#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh n SER 2 N 0.00 0.00 -0.03 1.61 7.64 -1.26 -5.01 113.62 116.57 2dbh n SER 2 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dbh n SER 2 Cb 0.00 0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2dbh n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dbh h SER 3 N 0.00 -0.03 0.00 6.43 4.64 -2.12 -3.50 113.55 118.97 2dbh h SER 3 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dbh h SER 3 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2dbh h SER 3 CO 0.00 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 2dbh n GLY 4 N 1.73 0.73 3.73 -0.77 0.00 -1.26 -4.94 105.19 104.41 2dbh n GLY 4 Ca -0.00 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 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 -4.00 6.99 -0.38 1.61 0.15 -1.26 -4.96 113.70 111.85 2dbh s SER 5 Ca 0.00 1.19 0.06 0.00 0.70 0.00 0.00 55.95 57.90 2dbh s SER 5 Cb 0.00 -2.40 0.53 0.00 -1.71 0.00 0.00 66.02 62.44 2dbh s SER 5 CO 0.00 -0.03 1.60 -0.24 1.20 0.00 0.00 173.24 175.77 2dbh n SER 6 N 3.36 3.75 -4.62 5.45 2.88 -1.26 -4.98 113.62 118.19 2dbh n SER 6 Ca -0.03 -3.76 -0.34 0.00 -1.33 0.00 0.00 58.87 53.40 2dbh n SER 6 Cb 0.51 -0.69 -0.10 0.00 -0.75 0.00 0.00 64.21 63.18 2dbh n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dbh s GLY 7 N -2.34 1.84 0.93 0.46 0.00 -1.26 -5.11 107.32 101.85 2dbh s GLY 7 Ca 0.51 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 44.30 2dbh s GLY 7 CO 0.02 -0.21 1.29 -1.35 0.00 0.00 0.00 173.10 172.85 2dbh s SER 8 N -0.12 3.34 0.51 1.64 1.04 -1.26 -5.10 113.70 113.74 2dbh s SER 8 Ca 0.05 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.84 2dbh s SER 8 Cb -0.12 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2dbh s SER 8 CO 0.02 -2.60 0.23 -0.94 0.98 0.00 0.00 173.24 170.94 2dbh s SER 9 N -4.85 4.43 0.00 7.02 1.04 -1.26 -5.16 113.70 114.93 2dbh s SER 9 Ca 0.72 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2dbh s SER 9 Cb -0.05 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2dbh s SER 9 CO 0.52 -0.92 0.00 0.00 0.98 0.00 0.00 173.24 173.83 2dbh n ALA 10 N -1.50 0.00 -2.59 5.32 0.00 -1.26 -5.05 120.51 115.43 2dbh n ALA 10 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 2dbh n ALA 10 Cb 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 2dbh n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dbh s LEU 11 N 0.00 3.02 -1.19 0.00 1.02 -1.26 -4.60 118.68 115.67 2dbh s LEU 11 Ca 0.00 -0.68 -0.00 0.00 0.02 0.00 0.00 54.13 53.47 2dbh s LEU 11 Cb 0.00 -1.60 -0.00 0.00 0.02 0.00 0.00 46.19 44.61 2dbh s LEU 11 CO 0.00 0.04 0.99 -1.20 0.02 0.00 0.00 176.35 176.20 2dbh n SER 12 N -0.51 -2.07 0.05 2.29 7.64 -1.26 -4.89 113.62 114.87 2dbh n SER 12 Ca -0.08 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.19 2dbh n SER 12 Cb 0.58 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 2dbh n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dbh n ARG 13 N -4.09 0.00 -2.05 1.43 1.74 -1.26 -4.96 116.66 107.47 2dbh n ARG 13 Ca -0.29 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.81 2dbh n ARG 13 Cb 0.67 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.15 2dbh n ARG 13 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2dbh n ASN 14 N -2.85 1.40 0.00 0.55 2.85 -1.26 -4.98 115.26 110.97 2dbh n ASN 14 Ca 0.00 -2.14 0.00 0.00 -0.11 0.00 0.00 54.58 52.33 2dbh n ASN 14 Cb 0.00 -0.39 0.00 0.00 1.24 0.00 0.00 39.78 40.63 2dbh n ASN 14 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dbh n GLY 15 N -0.07 2.71 7.00 8.20 0.00 -1.26 -4.99 105.19 116.78 2dbh n GLY 15 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2dbh n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dbh n SER 16 N 1.02 -5.56 -0.08 1.61 7.64 -1.26 -4.49 113.62 112.51 2dbh n SER 16 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2dbh n SER 16 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2dbh n SER 16 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2dbh h PHE 17 N 0.00 0.00 -3.97 1.43 0.04 -1.87 -3.48 116.94 109.09 2dbh h PHE 17 Ca 0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 2dbh h PHE 17 Cb 0.00 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 37.91 2dbh h PHE 17 CO 0.00 0.98 -0.76 0.42 -0.60 0.00 0.00 178.31 178.35 2dbh s ILE 18 N -2.19 0.67 0.48 -0.55 1.01 -1.25 -4.92 121.20 114.46 2dbh s ILE 18 Ca -0.19 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.73 2dbh s ILE 18 Cb -0.00 -0.65 0.04 0.00 0.01 0.00 0.00 42.46 41.85 2dbh s ILE 18 CO 0.58 -0.12 0.66 0.42 0.00 0.00 0.00 174.94 176.48 2dbh s THR 19 N -0.85 2.71 -0.01 2.92 -4.23 -1.26 -4.97 115.64 109.95 2dbh s THR 19 Ca -0.03 -0.97 -0.16 0.00 -1.18 0.00 0.00 61.69 59.35 2dbh s THR 19 Cb -0.07 -2.74 -0.33 0.00 1.34 0.00 0.00 72.50 70.70 2dbh s THR 19 CO 0.00 0.00 0.89 0.11 -0.54 0.00 0.00 174.62 175.08 2dbh h LYS 20 N 0.44 0.44 -0.31 3.99 1.57 -2.00 -3.19 116.57 117.51 2dbh h LYS 20 Ca -0.37 -0.76 0.01 0.00 -1.87 0.00 0.00 60.65 57.66 2dbh h LYS 20 Cb 1.28 0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 2dbh h LYS 20 CO 0.44 1.36 0.21 1.49 -0.57 0.00 0.00 179.45 182.38 2dbh h GLU 21 N -0.01 0.37 -0.25 3.15 4.81 -1.99 -1.62 114.58 119.03 2dbh h GLU 21 Ca -0.25 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 2dbh h GLU 21 Cb 2.01 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.31 2dbh h GLU 21 CO 0.22 0.24 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.18 2dbh h LYS 22 N 0.38 0.67 -0.15 1.92 3.64 -1.98 -2.64 116.57 118.41 2dbh h LYS 22 Ca 0.12 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 2dbh h LYS 22 Cb 0.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2dbh h LYS 22 CO -0.03 1.00 -0.18 0.87 -2.27 0.00 0.00 179.45 178.84 2dbh h LYS 23 N 0.39 0.24 -0.01 1.90 1.57 -1.39 -2.42 116.57 116.85 2dbh h LYS 23 Ca 0.03 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2dbh h LYS 23 Cb 0.92 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 2dbh h LYS 23 CO 0.08 0.43 -0.61 0.22 -0.57 0.00 0.00 179.45 179.00 2dbh h ASP 24 N 0.23 0.04 0.48 0.86 1.82 -1.24 -3.01 116.42 115.60 2dbh h ASP 24 Ca 0.04 -0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.54 2dbh h ASP 24 Cb 0.46 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 2dbh h ASP 24 CO 0.03 0.64 -0.52 0.74 -1.61 0.00 0.00 179.24 178.53 2dbh h THR 25 N 0.03 1.37 -0.30 2.25 2.02 -1.06 -1.66 112.91 115.56 2dbh h THR 25 Ca -0.01 -1.78 -0.05 0.00 0.77 0.00 0.00 66.41 65.34 2dbh h THR 25 Cb 1.09 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 2dbh h THR 25 CO 0.08 0.51 -0.01 0.58 0.37 0.00 0.00 175.52 177.05 2dbh h VAL 26 N 0.04 1.26 -0.01 3.16 2.07 -1.37 -2.46 116.25 118.94 2dbh h VAL 26 Ca -0.00 -0.97 -0.16 0.00 0.82 0.00 0.00 66.70 66.38 2dbh h VAL 26 Cb 0.93 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2dbh h VAL 26 CO 0.07 0.31 -0.75 -0.07 0.02 0.00 0.00 177.57 177.15 2dbh h LEU 27 N 0.33 0.10 -1.02 2.57 3.38 -1.53 -3.06 115.31 116.07 2dbh h LEU 27 Ca 0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2dbh h LEU 27 Cb 0.46 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2dbh h LEU 27 CO 0.02 0.81 0.07 -0.09 0.09 0.00 0.00 178.44 179.34 2dbh h ARG 28 N 0.05 0.77 0.00 1.13 1.12 -1.20 0.54 114.38 116.79 2dbh h ARG 28 Ca -0.02 -0.17 -0.09 0.00 -1.11 0.00 0.00 59.98 58.59 2dbh h ARG 28 Cb 1.32 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 2dbh h ARG 28 CO 0.10 0.74 -0.42 1.96 -3.11 0.00 0.00 179.97 179.24 2dbh h GLN 29 N 0.74 0.00 0.14 0.20 4.20 -1.41 -3.09 115.11 115.89 2dbh h GLN 29 Ca 0.16 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.51 2dbh h GLN 29 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2dbh h GLN 29 CO 0.01 0.42 -1.88 0.28 -0.67 0.00 0.00 178.83 176.99 2dbh h VAL 30 N 0.00 0.76 -0.08 -0.54 2.07 -1.32 -2.99 116.25 114.15 2dbh h VAL 30 Ca -0.00 -2.44 0.02 0.00 0.82 0.00 0.00 66.70 65.10 2dbh h VAL 30 Cb 1.06 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2dbh h VAL 30 CO 0.06 0.87 0.06 0.03 0.02 0.00 0.00 177.57 178.60 2dbh h ARG 31 N 0.08 0.00 0.08 1.57 3.08 0.02 0.25 114.38 119.46 2dbh h ARG 31 Ca -0.38 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.35 2dbh h ARG 31 Cb 2.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.08 2dbh h ARG 31 CO 0.12 0.00 -1.70 -0.07 -1.07 0.00 0.00 179.97 177.25 2dbh h LEU 32 N 0.00 0.25 -6.35 3.04 3.38 -1.67 -3.43 115.31 110.53 2dbh h LEU 32 Ca 0.04 -0.45 -0.57 0.00 0.09 0.00 0.00 57.88 56.98 2dbh h LEU 32 Cb 0.15 -0.08 -0.37 0.00 0.09 0.00 0.00 40.66 40.44 2dbh h LEU 32 CO -0.00 1.40 -0.94 -0.62 0.09 0.00 0.00 178.44 178.36 2dbh s ASP 33 N -6.68 1.53 -0.10 -0.43 2.15 -0.83 -5.11 116.67 107.19 2dbh s ASP 33 Ca -0.11 -2.88 -0.30 0.00 0.43 0.00 0.00 52.55 49.69 2dbh s ASP 33 Cb 0.07 -0.34 -0.03 0.00 -0.30 0.00 0.00 42.92 42.32 2dbh s ASP 33 CO 0.82 -0.19 1.35 -2.16 -0.17 0.00 0.00 175.17 174.82 2dbh s PRO 34 N 0.25 4.25 0.00 4.34 0.04 0.02 -4.52 135.00 139.37 2dbh s PRO 34 Ca 0.31 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2dbh s PRO 34 Cb -0.00 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2dbh s PRO 34 CO -0.16 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.20 2dbh s ASP 36 N -3.85 -0.58 0.00 0.00 2.15 -1.26 -5.06 116.67 108.07 2dbh s ASP 36 Ca 0.00 0.60 0.15 0.00 0.43 0.00 0.00 52.55 53.73 2dbh s ASP 36 Cb 0.00 0.50 0.25 0.00 -0.30 0.00 0.00 42.92 43.38 2dbh s ASP 36 CO 0.00 -0.59 1.09 0.18 -0.17 0.00 0.00 175.17 175.68 2dbh n LEU 37 N 0.93 0.21 -0.09 -1.34 4.77 -1.26 -4.93 117.00 115.29 2dbh n LEU 37 Ca -0.19 -1.97 -0.15 0.00 -0.03 0.00 0.00 56.01 53.67 2dbh n LEU 37 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 2dbh n LEU 37 CO 0.23 0.88 -0.24 1.56 -1.33 0.00 0.00 177.39 178.50 2dbh h GLN 38 N 0.59 0.00 -0.23 3.23 1.08 -2.00 -3.37 115.11 114.41 2dbh h GLN 38 Ca -0.35 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 56.91 2dbh h GLN 38 Cb 1.69 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.12 2dbh h GLN 38 CO -0.05 0.71 0.24 -1.35 -0.95 0.00 0.00 178.83 177.42 2dbh h PRO 39 N -1.00 0.00 0.00 1.46 0.11 -1.97 0.11 132.00 130.71 2dbh h PRO 39 Ca -0.17 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 2dbh h PRO 39 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2dbh h PRO 39 CO -0.10 0.00 -0.19 0.82 -0.21 0.00 0.00 178.00 178.31 2dbh h ILE 40 N 0.00 0.97 0.00 4.15 1.08 -1.87 -2.66 117.51 119.18 2dbh h ILE 40 Ca 0.11 -0.71 -0.33 0.00 -0.39 0.00 0.00 64.86 63.54 2dbh h ILE 40 Cb 0.58 1.40 -0.06 0.00 -3.07 0.00 0.00 36.82 35.67 2dbh h ILE 40 CO -0.00 0.19 -2.25 0.49 -0.69 0.00 0.00 178.15 175.89 2dbh n PHE 41 N -4.06 0.00 0.28 1.37 3.01 -0.07 -3.69 117.46 114.30 2dbh n PHE 41 Ca -0.02 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.62 2dbh n PHE 41 Cb 0.27 -0.85 0.94 0.00 -0.01 0.00 0.00 39.48 39.83 2dbh n PHE 41 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2dbh h ASP 42 N 0.00 0.00 0.00 4.37 5.19 -0.89 1.00 116.42 126.09 2dbh h ASP 42 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2dbh h ASP 42 Cb 1.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.29 2dbh h ASP 42 CO -0.07 0.00 -1.20 0.47 -3.12 0.00 0.00 179.24 175.32 2dbh n ASP 43 N -3.35 0.99 -0.01 6.45 8.00 -1.01 -4.45 116.55 123.17 2dbh n ASP 43 Ca -0.01 -0.47 0.09 0.00 0.71 0.00 0.00 54.79 55.11 2dbh n ASP 43 Cb 0.27 1.34 -0.13 0.00 -0.02 0.00 0.00 41.12 42.58 2dbh n ASP 43 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2dbh n MET 44 N -1.69 0.67 0.00 -1.24 2.81 -0.10 -4.39 117.12 113.18 2dbh n MET 44 Ca 0.00 -0.13 0.20 0.00 -1.81 0.00 0.00 57.70 55.96 2dbh n MET 44 Cb 0.33 -1.42 0.69 0.00 -0.71 0.00 0.00 33.22 32.11 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 -0.51 4.03 3.38 0.73 0.16 115.31 123.10 2dbh h LEU 45 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2dbh h LEU 45 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2dbh h LEU 45 CO 0.00 0.00 -0.74 -0.74 0.09 0.00 0.00 178.44 177.05 2dbh h HIS 46 N 0.00 0.06 -0.10 1.13 2.76 -1.82 -3.12 115.15 114.06 2dbh h HIS 46 Ca 0.25 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 2dbh h HIS 46 Cb 1.01 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 2dbh h HIS 46 CO 0.00 0.77 -0.31 0.74 -1.30 0.00 0.00 177.93 177.83 2dbh h PHE 47 N 0.03 0.20 -2.55 5.26 -1.00 -0.94 -3.44 116.94 114.50 2dbh h PHE 47 Ca -0.01 -0.04 -0.44 0.00 2.81 0.00 0.00 57.97 60.29 2dbh h PHE 47 Cb 1.31 -0.05 0.05 0.00 3.61 0.00 0.00 35.95 40.87 2dbh h PHE 47 CO 0.01 0.47 -0.03 -0.51 -1.61 0.00 0.00 178.31 176.64 2dbh s LEU 48 N -8.41 3.27 0.35 1.54 1.43 -1.09 -5.12 118.68 110.66 2dbh s LEU 48 Ca -0.04 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2dbh s LEU 48 Cb 0.14 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2dbh s LEU 48 CO 0.75 -1.14 0.31 0.20 0.23 0.00 0.00 176.35 176.70 2dbh s ASN 49 N -4.42 5.23 0.26 2.29 0.01 -1.26 -4.90 114.94 112.16 2dbh s ASN 49 Ca 0.57 -0.55 -0.01 0.00 -0.71 0.00 0.00 52.86 52.16 2dbh s ASN 49 Cb -0.10 -0.88 0.54 0.00 0.41 0.00 0.00 41.25 41.22 2dbh s ASN 49 CO 0.39 -0.42 1.74 -0.65 -1.51 0.00 0.00 177.10 176.64 2dbh h PRO 50 N 1.20 0.52 -0.10 -0.60 0.11 -1.98 0.84 132.00 131.99 2dbh h PRO 50 Ca -0.44 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2dbh h PRO 50 Cb 1.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2dbh h PRO 50 CO 0.58 0.35 -0.31 1.49 -0.21 0.00 0.00 178.00 179.90 2dbh h GLU 51 N 0.54 0.20 0.11 1.05 4.57 -2.00 -2.21 114.58 116.82 2dbh h GLU 51 Ca 0.46 -0.07 -0.29 0.00 -1.18 0.00 0.00 59.36 58.28 2dbh h GLU 51 Cb 0.71 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2dbh h GLU 51 CO -0.40 0.49 -1.42 0.93 -1.18 0.00 0.00 179.01 177.43 2dbh h GLU 52 N 0.17 0.22 -0.25 1.92 5.08 -1.25 -3.32 114.58 117.16 2dbh h GLU 52 Ca 0.02 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 2dbh h GLU 52 Cb 0.63 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2dbh h GLU 52 CO 0.05 1.10 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.95 2dbh h LEU 53 N 0.06 0.41 -1.00 1.33 3.38 0.74 -2.67 115.31 117.56 2dbh h LEU 53 Ca -0.20 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2dbh h LEU 53 Cb 1.99 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 2dbh h LEU 53 CO 0.17 0.58 0.12 -0.09 0.09 0.00 0.00 178.44 179.31 2dbh h ARG 54 N 0.40 0.85 -0.06 1.13 2.43 -1.49 0.29 114.38 117.92 2dbh h ARG 54 Ca 0.07 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2dbh h ARG 54 Cb 0.48 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2dbh h ARG 54 CO 0.03 0.77 -0.07 0.28 -1.51 0.00 0.00 179.97 179.47 2dbh h VAL 55 N 0.81 1.09 0.06 0.20 2.07 -1.57 -2.35 116.25 116.57 2dbh h VAL 55 Ca 0.18 -0.40 -0.34 0.00 0.82 0.00 0.00 66.70 66.95 2dbh h VAL 55 Cb 0.31 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2dbh h VAL 55 CO 0.00 0.12 -1.97 -0.38 0.02 0.00 0.00 177.57 175.36 2dbh n ILE 56 N -4.40 1.67 0.26 4.57 5.41 -0.88 -4.09 119.36 121.90 2dbh n ILE 56 Ca -0.02 -0.71 0.12 0.00 1.00 0.00 0.00 62.75 63.14 2dbh n ILE 56 Cb 0.18 -1.39 0.75 0.00 -0.71 0.00 0.00 39.64 38.47 2dbh n ILE 56 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dbh h GLU 57 N 0.04 0.00 -0.86 0.38 5.08 -0.22 -2.00 114.58 117.00 2dbh h GLU 57 Ca -0.40 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2dbh h GLU 57 Cb 2.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.23 2dbh h GLU 57 CO 0.07 0.00 0.55 0.93 -1.00 0.00 0.00 179.01 179.55 2dbh h GLU 58 N 0.00 1.01 -6.25 2.33 5.08 -1.57 -3.40 114.58 111.77 2dbh h GLU 58 Ca 0.02 -0.06 -0.56 0.00 -1.00 0.00 0.00 59.36 57.75 2dbh h GLU 58 Cb 0.08 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2dbh h GLU 58 CO -0.00 0.67 1.03 0.42 -1.00 0.00 0.00 179.01 180.13 2dbh s ILE 59 N -6.09 3.92 0.03 3.13 1.01 -0.75 -4.92 121.20 117.53 2dbh s ILE 59 Ca -0.13 1.07 -0.19 0.00 0.00 0.00 0.00 60.65 61.40 2dbh s ILE 59 Cb 0.18 -3.82 -0.19 0.00 0.01 0.00 0.00 42.46 38.64 2dbh s ILE 59 CO 0.79 -0.24 1.21 1.55 0.00 0.00 0.00 174.94 178.25 2dbh h PRO 60 N 9.54 0.44 -7.25 2.79 0.13 -1.86 -3.45 132.00 132.34 2dbh h PRO 60 Ca -0.31 -0.36 -0.53 0.00 -0.87 0.00 0.00 66.00 63.93 2dbh h PRO 60 Cb 1.13 0.07 0.19 0.00 0.13 0.00 0.00 31.00 32.53 2dbh h PRO 60 CO 0.99 0.99 0.27 -0.65 -0.23 0.00 0.00 178.00 179.37 2dbh s GLN 61 N -3.66 1.22 -0.13 0.86 -0.21 -1.26 -4.97 119.66 111.51 2dbh s GLN 61 Ca -0.13 1.64 -0.13 0.00 0.02 0.00 0.00 55.36 56.76 2dbh s GLN 61 Cb 0.05 -1.74 -0.25 0.00 1.00 0.00 0.00 33.01 32.06 2dbh s GLN 61 CO 0.80 -2.50 0.42 0.00 -2.12 0.00 0.00 175.29 171.90 2dbh h ALA 62 N -1.52 0.29 0.21 6.09 0.00 -1.99 -3.23 119.26 119.10 2dbh h ALA 62 Ca -0.44 -1.24 -0.01 0.00 0.00 0.00 0.00 54.91 53.22 2dbh h ALA 62 Cb 1.28 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2dbh h ALA 62 CO 0.43 1.01 -0.11 1.49 0.00 0.00 0.00 179.25 182.06 2dbh h GLU 63 N -0.27 -0.29 -0.15 0.00 4.81 -1.99 -2.24 114.58 114.46 2dbh h GLU 63 Ca -0.36 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2dbh h GLU 63 Cb 1.80 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 2dbh h GLU 63 CO 0.03 -0.19 0.09 -0.44 -0.73 0.00 0.00 179.01 177.76 2dbh h ASP 64 N -0.30 0.17 -0.79 1.04 5.19 -1.98 -1.97 116.42 117.78 2dbh h ASP 64 Ca -0.02 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 2dbh h ASP 64 Cb 0.24 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 2dbh h ASP 64 CO 0.03 0.13 0.38 0.11 -3.12 0.00 0.00 179.24 176.78 2dbh h LYS 65 N 0.20 1.13 -0.72 3.56 1.57 -1.44 -2.44 116.57 118.44 2dbh h LYS 65 Ca 0.05 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2dbh h LYS 65 Cb -0.01 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 2dbh h LYS 65 CO -0.01 0.87 0.48 1.25 -0.57 0.00 0.00 179.45 181.47 2dbh h LEU 66 N 1.11 0.82 -1.49 2.94 5.85 -0.94 -0.29 115.31 123.30 2dbh h LEU 66 Ca 0.27 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 2dbh h LEU 66 Cb 0.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2dbh h LEU 66 CO -0.04 0.59 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.79 2dbh h ASP 67 N 0.96 0.21 0.64 1.25 3.58 -1.40 -2.35 116.42 119.31 2dbh h ASP 67 Ca 0.27 -0.04 -0.27 0.00 0.42 0.00 0.00 57.03 57.41 2dbh h ASP 67 Cb -0.08 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2dbh h ASP 67 CO -0.06 0.33 -1.33 -0.09 -2.88 0.00 0.00 179.24 175.21 2dbh h ARG 68 N 0.22 0.18 -0.14 0.28 9.65 -1.12 -2.91 114.38 120.55 2dbh h ARG 68 Ca 0.05 -0.31 -0.04 0.00 -1.10 0.00 0.00 59.98 58.58 2dbh h ARG 68 Cb 0.29 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2dbh h ARG 68 CO 0.01 1.08 -0.11 1.25 2.80 0.00 0.00 179.97 185.00 2dbh h LEU 69 N 0.05 0.20 0.00 3.80 5.85 -0.70 -2.36 115.31 122.15 2dbh h LEU 69 Ca -0.16 -0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.33 2dbh h LEU 69 Cb 1.95 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.89 2dbh h LEU 69 CO 0.16 0.33 -1.17 -0.26 -0.34 0.00 0.00 178.44 177.17 2dbh h PHE 70 N 0.20 0.00 -0.60 1.25 -1.00 -1.51 -2.87 116.94 112.42 2dbh h PHE 70 Ca 0.04 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 2dbh h PHE 70 Cb 0.32 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 2dbh h PHE 70 CO 0.00 0.82 0.04 1.49 -1.61 0.00 0.00 178.31 179.05 2dbh h GLU 71 N 0.00 1.03 0.05 1.51 4.22 -1.22 0.84 114.58 121.01 2dbh h GLU 71 Ca -0.11 -0.31 -0.00 0.00 0.08 0.00 0.00 59.36 59.02 2dbh h GLU 71 Cb 1.72 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2dbh h GLU 71 CO 0.09 1.00 -0.03 0.82 -2.18 0.00 0.00 179.01 178.71 2dbh h ILE 72 N 0.93 0.64 -0.07 2.32 2.04 -1.56 -3.28 117.51 118.54 2dbh h ILE 72 Ca 0.17 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 2dbh h ILE 72 Cb 0.51 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2dbh h ILE 72 CO 0.02 0.21 -0.27 0.40 0.00 0.00 0.00 178.15 178.51 2dbh h ILE 73 N -0.99 1.23 0.00 -0.67 2.04 -1.59 -2.38 117.51 115.14 2dbh h ILE 73 Ca -0.01 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 2dbh h ILE 73 Cb 0.39 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2dbh h ILE 73 CO 0.01 0.32 -0.00 1.23 0.00 0.00 0.00 178.15 179.71 2dbh h GLY 74 N 0.93 0.00 -1.26 5.37 0.00 0.59 -2.29 103.07 106.42 2dbh h GLY 74 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 2dbh h GLY 74 CO 0.04 0.00 -0.52 3.33 0.00 0.00 0.00 176.54 179.39 2dbh n VAL 75 N -3.11 2.24 -0.01 4.60 0.24 -0.91 -3.75 118.33 117.65 2dbh n VAL 75 Ca -0.02 -3.32 -0.01 0.00 -2.04 0.00 0.00 64.34 58.95 2dbh n VAL 75 Cb 0.15 -0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.20 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 -1.09 0.05 -3.62 7.34 4.81 -0.86 -4.95 118.16 119.84 2dbh n LYS 76 Ca 0.21 0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.65 2dbh n LYS 76 Cb 0.72 -0.42 -0.01 0.00 0.02 0.00 0.00 35.03 35.34 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 -4.57 -0.12 0.42 3.14 1.04 -1.25 -4.98 113.70 107.37 2dbh s SER 77 Ca -0.02 -0.11 0.17 0.00 0.48 0.00 0.00 55.95 56.46 2dbh s SER 77 Cb 0.00 0.21 0.92 0.00 0.10 0.00 0.00 66.02 67.25 2dbh s SER 77 CO 0.04 -0.37 1.89 -0.61 0.98 0.00 0.00 173.24 175.17 2dbh h GLN 78 N 2.00 0.00 -0.95 4.02 4.15 -1.96 0.32 115.11 122.69 2dbh h GLN 78 Ca -0.22 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.22 2dbh h GLN 78 Cb 1.20 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 2dbh h GLN 78 CO 0.26 0.29 0.63 0.93 -1.93 0.00 0.00 178.83 179.01 2dbh h GLU 79 N 0.00 1.22 0.04 1.69 5.08 -1.98 -0.04 114.58 120.60 2dbh h GLU 79 Ca -0.00 -0.07 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 2dbh h GLU 79 Cb 0.57 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2dbh h GLU 79 CO 0.04 0.81 -2.17 0.00 -1.00 0.00 0.00 179.01 176.69 2dbh n ALA 80 N -2.36 1.28 -0.35 3.43 0.00 -1.08 -3.73 120.51 117.69 2dbh n ALA 80 Ca 0.11 -0.92 -0.02 0.00 0.00 0.00 0.00 53.44 52.62 2dbh n ALA 80 Cb 0.03 -0.44 0.13 0.00 0.00 0.00 0.00 19.45 19.17 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 0.02 1.12 -0.13 0.00 0.87 -0.34 -0.48 113.55 114.61 2dbh h SER 81 Ca -0.47 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.00 2dbh h SER 81 Cb 2.03 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2dbh h SER 81 CO 0.02 0.82 -0.13 -0.61 -0.53 0.00 0.00 176.83 176.40 2dbh h GLN 82 N 1.32 0.32 -0.14 2.24 5.75 -1.18 -3.07 115.11 120.34 2dbh h GLN 82 Ca 0.35 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2dbh h GLN 82 Cb -0.14 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2dbh h GLN 82 CO -0.08 0.71 0.04 1.15 -2.65 0.00 0.00 178.83 178.00 2dbh h THR 83 N -0.07 1.07 -0.20 2.39 2.02 -1.58 -2.36 112.91 114.19 2dbh h THR 83 Ca 0.02 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2dbh h THR 83 Cb 0.65 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2dbh h THR 83 CO 0.03 0.09 0.13 0.25 0.37 0.00 0.00 175.52 176.39 2dbh h LEU 84 N 0.19 0.23 -0.57 2.58 5.85 -0.99 0.26 115.31 122.85 2dbh h LEU 84 Ca 0.05 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2dbh h LEU 84 Cb 0.08 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2dbh h LEU 84 CO -0.00 0.17 0.03 -0.07 -0.34 0.00 0.00 178.44 178.22 2dbh h LEU 85 N 0.27 0.97 -0.40 2.25 3.38 -1.42 -2.17 115.31 118.18 2dbh h LEU 85 Ca 0.07 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2dbh h LEU 85 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2dbh h LEU 85 CO -0.02 1.02 0.03 0.44 0.09 0.00 0.00 178.44 180.00 2dbh h ASP 86 N 0.88 0.67 -0.74 -0.43 3.32 -1.18 -2.78 116.42 116.17 2dbh h ASP 86 Ca 0.17 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2dbh h ASP 86 Cb 0.51 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2dbh h ASP 86 CO 0.02 0.80 0.42 -1.28 -1.72 0.00 0.00 179.24 177.48 2dbh h SER 87 N 0.53 0.92 0.79 6.45 0.87 -0.40 0.90 113.55 123.61 2dbh h SER 87 Ca 0.12 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2dbh h SER 87 Cb 0.43 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2dbh h SER 87 CO 0.02 0.74 0.00 0.52 -0.53 0.00 0.00 176.83 177.57 2dbh n VAL 88 N -4.36 0.80 -0.06 2.23 0.31 -0.82 -2.23 118.33 114.20 2dbh n VAL 88 Ca 0.08 0.20 -0.06 0.00 -0.01 0.00 0.00 64.34 64.54 2dbh n VAL 88 Cb 0.09 -1.14 -0.10 0.00 -0.91 0.00 0.00 33.84 31.79 2dbh n VAL 88 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2dbh n TYR 89 N -2.28 0.00 0.06 3.52 4.01 -0.43 -3.90 117.16 118.13 2dbh n TYR 89 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.64 2dbh n TYR 89 Cb 0.24 -0.60 -0.09 0.00 -0.31 0.00 0.00 39.34 38.59 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 0.36 7.72 0.87 0.84 -3.27 113.55 119.91 2dbh h SER 90 Ca -0.33 -0.35 -0.15 0.00 -1.23 0.00 0.00 61.79 59.73 2dbh h SER 90 Cb 1.75 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 2dbh h SER 90 CO 0.02 0.30 -0.63 0.45 -0.53 0.00 0.00 176.83 176.44 2dbh h HIS 91 N -0.66 0.34 -3.62 2.24 3.86 -1.67 -3.37 115.15 112.27 2dbh h HIS 91 Ca -0.02 -0.14 -0.74 0.00 -1.16 0.00 0.00 60.37 58.31 2dbh h HIS 91 Cb 0.50 -0.06 -0.31 0.00 1.06 0.00 0.00 27.41 28.60 2dbh h HIS 91 CO 0.07 0.82 -0.06 -0.51 0.86 0.00 0.00 177.93 179.11 2dbh s LEU 92 N -7.90 5.97 0.41 2.43 1.43 -1.23 -4.89 118.68 114.89 2dbh s LEU 92 Ca -0.04 -3.03 0.20 0.00 -1.03 0.00 0.00 54.13 50.23 2dbh s LEU 92 Cb 0.12 -2.03 0.84 0.00 0.03 0.00 0.00 46.19 45.14 2dbh s LEU 92 CO 0.81 -0.40 1.81 1.55 0.23 0.00 0.00 176.35 180.34 2dbh h PRO 93 N 7.08 0.00 -0.48 1.29 0.13 -1.74 -3.03 132.00 135.25 2dbh h PRO 93 Ca 0.08 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.24 2dbh h PRO 93 Cb 0.95 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 2dbh h PRO 93 CO 0.78 0.32 0.32 0.22 -0.23 0.00 0.00 178.00 179.41 2dbh h ASP 94 N 0.00 0.49 -0.18 1.44 1.82 -1.90 0.84 116.42 118.94 2dbh h ASP 94 Ca -0.00 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.59 2dbh h ASP 94 Cb 0.76 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 2dbh h ASP 94 CO 0.04 0.34 0.01 -0.07 -1.61 0.00 0.00 179.24 177.95 2dbh h LEU 95 N 0.57 0.39 0.00 2.28 3.38 -1.88 -3.34 115.31 116.71 2dbh h LEU 95 Ca 0.19 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dbh h LEU 95 Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2dbh h LEU 95 CO -0.05 0.45 -0.61 0.18 0.09 0.00 0.00 178.44 178.50 2dbh n LEU 96 N -4.32 1.44 0.00 1.67 4.77 -0.47 -5.04 117.00 115.05 2dbh n LEU 96 Ca 0.01 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.17 2dbh n LEU 96 Cb 0.21 -0.72 0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2dbh n LEU 96 CO 0.38 -0.39 0.27 -1.20 -1.33 0.00 0.00 177.39 175.12 2dbh n SER 97 N -4.02 2.09 0.00 -1.43 7.64 0.28 -5.04 113.62 113.14 2dbh n SER 97 Ca -0.09 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.31 2dbh n SER 97 Cb 0.32 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.33 0.32 2.76 0.23 0.00 -1.26 -3.82 105.19 102.08 2dbh n GLY 98 Ca 0.11 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 2dbh n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbh n PRO 99 N 0.00 1.85 -2.02 1.61 -0.04 -1.26 -4.92 135.00 130.22 2dbh n PRO 99 Ca 0.00 -1.53 -0.38 0.00 -0.04 0.00 0.00 63.50 61.56 2dbh n PRO 99 Cb 0.00 -2.56 0.02 0.00 -0.04 0.00 0.00 33.50 30.92 2dbh n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dbh s SER 100 N 3.90 5.71 -0.39 3.54 1.04 -1.26 -4.95 113.70 121.29 2dbh s SER 100 Ca 0.43 2.54 -0.29 0.00 0.48 0.00 0.00 55.95 59.10 2dbh s SER 100 Cb 0.11 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.63 2dbh s SER 100 CO 0.01 -1.25 1.13 -0.94 0.98 0.00 0.00 173.24 173.17 2dbh s SER 101 N -1.16 6.76 0.00 7.02 1.04 -1.26 -5.33 113.70 120.78 2dbh s SER 101 Ca 0.68 0.79 0.30 0.00 0.48 0.00 0.00 55.95 58.20 2dbh s SER 101 Cb -0.35 -2.55 1.51 0.00 0.10 0.00 0.00 66.02 64.74 2dbh s SER 101 CO 0.41 -1.08 2.00 0.61 0.98 0.00 0.00 173.24 176.17