#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 0.36 -3.74 1.61 4.64 -2.13 -3.48 113.55 110.81 2dbh h SER 2 Ca 0.00 -0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.48 2dbh h SER 2 Cb 0.00 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 61.89 2dbh h SER 2 CO 0.00 0.34 -1.12 -0.24 -0.87 0.00 0.00 176.83 174.94 2dbh n SER 3 N -4.42 -7.87 -0.33 4.97 2.88 -1.26 -4.94 113.62 102.65 2dbh n SER 3 Ca 0.01 1.60 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 2dbh n SER 3 Cb 0.13 -4.87 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 2dbh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbh n GLY 4 N -3.55 0.92 3.56 0.46 0.00 -1.26 -4.99 105.19 100.33 2dbh n GLY 4 Ca -0.05 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2dbh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbh s SER 5 N -2.81 5.85 -0.19 1.61 0.15 -1.26 -4.81 113.70 112.24 2dbh s SER 5 Ca 0.00 0.25 0.13 0.00 0.70 0.00 0.00 55.95 57.03 2dbh s SER 5 Cb 0.00 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 2dbh s SER 5 CO 0.00 -1.94 1.21 -0.24 1.20 0.00 0.00 173.24 173.47 2dbh n SER 6 N 10.58 1.91 0.00 5.45 2.88 -1.26 -4.85 113.62 128.34 2dbh n SER 6 Ca 0.14 -3.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.03 2dbh n SER 6 Cb 0.50 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2dbh n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbh n GLY 7 N -0.89 -0.37 2.93 0.46 0.00 -1.26 -5.05 105.19 101.01 2dbh n GLY 7 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 2dbh n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbh n SER 8 N -2.12 1.12 0.00 1.61 3.41 -1.26 -5.01 113.62 111.36 2dbh n SER 8 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 2dbh n SER 8 Cb 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2dbh n SER 8 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dbh n SER 9 N -2.86 0.00 -4.43 4.04 7.64 -1.26 -4.89 113.62 111.87 2dbh n SER 9 Ca 0.12 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 2dbh n SER 9 Cb 0.45 0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.14 2.59 -1.35 -0.43 0.00 -1.26 -3.92 121.76 116.24 2dbh s ALA 10 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 2dbh s ALA 10 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2dbh s ALA 10 CO 0.00 0.47 1.18 1.28 0.00 0.00 0.00 175.76 178.68 2dbh n LEU 11 N 2.67 -3.44 0.00 0.00 4.32 -1.26 -4.59 117.00 114.69 2dbh n LEU 11 Ca -0.17 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 2dbh n LEU 11 Cb 0.52 -3.04 0.00 0.00 -1.62 0.00 0.00 43.42 39.28 2dbh n LEU 11 CO 0.27 0.64 0.00 -1.20 -1.22 0.00 0.00 177.39 175.88 2dbh n SER 12 N -3.03 0.00 0.13 -1.43 7.64 -1.26 -4.90 113.62 110.77 2dbh n SER 12 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.82 2dbh n SER 12 Cb 0.57 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 2dbh n SER 12 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2dbh h ARG 13 N 0.00 -0.32 -0.51 1.43 9.65 -1.81 -3.38 114.38 119.44 2dbh h ARG 13 Ca 0.00 0.02 -0.37 0.00 -1.10 0.00 0.00 59.98 58.53 2dbh h ARG 13 Cb 0.00 0.07 -0.32 0.00 -1.39 0.00 0.00 29.97 28.34 2dbh h ARG 13 CO 0.00 -0.22 -0.77 0.09 2.80 0.00 0.00 179.97 181.88 2dbh n ASN 14 N -3.22 3.72 -1.46 -3.80 4.13 -1.26 -5.07 115.26 108.29 2dbh n ASN 14 Ca -0.04 -3.61 0.20 0.00 1.68 0.00 0.00 54.58 52.81 2dbh n ASN 14 Cb 0.13 -0.40 -0.05 0.00 -1.54 0.00 0.00 39.78 37.92 2dbh n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dbh n GLY 15 N -0.77 -2.09 1.87 7.41 0.00 -1.26 -4.97 105.19 105.38 2dbh n GLY 15 Ca 0.34 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2dbh n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 16 N -4.32 -0.00 -0.04 1.61 2.88 -1.26 -4.37 113.62 108.11 2dbh n SER 16 Ca -0.00 0.16 -0.04 0.00 -1.33 0.00 0.00 58.87 57.65 2dbh n SER 16 Cb 0.67 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 64.23 2dbh n SER 16 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2dbh n PHE 17 N -2.88 0.05 -5.06 0.66 3.72 -1.26 -5.02 117.46 107.67 2dbh n PHE 17 Ca 0.00 0.02 -0.28 0.00 -0.05 0.00 0.00 57.45 57.15 2dbh n PHE 17 Cb 0.04 -0.29 -0.16 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.94 1.72 0.53 4.37 1.01 -1.22 -5.04 121.20 120.63 2dbh s ILE 18 Ca -0.14 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.65 2dbh s ILE 18 Cb 0.02 -1.43 0.05 0.00 0.01 0.00 0.00 42.46 41.11 2dbh s ILE 18 CO 0.21 0.48 0.60 0.42 0.00 0.00 0.00 174.94 176.65 2dbh s THR 19 N -0.52 2.16 0.12 2.92 -4.23 -1.26 -4.86 115.64 109.98 2dbh s THR 19 Ca 0.08 -1.19 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2dbh s THR 19 Cb -0.08 -2.35 -0.21 0.00 1.34 0.00 0.00 72.50 71.20 2dbh s THR 19 CO -0.01 0.00 1.28 0.07 -0.54 0.00 0.00 174.62 175.42 2dbh h LYS 20 N 0.50 0.08 -0.04 3.99 2.10 -1.99 -3.23 116.57 117.98 2dbh h LYS 20 Ca -0.34 -0.12 -0.15 0.00 -2.00 0.00 0.00 60.65 58.03 2dbh h LYS 20 Cb 1.29 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 2dbh h LYS 20 CO 0.48 1.02 -0.66 0.93 -2.00 0.00 0.00 179.45 179.23 2dbh h GLU 21 N 0.03 0.18 -0.05 0.07 5.08 -2.01 -3.05 114.58 114.83 2dbh h GLU 21 Ca -0.04 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 2dbh h GLU 21 Cb 1.75 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 2dbh h GLU 21 CO 0.14 0.77 -0.37 -0.22 -1.00 0.00 0.00 179.01 178.34 2dbh h LYS 22 N 0.13 0.11 -0.28 2.33 3.64 -1.97 -2.92 116.57 117.61 2dbh h LYS 22 Ca -0.01 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2dbh h LYS 22 Cb 1.18 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2dbh h LYS 22 CO 0.10 0.46 -0.02 0.87 -2.27 0.00 0.00 179.45 178.59 2dbh h LYS 23 N 0.09 0.50 -0.76 1.90 1.57 -1.55 -2.90 116.57 115.43 2dbh h LYS 23 Ca 0.01 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2dbh h LYS 23 Cb 0.70 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2dbh h LYS 23 CO 0.05 0.67 0.49 0.22 -0.57 0.00 0.00 179.45 180.31 2dbh h ASP 24 N 0.28 0.83 -0.08 0.86 1.82 -1.52 -1.42 116.42 117.19 2dbh h ASP 24 Ca 0.08 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2dbh h ASP 24 Cb 0.46 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 2dbh h ASP 24 CO 0.02 0.58 0.05 0.74 -1.61 0.00 0.00 179.24 179.02 2dbh h THR 25 N 0.97 1.01 -0.07 2.25 2.02 -1.43 0.49 112.91 118.16 2dbh h THR 25 Ca 0.29 -0.03 -0.22 0.00 0.77 0.00 0.00 66.41 67.22 2dbh h THR 25 Cb -0.04 0.91 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2dbh h THR 25 CO -0.09 0.02 -0.85 0.58 0.37 0.00 0.00 175.52 175.54 2dbh h VAL 26 N 0.09 1.33 0.00 3.16 2.07 -1.07 -3.22 116.25 118.62 2dbh h VAL 26 Ca 0.03 -2.18 -0.16 0.00 0.82 0.00 0.00 66.70 65.21 2dbh h VAL 26 Cb 0.01 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2dbh h VAL 26 CO -0.01 0.67 -0.76 -0.07 0.02 0.00 0.00 177.57 177.42 2dbh h LEU 27 N 0.37 0.00 -1.59 2.57 3.38 -0.77 -3.18 115.31 116.09 2dbh h LEU 27 Ca -0.07 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2dbh h LEU 27 Cb 1.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 2dbh h LEU 27 CO 0.16 0.76 0.35 -0.09 0.09 0.00 0.00 178.44 179.72 2dbh h ARG 28 N 0.00 0.50 -0.06 1.13 2.43 -0.94 0.26 114.38 117.70 2dbh h ARG 28 Ca -0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2dbh h ARG 28 Cb 1.36 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2dbh h ARG 28 CO 0.10 0.33 -0.41 1.96 -1.51 0.00 0.00 179.97 180.44 2dbh h GLN 29 N 0.51 0.13 0.17 0.20 4.20 -1.61 -2.63 115.11 116.09 2dbh h GLN 29 Ca 0.23 -0.06 -0.32 0.00 0.06 0.00 0.00 58.65 58.56 2dbh h GLN 29 Cb 0.25 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.04 2dbh h GLN 29 CO -0.06 0.52 -1.54 0.28 -0.67 0.00 0.00 178.83 177.36 2dbh h VAL 30 N 0.11 1.06 -0.13 -0.54 2.07 -1.22 -3.15 116.25 114.45 2dbh h VAL 30 Ca 0.01 -2.51 0.03 0.00 0.82 0.00 0.00 66.70 65.06 2dbh h VAL 30 Cb 0.78 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 2dbh h VAL 30 CO 0.06 0.80 0.09 0.03 0.02 0.00 0.00 177.57 178.57 2dbh h ARG 31 N -0.04 0.02 0.16 1.57 3.08 -0.54 -3.05 114.38 115.58 2dbh h ARG 31 Ca -0.31 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 2dbh h ARG 31 Cb 1.98 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 2dbh h ARG 31 CO 0.16 0.01 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.92 2dbh h LEU 32 N 0.02 -0.18 -7.58 3.04 3.38 -1.57 -3.45 115.31 108.96 2dbh h LEU 32 Ca 0.06 0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.46 2dbh h LEU 32 Cb 0.22 0.05 -0.38 0.00 0.09 0.00 0.00 40.66 40.64 2dbh h LEU 32 CO -0.00 0.24 -0.79 -0.62 0.09 0.00 0.00 178.44 177.36 2dbh s ASP 33 N -5.01 3.25 0.60 -0.43 2.15 -1.16 -5.12 116.67 110.95 2dbh s ASP 33 Ca -0.03 -0.89 -0.18 0.00 0.43 0.00 0.00 52.55 51.88 2dbh s ASP 33 Cb 0.00 -0.98 -0.07 0.00 -0.30 0.00 0.00 42.92 41.58 2dbh s ASP 33 CO 0.09 -0.22 0.69 -2.65 -0.17 0.00 0.00 175.17 172.91 2dbh n PRO 34 N 4.82 0.61 -3.82 4.34 -0.02 -1.20 -4.50 135.00 135.22 2dbh n PRO 34 Ca -0.12 0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 2dbh n PRO 34 Cb 0.46 -1.89 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 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 -3.08 6.75 -0.24 0.00 1.11 -1.26 -4.89 116.67 115.07 2dbh s ASP 36 Ca 0.16 1.23 0.10 0.00 0.18 0.00 0.00 52.55 54.23 2dbh s ASP 36 Cb -0.05 -2.54 0.44 0.00 1.07 0.00 0.00 42.92 41.84 2dbh s ASP 36 CO 0.12 -1.01 1.26 0.18 1.18 0.00 0.00 175.17 176.90 2dbh n LEU 37 N 7.37 3.24 -0.10 1.23 4.77 -1.26 -4.74 117.00 127.50 2dbh n LEU 37 Ca 0.14 -4.01 -0.18 0.00 -0.03 0.00 0.00 56.01 51.93 2dbh n LEU 37 Cb 0.46 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2dbh n LEU 37 CO 0.61 1.49 -0.71 1.67 -1.33 0.00 0.00 177.39 179.13 2dbh n GLN 38 N -1.06 0.54 0.09 3.23 -0.06 -1.26 -4.09 117.38 114.76 2dbh n GLN 38 Ca 0.25 0.45 0.20 0.00 -2.00 0.00 0.00 57.00 55.90 2dbh n GLN 38 Cb 0.77 -1.64 0.75 0.00 -4.06 0.00 0.00 30.24 26.06 2dbh n GLN 38 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 2dbh h PRO 39 N -1.00 0.00 0.00 3.69 0.11 -1.97 0.30 132.00 133.13 2dbh h PRO 39 Ca -0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.67 2dbh h PRO 39 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2dbh h PRO 39 CO -0.19 0.00 -0.64 0.82 -0.21 0.00 0.00 178.00 177.78 2dbh h ILE 40 N 0.00 1.35 0.00 4.15 2.04 -1.88 -2.92 117.51 120.25 2dbh h ILE 40 Ca 0.19 -2.29 -0.31 0.00 1.00 0.00 0.00 64.86 63.45 2dbh h ILE 40 Cb 0.97 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 39.28 2dbh h ILE 40 CO -0.00 0.63 -1.73 0.49 0.00 0.00 0.00 178.15 177.54 2dbh n PHE 41 N -3.61 0.59 0.27 1.37 3.01 0.52 -3.56 117.46 116.04 2dbh n PHE 41 Ca -0.00 0.25 0.18 0.00 1.01 0.00 0.00 57.45 58.89 2dbh n PHE 41 Cb 0.67 -1.03 0.92 0.00 -0.01 0.00 0.00 39.48 40.03 2dbh n PHE 41 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2dbh h ASP 42 N -1.00 0.00 0.74 4.37 3.58 -0.70 1.12 116.42 124.52 2dbh h ASP 42 Ca -0.47 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 2dbh h ASP 42 Cb 1.38 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.43 2dbh h ASP 42 CO -0.28 0.00 -1.28 -0.67 -2.88 0.00 0.00 179.24 174.13 2dbh n ASP 43 N -3.32 0.66 -0.01 2.28 -0.08 -1.10 -4.20 116.55 110.78 2dbh n ASP 43 Ca -0.00 0.26 0.09 0.00 -1.51 0.00 0.00 54.79 53.63 2dbh n ASP 43 Cb 0.30 0.75 -0.14 0.00 2.34 0.00 0.00 41.12 44.38 2dbh n ASP 43 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2dbh n MET 44 N -2.61 0.58 0.01 -0.67 2.81 0.42 -4.40 117.12 113.26 2dbh n MET 44 Ca -0.02 -0.16 0.21 0.00 -1.81 0.00 0.00 57.70 55.92 2dbh n MET 44 Cb 0.60 -1.43 0.71 0.00 -0.71 0.00 0.00 33.22 32.39 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 0.00 -0.47 4.03 3.38 0.96 0.27 115.31 123.48 2dbh h LEU 45 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2dbh h LEU 45 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2dbh h LEU 45 CO 0.00 0.00 -0.58 -0.74 0.09 0.00 0.00 178.44 177.21 2dbh h HIS 46 N 0.00 0.00 -0.37 1.13 2.76 -1.80 -3.19 115.15 113.68 2dbh h HIS 46 Ca 0.25 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 2dbh h HIS 46 Cb 1.06 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 2dbh h HIS 46 CO 0.00 0.58 -0.15 0.74 -1.30 0.00 0.00 177.93 177.80 2dbh h PHE 47 N 0.00 0.75 -3.08 5.26 -1.00 -0.72 -3.44 116.94 114.71 2dbh h PHE 47 Ca -0.01 -0.14 -0.46 0.00 2.81 0.00 0.00 57.97 60.18 2dbh h PHE 47 Cb 1.24 -0.19 0.10 0.00 3.61 0.00 0.00 35.95 40.72 2dbh h PHE 47 CO 0.00 0.79 0.22 -0.51 -1.61 0.00 0.00 178.31 177.20 2dbh s LEU 48 N -8.92 2.88 0.30 1.54 1.02 -1.15 -5.12 118.68 109.23 2dbh s LEU 48 Ca -0.09 0.02 0.10 0.00 0.02 0.00 0.00 54.13 54.19 2dbh s LEU 48 Cb 0.14 -2.37 -0.05 0.00 0.02 0.00 0.00 46.19 43.92 2dbh s LEU 48 CO 0.81 -2.03 -0.10 0.54 0.02 0.00 0.00 176.35 175.60 2dbh s ASN 49 N -4.72 3.92 0.49 2.29 4.22 -1.26 -4.95 114.94 114.94 2dbh s ASN 49 Ca 0.67 -0.98 0.29 0.00 -2.14 0.00 0.00 52.86 50.69 2dbh s ASN 49 Cb -0.06 -0.46 1.37 0.00 1.28 0.00 0.00 41.25 43.38 2dbh s ASN 49 CO 0.47 -0.07 1.83 -0.65 -2.04 0.00 0.00 177.10 176.64 2dbh h PRO 50 N 2.05 0.13 -0.05 3.55 0.11 -1.98 0.52 132.00 136.34 2dbh h PRO 50 Ca -0.42 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 2dbh h PRO 50 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2dbh h PRO 50 CO 0.63 0.09 -0.72 1.49 -0.21 0.00 0.00 178.00 179.29 2dbh h GLU 51 N 0.14 0.28 0.17 1.05 4.57 -2.00 -2.69 114.58 116.10 2dbh h GLU 51 Ca 0.52 -0.23 -0.33 0.00 -1.18 0.00 0.00 59.36 58.14 2dbh h GLU 51 Cb 1.79 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 30.44 2dbh h GLU 51 CO -0.09 0.88 -1.57 0.93 -1.18 0.00 0.00 179.01 177.98 2dbh h GLU 52 N 0.19 0.36 0.00 1.92 5.08 -0.72 -3.31 114.58 118.10 2dbh h GLU 52 Ca -0.02 -0.62 -0.04 0.00 -1.00 0.00 0.00 59.36 57.68 2dbh h GLU 52 Cb 1.28 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2dbh h GLU 52 CO 0.11 1.26 -0.17 -0.07 -1.00 0.00 0.00 179.01 179.15 2dbh h LEU 53 N 0.10 0.00 -1.97 1.33 3.38 -0.24 -2.10 115.31 115.81 2dbh h LEU 53 Ca -0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2dbh h LEU 53 Cb 2.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.82 2dbh h LEU 53 CO 0.20 0.17 0.12 -0.09 0.09 0.00 0.00 178.44 178.92 2dbh h ARG 54 N 0.00 0.04 0.02 1.13 9.65 -1.56 0.76 114.38 124.42 2dbh h ARG 54 Ca -0.00 -0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.67 2dbh h ARG 54 Cb 0.30 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2dbh h ARG 54 CO 0.02 0.03 -0.96 0.28 2.80 0.00 0.00 179.97 182.14 2dbh h VAL 55 N 0.04 1.56 0.05 0.20 2.07 -1.55 -3.24 116.25 115.39 2dbh h VAL 55 Ca 0.08 -2.89 -0.29 0.00 0.82 0.00 0.00 66.70 64.41 2dbh h VAL 55 Cb 0.25 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 2dbh h VAL 55 CO -0.00 0.84 -1.53 0.40 0.02 0.00 0.00 177.57 177.29 2dbh h ILE 56 N 0.06 1.10 -0.04 4.57 2.04 -1.21 -3.33 117.51 120.71 2dbh h ILE 56 Ca -0.05 -2.84 0.01 0.00 1.00 0.00 0.00 64.86 62.98 2dbh h ILE 56 Cb 1.63 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 40.34 2dbh h ILE 56 CO 0.14 0.74 0.03 -0.33 0.00 0.00 0.00 178.15 178.73 2dbh h GLU 57 N 0.03 0.02 -0.63 2.37 5.08 0.40 -1.59 114.58 120.26 2dbh h GLU 57 Ca -0.23 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2dbh h GLU 57 Cb 1.97 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.19 2dbh h GLU 57 CO 0.12 0.01 0.36 0.93 -1.00 0.00 0.00 179.01 179.43 2dbh h GLU 58 N 0.02 0.86 -6.28 2.33 5.08 -1.66 -3.40 114.58 111.53 2dbh h GLU 58 Ca 0.02 -0.08 -0.57 0.00 -1.00 0.00 0.00 59.36 57.72 2dbh h GLU 58 Cb 0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2dbh h GLU 58 CO -0.00 0.63 1.23 0.42 -1.00 0.00 0.00 179.01 180.28 2dbh s ILE 59 N -5.61 3.53 0.02 3.13 1.01 -0.60 -4.89 121.20 117.80 2dbh s ILE 59 Ca -0.10 0.56 -0.19 0.00 0.00 0.00 0.00 60.65 60.92 2dbh s ILE 59 Cb 0.17 -3.64 -0.20 0.00 0.01 0.00 0.00 42.46 38.80 2dbh s ILE 59 CO 0.78 -0.36 1.17 1.55 0.00 0.00 0.00 174.94 178.08 2dbh h PRO 60 N 12.10 0.45 -7.15 2.79 0.13 -1.86 -3.45 132.00 135.01 2dbh h PRO 60 Ca -0.34 -0.41 -0.42 0.00 -0.87 0.00 0.00 66.00 63.95 2dbh h PRO 60 Cb 1.17 0.10 0.21 0.00 0.13 0.00 0.00 31.00 32.60 2dbh h PRO 60 CO 1.02 1.06 -0.01 -0.65 -0.23 0.00 0.00 178.00 179.19 2dbh s GLN 61 N -3.47 -1.41 -0.25 0.86 -0.21 -1.26 -5.00 119.66 108.92 2dbh s GLN 61 Ca -0.13 0.56 0.03 0.00 0.02 0.00 0.00 55.36 55.83 2dbh s GLN 61 Cb 0.04 -1.52 -0.17 0.00 1.00 0.00 0.00 33.01 32.37 2dbh s GLN 61 CO 0.82 -3.97 -0.21 0.00 -2.12 0.00 0.00 175.29 169.80 2dbh n ALA 62 N -5.05 1.46 -0.11 6.09 0.00 -1.26 -3.77 120.51 117.87 2dbh n ALA 62 Ca 0.06 -1.09 -0.10 0.00 0.00 0.00 0.00 53.44 52.31 2dbh n ALA 62 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2dbh n ALA 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dbh h GLU 63 N 0.00 0.49 0.00 0.00 5.08 -1.99 -2.74 114.58 115.43 2dbh h GLU 63 Ca -0.56 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 57.59 2dbh h GLU 63 Cb 1.89 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 2dbh h GLU 63 CO -0.08 0.52 -0.48 -0.44 -1.00 0.00 0.00 179.01 177.52 2dbh h ASP 64 N 0.37 0.00 -0.53 1.42 3.32 -1.98 -2.92 116.42 116.09 2dbh h ASP 64 Ca 0.10 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.18 2dbh h ASP 64 Cb 0.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2dbh h ASP 64 CO -0.01 0.48 0.35 0.50 -1.72 0.00 0.00 179.24 178.85 2dbh h LYS 65 N 0.00 0.63 -0.04 3.56 3.64 -1.58 -1.41 116.57 121.37 2dbh h LYS 65 Ca -0.00 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 2dbh h LYS 65 Cb 0.86 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2dbh h LYS 65 CO 0.06 0.42 -0.64 1.25 -2.27 0.00 0.00 179.45 178.27 2dbh h LEU 66 N 0.65 0.21 -1.60 5.20 5.85 -1.37 -2.60 115.31 121.64 2dbh h LEU 66 Ca 0.21 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2dbh h LEU 66 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2dbh h LEU 66 CO -0.05 0.80 0.20 -0.78 -0.34 0.00 0.00 178.44 178.26 2dbh h ASP 67 N 0.13 0.41 0.31 1.25 1.82 -1.26 -1.39 116.42 117.68 2dbh h ASP 67 Ca -0.01 -0.02 -0.33 0.00 -0.39 0.00 0.00 57.03 56.28 2dbh h ASP 67 Cb 1.16 -0.10 0.02 0.00 0.68 0.00 0.00 39.33 41.09 2dbh h ASP 67 CO 0.10 0.32 -1.54 -0.09 -1.61 0.00 0.00 179.24 176.42 2dbh h ARG 68 N 0.47 0.43 -0.93 0.28 9.65 -1.42 -3.05 114.38 119.81 2dbh h ARG 68 Ca 0.13 -0.74 0.01 0.00 -1.10 0.00 0.00 59.98 58.27 2dbh h ARG 68 Cb -0.01 0.28 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 2dbh h ARG 68 CO -0.02 1.34 0.62 1.25 2.80 0.00 0.00 179.97 185.95 2dbh h LEU 69 N 0.12 1.08 -0.65 3.80 5.85 -1.07 -1.70 115.31 122.74 2dbh h LEU 69 Ca -0.27 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 2dbh h LEU 69 Cb 2.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 2dbh h LEU 69 CO 0.23 0.78 -0.59 -0.26 -0.34 0.00 0.00 178.44 178.26 2dbh h PHE 70 N 1.27 0.00 -0.35 1.25 -1.00 -1.37 -2.27 116.94 114.46 2dbh h PHE 70 Ca 0.34 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.07 2dbh h PHE 70 Cb -0.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 2dbh h PHE 70 CO 0.00 0.59 0.02 1.49 -1.61 0.00 0.00 178.31 178.80 2dbh h GLU 71 N 0.00 0.61 0.07 1.51 4.22 -1.21 0.83 114.58 120.61 2dbh h GLU 71 Ca -0.01 -0.19 -0.00 0.00 0.08 0.00 0.00 59.36 59.24 2dbh h GLU 71 Cb 1.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2dbh h GLU 71 CO 0.08 0.72 -0.03 0.82 -2.18 0.00 0.00 179.01 178.41 2dbh h ILE 72 N 0.43 1.23 0.00 2.32 2.04 -1.42 -3.26 117.51 118.85 2dbh h ILE 72 Ca 0.10 -1.35 -0.08 0.00 1.00 0.00 0.00 64.86 64.53 2dbh h ILE 72 Cb 0.43 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2dbh h ILE 72 CO 0.01 0.32 -0.39 0.40 0.00 0.00 0.00 178.15 178.49 2dbh h ILE 73 N -0.74 1.27 -0.01 -0.67 1.08 -1.47 -2.72 117.51 114.25 2dbh h ILE 73 Ca -0.01 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2dbh h ILE 73 Cb 0.59 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2dbh h ILE 73 CO 0.02 0.38 0.01 1.23 -0.69 0.00 0.00 178.15 179.10 2dbh h GLY 74 N 1.20 0.00 -1.52 5.37 0.00 0.64 -2.07 103.07 106.69 2dbh h GLY 74 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2dbh h GLY 74 CO 0.05 0.00 -0.55 3.33 0.00 0.00 0.00 176.54 179.37 2dbh n VAL 75 N -3.96 2.27 -0.05 4.60 0.24 -1.04 -3.37 118.33 117.02 2dbh n VAL 75 Ca -0.03 -3.42 -0.06 0.00 -2.04 0.00 0.00 64.34 58.79 2dbh n VAL 75 Cb 0.10 -0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 32.04 2dbh n VAL 75 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2dbh n LYS 76 N -1.04 0.34 -3.62 7.34 4.81 -0.78 -5.06 118.16 120.15 2dbh n LYS 76 Ca 0.24 0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.80 2dbh n LYS 76 Cb 0.75 -1.07 -0.01 0.00 0.02 0.00 0.00 35.03 34.71 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dbh s SER 77 N -5.43 -0.09 0.44 3.14 0.15 -1.25 -5.01 113.70 105.64 2dbh s SER 77 Ca -0.18 -0.10 0.18 0.00 0.70 0.00 0.00 55.95 56.55 2dbh s SER 77 Cb 0.03 0.17 1.01 0.00 -1.71 0.00 0.00 66.02 65.52 2dbh s SER 77 CO 0.27 -0.31 1.93 -0.61 1.20 0.00 0.00 173.24 175.73 2dbh h GLN 78 N 2.00 0.00 -0.07 5.44 4.15 -1.96 -0.77 115.11 123.89 2dbh h GLN 78 Ca -0.23 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 2dbh h GLN 78 Cb 1.19 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 2dbh h GLN 78 CO 0.26 0.25 -0.03 1.49 -1.93 0.00 0.00 178.83 178.87 2dbh h GLU 79 N 0.00 0.15 -0.01 1.69 4.81 -1.97 -0.49 114.58 118.76 2dbh h GLU 79 Ca -0.00 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 2dbh h GLU 79 Cb 0.51 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2dbh h GLU 79 CO 0.03 0.51 -0.64 0.00 -0.73 0.00 0.00 179.01 178.18 2dbh h ALA 80 N 0.63 0.91 0.12 2.92 0.00 -1.87 -2.45 119.26 119.52 2dbh h ALA 80 Ca 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2dbh h ALA 80 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dbh h ALA 80 CO 0.01 0.79 -0.06 1.03 0.00 0.00 0.00 179.25 181.02 2dbh h SER 81 N 0.03 -0.13 -0.42 0.00 0.87 -1.11 -0.59 113.55 112.20 2dbh h SER 81 Ca -0.01 -0.40 0.01 0.00 -1.23 0.00 0.00 61.79 60.17 2dbh h SER 81 Cb 1.14 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 2dbh h SER 81 CO 0.09 0.37 0.26 -0.61 -0.53 0.00 0.00 176.83 176.41 2dbh h GLN 82 N -0.68 0.52 -0.48 2.24 5.75 -1.14 -1.81 115.11 119.50 2dbh h GLN 82 Ca -0.02 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 2dbh h GLN 82 Cb 0.52 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2dbh h GLN 82 CO 0.03 0.34 -0.03 1.15 -2.65 0.00 0.00 178.83 177.67 2dbh h THR 83 N 0.53 1.25 -0.21 2.39 2.02 -1.51 0.16 112.91 117.54 2dbh h THR 83 Ca 0.16 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2dbh h THR 83 Cb -0.02 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2dbh h THR 83 CO -0.06 0.37 0.13 0.25 0.37 0.00 0.00 175.52 176.59 2dbh h LEU 84 N 0.76 0.24 -0.34 2.58 5.85 -0.62 0.36 115.31 124.14 2dbh h LEU 84 Ca 0.14 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 2dbh h LEU 84 Cb 0.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2dbh h LEU 84 CO 0.03 0.19 -0.82 -0.07 -0.34 0.00 0.00 178.44 177.43 2dbh h LEU 85 N 0.27 0.34 -0.45 2.25 3.38 -1.22 -3.21 115.31 116.67 2dbh h LEU 85 Ca 0.08 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2dbh h LEU 85 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dbh h LEU 85 CO -0.02 1.02 -0.32 -0.78 0.09 0.00 0.00 178.44 178.44 2dbh h ASP 86 N 0.16 1.00 -0.11 -0.43 1.82 -0.45 -2.93 116.42 115.49 2dbh h ASP 86 Ca -0.04 -0.42 -0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2dbh h ASP 86 Cb 1.43 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 2dbh h ASP 86 CO 0.13 1.22 0.07 -1.28 -1.61 0.00 0.00 179.24 177.77 2dbh h SER 87 N 0.79 0.13 0.91 2.28 0.87 -0.32 0.35 113.55 118.57 2dbh h SER 87 Ca 0.08 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2dbh h SER 87 Cb 0.90 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2dbh h SER 87 CO 0.08 0.10 -0.44 0.58 -0.53 0.00 0.00 176.83 176.62 2dbh h VAL 88 N 0.15 0.00 -0.05 2.23 2.07 -1.52 -0.88 116.25 118.25 2dbh h VAL 88 Ca 0.04 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 2dbh h VAL 88 Cb -0.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 2dbh h VAL 88 CO -0.01 0.00 -0.55 1.88 0.02 0.00 0.00 177.57 178.92 2dbh h TYR 89 N -1.31 0.18 -0.05 1.57 0.05 -1.55 0.26 116.97 116.13 2dbh h TYR 89 Ca -0.12 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.55 2dbh h TYR 89 Cb 0.94 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 2dbh h TYR 89 CO 0.00 0.66 -0.19 1.03 -1.05 0.00 0.00 178.16 178.61 2dbh h SER 90 N 0.11 0.07 0.09 3.88 0.87 -0.26 -3.02 113.55 115.29 2dbh h SER 90 Ca -0.00 -0.02 -0.36 0.00 -1.23 0.00 0.00 61.79 60.19 2dbh h SER 90 Cb 1.00 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.88 2dbh h SER 90 CO 0.08 0.27 -2.27 1.41 -0.53 0.00 0.00 176.83 175.80 2dbh n HIS 91 N -4.28 0.21 -3.88 2.24 8.25 -0.34 -4.75 115.22 112.67 2dbh n HIS 91 Ca -0.02 0.07 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 2dbh n HIS 91 Cb 0.27 -1.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.21 2dbh n HIS 91 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dbh s LEU 92 N -5.73 3.96 0.32 2.41 1.43 0.90 -4.94 118.68 117.03 2dbh s LEU 92 Ca -0.12 -3.02 0.12 0.00 -1.03 0.00 0.00 54.13 50.09 2dbh s LEU 92 Cb 0.07 -1.49 0.53 0.00 0.03 0.00 0.00 46.19 45.33 2dbh s LEU 92 CO 0.81 -0.22 1.71 1.55 0.23 0.00 0.00 176.35 180.42 2dbh h PRO 93 N 6.42 0.00 -0.02 1.29 0.13 -1.79 -2.96 132.00 135.07 2dbh h PRO 93 Ca -0.04 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2dbh h PRO 93 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 2dbh h PRO 93 CO 0.64 0.50 0.02 -0.44 -0.23 0.00 0.00 178.00 178.49 2dbh h ASP 94 N 0.00 0.00 -0.40 1.44 5.19 -1.92 -1.48 116.42 119.25 2dbh h ASP 94 Ca -0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 2dbh h ASP 94 Cb 0.91 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.41 2dbh h ASP 94 CO 0.06 0.00 0.28 -0.07 -3.12 0.00 0.00 179.24 176.40 2dbh h LEU 95 N 0.00 0.06 -7.03 1.55 3.38 -1.90 -3.41 115.31 107.96 2dbh h LEU 95 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dbh h LEU 95 Cb 0.04 -0.01 -0.22 0.00 0.09 0.00 0.00 40.66 40.57 2dbh h LEU 95 CO -0.00 0.03 -0.05 -0.22 0.09 0.00 0.00 178.44 178.29 2dbh s LEU 96 N -8.93 -0.86 -0.26 1.67 0.20 -0.56 -5.10 118.68 104.83 2dbh s LEU 96 Ca -0.05 1.43 -0.23 0.00 0.69 0.00 0.00 54.13 55.97 2dbh s LEU 96 Cb 0.19 2.22 0.07 0.00 -0.43 0.00 0.00 46.19 48.24 2dbh s LEU 96 CO 0.72 -0.23 0.70 -0.44 -0.29 0.00 0.00 176.35 176.80 2dbh s SER 97 N 1.81 -0.76 0.00 3.68 0.01 -1.26 -4.84 113.70 112.34 2dbh s SER 97 Ca -0.09 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.59 2dbh s SER 97 Cb -0.07 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.58 2dbh s SER 97 CO -0.19 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2dbh n GLY 98 N 2.96 2.25 3.72 3.44 0.00 -1.26 -5.01 105.19 111.29 2dbh n GLY 98 Ca -0.15 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.52 4.45 0.26 1.61 0.04 -1.26 -5.03 135.00 130.54 2dbh s PRO 99 Ca 0.00 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 2dbh s PRO 99 Cb 0.00 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 2dbh s PRO 99 CO 0.00 -0.22 0.66 -1.12 0.04 0.00 0.00 177.00 176.36 2dbh s SER 100 N 0.87 6.80 -0.00 6.66 0.01 -1.26 -5.04 113.70 121.74 2dbh s SER 100 Ca 0.58 1.19 -0.01 0.00 1.31 0.00 0.00 55.95 59.02 2dbh s SER 100 Cb -0.30 -2.34 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 2dbh s SER 100 CO 0.30 -0.09 0.33 0.77 0.41 0.00 0.00 173.24 174.96 2dbh h SER 101 N 2.72 -0.02 0.00 2.44 4.64 -2.05 -3.56 113.55 117.71 2dbh h SER 101 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2dbh h SER 101 Cb 1.18 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2dbh h SER 101 CO 0.66 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.24