00 0.00 0.00 175.76 174.57 2py2 s LYS 127 N -1.33 1.00 0.71 0.00 -2.85 -0.45 -1.65 119.74 115.17 2py2 s LYS 127 Ca -0.12 -0.20 -0.16 0.00 -1.00 0.00 0.00 55.97 54.50 2py2 s LYS 127 Cb -0.03 0.45 0.03 0.00 -2.06 0.00 0.00 37.83 36.22 2py2 s LYS 127 CO 0.06 -0.35 1.22 -1.25 0.10 0.00 0.00 175.35 175.14 2py2 s PRO 128 N -2.24 2.25 0.09 1.78 0.04 -1.26 -0.05 135.00 135.62 2py2 s PRO 128 Ca -0.06 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 2py2 s PRO 128 Cb -0.01 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2py2 s PRO 128 CO -0.00 -1.76 0.99 -1.17 0.04 0.00 0.00 177.00 175.10 2py2 s LEU 129 N -4.96 4.46 0.00 -3.56 2.96 -0.54 -4.63 118.68 112.41 2py2 s LEU 129 Ca 0.76 1.81 0.25 0.00 -0.22 0.00 0.00 54.13 56.73 2py2 s LEU 129 Cb -0.31 -3.59 0.48 0.00 0.50 0.00 0.00 46.19 43.28 2py2 s LEU 129 CO 0.44 -0.14 1.42 0.29 -1.32 0.00 0.00 176.35 177.04