#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 -0.54 0.80 1.61 0.15 -1.26 -5.13 113.70 109.33 2dbh s SER 2 Ca 0.00 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2dbh s SER 2 Cb 0.00 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2dbh s SER 2 CO 0.00 -0.18 0.00 -0.24 1.20 0.00 0.00 173.24 174.02 2dbh n SER 3 N 2.91 -6.51 0.00 5.45 2.88 -1.26 -4.97 113.62 112.13 2dbh n SER 3 Ca -0.14 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2dbh n SER 3 Cb 0.56 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 -1.11 0.93 3.62 0.46 0.00 -1.26 -5.07 105.19 102.76 2dbh n GLY 4 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.88 5.87 -0.52 1.61 0.01 -1.26 -4.94 113.70 113.59 2dbh s SER 5 Ca 0.00 1.88 0.04 0.00 1.31 0.00 0.00 55.95 59.18 2dbh s SER 5 Cb 0.00 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.84 2dbh s SER 5 CO 0.00 -1.63 0.26 -0.55 0.41 0.00 0.00 173.24 171.73 2dbh s SER 6 N 6.50 4.31 0.00 2.44 0.15 -1.26 -4.97 113.70 120.87 2dbh s SER 6 Ca 0.90 -3.02 0.00 0.00 0.70 0.00 0.00 55.95 54.52 2dbh s SER 6 Cb -0.31 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2dbh s SER 6 CO 0.35 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2dbh n GLY 7 N 3.09 1.83 3.55 9.45 0.00 -1.26 -5.06 105.19 116.80 2dbh n GLY 7 Ca 0.05 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2dbh n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbh s SER 8 N 1.45 6.22 0.12 1.61 0.15 -1.26 -4.67 113.70 117.32 2dbh s SER 8 Ca 0.00 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2dbh s SER 8 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2dbh s SER 8 CO 0.00 -1.77 0.00 -0.24 1.20 0.00 0.00 173.24 172.43 2dbh n SER 9 N 9.46 0.77 -1.57 5.45 2.88 -1.26 -5.16 113.62 124.19 2dbh n SER 9 Ca 0.15 0.17 -0.03 0.00 -1.33 0.00 0.00 58.87 57.83 2dbh n SER 9 Cb 0.50 -0.18 0.01 0.00 -0.75 0.00 0.00 64.21 63.78 2dbh n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dbh n ALA 10 N -3.36 -0.46 -1.87 -1.46 0.00 -1.26 -5.06 120.51 107.04 2dbh n ALA 10 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 2dbh n ALA 10 Cb 0.00 0.34 0.06 0.00 0.00 0.00 0.00 19.45 19.85 2dbh n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dbh n LEU 11 N 0.00 4.80 -0.03 0.00 7.99 -1.26 -4.78 117.00 123.72 2dbh n LEU 11 Ca -0.02 -4.54 -0.03 0.00 -0.01 0.00 0.00 56.01 51.41 2dbh n LEU 11 Cb 0.19 -0.44 -0.01 0.00 -0.11 0.00 0.00 43.42 43.05 2dbh n LEU 11 CO 0.09 1.91 -0.21 -0.24 -1.51 0.00 0.00 177.39 177.43 2dbh n SER 12 N -0.81 0.73 -2.93 -1.43 2.88 -1.26 -4.99 113.62 105.81 2dbh n SER 12 Ca 0.41 0.24 -0.13 0.00 -1.33 0.00 0.00 58.87 58.07 2dbh n SER 12 Cb 0.91 -0.61 0.10 0.00 -0.75 0.00 0.00 64.21 63.86 2dbh n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dbh n ARG 13 N -3.22 -1.67 -2.30 -1.46 1.74 -1.26 -4.90 116.66 103.58 2dbh n ARG 13 Ca -0.04 -0.77 -0.40 0.00 -0.77 0.00 0.00 57.85 55.87 2dbh n ARG 13 Cb 0.16 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 2dbh n ARG 13 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2dbh s ASN 14 N -2.82 5.83 0.34 0.55 3.84 -1.26 -4.55 114.94 116.88 2dbh s ASN 14 Ca 0.31 0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.50 2dbh s ASN 14 Cb -0.03 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 2dbh s ASN 14 CO 0.23 -1.98 0.00 0.61 -2.79 0.00 0.00 177.10 173.17 2dbh n GLY 15 N 5.45 -0.83 3.58 1.21 0.00 -1.26 -5.06 105.19 108.27 2dbh n GLY 15 Ca 0.13 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.86 6.57 0.00 1.61 0.15 -1.26 -4.95 113.70 111.96 2dbh s SER 16 Ca 0.00 0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.85 2dbh s SER 16 Cb 0.00 -2.48 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2dbh s SER 16 CO 0.00 -1.08 0.79 -0.26 1.20 0.00 0.00 173.24 173.89 2dbh h PHE 17 N 9.01 -0.32 -3.71 3.44 0.04 -1.98 -3.45 116.94 119.97 2dbh h PHE 17 Ca -0.24 -0.01 -0.68 0.00 2.80 0.00 0.00 57.97 59.85 2dbh h PHE 17 Cb 1.07 0.11 -0.18 0.00 2.20 0.00 0.00 35.95 39.14 2dbh h PHE 17 CO 0.89 -0.20 -0.73 0.42 -0.60 0.00 0.00 178.31 178.09 2dbh s ILE 18 N -3.12 3.41 0.44 -0.55 1.01 -1.26 -5.03 121.20 116.09 2dbh s ILE 18 Ca -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.77 2dbh s ILE 18 Cb 0.01 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 2dbh s ILE 18 CO 0.15 0.38 0.13 -0.89 0.00 0.00 0.00 174.94 174.70 2dbh s THR 19 N -0.98 2.01 0.35 2.92 2.01 -1.26 -5.02 115.64 115.67 2dbh s THR 19 Ca 0.16 -1.81 0.08 0.00 0.31 0.00 0.00 61.69 60.44 2dbh s THR 19 Cb -0.11 -2.82 0.11 0.00 0.01 0.00 0.00 72.50 69.70 2dbh s THR 19 CO 0.07 0.00 1.84 0.50 -0.69 0.00 0.00 174.62 176.34 2dbh h LYS 20 N 1.46 0.24 -0.10 4.92 1.63 -2.00 -2.41 116.57 120.31 2dbh h LYS 20 Ca -0.43 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.24 2dbh h LYS 20 Cb 1.26 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 2dbh h LYS 20 CO 0.73 0.46 -0.21 0.93 -3.45 0.00 0.00 179.45 177.91 2dbh h GLU 21 N 0.22 0.16 -0.00 1.90 3.07 -2.00 -1.99 114.58 115.94 2dbh h GLU 21 Ca 0.04 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 2dbh h GLU 21 Cb 0.53 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.44 2dbh h GLU 21 CO 0.04 0.38 -0.82 0.87 -1.40 0.00 0.00 179.01 178.08 2dbh h LYS 22 N 0.15 0.56 -0.70 2.33 1.57 -1.85 -3.12 116.57 115.51 2dbh h LYS 22 Ca 0.03 -0.60 -0.03 0.00 -1.87 0.00 0.00 60.65 58.18 2dbh h LYS 22 Cb 0.47 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2dbh h LYS 22 CO 0.03 1.22 0.34 0.87 -0.57 0.00 0.00 179.45 181.33 2dbh h LYS 23 N 0.15 1.00 -0.38 3.15 6.56 -1.29 -2.85 116.57 122.90 2dbh h LYS 23 Ca -0.10 -0.15 0.03 0.00 -1.06 0.00 0.00 60.65 59.37 2dbh h LYS 23 Cb 1.50 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 2dbh h LYS 23 CO 0.16 0.79 0.18 0.22 -2.06 0.00 0.00 179.45 178.74 2dbh h ASP 24 N 0.97 0.26 -0.22 0.86 1.82 -1.43 -1.20 116.42 117.47 2dbh h ASP 24 Ca 0.24 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.97 2dbh h ASP 24 Cb 0.12 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2dbh h ASP 24 CO -0.03 0.19 0.16 0.74 -1.61 0.00 0.00 179.24 178.69 2dbh h THR 25 N 0.38 0.87 -0.00 2.25 2.02 -1.44 0.40 112.91 117.38 2dbh h THR 25 Ca 0.16 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 2dbh h THR 25 Cb 0.08 0.89 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2dbh h THR 25 CO -0.12 0.00 -0.45 0.58 0.37 0.00 0.00 175.52 175.90 2dbh h VAL 26 N 0.00 1.48 -0.00 3.16 2.07 -1.06 -3.19 116.25 118.71 2dbh h VAL 26 Ca 0.10 -2.02 -0.13 0.00 0.82 0.00 0.00 66.70 65.48 2dbh h VAL 26 Cb 0.43 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 2dbh h VAL 26 CO -0.00 0.57 -0.64 -0.07 0.02 0.00 0.00 177.57 177.45 2dbh h LEU 27 N -0.27 0.00 0.19 2.57 3.38 -0.66 -3.13 115.31 117.40 2dbh h LEU 27 Ca -0.05 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2dbh h LEU 27 Cb 1.18 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2dbh h LEU 27 CO 0.09 0.64 -0.14 -0.09 0.09 0.00 0.00 178.44 179.02 2dbh h ARG 28 N 0.00 -0.33 0.00 1.13 2.43 -0.30 0.71 114.38 118.03 2dbh h ARG 28 Ca -0.01 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2dbh h ARG 28 Cb 1.13 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2dbh h ARG 28 CO 0.08 -0.22 -0.08 1.96 -1.51 0.00 0.00 179.97 180.20 2dbh h GLN 29 N -0.34 0.00 0.22 0.20 4.20 -1.59 -2.48 115.11 115.32 2dbh h GLN 29 Ca -0.01 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.40 2dbh h GLN 29 Cb 0.30 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.11 2dbh h GLN 29 CO -0.00 0.08 -1.32 0.28 -0.67 0.00 0.00 178.83 177.19 2dbh h VAL 30 N 0.00 1.33 -0.13 -0.54 2.07 -1.33 -3.28 116.25 114.37 2dbh h VAL 30 Ca -0.00 -2.64 0.03 0.00 0.82 0.00 0.00 66.70 64.91 2dbh h VAL 30 Cb 0.14 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2dbh h VAL 30 CO 0.01 0.78 0.09 0.03 0.02 0.00 0.00 177.57 178.51 2dbh h ARG 31 N 0.05 0.02 -0.38 1.57 3.08 0.83 -1.88 114.38 117.68 2dbh h ARG 31 Ca -0.23 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 2dbh h ARG 31 Cb 2.04 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.07 2dbh h ARG 31 CO 0.25 0.01 0.08 -0.07 -1.07 0.00 0.00 179.97 179.18 2dbh h LEU 32 N 0.02 0.58 -6.31 3.04 3.38 -1.51 -3.41 115.31 111.10 2dbh h LEU 32 Ca 0.06 -0.24 -0.25 0.00 0.09 0.00 0.00 57.88 57.54 2dbh h LEU 32 Cb 0.22 -0.15 -0.29 0.00 0.09 0.00 0.00 40.66 40.52 2dbh h LEU 32 CO -0.00 0.67 -0.59 -1.81 0.09 0.00 0.00 178.44 176.80 2dbh s ASP 33 N -5.99 0.57 0.46 -0.43 1.11 -0.76 -5.15 116.67 106.49 2dbh s ASP 33 Ca -0.13 -0.93 -0.22 0.00 0.18 0.00 0.00 52.55 51.45 2dbh s ASP 33 Cb 0.10 0.95 -0.10 0.00 1.07 0.00 0.00 42.92 44.93 2dbh s ASP 33 CO 0.77 -0.30 0.81 -2.65 1.18 0.00 0.00 175.17 174.98 2dbh n PRO 34 N 4.81 0.96 -3.91 8.23 -0.02 -0.90 -4.78 135.00 139.38 2dbh n PRO 34 Ca 0.06 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 2dbh n PRO 34 Cb 0.48 -1.87 -0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 -3.13 6.90 -0.25 0.00 1.11 -1.26 -4.92 116.67 115.12 2dbh s ASP 36 Ca 0.21 2.10 0.09 0.00 0.18 0.00 0.00 52.55 55.13 2dbh s ASP 36 Cb -0.03 -2.57 0.44 0.00 1.07 0.00 0.00 42.92 41.83 2dbh s ASP 36 CO 0.15 -0.66 1.25 0.18 1.18 0.00 0.00 175.17 177.26 2dbh n LEU 37 N 4.93 3.70 -0.03 1.23 4.77 -1.26 -4.76 117.00 125.57 2dbh n LEU 37 Ca 0.12 -4.20 -0.11 0.00 -0.03 0.00 0.00 56.01 51.80 2dbh n LEU 37 Cb 0.44 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2dbh n LEU 37 CO 0.58 1.64 0.35 -0.61 -1.33 0.00 0.00 177.39 178.02 2dbh h GLN 38 N 1.43 -0.06 -0.73 3.23 -0.00 -1.99 -2.76 115.11 114.23 2dbh h GLN 38 Ca 0.16 0.00 0.21 0.00 -0.00 0.00 0.00 58.65 59.02 2dbh h GLN 38 Cb 1.24 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.71 2dbh h GLN 38 CO 0.33 0.56 0.61 -1.35 0.00 0.00 0.00 178.83 178.98 2dbh h PRO 39 N -0.91 0.00 0.18 -2.39 0.11 -1.99 0.35 132.00 127.35 2dbh h PRO 39 Ca -0.01 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.80 2dbh h PRO 39 Cb 0.65 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.77 2dbh h PRO 39 CO 0.01 0.00 -1.46 0.82 -0.21 0.00 0.00 178.00 177.16 2dbh h ILE 40 N 0.00 1.13 0.05 4.15 2.04 -1.87 -3.25 117.51 119.75 2dbh h ILE 40 Ca 0.35 -2.53 -0.00 0.00 1.00 0.00 0.00 64.86 63.68 2dbh h ILE 40 Cb 1.56 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.53 2dbh h ILE 40 CO -0.00 0.79 -0.02 -0.26 0.00 0.00 0.00 178.15 178.65 2dbh h PHE 41 N -0.07 -0.06 -0.13 1.37 0.04 -0.76 -2.90 116.94 114.44 2dbh h PHE 41 Ca -0.28 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.52 2dbh h PHE 41 Cb 1.96 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 40.12 2dbh h PHE 41 CO 0.13 0.44 0.24 0.22 -0.60 0.00 0.00 178.31 178.74 2dbh h ASP 42 N -0.59 0.00 1.27 2.17 3.58 -0.57 1.11 116.42 123.39 2dbh h ASP 42 Ca -0.01 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2dbh h ASP 42 Cb 0.52 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2dbh h ASP 42 CO 0.01 0.00 -0.76 -0.78 -2.88 0.00 0.00 179.24 174.83 2dbh h ASP 43 N 0.00 0.00 -0.00 2.28 3.58 -1.57 -3.34 116.42 117.37 2dbh h ASP 43 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2dbh h ASP 43 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2dbh h ASP 43 CO -0.00 0.32 -0.48 0.23 -2.88 0.00 0.00 179.24 176.43 2dbh n MET 44 N -2.99 3.21 -0.25 0.28 2.81 0.65 -4.57 117.12 116.26 2dbh n MET 44 Ca -0.01 -0.09 -0.06 0.00 -1.81 0.00 0.00 57.70 55.73 2dbh n MET 44 Cb 0.68 -1.03 0.05 0.00 -0.71 0.00 0.00 33.22 32.21 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 0.18 0.83 -1.87 4.03 3.38 0.97 -1.99 115.31 120.84 2dbh h LEU 45 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2dbh h LEU 45 Cb 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2dbh h LEU 45 CO 0.00 0.65 -0.01 -0.74 0.09 0.00 0.00 178.44 178.43 2dbh h HIS 46 N 0.94 0.07 -0.06 1.13 2.76 -1.81 -1.38 115.15 116.80 2dbh h HIS 46 Ca 0.25 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 2dbh h HIS 46 Cb -0.03 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2dbh h HIS 46 CO -0.01 0.08 -0.30 0.74 -1.30 0.00 0.00 177.93 177.14 2dbh h PHE 47 N 0.07 0.12 -4.30 5.26 -1.00 -1.64 -3.44 116.94 112.02 2dbh h PHE 47 Ca 0.02 -0.02 -0.47 0.00 2.81 0.00 0.00 57.97 60.30 2dbh h PHE 47 Cb 0.06 -0.03 0.08 0.00 3.61 0.00 0.00 35.95 39.68 2dbh h PHE 47 CO 0.00 0.40 0.35 -0.51 -1.61 0.00 0.00 178.31 176.94 2dbh s LEU 48 N -8.40 2.75 0.35 1.54 1.43 -0.52 -5.07 118.68 110.75 2dbh s LEU 48 Ca -0.04 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 53.94 2dbh s LEU 48 Cb 0.15 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2dbh s LEU 48 CO 0.73 -1.60 0.14 0.20 0.23 0.00 0.00 176.35 176.05 2dbh s ASN 49 N -4.48 4.62 0.27 2.29 0.01 -1.26 -4.95 114.94 111.44 2dbh s ASN 49 Ca 0.60 -0.82 -0.00 0.00 -0.71 0.00 0.00 52.86 51.93 2dbh s ASN 49 Cb -0.11 -0.68 0.55 0.00 0.41 0.00 0.00 41.25 41.42 2dbh s ASN 49 CO 0.48 -0.32 1.77 -0.65 -1.51 0.00 0.00 177.10 176.87 2dbh h PRO 50 N 1.55 0.67 -0.37 -0.60 0.11 -1.98 0.51 132.00 131.89 2dbh h PRO 50 Ca -0.43 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2dbh h PRO 50 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2dbh h PRO 50 CO 0.64 0.44 -0.26 1.49 -0.21 0.00 0.00 178.00 180.11 2dbh h GLU 51 N 0.69 0.76 -0.01 1.05 4.57 -2.01 -2.89 114.58 116.74 2dbh h GLU 51 Ca 0.48 -0.32 -0.21 0.00 -1.18 0.00 0.00 59.36 58.13 2dbh h GLU 51 Cb 0.65 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2dbh h GLU 51 CO -0.35 0.93 -0.88 0.93 -1.18 0.00 0.00 179.01 178.46 2dbh h GLU 52 N 0.65 0.31 -0.43 1.92 5.08 -1.57 -3.19 114.58 117.36 2dbh h GLU 52 Ca 0.08 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2dbh h GLU 52 Cb 0.77 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2dbh h GLU 52 CO 0.06 1.01 0.23 -0.07 -1.00 0.00 0.00 179.01 179.25 2dbh h LEU 53 N 0.18 0.52 -0.67 1.33 3.38 0.07 -2.32 115.31 117.79 2dbh h LEU 53 Ca -0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2dbh h LEU 53 Cb 1.50 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 2dbh h LEU 53 CO 0.14 0.42 0.39 -0.09 0.09 0.00 0.00 178.44 179.39 2dbh h ARG 54 N 0.59 0.93 -0.13 1.13 2.43 -1.50 0.62 114.38 118.45 2dbh h ARG 54 Ca 0.15 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2dbh h ARG 54 Cb 0.02 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2dbh h ARG 54 CO -0.03 0.68 -0.14 0.28 -1.51 0.00 0.00 179.97 179.26 2dbh h VAL 55 N 0.92 1.17 0.09 0.20 2.07 -1.51 -2.04 116.25 117.15 2dbh h VAL 55 Ca 0.24 -0.76 -0.30 0.00 0.82 0.00 0.00 66.70 66.69 2dbh h VAL 55 Cb 0.01 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2dbh h VAL 55 CO -0.04 0.24 -1.57 0.40 0.02 0.00 0.00 177.57 176.61 2dbh h ILE 56 N 0.20 1.09 -0.04 4.57 2.04 -1.18 -3.33 117.51 120.86 2dbh h ILE 56 Ca 0.04 -2.78 -0.05 0.00 1.00 0.00 0.00 64.86 63.07 2dbh h ILE 56 Cb 0.37 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 2dbh h ILE 56 CO 0.02 0.78 -0.22 -0.33 0.00 0.00 0.00 178.15 178.40 2dbh h GLU 57 N 0.05 0.06 -0.07 2.37 5.08 0.46 -2.27 114.58 120.27 2dbh h GLU 57 Ca -0.25 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2dbh h GLU 57 Cb 2.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 2dbh h GLU 57 CO 0.14 0.28 -0.10 0.93 -1.00 0.00 0.00 179.01 179.26 2dbh h GLU 58 N 0.06 0.10 -6.61 2.33 4.39 -1.48 -3.40 114.58 109.97 2dbh h GLU 58 Ca 0.01 -0.02 -0.56 0.00 0.34 0.00 0.00 59.36 59.13 2dbh h GLU 58 Cb 0.42 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 2dbh h GLU 58 CO 0.03 0.20 0.93 0.42 -1.16 0.00 0.00 179.01 179.44 2dbh s ILE 59 N -4.81 4.22 0.09 3.13 1.01 -0.86 -4.91 121.20 119.07 2dbh s ILE 59 Ca -0.05 1.28 -0.13 0.00 0.00 0.00 0.00 60.65 61.75 2dbh s ILE 59 Cb 0.16 -4.51 -0.18 0.00 0.01 0.00 0.00 42.46 37.94 2dbh s ILE 59 CO 0.70 -0.87 1.27 1.55 0.00 0.00 0.00 174.94 177.59 2dbh h PRO 60 N 9.21 0.76 -7.19 2.79 0.13 -1.85 -3.45 132.00 132.40 2dbh h PRO 60 Ca -0.23 -0.68 -0.53 0.00 -0.87 0.00 0.00 66.00 63.69 2dbh h PRO 60 Cb 1.07 0.16 0.19 0.00 0.13 0.00 0.00 31.00 32.55 2dbh h PRO 60 CO 1.10 1.27 0.23 1.04 -0.23 0.00 0.00 178.00 181.42 2dbh n GLN 61 N -3.93 -0.07 -0.03 0.86 6.02 -1.26 -4.97 117.38 114.00 2dbh n GLN 61 Ca -0.09 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 2dbh n GLN 61 Cb 0.78 -2.38 -0.13 0.00 1.02 0.00 0.00 30.24 29.53 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dbh n ALA 62 N -3.63 1.07 -0.12 -1.58 0.00 -1.26 -3.24 120.51 111.75 2dbh n ALA 62 Ca 0.13 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 2dbh n ALA 62 Cb 0.51 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 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 0.05 0.55 -0.02 0.00 3.07 -1.99 -2.65 114.58 113.59 2dbh h GLU 63 Ca -0.46 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 58.16 2dbh h GLU 63 Cb 2.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.82 2dbh h GLU 63 CO 0.04 0.57 -0.57 -0.44 -1.40 0.00 0.00 179.01 177.21 2dbh h ASP 64 N 0.42 0.07 -0.43 1.42 5.19 -1.98 -3.15 116.42 117.95 2dbh h ASP 64 Ca 0.11 -0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2dbh h ASP 64 Cb 0.25 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 2dbh h ASP 64 CO -0.00 0.63 0.28 0.50 -3.12 0.00 0.00 179.24 177.53 2dbh h LYS 65 N 0.05 0.56 -0.12 3.56 3.64 -1.47 -1.97 116.57 120.82 2dbh h LYS 65 Ca -0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2dbh h LYS 65 Cb 1.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2dbh h LYS 65 CO 0.08 0.37 -0.07 1.25 -2.27 0.00 0.00 179.45 178.81 2dbh h LEU 66 N 0.58 0.15 -1.04 5.20 5.85 -1.44 -2.17 115.31 122.44 2dbh h LEU 66 Ca 0.16 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2dbh h LEU 66 Cb -0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2dbh h LEU 66 CO -0.04 0.25 0.20 -0.78 -0.34 0.00 0.00 178.44 177.73 2dbh h ASP 67 N 0.17 0.82 0.09 1.25 1.82 -1.35 -2.52 116.42 116.70 2dbh h ASP 67 Ca 0.04 -0.13 -0.16 0.00 -0.39 0.00 0.00 57.03 56.39 2dbh h ASP 67 Cb 0.23 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 2dbh h ASP 67 CO 0.01 0.76 -0.58 -0.09 -1.61 0.00 0.00 179.24 177.73 2dbh h ARG 68 N 0.86 0.51 -0.53 0.28 9.65 -1.15 -2.46 114.38 121.54 2dbh h ARG 68 Ca 0.20 -0.33 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 2dbh h ARG 68 Cb 0.23 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 2dbh h ARG 68 CO -0.01 0.94 0.19 1.25 2.80 0.00 0.00 179.97 185.15 2dbh h LEU 69 N 0.38 0.70 -0.32 3.80 5.85 -1.17 -1.83 115.31 122.72 2dbh h LEU 69 Ca -0.00 -0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.45 2dbh h LEU 69 Cb 1.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2dbh h LEU 69 CO 0.11 0.65 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.75 2dbh h PHE 70 N 0.76 0.01 -0.37 1.25 -1.00 -1.37 -2.15 116.94 114.07 2dbh h PHE 70 Ca 0.18 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.82 2dbh h PHE 70 Cb 0.18 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2dbh h PHE 70 CO 0.01 0.85 -0.31 1.49 -1.61 0.00 0.00 178.31 178.74 2dbh h GLU 71 N 0.00 0.80 0.05 1.51 4.57 -0.93 0.83 114.58 121.42 2dbh h GLU 71 Ca -0.01 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2dbh h GLU 71 Cb 1.49 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 2dbh h GLU 71 CO 0.11 1.00 -0.03 0.82 -1.18 0.00 0.00 179.01 179.73 2dbh h ILE 72 N 0.67 1.03 0.00 2.32 2.04 -1.37 -3.33 117.51 118.87 2dbh h ILE 72 Ca 0.07 -1.57 -0.11 0.00 1.00 0.00 0.00 64.86 64.26 2dbh h ILE 72 Cb 0.85 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 2dbh h ILE 72 CO 0.07 0.32 -0.51 0.40 0.00 0.00 0.00 178.15 178.44 2dbh h ILE 73 N -0.94 1.30 -0.01 -0.67 2.04 -1.47 -2.93 117.51 114.83 2dbh h ILE 73 Ca -0.01 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2dbh h ILE 73 Cb 0.58 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2dbh h ILE 73 CO 0.01 0.50 0.09 1.23 0.00 0.00 0.00 178.15 179.98 2dbh h GLY 74 N 1.66 0.00 -3.75 5.37 0.00 0.59 -1.74 103.07 105.20 2dbh h GLY 74 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2dbh h GLY 74 CO 0.07 0.00 -0.83 3.33 0.00 0.00 0.00 176.54 179.11 2dbh n VAL 75 N -3.12 2.45 0.00 4.60 0.24 -1.11 -4.12 118.33 117.27 2dbh n VAL 75 Ca -0.03 -4.12 0.00 0.00 -2.04 0.00 0.00 64.34 58.16 2dbh n VAL 75 Cb 0.15 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 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 -0.72 0.00 -3.54 7.34 4.81 -0.65 -5.06 118.16 120.34 2dbh n LYS 76 Ca 0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2dbh n LYS 76 Cb 0.95 -0.10 -0.05 0.00 0.02 0.00 0.00 35.03 35.86 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 -3.47 -0.45 0.61 3.14 0.15 -1.26 -5.02 113.70 107.39 2dbh s SER 77 Ca 0.00 0.41 0.32 0.00 0.70 0.00 0.00 55.95 57.37 2dbh s SER 77 Cb 0.00 0.39 1.86 0.00 -1.71 0.00 0.00 66.02 66.56 2dbh s SER 77 CO 0.00 -0.48 2.22 0.06 1.20 0.00 0.00 173.24 176.24 2dbh h GLN 78 N 2.57 0.00 -0.13 5.44 3.07 -1.96 0.16 115.11 124.25 2dbh h GLN 78 Ca -0.22 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.46 2dbh h GLN 78 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 2dbh h GLN 78 CO 0.33 0.00 -0.20 1.49 0.09 0.00 0.00 178.83 180.55 2dbh h GLU 79 N 0.00 0.21 0.01 0.06 4.81 -1.98 -1.42 114.58 116.27 2dbh h GLU 79 Ca 0.02 -0.06 -0.35 0.00 -0.13 0.00 0.00 59.36 58.84 2dbh h GLU 79 Cb 0.17 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 2dbh h GLU 79 CO -0.00 0.41 -2.21 0.00 -0.73 0.00 0.00 179.01 176.48 2dbh n ALA 80 N -2.49 1.45 -0.07 2.92 0.00 -0.29 -3.87 120.51 118.16 2dbh n ALA 80 Ca -0.01 -1.12 -0.11 0.00 0.00 0.00 0.00 53.44 52.21 2dbh n ALA 80 Cb 0.31 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 0.34 -0.37 0.00 0.87 -0.97 0.54 113.55 113.97 2dbh h SER 81 Ca -0.48 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 59.79 2dbh h SER 81 Cb 2.13 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.98 2dbh h SER 81 CO 0.03 0.49 0.04 -0.61 -0.53 0.00 0.00 176.83 176.25 2dbh h GLN 82 N 0.18 0.71 -0.03 2.24 -0.00 -1.47 -2.57 115.11 114.17 2dbh h GLN 82 Ca 0.07 -0.16 -0.16 0.00 -0.00 0.00 0.00 58.65 58.40 2dbh h GLN 82 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 2dbh h GLN 82 CO 0.00 0.69 -0.70 1.15 0.00 0.00 0.00 178.83 179.98 2dbh h THR 83 N 0.68 1.45 -0.10 2.39 2.02 -1.63 -2.29 112.91 115.43 2dbh h THR 83 Ca 0.14 -2.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.05 2dbh h THR 83 Cb 0.36 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2dbh h THR 83 CO 0.01 0.66 0.01 0.25 0.37 0.00 0.00 175.52 176.82 2dbh h LEU 84 N 0.10 0.12 0.02 2.58 5.85 -0.47 0.25 115.31 123.76 2dbh h LEU 84 Ca -0.02 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 2dbh h LEU 84 Cb 1.24 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2dbh h LEU 84 CO 0.10 0.14 -1.69 -0.07 -0.34 0.00 0.00 178.44 176.58 2dbh h LEU 85 N 0.13 0.07 -0.32 2.25 3.38 -1.44 -3.33 115.31 116.05 2dbh h LEU 85 Ca 0.03 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 2dbh h LEU 85 Cb 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2dbh h LEU 85 CO 0.00 1.12 -0.77 0.44 0.09 0.00 0.00 178.44 179.32 2dbh h ASP 86 N 0.01 0.60 -0.87 -0.43 3.32 -0.91 -3.10 116.42 115.05 2dbh h ASP 86 Ca -0.28 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.36 2dbh h ASP 86 Cb 2.00 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 41.33 2dbh h ASP 86 CO 0.09 1.17 0.52 -1.28 -1.72 0.00 0.00 179.24 178.02 2dbh h SER 87 N 0.34 1.05 -0.42 6.45 0.87 -0.66 0.84 113.55 122.01 2dbh h SER 87 Ca -0.04 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 2dbh h SER 87 Cb 1.36 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2dbh h SER 87 CO 0.14 0.81 0.09 0.58 -0.53 0.00 0.00 176.83 177.92 2dbh h VAL 88 N 1.20 1.24 0.02 2.23 2.07 -1.66 -1.46 116.25 119.89 2dbh h VAL 88 Ca 0.31 -0.83 -0.21 0.00 0.82 0.00 0.00 66.70 66.80 2dbh h VAL 88 Cb -0.05 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2dbh h VAL 88 CO -0.06 0.29 -0.96 1.88 0.02 0.00 0.00 177.57 178.74 2dbh h TYR 89 N 0.55 0.14 -0.50 1.57 0.05 -1.40 0.60 116.97 117.98 2dbh h TYR 89 Ca 0.13 -0.09 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 2dbh h TYR 89 Cb 0.34 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 2dbh h TYR 89 CO 0.02 0.99 -0.04 1.03 -1.05 0.00 0.00 178.16 179.12 2dbh h SER 90 N 0.04 0.85 0.24 3.88 0.87 0.83 -3.20 113.55 117.04 2dbh h SER 90 Ca -0.04 -0.23 -0.34 0.00 -1.23 0.00 0.00 61.79 59.95 2dbh h SER 90 Cb 1.66 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 2dbh h SER 90 CO 0.14 0.93 -1.87 0.45 -0.53 0.00 0.00 176.83 175.95 2dbh h HIS 91 N 0.80 0.40 -3.67 2.24 3.86 -1.31 -3.42 115.15 114.05 2dbh h HIS 91 Ca 0.15 -0.29 -0.75 0.00 -1.16 0.00 0.00 60.37 58.31 2dbh h HIS 91 Cb 0.53 -0.02 -0.30 0.00 1.06 0.00 0.00 27.41 28.68 2dbh h HIS 91 CO 0.03 1.57 -0.07 -0.51 0.86 0.00 0.00 177.93 179.81 2dbh s LEU 92 N -6.86 6.06 0.41 2.43 1.43 0.20 -4.90 118.68 117.46 2dbh s LEU 92 Ca -0.17 -2.91 0.19 0.00 -1.03 0.00 0.00 54.13 50.21 2dbh s LEU 92 Cb 0.07 -2.05 0.87 0.00 0.03 0.00 0.00 46.19 45.10 2dbh s LEU 92 CO 0.80 -0.44 1.84 1.55 0.23 0.00 0.00 176.35 180.32 2dbh h PRO 93 N 7.27 0.00 -0.19 1.29 0.13 -1.82 -2.92 132.00 135.76 2dbh h PRO 93 Ca 0.07 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.22 2dbh h PRO 93 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2dbh h PRO 93 CO 0.76 0.32 0.13 0.22 -0.23 0.00 0.00 178.00 179.19 2dbh h ASP 94 N 0.00 0.14 0.09 1.44 3.58 -1.90 -0.73 116.42 119.05 2dbh h ASP 94 Ca -0.00 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2dbh h ASP 94 Cb 0.70 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 2dbh h ASP 94 CO 0.04 0.10 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.37 2dbh h LEU 95 N 0.17 0.00 -3.78 2.28 3.38 -1.88 -1.39 115.31 114.10 2dbh h LEU 95 Ca 0.08 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.58 2dbh h LEU 95 Cb 0.10 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.58 2dbh h LEU 95 CO -0.01 0.07 0.59 0.18 0.09 0.00 0.00 178.44 179.36 2dbh n LEU 96 N -4.21 6.38 -0.09 1.67 4.77 -0.28 -4.42 117.00 120.82 2dbh n LEU 96 Ca -0.03 -3.40 -0.11 0.00 -0.03 0.00 0.00 56.01 52.44 2dbh n LEU 96 Cb 0.15 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.39 2dbh n LEU 96 CO 0.33 1.01 -0.60 -1.20 -1.33 0.00 0.00 177.39 175.59 2dbh n SER 97 N -0.95 1.87 -0.02 -1.43 7.64 -0.52 -5.11 113.62 115.11 2dbh n SER 97 Ca 0.53 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2dbh n SER 97 Cb 1.51 -0.84 -0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.50 -2.06 0.40 0.23 0.00 -1.26 -4.32 105.19 99.69 2dbh n GLY 98 Ca -0.18 -1.49 0.21 0.00 0.00 0.00 0.00 46.02 44.56 2dbh n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dbh h PRO 99 N -0.02 0.00 -6.92 1.61 0.11 -1.99 -3.42 132.00 121.37 2dbh h PRO 99 Ca -0.00 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 2dbh h PRO 99 Cb 0.02 0.00 0.12 0.00 0.11 0.00 0.00 31.00 31.25 2dbh h PRO 99 CO 0.00 0.00 0.62 0.43 -0.21 0.00 0.00 178.00 178.84 2dbh n SER 100 N -3.75 3.01 -3.85 -2.05 7.64 -1.26 -4.99 113.62 108.38 2dbh n SER 100 Ca 0.09 1.11 -0.30 0.00 1.01 0.00 0.00 58.87 60.78 2dbh n SER 100 Cb 0.69 -1.56 -0.14 0.00 -1.01 0.00 0.00 64.21 62.18 2dbh n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dbh s SER 101 N -0.50 4.15 0.00 6.43 1.04 -1.26 -5.02 113.70 118.54 2dbh s SER 101 Ca 0.61 -2.42 0.00 0.00 0.48 0.00 0.00 55.95 54.63 2dbh s SER 101 Cb -0.47 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.36 2dbh s SER 101 CO 0.58 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.09