#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh s SER 2 N 0.00 7.24 -0.36 1.61 1.04 -1.26 -5.01 113.70 116.96 2dbh s SER 2 Ca 0.00 1.52 0.03 0.00 0.48 0.00 0.00 55.95 57.98 2dbh s SER 2 Cb 0.00 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.67 2dbh s SER 2 CO 0.00 -0.45 0.09 -0.44 0.98 0.00 0.00 173.24 173.42 2dbh s SER 3 N 1.10 4.49 0.00 7.02 0.01 -1.26 -4.84 113.70 120.22 2dbh s SER 3 Ca 0.48 -2.16 0.00 0.00 1.31 0.00 0.00 55.95 55.58 2dbh s SER 3 Cb -0.18 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2dbh s SER 3 CO 0.18 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2dbh n GLY 4 N 4.23 -0.76 3.71 3.44 0.00 -1.26 -5.13 105.19 109.42 2dbh n GLY 4 Ca 0.03 0.38 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 2dbh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbh s SER 5 N 0.00 5.54 -0.26 1.61 0.01 -1.26 -5.09 113.70 114.25 2dbh s SER 5 Ca 0.00 0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.43 2dbh s SER 5 Cb 0.00 -1.70 0.15 0.00 0.21 0.00 0.00 66.02 64.68 2dbh s SER 5 CO 0.00 0.35 0.49 -0.44 0.41 0.00 0.00 173.24 174.05 2dbh s SER 6 N -0.68 -0.56 -0.01 2.44 0.01 -1.26 -5.04 113.70 108.61 2dbh s SER 6 Ca 0.11 0.67 -0.02 0.00 1.31 0.00 0.00 55.95 58.02 2dbh s SER 6 Cb -0.12 1.64 -0.00 0.00 0.21 0.00 0.00 66.02 67.76 2dbh s SER 6 CO 0.02 -0.27 0.04 -0.83 0.41 0.00 0.00 173.24 172.62 2dbh s GLY 7 N 2.70 0.03 -0.30 3.44 0.00 -1.26 -5.14 107.32 106.79 2dbh s GLY 7 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.70 2dbh s GLY 7 CO -0.18 -0.08 0.68 -0.45 0.00 0.00 0.00 173.10 173.07 2dbh s SER 8 N -0.43 -1.09 -0.49 1.64 0.15 -1.26 -5.11 113.70 107.11 2dbh s SER 8 Ca -0.05 1.52 -0.27 0.00 0.70 0.00 0.00 55.95 57.85 2dbh s SER 8 Cb -0.03 2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 66.42 2dbh s SER 8 CO -0.00 -0.21 1.95 -0.94 1.20 0.00 0.00 173.24 175.23 2dbh s SER 9 N 2.74 5.33 -0.18 5.45 1.04 -1.26 -4.92 113.70 121.90 2dbh s SER 9 Ca -0.06 0.83 -0.20 0.00 0.48 0.00 0.00 55.95 57.00 2dbh s SER 9 Cb -0.11 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.54 2dbh s SER 9 CO -0.19 -2.24 0.54 0.00 0.98 0.00 0.00 173.24 172.34 2dbh s ALA 10 N 8.89 -1.35 0.53 5.32 0.00 -1.26 -5.18 121.76 128.71 2dbh s ALA 10 Ca 0.78 1.44 0.08 0.00 0.00 0.00 0.00 51.96 54.26 2dbh s ALA 10 Cb -0.17 -0.75 0.08 0.00 0.00 0.00 0.00 23.12 22.28 2dbh s ALA 10 CO 0.26 -0.27 0.69 1.28 0.00 0.00 0.00 175.76 177.73 2dbh n LEU 11 N 2.50 0.00 -3.47 0.00 4.32 -1.26 -5.12 117.00 113.97 2dbh n LEU 11 Ca -0.15 -2.34 -0.24 0.00 -0.02 0.00 0.00 56.01 53.27 2dbh n LEU 11 Cb 0.56 -0.35 -0.12 0.00 -1.62 0.00 0.00 43.42 41.89 2dbh n LEU 11 CO 0.11 -0.68 -0.26 -0.44 -1.22 0.00 0.00 177.39 174.90 2dbh s SER 12 N -4.26 2.66 0.00 -1.43 0.01 -1.26 -5.00 113.70 104.41 2dbh s SER 12 Ca 0.53 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dbh s SER 12 Cb -0.04 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2dbh s SER 12 CO 0.33 -0.41 0.00 0.54 0.41 0.00 0.00 173.24 174.12 2dbh n ARG 13 N 5.18 0.00 -2.16 12.44 1.74 -1.26 -4.77 116.66 127.83 2dbh n ARG 13 Ca -0.03 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 2dbh n ARG 13 Cb 0.44 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 2dbh n ARG 13 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2dbh s ASN 14 N -3.55 6.83 0.00 0.55 0.01 -1.26 -2.92 114.94 114.60 2dbh s ASN 14 Ca 0.00 2.44 0.00 0.00 -0.71 0.00 0.00 52.86 54.59 2dbh s ASN 14 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2dbh s ASN 14 CO 0.00 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 175.61 2dbh n GLY 15 N 2.58 2.82 3.44 0.66 0.00 -1.26 -4.95 105.19 108.48 2dbh n GLY 15 Ca 0.07 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 2dbh n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbh s SER 16 N 0.18 4.09 -0.10 1.61 0.15 -1.15 -4.98 113.70 113.49 2dbh s SER 16 Ca 0.00 -0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 2dbh s SER 16 Cb 0.00 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 63.07 2dbh s SER 16 CO 0.00 0.27 -0.12 0.49 1.20 0.00 0.00 173.24 175.08 2dbh n PHE 17 N 2.80 0.00 -4.31 3.44 3.72 -1.21 -4.55 117.46 117.35 2dbh n PHE 17 Ca -0.18 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 56.99 2dbh n PHE 17 Cb 0.52 -0.38 -0.12 0.00 -0.94 0.00 0.00 39.48 38.57 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 -2.19 1.79 0.34 4.37 1.01 -1.10 -5.01 121.20 120.41 2dbh s ILE 18 Ca -0.14 -1.74 0.01 0.00 0.00 0.00 0.00 60.65 58.78 2dbh s ILE 18 Cb 0.05 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2dbh s ILE 18 CO 0.20 -0.18 0.06 0.35 0.00 0.00 0.00 174.94 175.37 2dbh n THR 19 N 0.69 0.00 0.07 2.92 -2.24 -1.26 -4.91 114.28 109.55 2dbh n THR 19 Ca -0.16 -1.57 -0.10 0.00 -2.27 0.00 0.00 64.05 59.95 2dbh n THR 19 Cb 0.55 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 2dbh n THR 19 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2dbh h LYS 20 N 0.00 0.09 -0.46 -0.78 3.64 -2.01 -3.28 116.57 113.77 2dbh h LYS 20 Ca -0.27 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2dbh h LYS 20 Cb 0.85 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2dbh h LYS 20 CO 0.45 1.04 0.25 1.49 -2.27 0.00 0.00 179.45 180.41 2dbh h GLU 21 N 0.03 0.63 0.67 1.90 4.81 -1.98 -1.82 114.58 118.80 2dbh h GLU 21 Ca -0.08 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2dbh h GLU 21 Cb 1.86 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 31.11 2dbh h GLU 21 CO 0.15 0.47 -0.32 0.87 -0.73 0.00 0.00 179.01 179.45 2dbh h LYS 22 N 0.64 -0.86 -0.39 1.92 1.57 -1.98 -2.87 116.57 114.59 2dbh h LYS 22 Ca 0.16 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 2dbh h LYS 22 Cb 0.02 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2dbh h LYS 22 CO -0.03 -0.58 0.35 0.87 -0.57 0.00 0.00 179.45 179.50 2dbh h LYS 23 N -1.07 0.00 0.00 3.15 1.57 -1.63 0.27 116.57 118.86 2dbh h LYS 23 Ca -0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2dbh h LYS 23 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2dbh h LYS 23 CO 0.15 0.00 -0.28 0.22 -0.57 0.00 0.00 179.45 178.97 2dbh h ASP 24 N 0.00 0.00 0.15 0.86 1.82 -1.16 -3.09 116.42 114.99 2dbh h ASP 24 Ca 0.19 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.48 2dbh h ASP 24 Cb 0.89 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.84 2dbh h ASP 24 CO -0.00 0.28 -2.18 0.41 -1.61 0.00 0.00 179.24 176.15 2dbh n THR 25 N -3.66 1.49 0.00 2.25 -1.04 0.79 -3.77 114.28 110.35 2dbh n THR 25 Ca -0.01 -0.80 0.10 0.00 -2.04 0.00 0.00 64.05 61.31 2dbh n THR 25 Cb 0.40 -0.82 0.53 0.00 -1.82 0.00 0.00 70.33 68.62 2dbh n THR 25 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2dbh h VAL 26 N 0.00 0.95 0.02 12.58 2.07 -1.01 -1.52 116.25 129.34 2dbh h VAL 26 Ca -0.47 -0.11 -0.26 0.00 0.82 0.00 0.00 66.70 66.68 2dbh h VAL 26 Cb 2.13 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2dbh h VAL 26 CO 0.03 0.06 -1.39 -0.07 0.02 0.00 0.00 177.57 176.23 2dbh h LEU 27 N 0.33 0.06 -1.79 2.57 3.38 -1.72 -3.31 115.31 114.83 2dbh h LEU 27 Ca 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2dbh h LEU 27 Cb 0.36 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dbh h LEU 27 CO -0.04 1.08 -0.04 -0.09 0.09 0.00 0.00 178.44 179.43 2dbh h ARG 28 N 0.01 0.08 -0.08 1.13 2.43 -1.38 0.85 114.38 117.42 2dbh h ARG 28 Ca -0.16 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.83 2dbh h ARG 28 Cb 1.91 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 2dbh h ARG 28 CO 0.11 0.13 -0.66 1.96 -1.51 0.00 0.00 179.97 180.01 2dbh h GLN 29 N 0.08 0.32 0.04 0.20 4.20 -1.54 -2.80 115.11 115.61 2dbh h GLN 29 Ca 0.02 -0.24 -0.31 0.00 0.06 0.00 0.00 58.65 58.18 2dbh h GLN 29 Cb 0.13 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2dbh h GLN 29 CO 0.01 0.86 -1.74 0.28 -0.67 0.00 0.00 178.83 177.57 2dbh h VAL 30 N 0.23 0.84 -0.58 -0.54 2.07 -1.44 -3.31 116.25 113.51 2dbh h VAL 30 Ca -0.01 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 2dbh h VAL 30 Cb 1.20 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 33.42 2dbh h VAL 30 CO 0.11 0.63 0.29 0.03 0.02 0.00 0.00 177.57 178.64 2dbh h ARG 31 N 0.02 0.84 -0.39 1.57 3.08 0.64 -0.70 114.38 119.44 2dbh h ARG 31 Ca -0.31 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 2dbh h ARG 31 Cb 2.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.89 2dbh h ARG 31 CO 0.09 0.67 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.59 2dbh h LEU 32 N 0.79 0.58 -6.35 3.04 3.38 -1.66 -3.39 115.31 111.71 2dbh h LEU 32 Ca 0.20 -0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.72 2dbh h LEU 32 Cb 0.11 -0.15 -0.30 0.00 0.09 0.00 0.00 40.66 40.40 2dbh h LEU 32 CO -0.03 0.66 -0.66 -0.62 0.09 0.00 0.00 178.44 177.89 2dbh s ASP 33 N -6.70 1.03 0.50 -0.43 -1.08 -0.97 -5.13 116.67 103.88 2dbh s ASP 33 Ca -0.08 -1.34 -0.21 0.00 -0.52 0.00 0.00 52.55 50.40 2dbh s ASP 33 Cb 0.15 0.67 -0.07 0.00 -1.46 0.00 0.00 42.92 42.21 2dbh s ASP 33 CO 0.78 -0.28 1.14 -2.16 0.52 0.00 0.00 175.17 175.17 2dbh s PRO 34 N 1.66 3.57 0.00 4.34 0.04 -0.31 -4.59 135.00 139.70 2dbh s PRO 34 Ca 0.15 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2dbh s PRO 34 Cb -0.14 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2dbh s PRO 34 CO -0.10 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.26 2dbh s ASP 36 N -0.21 -0.44 -0.28 0.00 2.15 -1.26 -5.07 116.67 111.56 2dbh s ASP 36 Ca 0.00 0.40 0.21 0.00 0.43 0.00 0.00 52.55 53.59 2dbh s ASP 36 Cb 0.00 0.37 0.49 0.00 -0.30 0.00 0.00 42.92 43.48 2dbh s ASP 36 CO 0.00 -0.45 1.16 0.18 -0.17 0.00 0.00 175.17 175.89 2dbh n LEU 37 N 0.60 1.07 -0.09 -1.34 4.77 -1.26 -4.92 117.00 115.83 2dbh n LEU 37 Ca -0.12 -3.12 -0.17 0.00 -0.03 0.00 0.00 56.01 52.57 2dbh n LEU 37 Cb 0.58 0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.99 2dbh n LEU 37 CO 0.17 1.19 -0.25 -0.61 -1.33 0.00 0.00 177.39 176.57 2dbh h GLN 38 N 2.41 0.00 -0.36 3.23 5.75 -1.99 -3.24 115.11 120.92 2dbh h GLN 38 Ca -0.18 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.42 2dbh h GLN 38 Cb 1.27 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 2dbh h GLN 38 CO 0.16 0.82 0.32 -1.35 -2.65 0.00 0.00 178.83 176.12 2dbh h PRO 39 N -1.00 0.00 0.00 -2.39 0.11 -1.97 0.60 132.00 127.35 2dbh h PRO 39 Ca -0.20 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.70 2dbh h PRO 39 Cb 1.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2dbh h PRO 39 CO -0.12 0.00 -1.03 0.82 -0.21 0.00 0.00 178.00 177.45 2dbh h ILE 40 N 0.00 1.48 0.06 4.15 2.04 -1.87 -3.02 117.51 120.35 2dbh h ILE 40 Ca 0.17 -3.16 -0.27 0.00 1.00 0.00 0.00 64.86 62.61 2dbh h ILE 40 Cb 0.80 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 2dbh h ILE 40 CO -0.00 0.84 -1.42 -0.26 0.00 0.00 0.00 178.15 177.31 2dbh h PHE 41 N 0.00 0.24 0.00 1.37 0.04 -0.98 -2.64 116.94 114.97 2dbh h PHE 41 Ca -0.05 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2dbh h PHE 41 Cb 1.75 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.89 2dbh h PHE 41 CO 0.00 1.56 0.00 0.22 -0.60 0.00 0.00 178.31 179.49 2dbh h ASP 42 N -0.55 0.00 0.00 2.17 3.58 -0.05 0.94 116.42 122.51 2dbh h ASP 42 Ca -0.34 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.78 2dbh h ASP 42 Cb 1.59 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.58 2dbh h ASP 42 CO -0.05 0.00 -2.30 -0.67 -2.88 0.00 0.00 179.24 173.33 2dbh n ASP 43 N -2.60 0.23 0.01 2.28 2.03 -1.14 -4.47 116.55 112.90 2dbh n ASP 43 Ca -0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2dbh n ASP 43 Cb 0.17 1.04 -0.10 0.00 -0.72 0.00 0.00 41.12 41.51 2dbh n ASP 43 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2dbh n MET 44 N -2.69 0.64 0.02 -0.67 2.81 -0.99 -4.16 117.12 112.08 2dbh n MET 44 Ca -0.30 0.05 0.20 0.00 -1.81 0.00 0.00 57.70 55.84 2dbh n MET 44 Cb 1.09 -1.69 0.69 0.00 -0.71 0.00 0.00 33.22 32.61 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 -1.07 4.03 3.38 0.70 0.15 115.31 122.51 2dbh h LEU 45 Ca -0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2dbh h LEU 45 Cb 1.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2dbh h LEU 45 CO 0.02 0.00 -0.45 -0.74 0.09 0.00 0.00 178.44 177.36 2dbh h HIS 46 N 0.00 0.05 -0.50 1.13 2.76 -1.79 -3.02 115.15 113.77 2dbh h HIS 46 Ca 0.23 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.28 2dbh h HIS 46 Cb 0.96 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.89 2dbh h HIS 46 CO 0.00 0.48 -0.13 0.74 -1.30 0.00 0.00 177.93 177.72 2dbh h PHE 47 N 0.03 1.09 -4.20 5.26 -1.00 -0.93 -3.44 116.94 113.75 2dbh h PHE 47 Ca -0.00 -0.24 -0.48 0.00 2.81 0.00 0.00 57.97 60.06 2dbh h PHE 47 Cb 0.81 -0.26 0.13 0.00 3.61 0.00 0.00 35.95 40.23 2dbh h PHE 47 CO 0.00 1.04 0.30 -0.51 -1.61 0.00 0.00 178.31 177.53 2dbh s LEU 48 N -9.19 2.38 0.36 1.54 1.43 -1.14 -5.08 118.68 108.97 2dbh s LEU 48 Ca -0.12 1.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.37 2dbh s LEU 48 Cb 0.12 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2dbh s LEU 48 CO 0.86 -2.30 0.30 0.20 0.23 0.00 0.00 176.35 175.64 2dbh s ASN 49 N -3.76 5.17 0.13 2.29 0.01 -1.26 -4.96 114.94 112.57 2dbh s ASN 49 Ca 0.62 -0.59 -0.26 0.00 -0.71 0.00 0.00 52.86 51.93 2dbh s ASN 49 Cb -0.16 -0.85 -0.03 0.00 0.41 0.00 0.00 41.25 40.63 2dbh s ASN 49 CO 0.55 -0.42 1.62 -0.65 -1.51 0.00 0.00 177.10 176.68 2dbh h PRO 50 N 1.22 -0.38 -0.96 -0.60 0.11 -1.98 0.20 132.00 129.61 2dbh h PRO 50 Ca -0.44 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.71 2dbh h PRO 50 Cb 1.26 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 2dbh h PRO 50 CO 0.59 -0.25 0.64 0.93 -0.21 0.00 0.00 178.00 179.69 2dbh h GLU 51 N -0.40 1.26 -0.33 1.05 5.08 -2.01 -2.02 114.58 117.20 2dbh h GLU 51 Ca 0.09 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2dbh h GLU 51 Cb 0.53 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2dbh h GLU 51 CO -0.32 0.83 -0.09 0.93 -1.00 0.00 0.00 179.01 179.36 2dbh h GLU 52 N 1.29 0.56 0.00 2.33 5.08 -1.77 -2.41 114.58 119.66 2dbh h GLU 52 Ca 0.35 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2dbh h GLU 52 Cb -0.14 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2dbh h GLU 52 CO -0.08 0.65 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.36 2dbh h LEU 53 N 0.52 0.00 -1.30 1.33 3.38 0.11 -2.40 115.31 116.95 2dbh h LEU 53 Ca 0.10 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2dbh h LEU 53 Cb 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2dbh h LEU 53 CO 0.03 0.16 0.51 -0.09 0.09 0.00 0.00 178.44 179.13 2dbh h ARG 54 N 0.00 0.84 -0.00 1.13 2.43 -1.20 0.80 114.38 118.38 2dbh h ARG 54 Ca -0.00 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2dbh h ARG 54 Cb 0.30 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2dbh h ARG 54 CO 0.02 0.56 -0.48 0.28 -1.51 0.00 0.00 179.97 178.84 2dbh h VAL 55 N 0.87 1.35 0.01 0.20 2.07 -1.54 -2.91 116.25 116.30 2dbh h VAL 55 Ca 0.32 -1.65 -0.29 0.00 0.82 0.00 0.00 66.70 65.90 2dbh h VAL 55 Cb 0.17 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2dbh h VAL 55 CO -0.10 0.47 -1.65 0.40 0.02 0.00 0.00 177.57 176.71 2dbh h ILE 56 N 0.00 0.93 -0.19 4.57 2.04 -1.20 -3.35 117.51 120.32 2dbh h ILE 56 Ca -0.00 -2.76 -0.04 0.00 1.00 0.00 0.00 64.86 63.06 2dbh h ILE 56 Cb 0.85 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 2dbh h ILE 56 CO 0.06 0.58 -0.04 -0.33 0.00 0.00 0.00 178.15 178.42 2dbh h GLU 57 N 0.01 0.29 -0.45 2.37 4.39 0.63 -2.21 114.58 119.61 2dbh h GLU 57 Ca -0.26 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.48 2dbh h GLU 57 Cb 1.99 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.57 2dbh h GLU 57 CO 0.09 0.35 0.31 0.93 -1.16 0.00 0.00 179.01 179.53 2dbh h GLU 58 N 0.28 0.20 -6.47 2.33 5.08 -1.64 -3.38 114.58 110.97 2dbh h GLU 58 Ca 0.06 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.83 2dbh h GLU 58 Cb 0.26 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 2dbh h GLU 58 CO 0.01 0.13 0.79 0.42 -1.00 0.00 0.00 179.01 179.36 2dbh s ILE 59 N -5.21 4.33 0.06 3.13 1.01 -0.83 -4.92 121.20 118.76 2dbh s ILE 59 Ca -0.06 1.06 -0.17 0.00 0.00 0.00 0.00 60.65 61.47 2dbh s ILE 59 Cb 0.19 -4.53 -0.14 0.00 0.01 0.00 0.00 42.46 37.99 2dbh s ILE 59 CO 0.73 -0.92 1.32 1.55 0.00 0.00 0.00 174.94 177.62 2dbh h PRO 60 N 9.11 0.55 -7.16 2.79 0.13 -1.85 -3.44 132.00 132.12 2dbh h PRO 60 Ca -0.23 -0.35 -0.53 0.00 -0.87 0.00 0.00 66.00 64.01 2dbh h PRO 60 Cb 1.07 0.04 0.20 0.00 0.13 0.00 0.00 31.00 32.44 2dbh h PRO 60 CO 1.08 0.96 0.14 0.94 -0.23 0.00 0.00 178.00 180.90 2dbh n GLN 61 N -4.31 -0.16 -0.03 0.86 7.27 -1.26 -4.97 117.38 114.77 2dbh n GLN 61 Ca -0.06 0.02 -0.21 0.00 0.07 0.00 0.00 57.00 56.82 2dbh n GLN 61 Cb 0.50 -2.31 -0.13 0.00 2.41 0.00 0.00 30.24 30.71 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dbh h ALA 62 N -1.42 0.21 0.29 1.69 0.00 -1.99 -3.17 119.26 114.88 2dbh h ALA 62 Ca -0.44 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 53.35 2dbh h ALA 62 Cb 1.29 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2dbh h ALA 62 CO 0.42 0.76 -0.14 1.49 0.00 0.00 0.00 179.25 181.78 2dbh h GLU 63 N -0.53 -0.38 -0.06 0.00 4.57 -1.99 -2.37 114.58 113.82 2dbh h GLU 63 Ca -0.30 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2dbh h GLU 63 Cb 1.58 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 30.26 2dbh h GLU 63 CO -0.02 -0.25 0.01 0.22 -1.18 0.00 0.00 179.01 177.78 2dbh h ASP 64 N -0.40 0.07 -0.75 1.04 3.58 -1.98 -2.18 116.42 115.80 2dbh h ASP 64 Ca -0.04 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.42 2dbh h ASP 64 Cb 0.30 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 2dbh h ASP 64 CO 0.07 0.08 0.49 0.50 -2.88 0.00 0.00 179.24 177.50 2dbh h LYS 65 N 0.08 0.97 -0.22 0.28 3.64 -1.40 -1.87 116.57 118.06 2dbh h LYS 65 Ca 0.02 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2dbh h LYS 65 Cb 0.05 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2dbh h LYS 65 CO -0.00 0.64 0.01 1.25 -2.27 0.00 0.00 179.45 179.09 2dbh h LEU 66 N 1.00 0.29 -1.93 5.20 5.85 -1.14 -1.83 115.31 122.75 2dbh h LEU 66 Ca 0.28 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2dbh h LEU 66 Cb -0.09 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2dbh h LEU 66 CO -0.07 0.34 0.05 -0.78 -0.34 0.00 0.00 178.44 177.63 2dbh h ASP 67 N 0.32 0.08 0.79 1.25 1.82 -1.31 -1.74 116.42 117.63 2dbh h ASP 67 Ca 0.07 -0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.47 2dbh h ASP 67 Cb 0.19 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 2dbh h ASP 67 CO 0.00 0.06 -1.28 -0.09 -1.61 0.00 0.00 179.24 176.32 2dbh h ARG 68 N 0.10 0.01 -0.26 0.28 9.65 -1.31 -3.25 114.38 119.60 2dbh h ARG 68 Ca 0.03 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 2dbh h ARG 68 Cb -0.00 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2dbh h ARG 68 CO -0.01 0.83 0.20 1.25 2.80 0.00 0.00 179.97 185.04 2dbh h LEU 69 N 0.00 0.00 0.00 3.80 5.85 -0.95 -0.37 115.31 123.64 2dbh h LEU 69 Ca -0.12 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2dbh h LEU 69 Cb 1.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 2dbh h LEU 69 CO 0.11 0.00 -1.15 -0.26 -0.34 0.00 0.00 178.44 176.80 2dbh h PHE 70 N 0.00 0.00 -0.98 1.25 -1.00 -1.62 -3.18 116.94 111.42 2dbh h PHE 70 Ca 0.12 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.93 2dbh h PHE 70 Cb 0.51 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.02 2dbh h PHE 70 CO 0.00 0.40 0.64 1.49 -1.61 0.00 0.00 178.31 179.23 2dbh h GLU 71 N 0.00 1.23 0.00 1.51 4.81 -1.09 0.88 114.58 121.91 2dbh h GLU 71 Ca -0.10 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 2dbh h GLU 71 Cb 1.39 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2dbh h GLU 71 CO 0.03 0.81 -0.29 0.82 -0.73 0.00 0.00 179.01 179.65 2dbh h ILE 72 N 1.27 0.45 0.00 2.32 2.04 -1.67 -3.36 117.51 118.55 2dbh h ILE 72 Ca 0.38 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 2dbh h ILE 72 Cb -0.05 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2dbh h ILE 72 CO -0.11 0.15 -0.04 0.40 0.00 0.00 0.00 178.15 178.56 2dbh h ILE 73 N -1.00 0.76 -0.07 -0.67 2.04 -1.59 -1.90 117.51 115.08 2dbh h ILE 73 Ca -0.04 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2dbh h ILE 73 Cb 0.49 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2dbh h ILE 73 CO -0.03 0.04 0.06 1.23 0.00 0.00 0.00 178.15 179.45 2dbh h GLY 74 N 0.17 0.00 -4.12 5.37 0.00 0.65 -2.56 103.07 102.59 2dbh h GLY 74 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2dbh h GLY 74 CO 0.00 0.00 -0.87 3.33 0.00 0.00 0.00 176.54 179.01 2dbh n VAL 75 N -4.20 2.28 0.00 4.60 0.24 -0.72 -2.72 118.33 117.80 2dbh n VAL 75 Ca -0.01 -4.05 0.00 0.00 -2.04 0.00 0.00 64.34 58.24 2dbh n VAL 75 Cb 0.16 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 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 -0.66 0.00 -3.83 7.34 4.81 -0.96 -5.06 118.16 119.81 2dbh n LYS 76 Ca 0.37 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.74 2dbh n LYS 76 Cb 0.91 -0.16 0.01 0.00 0.02 0.00 0.00 35.03 35.81 2dbh n LYS 76 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2dbh s SER 77 N -2.99 -0.08 0.32 3.14 1.04 -1.26 -5.04 113.70 108.83 2dbh s SER 77 Ca 0.00 -0.89 0.17 0.00 0.48 0.00 0.00 55.95 55.71 2dbh s SER 77 Cb 0.00 0.75 0.13 0.00 0.10 0.00 0.00 66.02 67.01 2dbh s SER 77 CO 0.00 -1.46 1.46 0.06 0.98 0.00 0.00 173.24 174.28 2dbh h GLN 78 N 2.00 0.00 -0.09 4.02 3.07 -1.98 -1.19 115.11 120.95 2dbh h GLN 78 Ca -0.28 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.35 2dbh h GLN 78 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 2dbh h GLN 78 CO 0.34 0.34 -0.44 1.49 0.09 0.00 0.00 178.83 180.65 2dbh h GLU 79 N 0.00 0.20 0.00 0.06 4.22 -1.98 -2.42 114.58 114.66 2dbh h GLU 79 Ca -0.01 -0.10 -0.36 0.00 0.08 0.00 0.00 59.36 58.98 2dbh h GLU 79 Cb 1.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 2dbh h GLU 79 CO 0.04 0.61 -2.25 0.00 -2.18 0.00 0.00 179.01 175.23 2dbh n ALA 80 N -2.47 1.48 -0.04 2.92 0.00 -1.23 -3.72 120.51 117.45 2dbh n ALA 80 Ca -0.02 -1.19 -0.11 0.00 0.00 0.00 0.00 53.44 52.13 2dbh n ALA 80 Cb 0.50 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 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 0.22 -0.09 0.00 0.87 -1.23 0.56 113.55 113.88 2dbh h SER 81 Ca -0.50 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 59.87 2dbh h SER 81 Cb 2.17 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 64.07 2dbh h SER 81 CO 0.03 0.33 -0.03 -0.61 -0.53 0.00 0.00 176.83 176.03 2dbh h GLN 82 N 0.10 0.18 -0.23 2.24 -0.00 -1.64 -3.00 115.11 112.76 2dbh h GLN 82 Ca 0.05 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2dbh h GLN 82 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 2dbh h GLN 82 CO -0.00 0.51 0.13 1.15 0.00 0.00 0.00 178.83 180.61 2dbh h THR 83 N -0.16 1.07 0.50 2.39 2.02 -1.63 -0.62 112.91 116.48 2dbh h THR 83 Ca 0.02 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2dbh h THR 83 Cb 0.44 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2dbh h THR 83 CO 0.01 0.08 -0.26 0.25 0.37 0.00 0.00 175.52 175.97 2dbh h LEU 84 N 0.31 -0.61 -0.47 2.58 5.85 -0.75 0.58 115.31 122.79 2dbh h LEU 84 Ca 0.08 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2dbh h LEU 84 Cb 0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2dbh h LEU 84 CO -0.01 -0.43 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.49 2dbh h LEU 85 N -0.70 0.91 -0.97 2.25 3.38 -1.39 -2.92 115.31 115.87 2dbh h LEU 85 Ca -0.07 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 2dbh h LEU 85 Cb 0.54 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2dbh h LEU 85 CO 0.10 1.06 0.01 -0.78 0.09 0.00 0.00 178.44 178.91 2dbh h ASP 86 N 0.75 0.72 -0.12 -0.43 1.82 -1.02 -2.50 116.42 115.63 2dbh h ASP 86 Ca 0.12 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.56 2dbh h ASP 86 Cb 0.65 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 2dbh h ASP 86 CO 0.04 0.78 -0.01 -1.28 -1.61 0.00 0.00 179.24 177.17 2dbh h SER 87 N 0.70 0.31 -0.31 2.28 0.87 0.32 0.84 113.55 118.57 2dbh h SER 87 Ca 0.14 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 2dbh h SER 87 Cb 0.43 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2dbh h SER 87 CO 0.02 0.38 -0.23 0.58 -0.53 0.00 0.00 176.83 177.05 2dbh h VAL 88 N 0.33 1.30 0.00 2.23 2.07 -1.27 -2.45 116.25 118.46 2dbh h VAL 88 Ca 0.08 -1.37 -0.24 0.00 0.82 0.00 0.00 66.70 65.99 2dbh h VAL 88 Cb 0.24 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2dbh h VAL 88 CO 0.01 0.44 -1.21 1.88 0.02 0.00 0.00 177.57 178.71 2dbh h TYR 89 N 0.46 0.02 -0.22 1.57 -1.99 -1.30 -1.60 116.97 113.91 2dbh h TYR 89 Ca 0.06 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 2dbh h TYR 89 Cb 0.78 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 2dbh h TYR 89 CO 0.07 1.01 -0.17 1.03 -0.00 0.00 0.00 178.16 180.10 2dbh h SER 90 N 0.00 0.36 0.28 3.88 0.87 0.70 -3.09 113.55 116.55 2dbh h SER 90 Ca -0.09 -0.09 -0.33 0.00 -1.23 0.00 0.00 61.79 60.05 2dbh h SER 90 Cb 1.85 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.66 2dbh h SER 90 CO 0.12 0.55 -1.98 1.41 -0.53 0.00 0.00 176.83 176.40 2dbh n HIS 91 N -4.20 0.67 -3.63 2.24 8.25 -0.92 -4.68 115.22 112.95 2dbh n HIS 91 Ca -0.00 0.23 -0.38 0.00 -0.26 0.00 0.00 57.72 57.30 2dbh n HIS 91 Cb 0.33 -1.12 -0.08 0.00 1.12 0.00 0.00 29.99 30.24 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 -6.02 5.56 0.38 2.41 1.43 -0.60 -4.90 118.68 116.94 2dbh s LEU 92 Ca -0.09 -3.05 0.19 0.00 -1.03 0.00 0.00 54.13 50.15 2dbh s LEU 92 Cb 0.07 -1.93 0.72 0.00 0.03 0.00 0.00 46.19 45.09 2dbh s LEU 92 CO 0.81 -0.36 1.76 1.55 0.23 0.00 0.00 176.35 180.34 2dbh h PRO 93 N 6.90 0.00 -0.19 1.29 0.13 -1.79 -3.05 132.00 135.28 2dbh h PRO 93 Ca 0.05 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2dbh h PRO 93 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2dbh h PRO 93 CO 0.75 0.36 0.13 -0.44 -0.23 0.00 0.00 178.00 178.58 2dbh h ASP 94 N 0.00 0.12 -0.21 1.44 5.19 -1.90 -1.80 116.42 119.26 2dbh h ASP 94 Ca -0.00 -0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.21 2dbh h ASP 94 Cb 0.85 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.34 2dbh h ASP 94 CO 0.05 0.08 -0.60 -0.07 -3.12 0.00 0.00 179.24 175.58 2dbh h LEU 95 N 0.14 0.92 -7.00 1.55 3.38 -1.90 -3.47 115.31 108.93 2dbh h LEU 95 Ca 0.08 -0.52 0.12 0.00 0.09 0.00 0.00 57.88 57.65 2dbh h LEU 95 Cb 0.16 -0.27 -0.29 0.00 0.09 0.00 0.00 40.66 40.36 2dbh h LEU 95 CO -0.01 1.31 0.61 -0.22 0.09 0.00 0.00 178.44 180.22 2dbh s LEU 96 N -8.57 -0.29 0.00 1.67 0.20 -0.68 -5.07 118.68 105.94 2dbh s LEU 96 Ca -0.10 0.55 0.00 0.00 0.69 0.00 0.00 54.13 55.27 2dbh s LEU 96 Cb 0.10 1.54 0.00 0.00 -0.43 0.00 0.00 46.19 47.40 2dbh s LEU 96 CO 0.89 -0.09 0.00 -1.20 -0.29 0.00 0.00 176.35 175.66 2dbh n SER 97 N 2.23 0.00 0.00 3.68 7.64 -1.24 -4.51 113.62 121.42 2dbh n SER 97 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2dbh n SER 97 Cb 0.56 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2dbh n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbh n GLY 98 N -1.43 -1.60 0.26 0.23 0.00 -1.26 -5.04 105.19 96.35 2dbh n GLY 98 Ca 0.00 1.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.91 2dbh n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbh h PRO 99 N 0.00 0.86 -0.12 1.61 0.13 -1.99 -3.02 132.00 129.47 2dbh h PRO 99 Ca 0.00 -0.43 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2dbh h PRO 99 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dbh h PRO 99 CO 0.00 1.07 -0.12 0.66 -0.23 0.00 0.00 178.00 179.38 2dbh h SER 100 N 0.71 0.17 -4.86 1.44 4.64 -2.08 -3.48 113.55 110.10 2dbh h SER 100 Ca 0.07 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2dbh h SER 100 Cb 0.92 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.89 2dbh h SER 100 CO 0.08 0.31 -1.32 -1.20 -0.87 0.00 0.00 176.83 173.84 2dbh n SER 101 N -4.31 -4.66 0.00 4.97 7.64 -1.14 -5.31 113.62 110.81 2dbh n SER 101 Ca -0.01 1.59 0.00 0.00 1.01 0.00 0.00 58.87 61.46 2dbh n SER 101 Cb 0.24 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.19 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64