#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 1.89 -0.12 1.61 3.41 -1.26 -4.74 113.62 114.41 2dbh n SER 2 Ca 0.00 0.40 -0.22 0.00 -0.26 0.00 0.00 58.87 58.79 2dbh n SER 2 Cb 0.00 -0.94 -0.09 0.00 -0.26 0.00 0.00 64.21 62.92 2dbh n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dbh n SER 3 N -4.36 1.87 -1.52 4.04 7.64 -1.26 -5.11 113.62 114.92 2dbh n SER 3 Ca -0.35 0.15 -0.00 0.00 1.01 0.00 0.00 58.87 59.67 2dbh n SER 3 Cb 0.73 -0.58 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.84 -3.79 0.11 0.23 0.00 -1.26 -4.93 105.19 97.39 2dbh n GLY 4 Ca -0.44 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 2dbh n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dbh h SER 5 N 1.39 0.14 -3.28 1.61 0.87 -2.01 -3.45 113.55 108.81 2dbh h SER 5 Ca -0.04 -0.11 -0.48 0.00 -1.23 0.00 0.00 61.79 59.93 2dbh h SER 5 Cb 0.08 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2dbh h SER 5 CO 0.00 0.92 0.02 -0.55 -0.53 0.00 0.00 176.83 176.69 2dbh s SER 6 N -6.86 6.07 0.00 6.23 0.15 -1.26 -5.00 113.70 113.03 2dbh s SER 6 Ca -0.02 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2dbh s SER 6 Cb 0.11 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2dbh s SER 6 CO 0.81 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2dbh n GLY 7 N -2.19 -0.73 2.77 9.45 0.00 -1.26 -5.13 105.19 108.11 2dbh n GLY 7 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 46.02 46.46 2dbh n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbh s SER 8 N -4.00 2.02 0.00 1.61 0.01 -1.26 -4.93 113.70 107.15 2dbh s SER 8 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2dbh s SER 8 Cb 0.00 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2dbh s SER 8 CO 0.00 -0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.23 2dbh n SER 9 N 5.10 0.00 -4.73 2.44 7.64 -1.26 -4.91 113.62 117.90 2dbh n SER 9 Ca -0.08 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.39 2dbh n SER 9 Cb 0.49 0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.43 3.26 0.00 -0.43 0.00 -1.26 -2.69 121.76 119.21 2dbh s ALA 10 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2dbh s ALA 10 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2dbh s ALA 10 CO 0.00 -0.03 0.00 1.28 0.00 0.00 0.00 175.76 177.01 2dbh n LEU 11 N 2.68 0.00 0.00 0.00 4.32 -1.26 -4.87 117.00 117.86 2dbh n LEU 11 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2dbh n LEU 11 Cb 0.49 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 2dbh n LEU 11 CO 0.51 -0.48 -0.16 -1.20 -1.22 0.00 0.00 177.39 174.85 2dbh n SER 12 N -2.46 0.40 0.00 -1.43 7.64 -1.26 -5.00 113.62 111.52 2dbh n SER 12 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dbh n SER 12 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dbh n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dbh n ARG 13 N -2.38 0.00 -1.58 1.43 0.63 -1.26 -4.98 116.66 108.51 2dbh n ARG 13 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2dbh n ARG 13 Cb 0.16 -0.11 -0.00 0.00 0.45 0.00 0.00 32.46 32.96 2dbh n ARG 13 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dbh n ASN 14 N -2.25 -0.95 0.00 6.15 4.13 -1.26 -5.02 115.26 116.05 2dbh n ASN 14 Ca 0.00 -2.07 0.00 0.00 1.68 0.00 0.00 54.58 54.19 2dbh n ASN 14 Cb 0.00 0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 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 -0.45 3.02 2.72 7.41 0.00 -1.09 -4.90 105.19 111.88 2dbh n GLY 15 Ca -0.22 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 -2.16 -0.21 1.61 2.88 -1.26 -4.79 113.62 109.69 2dbh n SER 16 Ca 0.00 -3.24 -0.09 0.00 -1.33 0.00 0.00 58.87 54.21 2dbh n SER 16 Cb 0.00 1.74 0.02 0.00 -0.75 0.00 0.00 64.21 65.22 2dbh n SER 16 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2dbh h PHE 17 N 2.96 1.04 -3.39 0.66 0.04 -1.95 -3.43 116.94 112.88 2dbh h PHE 17 Ca -0.15 -0.15 -0.31 0.00 2.80 0.00 0.00 57.97 60.16 2dbh h PHE 17 Cb 1.12 -0.28 -0.35 0.00 2.20 0.00 0.00 35.95 38.63 2dbh h PHE 17 CO 0.18 0.91 -0.70 0.42 -0.60 0.00 0.00 178.31 178.51 2dbh s ILE 18 N -5.18 -0.09 0.37 -0.55 1.01 -1.23 -4.94 121.20 110.59 2dbh s ILE 18 Ca -0.12 0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 2dbh s ILE 18 Cb 0.13 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.41 2dbh s ILE 18 CO 0.83 0.12 0.66 0.42 0.00 0.00 0.00 174.94 176.97 2dbh s THR 19 N 1.48 4.95 0.43 2.92 -4.23 -1.26 -4.91 115.64 115.01 2dbh s THR 19 Ca -0.04 0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.73 2dbh s THR 19 Cb -0.12 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.19 2dbh s THR 19 CO -0.04 -0.53 2.07 0.50 -0.54 0.00 0.00 174.62 176.08 2dbh h LYS 20 N 1.11 0.38 -0.75 3.99 3.64 -2.00 -2.14 116.57 120.80 2dbh h LYS 20 Ca -0.48 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2dbh h LYS 20 Cb 1.20 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 2dbh h LYS 20 CO 0.64 0.28 0.47 1.49 -2.27 0.00 0.00 179.45 180.05 2dbh h GLU 21 N 0.39 1.00 -0.46 1.90 4.57 -2.00 -2.26 114.58 117.71 2dbh h GLU 21 Ca 0.10 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2dbh h GLU 21 Cb -0.00 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 2dbh h GLU 21 CO -0.02 0.70 0.03 -0.22 -1.18 0.00 0.00 179.01 178.32 2dbh h LYS 22 N 1.02 0.74 -0.51 1.92 3.64 -1.79 -2.10 116.57 119.50 2dbh h LYS 22 Ca 0.27 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2dbh h LYS 22 Cb -0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2dbh h LYS 22 CO -0.05 0.74 0.16 0.87 -2.27 0.00 0.00 179.45 178.89 2dbh h LYS 23 N 0.70 0.75 -0.12 1.90 1.57 -1.22 -2.57 116.57 117.58 2dbh h LYS 23 Ca 0.14 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 2dbh h LYS 23 Cb 0.39 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2dbh h LYS 23 CO 0.01 0.66 -0.74 0.22 -0.57 0.00 0.00 179.45 179.03 2dbh h ASP 24 N 0.74 0.69 -0.14 0.86 3.58 -1.05 -3.04 116.42 118.05 2dbh h ASP 24 Ca 0.17 -0.45 -0.00 0.00 0.42 0.00 0.00 57.03 57.17 2dbh h ASP 24 Cb 0.22 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2dbh h ASP 24 CO -0.01 1.21 0.09 0.74 -2.88 0.00 0.00 179.24 178.39 2dbh h THR 25 N 0.40 1.04 -0.09 2.25 2.02 -1.01 0.18 112.91 117.71 2dbh h THR 25 Ca -0.04 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 2dbh h THR 25 Cb 1.34 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2dbh h THR 25 CO 0.14 0.04 -0.48 0.58 0.37 0.00 0.00 175.52 176.17 2dbh h VAL 26 N 0.20 1.38 -0.01 3.16 2.07 -1.42 -3.21 116.25 118.43 2dbh h VAL 26 Ca 0.05 -1.83 -0.13 0.00 0.82 0.00 0.00 66.70 65.62 2dbh h VAL 26 Cb -0.01 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2dbh h VAL 26 CO -0.01 0.54 -0.59 -0.07 0.02 0.00 0.00 177.57 177.46 2dbh h LEU 27 N 0.06 0.04 -1.34 2.57 3.38 -1.33 -3.05 115.31 115.65 2dbh h LEU 27 Ca -0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2dbh h LEU 27 Cb 1.13 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2dbh h LEU 27 CO 0.10 0.62 0.46 -0.09 0.09 0.00 0.00 178.44 179.62 2dbh h ARG 28 N 0.03 0.85 -0.01 1.13 2.43 -0.67 0.82 114.38 118.95 2dbh h ARG 28 Ca -0.01 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 2dbh h ARG 28 Cb 1.05 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2dbh h ARG 28 CO 0.08 0.56 -0.71 1.96 -1.51 0.00 0.00 179.97 180.35 2dbh h GLN 29 N 0.88 0.09 0.09 0.20 4.20 -1.53 -3.01 115.11 116.02 2dbh h GLN 29 Ca 0.27 -0.07 -0.29 0.00 0.06 0.00 0.00 58.65 58.62 2dbh h GLN 29 Cb 0.01 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2dbh h GLN 29 CO -0.07 0.76 -1.44 0.28 -0.67 0.00 0.00 178.83 177.69 2dbh h VAL 30 N 0.06 1.25 -0.57 -0.54 2.07 -1.25 -2.85 116.25 114.42 2dbh h VAL 30 Ca -0.01 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.60 2dbh h VAL 30 Cb 1.25 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.76 2dbh h VAL 30 CO 0.10 0.82 0.36 0.03 0.02 0.00 0.00 177.57 178.90 2dbh h ARG 31 N 0.05 0.76 0.00 1.57 3.08 0.60 -0.04 114.38 120.40 2dbh h ARG 31 Ca -0.20 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.61 2dbh h ARG 31 Cb 1.98 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.84 2dbh h ARG 31 CO 0.16 0.53 -0.85 -0.07 -1.07 0.00 0.00 179.97 178.66 2dbh h LEU 32 N 0.76 0.11 -6.49 3.04 3.38 -1.65 -3.41 115.31 111.06 2dbh h LEU 32 Ca 0.21 -0.09 -0.49 0.00 0.09 0.00 0.00 57.88 57.59 2dbh h LEU 32 Cb -0.05 -0.03 -0.36 0.00 0.09 0.00 0.00 40.66 40.31 2dbh h LEU 32 CO -0.04 0.91 -0.78 -1.81 0.09 0.00 0.00 178.44 176.80 2dbh s ASP 33 N -6.84 2.22 0.13 -0.43 1.01 -0.99 -5.13 116.67 106.64 2dbh s ASP 33 Ca -0.01 -1.93 -0.35 0.00 0.71 0.00 0.00 52.55 50.97 2dbh s ASP 33 Cb 0.11 0.00 -0.15 0.00 1.01 0.00 0.00 42.92 43.89 2dbh s ASP 33 CO 0.81 -0.29 1.43 -2.65 0.21 0.00 0.00 175.17 174.68 2dbh n PRO 34 N 4.13 1.62 -4.38 8.23 -0.02 -0.06 -4.29 135.00 140.23 2dbh n PRO 34 Ca 0.12 0.58 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 2dbh n PRO 34 Cb 0.40 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 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 -3.39 6.84 -0.43 0.00 -4.77 -1.26 -4.90 116.67 108.75 2dbh s ASP 36 Ca 0.35 0.87 0.05 0.00 -3.30 0.00 0.00 52.55 50.52 2dbh s ASP 36 Cb 0.08 -2.53 0.66 0.00 -1.09 0.00 0.00 42.92 40.04 2dbh s ASP 36 CO 0.13 -0.93 1.88 0.18 0.70 0.00 0.00 175.17 177.14 2dbh n LEU 37 N 6.99 6.53 0.18 2.11 4.77 -1.26 -4.62 117.00 131.71 2dbh n LEU 37 Ca 0.11 -3.61 -0.08 0.00 -0.03 0.00 0.00 56.01 52.40 2dbh n LEU 37 Cb 0.48 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2dbh n LEU 37 CO 0.61 1.06 0.25 -0.61 -1.33 0.00 0.00 177.39 177.37 2dbh h GLN 38 N 1.07 -0.50 -0.04 3.23 -0.00 -2.00 -3.06 115.11 113.81 2dbh h GLN 38 Ca 0.59 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 59.29 2dbh h GLN 38 Cb 2.77 0.11 -0.00 0.00 0.00 0.00 0.00 27.48 30.36 2dbh h GLN 38 CO 1.04 -0.33 0.05 -1.00 0.00 0.00 0.00 178.83 178.59 2dbh h PRO 39 N -0.92 0.00 0.00 -2.39 0.13 -1.98 0.14 132.00 126.98 2dbh h PRO 39 Ca -0.05 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.00 2dbh h PRO 39 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2dbh h PRO 39 CO 0.09 0.00 -0.38 0.82 -0.23 0.00 0.00 178.00 178.29 2dbh h ILE 40 N 0.00 0.93 0.01 -3.56 2.04 -1.85 -2.99 117.51 112.09 2dbh h ILE 40 Ca 0.02 -1.52 -0.42 0.00 1.00 0.00 0.00 64.86 63.94 2dbh h ILE 40 Cb 0.11 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 2dbh h ILE 40 CO -0.00 0.38 -2.44 0.49 0.00 0.00 0.00 178.15 176.58 2dbh n PHE 41 N -3.58 0.11 0.25 1.37 3.72 -0.27 -3.74 117.46 115.31 2dbh n PHE 41 Ca -0.00 0.03 0.18 0.00 -0.05 0.00 0.00 57.45 57.61 2dbh n PHE 41 Cb 0.50 -1.01 0.87 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.49 0.00 0.28 4.37 1.82 -0.89 1.09 116.42 122.59 2dbh h ASP 42 Ca -0.62 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 2dbh h ASP 42 Cb 1.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.76 2dbh h ASP 42 CO -0.24 0.00 -1.59 -0.67 -1.61 0.00 0.00 179.24 175.13 2dbh n ASP 43 N -3.37 0.34 -0.01 2.28 2.03 -1.13 -4.30 116.55 112.39 2dbh n ASP 43 Ca 0.01 -0.02 0.10 0.00 0.52 0.00 0.00 54.79 55.39 2dbh n ASP 43 Cb 0.36 1.43 -0.16 0.00 -0.72 0.00 0.00 41.12 42.03 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 -2.26 0.61 0.02 -0.67 2.81 0.42 -4.36 117.12 113.69 2dbh n MET 44 Ca -0.02 -0.18 0.18 0.00 -1.81 0.00 0.00 57.70 55.87 2dbh n MET 44 Cb 0.53 -1.48 0.67 0.00 -0.71 0.00 0.00 33.22 32.23 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 0.03 -0.54 4.03 3.38 0.89 0.10 115.31 123.20 2dbh h LEU 45 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2dbh h LEU 45 Cb 0.93 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2dbh h LEU 45 CO 0.00 0.02 -0.73 -0.74 0.09 0.00 0.00 178.44 177.08 2dbh h HIS 46 N 0.03 0.00 -0.51 1.13 2.76 -1.81 -3.17 115.15 113.58 2dbh h HIS 46 Ca 0.22 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 2dbh h HIS 46 Cb 0.85 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 2dbh h HIS 46 CO -0.00 0.73 0.03 0.74 -1.30 0.00 0.00 177.93 178.13 2dbh h PHE 47 N 0.00 0.89 -3.83 5.26 -1.00 -1.03 -3.43 116.94 113.79 2dbh h PHE 47 Ca -0.01 -0.12 -0.50 0.00 2.81 0.00 0.00 57.97 60.16 2dbh h PHE 47 Cb 1.29 -0.25 0.04 0.00 3.61 0.00 0.00 35.95 40.65 2dbh h PHE 47 CO 0.00 0.80 0.21 -0.51 -1.61 0.00 0.00 178.31 177.20 2dbh s LEU 48 N -9.23 3.49 0.53 1.54 1.43 -1.12 -5.09 118.68 110.22 2dbh s LEU 48 Ca -0.10 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 2dbh s LEU 48 Cb 0.15 -4.06 0.03 0.00 0.03 0.00 0.00 46.19 42.34 2dbh s LEU 48 CO 0.81 -0.69 0.74 0.20 0.23 0.00 0.00 176.35 177.64 2dbh s ASN 49 N -4.14 5.32 0.20 2.29 0.01 -1.26 -4.85 114.94 112.51 2dbh s ASN 49 Ca 0.50 -0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 52.40 2dbh s ASN 49 Cb -0.11 -0.76 0.26 0.00 0.41 0.00 0.00 41.25 41.06 2dbh s ASN 49 CO 0.48 -1.09 1.71 -0.65 -1.51 0.00 0.00 177.10 176.04 2dbh h PRO 50 N 0.18 0.25 -0.55 -0.60 0.11 -1.98 0.46 132.00 129.86 2dbh h PRO 50 Ca -0.41 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 2dbh h PRO 50 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2dbh h PRO 50 CO 0.50 0.16 -0.07 1.49 -0.21 0.00 0.00 178.00 179.87 2dbh h GLU 51 N 0.26 1.01 -0.18 1.05 4.81 -1.99 -0.59 114.58 118.94 2dbh h GLU 51 Ca 0.29 -0.35 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 2dbh h GLU 51 Cb 0.42 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2dbh h GLU 51 CO -0.38 1.03 -0.42 0.93 -0.73 0.00 0.00 179.01 179.44 2dbh h GLU 52 N 0.91 0.42 0.00 1.92 5.08 -1.68 -2.96 114.58 118.27 2dbh h GLU 52 Ca 0.15 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2dbh h GLU 52 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2dbh h GLU 52 CO 0.04 0.77 -0.75 -0.07 -1.00 0.00 0.00 179.01 177.99 2dbh h LEU 53 N 0.34 0.00 -1.89 1.33 3.38 0.08 -3.16 115.31 115.40 2dbh h LEU 53 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2dbh h LEU 53 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2dbh h LEU 53 CO 0.07 0.75 0.16 -0.09 0.09 0.00 0.00 178.44 179.43 2dbh h ARG 54 N 0.00 0.14 0.01 1.13 2.43 -0.93 0.17 114.38 117.33 2dbh h ARG 54 Ca -0.01 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 2dbh h ARG 54 Cb 1.38 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 2dbh h ARG 54 CO 0.10 0.09 -0.93 0.28 -1.51 0.00 0.00 179.97 178.00 2dbh h VAL 55 N 0.14 1.47 0.03 0.20 2.07 -1.59 -3.04 116.25 115.54 2dbh h VAL 55 Ca 0.10 -2.62 -0.22 0.00 0.82 0.00 0.00 66.70 64.78 2dbh h VAL 55 Cb 0.22 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 2dbh h VAL 55 CO -0.01 0.77 -1.02 0.40 0.02 0.00 0.00 177.57 177.72 2dbh h ILE 56 N 0.14 1.61 -0.14 4.57 2.04 -1.31 -3.25 117.51 121.17 2dbh h ILE 56 Ca -0.06 -3.13 -0.09 0.00 1.00 0.00 0.00 64.86 62.57 2dbh h ILE 56 Cb 1.57 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 40.41 2dbh h ILE 56 CO 0.15 0.90 -0.32 -0.33 0.00 0.00 0.00 178.15 178.55 2dbh h GLU 57 N 0.04 0.28 -0.93 2.37 5.08 -0.75 -2.91 114.58 117.76 2dbh h GLU 57 Ca -0.05 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2dbh h GLU 57 Cb 1.74 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.93 2dbh h GLU 57 CO 0.15 0.58 0.55 0.93 -1.00 0.00 0.00 179.01 180.22 2dbh h GLU 58 N 0.25 1.27 -6.37 2.33 5.08 -1.56 -3.40 114.58 112.18 2dbh h GLU 58 Ca 0.03 -0.12 -0.57 0.00 -1.00 0.00 0.00 59.36 57.70 2dbh h GLU 58 Cb 0.70 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2dbh h GLU 58 CO 0.05 0.90 1.13 0.42 -1.00 0.00 0.00 179.01 180.52 2dbh s ILE 59 N -5.92 3.75 0.09 3.13 1.01 -1.10 -4.89 121.20 117.27 2dbh s ILE 59 Ca -0.13 0.80 -0.13 0.00 0.00 0.00 0.00 60.65 61.20 2dbh s ILE 59 Cb 0.17 -3.90 -0.19 0.00 0.01 0.00 0.00 42.46 38.56 2dbh s ILE 59 CO 0.83 -0.49 1.26 1.55 0.00 0.00 0.00 174.94 178.08 2dbh h PRO 60 N 11.14 0.74 -7.18 2.79 0.13 -1.85 -3.46 132.00 134.31 2dbh h PRO 60 Ca -0.31 -0.69 -0.53 0.00 -0.87 0.00 0.00 66.00 63.60 2dbh h PRO 60 Cb 1.14 0.17 0.19 0.00 0.13 0.00 0.00 31.00 32.63 2dbh h PRO 60 CO 1.04 1.28 0.18 1.04 -0.23 0.00 0.00 178.00 181.31 2dbh n GLN 61 N -3.89 -0.15 -0.09 0.86 1.13 -1.26 -4.98 117.38 108.99 2dbh n GLN 61 Ca -0.09 0.03 -0.23 0.00 -1.94 0.00 0.00 57.00 54.77 2dbh n GLN 61 Cb 0.81 -2.34 -0.12 0.00 0.11 0.00 0.00 30.24 28.70 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dbh n ALA 62 N -3.74 1.11 -0.11 -1.58 0.00 -1.26 -3.44 120.51 111.50 2dbh n ALA 62 Ca 0.12 -0.85 0.03 0.00 0.00 0.00 0.00 53.44 52.74 2dbh n ALA 62 Cb 0.51 -0.29 0.35 0.00 0.00 0.00 0.00 19.45 20.02 2dbh n ALA 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dbh h GLU 63 N -0.41 0.74 0.01 0.00 4.57 -2.00 -1.77 114.58 115.72 2dbh h GLU 63 Ca -0.53 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 57.41 2dbh h GLU 63 Cb 1.76 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 30.15 2dbh h GLU 63 CO -0.15 0.49 -0.94 -0.44 -1.18 0.00 0.00 179.01 176.79 2dbh h ASP 64 N 0.76 0.04 -0.10 1.04 3.32 -1.98 -3.28 116.42 116.23 2dbh h ASP 64 Ca 0.22 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2dbh h ASP 64 Cb -0.05 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2dbh h ASP 64 CO -0.05 0.96 0.03 0.11 -1.72 0.00 0.00 179.24 178.57 2dbh h LYS 65 N 0.01 0.08 -0.01 3.56 1.57 -1.35 -2.03 116.57 118.40 2dbh h LYS 65 Ca -0.02 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2dbh h LYS 65 Cb 1.65 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.94 2dbh h LYS 65 CO 0.13 0.05 0.01 1.25 -0.57 0.00 0.00 179.45 180.31 2dbh h LEU 66 N 0.08 0.01 -1.87 2.94 5.85 -1.57 -1.05 115.31 119.69 2dbh h LEU 66 Ca 0.04 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2dbh h LEU 66 Cb 0.02 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2dbh h LEU 66 CO -0.04 0.01 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.21 2dbh h ASP 67 N 0.01 0.00 0.60 1.25 1.82 -1.42 -2.29 116.42 116.39 2dbh h ASP 67 Ca 0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.37 2dbh h ASP 67 Cb -0.00 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 2dbh h ASP 67 CO -0.00 0.08 -1.50 -0.09 -1.61 0.00 0.00 179.24 176.11 2dbh h ARG 68 N 0.00 0.05 -0.22 0.28 2.43 -1.13 -3.17 114.38 112.62 2dbh h ARG 68 Ca -0.00 -0.09 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2dbh h ARG 68 Cb 0.14 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2dbh h ARG 68 CO 0.01 0.76 0.16 1.25 -1.51 0.00 0.00 179.97 180.65 2dbh h LEU 69 N 0.01 0.00 0.00 3.80 5.85 -1.01 -0.89 115.31 123.08 2dbh h LEU 69 Ca -0.21 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.37 2dbh h LEU 69 Cb 1.95 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 2dbh h LEU 69 CO 0.11 0.00 -1.43 0.49 -0.34 0.00 0.00 178.44 177.26 2dbh n PHE 70 N -4.45 0.86 0.31 1.25 3.01 -1.15 -3.24 117.46 114.06 2dbh n PHE 70 Ca 0.02 0.28 -0.15 0.00 1.01 0.00 0.00 57.45 58.61 2dbh n PHE 70 Cb 0.31 -1.02 -0.08 0.00 -0.01 0.00 0.00 39.48 38.68 2dbh n PHE 70 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2dbh h GLU 71 N 0.00 -0.78 0.09 -1.08 4.57 -1.15 0.84 114.58 117.08 2dbh h GLU 71 Ca -0.14 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2dbh h GLU 71 Cb 1.47 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 2dbh h GLU 71 CO 0.03 -0.47 -0.05 0.82 -1.18 0.00 0.00 179.01 178.17 2dbh h ILE 72 N -1.05 1.12 -0.08 2.32 2.04 -1.63 -3.13 117.51 117.10 2dbh h ILE 72 Ca -0.08 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 2dbh h ILE 72 Cb 0.67 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2dbh h ILE 72 CO 0.14 0.21 -0.22 0.40 0.00 0.00 0.00 178.15 178.67 2dbh h ILE 73 N -0.53 1.20 -0.04 -0.67 2.04 -1.65 -2.42 117.51 115.43 2dbh h ILE 73 Ca -0.01 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2dbh h ILE 73 Cb 0.44 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2dbh h ILE 73 CO 0.02 0.28 0.05 1.23 0.00 0.00 0.00 178.15 179.72 2dbh h GLY 74 N 0.83 0.00 -2.68 5.37 0.00 0.77 -2.21 103.07 105.15 2dbh h GLY 74 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 2dbh h GLY 74 CO 0.03 0.00 -0.73 3.33 0.00 0.00 0.00 176.54 179.17 2dbh n VAL 75 N -3.86 2.10 -0.01 4.60 0.24 -0.93 -3.55 118.33 116.92 2dbh n VAL 75 Ca -0.02 -3.46 -0.01 0.00 -2.04 0.00 0.00 64.34 58.81 2dbh n VAL 75 Cb 0.14 -0.40 -0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 -0.78 0.07 -3.63 7.34 4.81 -0.83 -5.05 118.16 120.09 2dbh n LYS 76 Ca 0.28 0.03 -0.00 0.00 -0.87 0.00 0.00 58.31 57.74 2dbh n LYS 76 Cb 0.85 -0.54 -0.01 0.00 0.02 0.00 0.00 35.03 35.36 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 -4.52 -0.09 0.38 3.14 0.15 -1.26 -5.02 113.70 106.49 2dbh s SER 77 Ca -0.04 -0.16 0.19 0.00 0.70 0.00 0.00 55.95 56.64 2dbh s SER 77 Cb 0.01 0.21 0.74 0.00 -1.71 0.00 0.00 66.02 65.27 2dbh s SER 77 CO 0.06 -0.39 1.77 -0.61 1.20 0.00 0.00 173.24 175.27 2dbh h GLN 78 N 2.00 0.00 -0.02 5.44 4.15 -1.92 0.64 115.11 125.39 2dbh h GLN 78 Ca -0.27 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.06 2dbh h GLN 78 Cb 1.20 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 2dbh h GLN 78 CO 0.27 0.36 -0.40 1.49 -1.93 0.00 0.00 178.83 178.63 2dbh h GLU 79 N 0.00 0.05 0.00 1.69 4.81 -1.98 -1.40 114.58 117.75 2dbh h GLU 79 Ca -0.00 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.86 2dbh h GLU 79 Cb 0.83 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.14 2dbh h GLU 79 CO 0.05 0.44 -2.19 0.00 -0.73 0.00 0.00 179.01 176.57 2dbh n ALA 80 N -2.47 1.48 -0.01 2.92 0.00 -1.09 -3.98 120.51 117.36 2dbh n ALA 80 Ca -0.02 -1.15 -0.13 0.00 0.00 0.00 0.00 53.44 52.15 2dbh n ALA 80 Cb 0.44 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 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 0.01 -0.07 0.00 0.87 -0.84 -1.47 113.55 112.06 2dbh h SER 81 Ca -0.47 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2dbh h SER 81 Cb 2.16 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.11 2dbh h SER 81 CO 0.04 0.45 0.05 -0.61 -0.53 0.00 0.00 176.83 176.22 2dbh h GLN 82 N -0.43 0.08 0.00 2.24 5.75 -1.47 -1.26 115.11 120.01 2dbh h GLN 82 Ca 0.00 -0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.30 2dbh h GLN 82 Cb 0.45 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2dbh h GLN 82 CO 0.00 0.05 -0.91 1.15 -2.65 0.00 0.00 178.83 176.47 2dbh h THR 83 N 0.08 1.63 0.45 2.39 2.02 -1.67 -2.95 112.91 114.86 2dbh h THR 83 Ca 0.03 -3.17 -0.02 0.00 0.77 0.00 0.00 66.41 64.02 2dbh h THR 83 Cb 0.01 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2dbh h THR 83 CO -0.00 0.90 -0.22 0.25 0.37 0.00 0.00 175.52 176.81 2dbh h LEU 84 N 0.00 -0.51 -1.94 2.58 5.85 -0.14 0.81 115.31 121.97 2dbh h LEU 84 Ca -0.01 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dbh h LEU 84 Cb 1.65 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 2dbh h LEU 84 CO 0.12 -0.11 0.07 -0.07 -0.34 0.00 0.00 178.44 178.11 2dbh h LEU 85 N -1.02 0.07 0.15 2.25 3.38 -1.56 -2.23 115.31 116.36 2dbh h LEU 85 Ca -0.06 -0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.59 2dbh h LEU 85 Cb 0.57 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dbh h LEU 85 CO 0.10 0.05 -1.56 0.44 0.09 0.00 0.00 178.44 177.56 2dbh h ASP 86 N 0.09 0.48 -0.26 -0.43 5.19 -1.49 -3.29 116.42 116.71 2dbh h ASP 86 Ca 0.05 -0.65 0.08 0.00 -0.62 0.00 0.00 57.03 55.88 2dbh h ASP 86 Cb 0.08 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2dbh h ASP 86 CO -0.01 1.54 0.20 -1.28 -3.12 0.00 0.00 179.24 176.58 2dbh h SER 87 N 0.08 0.00 0.24 6.45 0.87 0.13 0.82 113.55 122.15 2dbh h SER 87 Ca -0.26 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2dbh h SER 87 Cb 2.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 2dbh h SER 87 CO 0.18 0.00 -0.12 0.58 -0.53 0.00 0.00 176.83 176.94 2dbh h VAL 88 N 0.00 0.10 -0.43 2.23 2.07 -1.58 -2.58 116.25 116.06 2dbh h VAL 88 Ca 0.12 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 2dbh h VAL 88 Cb 0.53 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2dbh h VAL 88 CO -0.00 0.03 -0.09 1.88 0.02 0.00 0.00 177.57 179.40 2dbh h TYR 89 N -1.07 0.84 -0.75 1.57 0.05 -1.58 0.47 116.97 116.50 2dbh h TYR 89 Ca -0.03 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.58 2dbh h TYR 89 Cb 0.30 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2dbh h TYR 89 CO 0.01 0.83 0.38 1.03 -1.05 0.00 0.00 178.16 179.36 2dbh h SER 90 N 0.70 0.96 0.51 3.88 0.87 0.54 -3.02 113.55 117.99 2dbh h SER 90 Ca 0.12 -0.12 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2dbh h SER 90 Cb 0.57 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2dbh h SER 90 CO 0.03 0.81 -1.45 0.45 -0.53 0.00 0.00 176.83 176.15 2dbh h HIS 91 N 1.04 0.45 -3.58 2.24 3.86 -1.27 -3.41 115.15 114.49 2dbh h HIS 91 Ca 0.26 -0.33 -0.76 0.00 -1.16 0.00 0.00 60.37 58.38 2dbh h HIS 91 Cb 0.09 -0.02 -0.28 0.00 1.06 0.00 0.00 27.41 28.27 2dbh h HIS 91 CO 0.01 1.34 -0.09 -0.51 0.86 0.00 0.00 177.93 179.54 2dbh s LEU 92 N -7.01 6.29 0.42 2.43 1.43 0.16 -4.90 118.68 117.50 2dbh s LEU 92 Ca -0.07 -2.46 0.20 0.00 -1.03 0.00 0.00 54.13 50.76 2dbh s LEU 92 Cb 0.07 -2.13 0.95 0.00 0.03 0.00 0.00 46.19 45.11 2dbh s LEU 92 CO 0.86 -0.61 1.87 1.55 0.23 0.00 0.00 176.35 180.26 2dbh h PRO 93 N 7.94 0.00 -0.17 1.29 0.13 -1.81 -2.85 132.00 136.54 2dbh h PRO 93 Ca -0.03 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2dbh h PRO 93 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2dbh h PRO 93 CO 0.81 0.28 0.12 -0.44 -0.23 0.00 0.00 178.00 178.54 2dbh h ASP 94 N 0.00 0.17 0.00 1.44 3.32 -1.90 -2.54 116.42 116.91 2dbh h ASP 94 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2dbh h ASP 94 Cb 0.63 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2dbh h ASP 94 CO 0.04 0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 2dbh n LEU 95 N -4.51 0.01 0.00 1.55 4.77 -1.07 -4.80 117.00 112.94 2dbh n LEU 95 Ca -0.00 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 2dbh n LEU 95 Cb 0.11 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2dbh n LEU 95 CO 0.34 -0.48 0.00 0.18 -1.33 0.00 0.00 177.39 176.10 2dbh n LEU 96 N -1.95 0.00 -3.60 2.23 4.77 -1.19 -5.15 117.00 112.10 2dbh n LEU 96 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2dbh n LEU 96 Cb 0.00 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2dbh n LEU 96 CO 0.00 -0.25 1.11 -0.94 -1.33 0.00 0.00 177.39 175.98 2dbh s SER 97 N -2.32 -0.04 -0.13 -1.43 1.04 -0.96 -5.04 113.70 104.81 2dbh s SER 97 Ca 0.00 -0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 2dbh s SER 97 Cb 0.00 0.11 0.10 0.00 0.10 0.00 0.00 66.02 66.34 2dbh s SER 97 CO 0.00 -0.21 0.88 -0.83 0.98 0.00 0.00 173.24 174.06 2dbh s GLY 98 N -2.95 -0.38 0.51 7.32 0.00 -1.26 -4.67 107.32 105.89 2dbh s GLY 98 Ca 0.14 1.81 -0.21 0.00 0.00 0.00 0.00 44.72 46.46 2dbh s GLY 98 CO -0.05 1.07 0.91 -1.05 0.00 0.00 0.00 173.10 173.98 2dbh n PRO 99 N 0.94 1.03 -0.85 2.90 -0.02 -1.26 -4.93 135.00 132.80 2dbh n PRO 99 Ca -0.14 0.38 -0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2dbh n PRO 99 Cb 0.57 -2.03 0.18 0.00 -0.02 0.00 0.00 33.50 32.21 2dbh n PRO 99 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2dbh n SER 100 N 0.03 2.45 -1.18 2.55 3.41 -1.26 -4.59 113.62 115.03 2dbh n SER 100 Ca 0.11 -3.85 -0.05 0.00 -0.26 0.00 0.00 58.87 54.82 2dbh n SER 100 Cb 0.44 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 2dbh n SER 100 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dbh n SER 101 N -1.07 -0.87 0.00 4.04 7.64 -1.26 -5.38 113.62 116.71 2dbh n SER 101 Ca 0.28 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.49 2dbh n SER 101 Cb 0.85 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64