#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh h SER 2 N 0.00 0.20 -3.30 1.61 0.02 -1.97 -3.48 113.55 106.63 2dbh h SER 2 Ca 0.00 -0.42 -0.41 0.00 -0.84 0.00 0.00 61.79 60.12 2dbh h SER 2 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2dbh h SER 2 CO 0.00 1.38 -0.55 -1.20 -1.14 0.00 0.00 176.83 175.32 2dbh n SER 3 N -3.26 -5.91 0.00 3.07 7.64 -1.26 -4.76 113.62 109.14 2dbh n SER 3 Ca -0.22 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2dbh n SER 3 Cb 1.05 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 2dbh n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbh n GLY 4 N -1.14 1.25 2.92 0.23 0.00 -1.26 -5.14 105.19 102.04 2dbh n GLY 4 Ca -0.21 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 43.70 2dbh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 5 N 0.00 -7.88 -3.33 1.61 2.88 -1.26 -4.79 113.62 100.85 2dbh n SER 5 Ca 0.00 1.14 -0.23 0.00 -1.33 0.00 0.00 58.87 58.46 2dbh n SER 5 Cb 0.00 -3.21 -0.09 0.00 -0.75 0.00 0.00 64.21 60.16 2dbh n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbh s SER 6 N -6.32 1.38 0.99 -3.46 0.15 -1.26 -5.05 113.70 100.13 2dbh s SER 6 Ca 0.00 -2.42 -0.12 0.00 0.70 0.00 0.00 55.95 54.11 2dbh s SER 6 Cb 0.00 0.04 0.18 0.00 -1.71 0.00 0.00 66.02 64.54 2dbh s SER 6 CO 0.00 -0.21 1.08 -0.83 1.20 0.00 0.00 173.24 174.49 2dbh s GLY 7 N 0.66 1.59 -0.05 9.45 0.00 -1.26 -5.00 107.32 112.71 2dbh s GLY 7 Ca 0.26 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2dbh s GLY 7 CO -0.10 0.44 1.07 -1.26 0.00 0.00 0.00 173.10 173.25 2dbh n SER 8 N -4.23 -1.06 -1.43 1.64 2.88 -1.26 -4.94 113.62 105.22 2dbh n SER 8 Ca 0.06 -2.01 -0.05 0.00 -1.33 0.00 0.00 58.87 55.54 2dbh n SER 8 Cb 0.55 0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 64.35 2dbh n SER 8 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dbh n SER 9 N -0.25 -0.93 -3.87 -3.46 7.64 -1.26 -5.07 113.62 106.42 2dbh n SER 9 Ca -0.26 -2.05 -0.30 0.00 1.01 0.00 0.00 58.87 57.27 2dbh n SER 9 Cb 0.72 0.33 -0.15 0.00 -1.01 0.00 0.00 64.21 64.10 2dbh n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dbh s ALA 10 N -0.05 2.17 0.27 -0.43 0.00 -1.26 -5.10 121.76 117.36 2dbh s ALA 10 Ca 0.05 -2.06 -0.07 0.00 0.00 0.00 0.00 51.96 49.88 2dbh s ALA 10 Cb 0.13 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 2dbh s ALA 10 CO -0.04 -1.66 0.40 -0.51 0.00 0.00 0.00 175.76 173.95 2dbh s LEU 11 N 1.29 0.73 0.00 0.00 1.02 -1.23 -1.47 118.68 119.01 2dbh s LEU 11 Ca 0.10 -1.21 0.00 0.00 0.02 0.00 0.00 54.13 53.04 2dbh s LEU 11 Cb -0.18 1.38 0.00 0.00 0.02 0.00 0.00 46.19 47.41 2dbh s LEU 11 CO -0.17 -1.13 0.00 -0.24 0.02 0.00 0.00 176.35 174.83 2dbh n SER 12 N -0.71 0.00 -0.01 2.29 2.88 -1.26 -3.51 113.62 113.29 2dbh n SER 12 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2dbh n SER 12 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.04 2dbh n SER 12 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dbh h ARG 13 N 0.00 0.10 -1.18 -1.46 3.08 -1.95 -3.46 114.38 109.52 2dbh h ARG 13 Ca 0.00 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.23 2dbh h ARG 13 Cb 0.00 -0.02 -0.32 0.00 0.08 0.00 0.00 29.97 29.71 2dbh h ARG 13 CO 0.00 0.07 0.67 0.54 -1.07 0.00 0.00 179.97 180.18 2dbh s ASN 14 N -5.26 -0.16 0.00 7.04 4.22 -1.23 -5.13 114.94 114.42 2dbh s ASN 14 Ca -0.13 0.27 0.00 0.00 -2.14 0.00 0.00 52.86 50.86 2dbh s ASN 14 Cb 0.08 1.00 0.00 0.00 1.28 0.00 0.00 41.25 43.61 2dbh s ASN 14 CO 0.68 -0.04 0.00 0.61 -2.04 0.00 0.00 177.10 176.31 2dbh n GLY 15 N 3.10 -0.25 4.01 0.45 0.00 -1.26 -3.52 105.19 107.72 2dbh n GLY 15 Ca -0.17 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2dbh n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbh s SER 16 N -4.00 5.02 0.00 1.61 0.01 -0.54 -4.96 113.70 110.84 2dbh s SER 16 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2dbh s SER 16 Cb 0.00 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2dbh s SER 16 CO 0.00 -1.35 0.00 0.49 0.41 0.00 0.00 173.24 172.79 2dbh n PHE 17 N -2.36 0.00 -5.00 2.43 3.72 -1.11 -4.42 117.46 110.72 2dbh n PHE 17 Ca 0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.25 2dbh n PHE 17 Cb 0.60 0.02 -0.16 0.00 -0.94 0.00 0.00 39.48 39.01 2dbh n PHE 17 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2dbh s ILE 18 N -1.90 1.66 0.62 4.37 1.01 -1.22 -4.96 121.20 120.77 2dbh s ILE 18 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2dbh s ILE 18 Cb 0.00 -1.41 0.10 0.00 0.01 0.00 0.00 42.46 41.16 2dbh s ILE 18 CO 0.00 0.47 0.85 0.42 0.00 0.00 0.00 174.94 176.68 2dbh s THR 19 N -0.11 2.20 0.03 2.92 -4.23 -1.26 -4.95 115.64 110.24 2dbh s THR 19 Ca -0.02 -0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 59.54 2dbh s THR 19 Cb -0.12 -2.35 -0.32 0.00 1.34 0.00 0.00 72.50 71.06 2dbh s THR 19 CO 0.02 0.00 0.97 0.50 -0.54 0.00 0.00 174.62 175.57 2dbh h LYS 20 N -0.04 0.40 -0.61 3.99 3.64 -2.01 -3.23 116.57 118.71 2dbh h LYS 20 Ca -0.33 -0.69 -0.03 0.00 -1.27 0.00 0.00 60.65 58.34 2dbh h LYS 20 Cb 1.28 0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 2dbh h LYS 20 CO 0.41 1.31 0.27 1.49 -2.27 0.00 0.00 179.45 180.67 2dbh h GLU 21 N 0.11 0.87 -0.50 1.90 4.57 -2.00 -2.20 114.58 117.33 2dbh h GLU 21 Ca -0.23 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.73 2dbh h GLU 21 Cb 2.08 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 30.49 2dbh h GLU 21 CO 0.23 0.69 -0.07 -0.22 -1.18 0.00 0.00 179.01 178.45 2dbh h LYS 22 N 0.86 0.89 -0.07 1.92 3.64 -1.98 -2.61 116.57 119.23 2dbh h LYS 22 Ca 0.21 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2dbh h LYS 22 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2dbh h LYS 22 CO -0.02 0.93 -0.36 0.87 -2.27 0.00 0.00 179.45 178.60 2dbh h LYS 23 N 0.81 0.14 -0.15 1.90 1.57 -1.46 -2.81 116.57 116.57 2dbh h LYS 23 Ca 0.14 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2dbh h LYS 23 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2dbh h LYS 23 CO 0.04 0.48 -0.05 0.22 -0.57 0.00 0.00 179.45 179.57 2dbh h ASP 24 N 0.12 0.30 -0.12 0.86 3.58 -1.09 -2.08 116.42 117.98 2dbh h ASP 24 Ca 0.01 -0.39 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2dbh h ASP 24 Cb 0.70 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2dbh h ASP 24 CO 0.05 0.62 0.06 0.74 -2.88 0.00 0.00 179.24 177.84 2dbh h THR 25 N -0.03 1.05 0.14 2.25 2.02 -1.38 0.72 112.91 117.67 2dbh h THR 25 Ca 0.03 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2dbh h THR 25 Cb 0.50 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2dbh h THR 25 CO 0.02 0.06 -0.07 0.58 0.37 0.00 0.00 175.52 176.48 2dbh h VAL 26 N 0.19 0.99 0.00 3.16 2.07 -1.35 -3.17 116.25 118.14 2dbh h VAL 26 Ca 0.05 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2dbh h VAL 26 Cb 0.03 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2dbh h VAL 26 CO -0.01 0.24 -0.17 -0.07 0.02 0.00 0.00 177.57 177.58 2dbh h LEU 27 N -0.78 0.00 0.54 2.57 3.38 -1.16 -2.98 115.31 116.89 2dbh h LEU 27 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2dbh h LEU 27 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dbh h LEU 27 CO 0.03 0.17 -0.30 -0.09 0.09 0.00 0.00 178.44 178.34 2dbh h ARG 28 N 0.00 -0.76 -0.12 1.13 2.43 -0.87 0.77 114.38 116.96 2dbh h ARG 28 Ca -0.00 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2dbh h ARG 28 Cb 0.39 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2dbh h ARG 28 CO 0.02 -0.51 0.04 1.96 -1.51 0.00 0.00 179.97 179.98 2dbh h GLN 29 N -0.79 0.17 0.03 0.20 4.20 -1.51 -1.45 115.11 115.96 2dbh h GLN 29 Ca -0.07 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 2dbh h GLN 29 Cb 0.63 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.39 2dbh h GLN 29 CO 0.09 0.15 -0.59 0.28 -0.67 0.00 0.00 178.83 178.08 2dbh h VAL 30 N 0.17 1.47 -0.18 -0.54 2.07 -1.30 -1.85 116.25 116.09 2dbh h VAL 30 Ca 0.04 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 2dbh h VAL 30 Cb 0.05 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2dbh h VAL 30 CO -0.00 0.62 0.02 0.03 0.02 0.00 0.00 177.57 178.25 2dbh h ARG 31 N -0.23 0.25 0.03 1.57 3.08 0.91 0.44 114.38 120.42 2dbh h ARG 31 Ca -0.08 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.69 2dbh h ARG 31 Cb 1.35 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 2dbh h ARG 31 CO 0.12 0.26 -1.21 -0.07 -1.07 0.00 0.00 179.97 178.00 2dbh h LEU 32 N 0.25 0.11 -5.93 3.04 3.38 -1.32 -3.39 115.31 111.45 2dbh h LEU 32 Ca 0.06 -0.13 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 2dbh h LEU 32 Cb 0.15 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 40.46 2dbh h LEU 32 CO 0.00 1.10 -1.01 0.47 0.09 0.00 0.00 178.44 179.09 2dbh n ASP 33 N -3.34 1.48 -4.52 -0.43 9.92 -0.70 -5.06 116.55 113.90 2dbh n ASP 33 Ca -0.06 -3.05 -0.15 0.00 -0.53 0.00 0.00 54.79 51.01 2dbh n ASP 33 Cb 0.98 -0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 40.73 2dbh n ASP 33 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2dbh n PRO 34 N 0.68 0.35 0.00 -0.24 -0.02 0.15 -4.68 135.00 131.24 2dbh n PRO 34 Ca 0.25 -0.73 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 2dbh n PRO 34 Cb 0.55 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2dbh n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dbh s ASP 36 N -2.01 -0.12 -0.10 0.00 -1.08 -1.26 -5.06 116.67 107.04 2dbh s ASP 36 Ca 0.00 0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.37 2dbh s ASP 36 Cb 0.00 0.10 0.44 0.00 -1.46 0.00 0.00 42.92 42.00 2dbh s ASP 36 CO 0.00 -0.11 1.18 0.18 0.52 0.00 0.00 175.17 176.94 2dbh n LEU 37 N 0.60 1.71 0.30 -1.34 4.77 -1.26 -4.90 117.00 116.88 2dbh n LEU 37 Ca -0.03 -2.75 -0.13 0.00 -0.03 0.00 0.00 56.01 53.07 2dbh n LEU 37 Cb 0.59 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2dbh n LEU 37 CO 0.09 0.88 0.33 -0.61 -1.33 0.00 0.00 177.39 176.75 2dbh h GLN 38 N 1.27 -0.79 0.00 3.23 -0.00 -1.99 -2.18 115.11 114.66 2dbh h GLN 38 Ca -0.13 0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 2dbh h GLN 38 Cb 1.58 0.18 -0.00 0.00 0.00 0.00 0.00 27.48 29.23 2dbh h GLN 38 CO 0.12 -0.52 -0.15 -1.00 0.00 0.00 0.00 178.83 177.28 2dbh h PRO 39 N -1.21 0.00 0.00 -2.39 0.13 -1.98 0.29 132.00 126.84 2dbh h PRO 39 Ca -0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.92 2dbh h PRO 39 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 2dbh h PRO 39 CO 0.14 0.15 -0.59 0.82 -0.23 0.00 0.00 178.00 178.28 2dbh h ILE 40 N 0.00 1.26 0.07 -3.56 2.04 -1.87 -2.34 117.51 113.11 2dbh h ILE 40 Ca -0.00 -2.16 -0.31 0.00 1.00 0.00 0.00 64.86 63.40 2dbh h ILE 40 Cb 0.34 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 2dbh h ILE 40 CO 0.02 0.58 -1.68 0.49 0.00 0.00 0.00 178.15 177.56 2dbh n PHE 41 N -3.59 1.14 0.28 1.37 3.72 -0.82 -3.41 117.46 116.15 2dbh n PHE 41 Ca -0.00 0.34 0.16 0.00 -0.05 0.00 0.00 57.45 57.89 2dbh n PHE 41 Cb 0.65 -1.13 0.79 0.00 -0.94 0.00 0.00 39.48 38.84 2dbh n PHE 41 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2dbh h ASP 42 N -0.42 0.00 0.86 4.37 3.58 -1.05 0.97 116.42 124.72 2dbh h ASP 42 Ca -0.40 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.86 2dbh h ASP 42 Cb 1.70 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.72 2dbh h ASP 42 CO -0.05 0.08 -1.23 -0.78 -2.88 0.00 0.00 179.24 174.37 2dbh h ASP 43 N 0.00 0.00 0.05 2.28 3.58 -1.57 -3.37 116.42 117.40 2dbh h ASP 43 Ca -0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 2dbh h ASP 43 Cb 0.35 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 2dbh h ASP 43 CO 0.01 0.77 -2.16 0.23 -2.88 0.00 0.00 179.24 175.22 2dbh n MET 44 N -3.09 0.67 -0.28 0.28 2.81 -0.94 -4.35 117.12 112.22 2dbh n MET 44 Ca -0.07 -0.07 0.07 0.00 -1.81 0.00 0.00 57.70 55.82 2dbh n MET 44 Cb 0.90 -1.54 0.30 0.00 -0.71 0.00 0.00 33.22 32.17 2dbh n MET 44 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dbh h LEU 45 N 0.00 0.79 -2.08 4.03 3.38 0.81 0.35 115.31 122.60 2dbh h LEU 45 Ca -0.29 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2dbh h LEU 45 Cb 1.69 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2dbh h LEU 45 CO 0.02 0.46 -0.01 0.45 0.09 0.00 0.00 178.44 179.45 2dbh h HIS 46 N 0.87 0.00 -0.02 1.13 3.86 -1.76 -1.52 115.15 117.72 2dbh h HIS 46 Ca 0.41 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.43 2dbh h HIS 46 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2dbh h HIS 46 CO -0.00 0.01 -0.83 0.74 0.86 0.00 0.00 177.93 178.71 2dbh h PHE 47 N 0.00 0.37 -3.94 2.45 -1.00 -1.17 -3.45 116.94 110.19 2dbh h PHE 47 Ca -0.00 -0.19 -0.46 0.00 2.81 0.00 0.00 57.97 60.12 2dbh h PHE 47 Cb 0.03 -0.05 0.16 0.00 3.61 0.00 0.00 35.95 39.70 2dbh h PHE 47 CO 0.00 0.98 0.21 -0.51 -1.61 0.00 0.00 178.31 177.38 2dbh s LEU 48 N -7.60 1.85 0.35 1.54 1.43 -0.57 -5.07 118.68 110.60 2dbh s LEU 48 Ca -0.04 1.32 0.08 0.00 -1.03 0.00 0.00 54.13 54.47 2dbh s LEU 48 Cb 0.10 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2dbh s LEU 48 CO 0.83 -2.97 0.17 0.20 0.23 0.00 0.00 176.35 174.81 2dbh s ASN 49 N -3.41 4.75 0.28 2.29 0.01 -1.26 -4.97 114.94 112.63 2dbh s ASN 49 Ca 0.65 -0.76 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 2dbh s ASN 49 Cb -0.19 -0.74 0.58 0.00 0.41 0.00 0.00 41.25 41.32 2dbh s ASN 49 CO 0.57 -0.33 1.80 -0.65 -1.51 0.00 0.00 177.10 176.98 2dbh h PRO 50 N 1.48 0.81 -0.33 -0.60 0.11 -1.97 0.14 132.00 131.64 2dbh h PRO 50 Ca -0.44 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2dbh h PRO 50 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2dbh h PRO 50 CO 0.63 0.53 -0.41 1.49 -0.21 0.00 0.00 178.00 180.03 2dbh h GLU 51 N 0.83 0.82 -0.22 1.05 4.57 -2.01 -3.00 114.58 116.63 2dbh h GLU 51 Ca 0.50 -0.44 -0.13 0.00 -1.18 0.00 0.00 59.36 58.11 2dbh h GLU 51 Cb 0.63 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2dbh h GLU 51 CO -0.32 1.08 -0.40 0.93 -1.18 0.00 0.00 179.01 179.12 2dbh h GLU 52 N 0.67 0.51 -0.09 1.92 5.08 -1.63 -2.89 114.58 118.15 2dbh h GLU 52 Ca 0.05 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2dbh h GLU 52 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2dbh h GLU 52 CO 0.09 0.83 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.75 2dbh h LEU 53 N 0.42 0.13 -1.36 1.33 3.38 -0.70 -1.98 115.31 116.53 2dbh h LEU 53 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2dbh h LEU 53 Cb 0.89 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2dbh h LEU 53 CO 0.08 0.26 -0.27 -0.09 0.09 0.00 0.00 178.44 178.51 2dbh h ARG 54 N 0.14 0.08 -0.02 1.13 2.43 -1.37 0.27 114.38 117.04 2dbh h ARG 54 Ca 0.03 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 2dbh h ARG 54 Cb 0.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2dbh h ARG 54 CO 0.02 0.34 -0.76 0.28 -1.51 0.00 0.00 179.97 178.34 2dbh h VAL 55 N 0.07 1.46 0.01 0.20 2.07 -1.40 -3.22 116.25 115.43 2dbh h VAL 55 Ca 0.01 -2.38 -0.27 0.00 0.82 0.00 0.00 66.70 64.88 2dbh h VAL 55 Cb 0.52 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 2dbh h VAL 55 CO 0.04 0.70 -1.47 0.40 0.02 0.00 0.00 177.57 177.25 2dbh h ILE 56 N 0.12 1.15 -0.08 4.57 2.04 -1.31 -3.33 117.51 120.67 2dbh h ILE 56 Ca -0.03 -2.94 0.02 0.00 1.00 0.00 0.00 64.86 62.91 2dbh h ILE 56 Cb 1.34 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 40.00 2dbh h ILE 56 CO 0.12 0.68 0.06 -0.08 0.00 0.00 0.00 178.15 178.92 2dbh h GLU 57 N 0.01 0.03 -0.41 2.37 4.81 -0.50 -1.36 114.58 119.53 2dbh h GLU 57 Ca -0.19 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 2dbh h GLU 57 Cb 1.93 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.29 2dbh h GLU 57 CO 0.10 0.02 0.06 0.93 -0.73 0.00 0.00 179.01 179.39 2dbh h GLU 58 N 0.03 0.62 -6.42 1.92 5.08 -1.66 -3.40 114.58 110.75 2dbh h GLU 58 Ca 0.04 -0.12 -0.57 0.00 -1.00 0.00 0.00 59.36 57.70 2dbh h GLU 58 Cb 0.11 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2dbh h GLU 58 CO -0.00 0.60 1.08 0.42 -1.00 0.00 0.00 179.01 180.11 2dbh s ILE 59 N -5.08 3.88 0.02 3.13 1.01 -0.51 -4.90 121.20 118.74 2dbh s ILE 59 Ca -0.08 0.94 -0.19 0.00 0.00 0.00 0.00 60.65 61.31 2dbh s ILE 59 Cb 0.16 -4.05 -0.20 0.00 0.01 0.00 0.00 42.46 38.38 2dbh s ILE 59 CO 0.77 -0.58 1.19 1.55 0.00 0.00 0.00 174.94 177.87 2dbh h PRO 60 N 10.62 0.45 -7.20 2.79 0.13 -1.84 -3.45 132.00 133.49 2dbh h PRO 60 Ca -0.29 -0.39 -0.53 0.00 -0.87 0.00 0.00 66.00 63.93 2dbh h PRO 60 Cb 1.12 0.09 0.19 0.00 0.13 0.00 0.00 31.00 32.53 2dbh h PRO 60 CO 1.05 1.03 0.22 1.04 -0.23 0.00 0.00 178.00 181.11 2dbh n GLN 61 N -4.28 -0.17 -0.03 0.86 6.02 -1.26 -4.97 117.38 113.55 2dbh n GLN 61 Ca -0.09 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.71 2dbh n GLN 61 Cb 0.59 -2.37 -0.13 0.00 1.02 0.00 0.00 30.24 29.35 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dbh h ALA 62 N -1.44 0.28 -0.12 -1.58 0.00 -1.99 -3.15 119.26 111.27 2dbh h ALA 62 Ca -0.44 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.25 2dbh h ALA 62 Cb 1.28 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2dbh h ALA 62 CO 0.43 0.93 0.07 0.93 0.00 0.00 0.00 179.25 181.60 2dbh h GLU 63 N -0.42 0.14 -0.10 0.00 3.07 -1.99 -2.26 114.58 113.01 2dbh h GLU 63 Ca -0.35 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.44 2dbh h GLU 63 Cb 1.69 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.56 2dbh h GLU 63 CO -0.02 0.09 -0.19 -0.44 -1.40 0.00 0.00 179.01 177.05 2dbh h ASP 64 N 0.14 0.16 -0.12 1.42 5.19 -1.98 -2.32 116.42 118.90 2dbh h ASP 64 Ca 0.05 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2dbh h ASP 64 Cb -0.00 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2dbh h ASP 64 CO -0.02 0.36 0.07 0.50 -3.12 0.00 0.00 179.24 177.03 2dbh h LYS 65 N 0.15 0.17 0.03 3.56 3.64 -1.37 -1.58 116.57 121.17 2dbh h LYS 65 Ca 0.03 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.19 2dbh h LYS 65 Cb 0.44 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2dbh h LYS 65 CO 0.03 0.12 -0.97 1.25 -2.27 0.00 0.00 179.45 177.62 2dbh h LEU 66 N 0.17 0.18 -1.83 5.20 5.85 -1.20 -3.14 115.31 120.54 2dbh h LEU 66 Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2dbh h LEU 66 Cb 0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2dbh h LEU 66 CO -0.01 1.04 0.11 -0.78 -0.34 0.00 0.00 178.44 178.47 2dbh h ASP 67 N 0.06 0.20 0.68 1.25 1.82 -1.18 -1.81 116.42 117.43 2dbh h ASP 67 Ca -0.05 -0.01 -0.25 0.00 -0.39 0.00 0.00 57.03 56.34 2dbh h ASP 67 Cb 1.65 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.61 2dbh h ASP 67 CO 0.14 0.14 -1.15 -0.09 -1.61 0.00 0.00 179.24 176.67 2dbh h ARG 68 N 0.23 0.22 -0.19 0.28 9.65 -1.53 -3.13 114.38 119.91 2dbh h ARG 68 Ca 0.06 -0.36 0.01 0.00 -1.10 0.00 0.00 59.98 58.60 2dbh h ARG 68 Cb -0.03 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 2dbh h ARG 68 CO -0.01 1.15 0.13 1.25 2.80 0.00 0.00 179.97 185.29 2dbh h LEU 69 N 0.07 0.18 0.02 3.80 5.85 -1.29 -1.31 115.31 122.64 2dbh h LEU 69 Ca -0.10 -0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.39 2dbh h LEU 69 Cb 1.87 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 2dbh h LEU 69 CO 0.18 0.13 -1.07 -0.26 -0.34 0.00 0.00 178.44 177.08 2dbh h PHE 70 N 0.22 0.09 -0.36 1.25 -1.00 -1.53 -2.14 116.94 113.46 2dbh h PHE 70 Ca 0.08 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 2dbh h PHE 70 Cb 0.04 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2dbh h PHE 70 CO -0.00 1.05 -0.21 1.49 -1.61 0.00 0.00 178.31 179.03 2dbh h GLU 71 N 0.01 0.69 0.00 1.51 4.81 -1.21 0.50 114.58 120.89 2dbh h GLU 71 Ca -0.04 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2dbh h GLU 71 Cb 1.82 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.15 2dbh h GLU 71 CO 0.14 0.84 -0.15 0.82 -0.73 0.00 0.00 179.01 179.94 2dbh h ILE 72 N 0.61 0.35 0.00 2.32 2.04 -1.43 -3.36 117.51 118.04 2dbh h ILE 72 Ca 0.09 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 2dbh h ILE 72 Cb 0.69 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2dbh h ILE 72 CO 0.05 0.12 -0.21 0.40 0.00 0.00 0.00 178.15 178.51 2dbh h ILE 73 N -1.00 1.04 0.00 -0.67 2.04 -1.48 -2.28 117.51 115.16 2dbh h ILE 73 Ca -0.02 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2dbh h ILE 73 Cb 0.32 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2dbh h ILE 73 CO -0.01 0.20 0.01 1.23 0.00 0.00 0.00 178.15 179.58 2dbh h GLY 74 N 0.73 0.00 -1.60 5.37 0.00 -0.14 -1.42 103.07 106.02 2dbh h GLY 74 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2dbh h GLY 74 CO 0.03 0.00 -0.48 -0.62 0.00 0.00 0.00 176.54 175.47 2dbh n VAL 75 N -3.03 2.32 0.00 4.60 0.31 -0.86 -2.75 118.33 118.92 2dbh n VAL 75 Ca -0.03 -3.33 0.00 0.00 -0.01 0.00 0.00 64.34 60.97 2dbh n VAL 75 Cb 0.08 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 2dbh n VAL 75 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2dbh n LYS 76 N -1.06 0.00 -3.77 5.55 5.02 -0.53 -4.87 118.16 118.50 2dbh n LYS 76 Ca 0.25 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.51 2dbh n LYS 76 Cb 0.78 -0.23 -0.01 0.00 -0.02 0.00 0.00 35.03 35.55 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dbh s SER 77 N -3.39 -0.16 0.39 4.39 0.15 -1.25 -5.03 113.70 108.80 2dbh s SER 77 Ca 0.00 -0.45 0.21 0.00 0.70 0.00 0.00 55.95 56.40 2dbh s SER 77 Cb 0.00 0.51 0.62 0.00 -1.71 0.00 0.00 66.02 65.44 2dbh s SER 77 CO 0.00 -0.95 1.70 1.56 1.20 0.00 0.00 173.24 176.75 2dbh h GLN 78 N 2.00 0.00 -0.08 5.44 4.20 -1.97 -0.01 115.11 124.69 2dbh h GLN 78 Ca -0.24 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 2dbh h GLN 78 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2dbh h GLN 78 CO 0.26 0.30 -0.22 1.49 -0.67 0.00 0.00 178.83 180.00 2dbh h GLU 79 N 0.00 0.13 0.00 1.46 4.57 -1.98 -1.42 114.58 117.34 2dbh h GLU 79 Ca -0.00 -0.04 -0.34 0.00 -1.18 0.00 0.00 59.36 57.80 2dbh h GLU 79 Cb 0.96 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.47 2dbh h GLU 79 CO 0.04 0.35 -2.28 0.00 -1.18 0.00 0.00 179.01 175.94 2dbh n ALA 80 N -2.49 1.54 -0.00 2.92 0.00 -1.16 -3.97 120.51 117.35 2dbh n ALA 80 Ca -0.01 -1.20 -0.12 0.00 0.00 0.00 0.00 53.44 52.10 2dbh n ALA 80 Cb 0.31 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 2dbh n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dbh h SER 81 N 0.00 0.05 -0.50 0.00 0.87 -0.96 0.18 113.55 113.19 2dbh h SER 81 Ca -0.51 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 59.71 2dbh h SER 81 Cb 2.10 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 64.02 2dbh h SER 81 CO 0.01 0.32 0.08 -0.61 -0.53 0.00 0.00 176.83 176.11 2dbh h GLN 82 N -0.22 0.89 -0.03 2.24 -0.00 -1.49 -2.61 115.11 113.89 2dbh h GLN 82 Ca 0.01 -0.21 -0.15 0.00 -0.00 0.00 0.00 58.65 58.30 2dbh h GLN 82 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.64 2dbh h GLN 82 CO 0.00 0.83 -0.66 1.15 0.00 0.00 0.00 178.83 180.15 2dbh h THR 83 N 0.84 1.44 0.00 2.39 2.02 -1.66 -1.52 112.91 116.42 2dbh h THR 83 Ca 0.17 -2.18 -0.03 0.00 0.77 0.00 0.00 66.41 65.14 2dbh h THR 83 Cb 0.38 2.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2dbh h THR 83 CO 0.01 0.63 -0.16 0.25 0.37 0.00 0.00 175.52 176.62 2dbh h LEU 84 N 0.08 0.00 0.07 2.58 5.85 -0.26 0.21 115.31 123.84 2dbh h LEU 84 Ca -0.01 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.36 2dbh h LEU 84 Cb 1.18 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2dbh h LEU 84 CO 0.09 0.16 -2.01 0.18 -0.34 0.00 0.00 178.44 176.53 2dbh n LEU 85 N -4.19 2.00 -0.03 2.25 4.77 -1.13 -4.00 117.00 116.67 2dbh n LEU 85 Ca -0.02 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2dbh n LEU 85 Cb 0.24 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2dbh n LEU 85 CO 0.35 0.71 0.51 -0.78 -1.33 0.00 0.00 177.39 176.85 2dbh h ASP 86 N 0.04 0.75 0.24 -1.43 1.82 -1.09 -2.95 116.42 113.80 2dbh h ASP 86 Ca -0.42 -0.37 -0.02 0.00 -0.39 0.00 0.00 57.03 55.83 2dbh h ASP 86 Cb 2.03 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 41.82 2dbh h ASP 86 CO 0.06 1.11 -0.11 -1.28 -1.61 0.00 0.00 179.24 177.40 2dbh h SER 87 N 0.54 0.00 0.44 2.28 0.87 -0.76 0.85 113.55 117.76 2dbh h SER 87 Ca 0.03 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 2dbh h SER 87 Cb 1.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2dbh h SER 87 CO 0.10 0.11 -0.55 0.58 -0.53 0.00 0.00 176.83 176.54 2dbh h VAL 88 N 0.00 1.38 0.00 2.23 2.07 -1.65 -1.88 116.25 118.41 2dbh h VAL 88 Ca -0.00 -1.88 -0.38 0.00 0.82 0.00 0.00 66.70 65.26 2dbh h VAL 88 Cb 0.26 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2dbh h VAL 88 CO 0.01 0.55 -2.43 -1.22 0.02 0.00 0.00 177.57 174.50 2dbh n TYR 89 N -3.90 0.00 0.12 1.57 4.01 -0.79 -3.30 117.16 114.88 2dbh n TYR 89 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 2dbh n TYR 89 Cb 0.57 -1.00 0.26 0.00 -0.31 0.00 0.00 39.34 38.86 2dbh n TYR 89 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2dbh h SER 90 N 0.00 0.16 0.10 7.72 0.87 0.63 -3.25 113.55 119.78 2dbh h SER 90 Ca -0.56 -0.06 -0.27 0.00 -1.23 0.00 0.00 61.79 59.66 2dbh h SER 90 Cb 2.09 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 64.00 2dbh h SER 90 CO -0.02 0.56 -1.40 0.45 -0.53 0.00 0.00 176.83 175.89 2dbh h HIS 91 N 0.13 0.37 -3.06 2.24 3.86 -1.52 -3.43 115.15 113.73 2dbh h HIS 91 Ca 0.01 -0.27 -0.72 0.00 -1.16 0.00 0.00 60.37 58.24 2dbh h HIS 91 Cb 0.79 -0.01 -0.21 0.00 1.06 0.00 0.00 27.41 29.04 2dbh h HIS 91 CO 0.01 1.55 -0.03 -0.51 0.86 0.00 0.00 177.93 179.80 2dbh s LEU 92 N -7.56 5.54 0.42 2.43 1.43 -1.21 -4.91 118.68 114.82 2dbh s LEU 92 Ca -0.21 -1.42 0.19 0.00 -1.03 0.00 0.00 54.13 51.66 2dbh s LEU 92 Cb 0.05 -2.29 0.95 0.00 0.03 0.00 0.00 46.19 44.93 2dbh s LEU 92 CO 0.74 -0.96 1.88 1.55 0.23 0.00 0.00 176.35 179.80 2dbh h PRO 93 N 9.03 0.00 -0.74 1.29 0.13 -1.78 -2.92 132.00 137.00 2dbh h PRO 93 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dbh h PRO 93 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2dbh h PRO 93 CO 1.03 0.28 0.46 0.22 -0.23 0.00 0.00 178.00 179.77 2dbh h ASP 94 N 0.00 0.87 0.00 1.44 3.58 -1.91 -3.31 116.42 117.10 2dbh h ASP 94 Ca -0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2dbh h ASP 94 Cb 0.61 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2dbh h ASP 94 CO 0.04 0.66 0.00 0.18 -2.88 0.00 0.00 179.24 177.24 2dbh n LEU 95 N -4.40 0.86 -4.11 2.28 4.77 -1.10 -5.02 117.00 110.28 2dbh n LEU 95 Ca 0.08 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 2dbh n LEU 95 Cb 0.06 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 2dbh n LEU 95 CO 0.37 -0.10 0.07 -0.76 -1.33 0.00 0.00 177.39 175.64 2dbh s LEU 96 N -1.60 1.00 -0.01 2.23 1.02 -1.24 -5.13 118.68 114.95 2dbh s LEU 96 Ca 0.00 -1.41 -0.07 0.00 0.02 0.00 0.00 54.13 52.66 2dbh s LEU 96 Cb 0.00 1.28 0.00 0.00 0.02 0.00 0.00 46.19 47.49 2dbh s LEU 96 CO 0.00 -1.19 0.15 -0.44 0.02 0.00 0.00 176.35 174.89 2dbh s SER 97 N -3.21 -0.02 0.00 2.29 0.01 -1.26 -4.47 113.70 107.04 2dbh s SER 97 Ca 0.31 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2dbh s SER 97 Cb 0.01 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2dbh s SER 97 CO 0.18 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2dbh n GLY 98 N 1.76 -0.70 3.77 3.44 0.00 -1.26 -5.11 105.19 107.08 2dbh n GLY 98 Ca -0.21 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2dbh n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbh s PRO 99 N 0.00 4.12 0.04 1.61 0.04 -1.26 -4.62 135.00 134.93 2dbh s PRO 99 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2dbh s PRO 99 Cb 0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2dbh s PRO 99 CO 0.00 -0.28 0.00 0.43 0.04 0.00 0.00 177.00 177.19 2dbh n SER 100 N 0.24 -9.48 -3.32 6.66 7.64 -1.26 -5.05 113.62 109.05 2dbh n SER 100 Ca 0.03 1.81 -0.10 0.00 1.01 0.00 0.00 58.87 61.62 2dbh n SER 100 Cb 0.45 -5.17 -0.07 0.00 -1.01 0.00 0.00 64.21 58.42 2dbh n SER 100 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dbh s SER 101 N -0.59 0.52 0.00 6.43 0.01 -1.26 -5.29 113.70 113.53 2dbh s SER 101 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2dbh s SER 101 Cb 0.00 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.26 2dbh s SER 101 CO 0.00 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.91