#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1odb s THR 1 N 0.00 2.06 0.22 2.46 -4.23 -1.26 -4.86 115.64 110.04 1odb s THR 1 Ca 0.00 0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1odb s THR 1 Cb 0.00 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 71.14 1odb s THR 1 CO 0.00 -0.03 1.87 0.07 -0.54 0.00 0.00 174.62 175.99 1odb h LYS 2 N -1.27 0.98 -0.17 3.99 5.09 -2.06 -0.33 116.57 122.81 1odb h LYS 2 Ca -0.48 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.20 1odb h LYS 2 Cb 1.33 -0.22 -0.01 0.00 0.10 0.00 0.00 32.23 33.43 1odb h LYS 2 CO 0.64 0.65 0.11 1.25 -2.09 0.00 0.00 179.45 180.00 1odb h LEU 3 N 1.01 0.19 -1.20 7.07 6.46 -2.00 -1.61 115.31 125.24 1odb h LEU 3 Ca 0.32 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 1odb h LEU 3 Cb 0.00 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1odb h LEU 3 CO -0.11 0.14 0.26 -0.33 -0.62 0.00 0.00 178.44 177.78 1odb h GLU 4 N 0.22 0.81 -0.74 1.25 5.08 -1.79 -1.69 114.58 117.72 1odb h GLU 4 Ca 0.06 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1odb h GLU 4 Cb -0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1odb h GLU 4 CO -0.01 0.65 0.24 0.93 -1.00 0.00 0.00 179.01 179.82 1odb h GLU 5 N 0.81 1.13 -0.59 2.33 5.08 -0.77 0.07 114.58 122.65 1odb h GLU 5 Ca 0.20 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1odb h GLU 5 Cb 0.12 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1odb h GLU 5 CO -0.02 0.96 0.13 0.45 -1.00 0.00 0.00 179.01 179.52 1odb h HIS 6 N 1.09 1.00 -0.60 4.33 3.86 -0.45 0.43 115.15 124.82 1odb h HIS 6 Ca 0.24 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1odb h HIS 6 Cb 0.28 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1odb h HIS 6 CO 0.02 0.85 0.09 -0.07 0.86 0.00 0.00 177.93 179.69 1odb h LEU 7 N 0.85 0.95 -0.80 2.43 3.38 -0.97 -1.15 115.31 120.01 1odb h LEU 7 Ca 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1odb h LEU 7 Cb 0.37 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1odb h LEU 7 CO 0.00 0.97 0.43 -0.33 0.09 0.00 0.00 178.44 179.61 1odb h GLU 8 N 0.90 1.11 -0.59 1.13 5.08 -0.77 -2.06 114.58 119.38 1odb h GLU 8 Ca 0.18 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1odb h GLU 8 Cb 0.43 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1odb h GLU 8 CO 0.01 0.83 0.30 0.78 -1.00 0.00 0.00 179.01 179.93 1odb h GLY 9 N 1.11 0.90 0.96 -3.84 0.00 -0.43 -0.85 103.07 100.92 1odb h GLY 9 Ca 0.28 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1odb h GLY 9 CO -0.04 0.41 0.18 -2.22 0.00 0.00 0.00 176.54 174.87 1odb h ILE 10 N 0.80 1.21 -0.33 2.60 2.04 -0.83 -0.32 117.51 122.69 1odb h ILE 10 Ca 0.21 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.44 1odb h ILE 10 Cb 0.09 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1odb h ILE 10 CO -0.03 0.24 0.15 0.58 0.00 0.00 0.00 178.15 179.10 1odb h VAL 11 N 0.62 0.97 -0.89 1.67 2.07 -1.20 -2.57 116.25 116.92 1odb h VAL 11 Ca 0.16 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1odb h VAL 11 Cb 0.20 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1odb h VAL 11 CO -0.01 0.06 0.53 -1.13 0.02 0.00 0.00 177.57 177.04 1odb h ASN 12 N 0.32 1.08 -0.62 0.57 -0.73 -0.61 -2.89 115.58 112.69 1odb h ASN 12 Ca 0.14 -0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.16 1odb h ASN 12 Cb 0.06 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 1odb h ASN 12 CO -0.11 0.83 0.07 0.40 -0.37 0.00 0.00 177.43 178.25 1odb h ILE 13 N 1.23 1.26 -0.68 2.57 2.04 -0.76 -1.95 117.51 121.22 1odb h ILE 13 Ca 0.32 -1.07 0.10 0.00 1.00 0.00 0.00 64.86 65.20 1odb h ILE 13 Cb -0.04 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1odb h ILE 13 CO -0.06 0.40 0.31 0.15 0.00 0.00 0.00 178.15 178.95 1odb h PHE 14 N 0.99 0.55 -0.11 1.37 3.57 -1.26 -2.45 116.94 119.60 1odb h PHE 14 Ca 0.19 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 1odb h PHE 14 Cb 0.48 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1odb h PHE 14 CO 0.03 0.18 -0.42 0.45 -2.23 0.00 0.00 178.31 176.32 1odb h HIS 15 N 0.53 0.31 -0.71 0.41 3.86 -1.33 -0.08 115.15 118.14 1odb h HIS 15 Ca 0.34 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.50 1odb h HIS 15 Cb 0.38 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 1odb h HIS 15 CO -0.13 0.65 0.47 1.96 0.86 0.00 0.00 177.93 181.74 1odb h GLN 16 N 0.22 0.80 0.03 2.45 4.20 -0.88 -2.72 115.11 119.21 1odb h GLN 16 Ca 0.02 -0.05 -0.30 0.00 0.06 0.00 0.00 58.65 58.38 1odb h GLN 16 Cb 0.84 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1odb h GLN 16 CO 0.07 0.53 -1.73 1.88 -0.67 0.00 0.00 178.83 178.91 1odb h TYR 17 N 0.82 0.11 0.00 2.96 0.05 -1.36 -3.39 116.97 116.15 1odb h TYR 17 Ca 0.29 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.94 1odb h TYR 17 Cb 0.13 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1odb h TYR 17 CO -0.00 1.17 -0.25 0.66 -1.05 0.00 0.00 178.16 178.68 1odb h SER 18 N 0.02 0.00 0.44 3.88 4.64 -0.83 -3.03 113.55 118.66 1odb h SER 18 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1odb h SER 18 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1odb h SER 18 CO 0.09 0.25 -0.02 1.33 -0.87 0.00 0.00 176.83 177.60 1odb n VAL 19 N -3.26 0.00 -0.04 0.95 0.24 -1.04 -4.10 118.33 111.08 1odb n VAL 19 Ca 0.01 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 1odb n VAL 19 Cb 0.53 -0.41 -0.08 0.00 -1.47 0.00 0.00 33.84 32.42 1odb n VAL 19 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1odb h ARG 20 N 0.14 0.56 -4.18 7.34 3.08 -1.76 -3.46 114.38 116.10 1odb h ARG 20 Ca 0.00 -0.44 -0.13 0.00 0.07 0.00 0.00 59.98 59.48 1odb h ARG 20 Cb 0.26 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.23 1odb h ARG 20 CO 0.00 1.06 -0.68 -1.59 -1.07 0.00 0.00 179.97 177.69 1odb s LYS 21 N -3.77 0.54 3.24 0.04 -2.85 -1.26 -5.12 119.74 110.56 1odb s LYS 21 Ca -0.12 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1odb s LYS 21 Cb 0.06 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1odb s LYS 21 CO 0.83 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.60 1odb n GLY 22 N 0.44 1.99 3.71 0.59 0.00 -1.26 -4.57 105.19 106.10 1odb n GLY 22 Ca -0.16 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1odb n GLY 22 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1odb n HIS 23 N 11.15 2.44 0.52 1.61 8.25 -1.26 -4.90 115.22 133.03 1odb n HIS 23 Ca 0.00 0.50 0.12 0.00 -0.26 0.00 0.00 57.72 58.08 1odb n HIS 23 Cb 0.00 -2.45 0.26 0.00 1.12 0.00 0.00 29.99 28.91 1odb n HIS 23 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1odb h PHE 24 N 2.97 0.00 -0.08 4.41 0.04 -1.81 -3.29 116.94 119.18 1odb h PHE 24 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1odb h PHE 24 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1odb h PHE 24 CO 0.52 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.83 1odb n ASP 25 N -2.32 2.44 -3.98 2.17 5.75 -1.26 -3.76 116.55 115.59 1odb n ASP 25 Ca 0.04 -1.81 -0.08 0.00 -0.01 0.00 0.00 54.79 52.93 1odb n ASP 25 Cb 0.45 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 1odb n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1odb s THR 26 N -1.92 0.18 -0.27 2.12 -4.23 -1.24 -4.32 115.64 105.95 1odb s THR 26 Ca 0.33 -1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.24 1odb s THR 26 Cb 0.20 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1odb s THR 26 CO 0.31 -0.81 0.26 -0.76 -0.54 0.00 0.00 174.62 173.08 1odb s LEU 27 N -2.79 4.04 1.21 4.79 1.43 0.08 -4.62 118.68 122.81 1odb s LEU 27 Ca 0.05 0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.09 1odb s LEU 27 Cb 0.06 -2.24 0.29 0.00 0.03 0.00 0.00 46.19 44.32 1odb s LEU 27 CO -0.10 -0.09 1.06 -0.94 0.23 0.00 0.00 176.35 176.51 1odb s SER 28 N 1.66 0.80 0.19 2.29 1.04 -1.26 -0.20 113.70 118.21 1odb s SER 28 Ca 0.10 0.88 -0.09 0.00 0.48 0.00 0.00 55.95 57.32 1odb s SER 28 Cb -0.16 -1.29 0.11 0.00 0.10 0.00 0.00 66.02 64.78 1odb s SER 28 CO 0.10 -4.23 1.73 0.50 0.98 0.00 0.00 173.24 172.32 1odb h LYS 29 N -2.65 1.09 -0.53 4.02 3.64 -1.99 -1.01 116.57 119.13 1odb h LYS 29 Ca -0.49 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1odb h LYS 29 Cb 1.32 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1odb h LYS 29 CO 0.40 0.94 0.34 0.78 -2.27 0.00 0.00 179.45 179.63 1odb h GLY 30 N 1.03 0.76 1.11 5.01 0.00 -1.98 0.14 103.07 109.13 1odb h GLY 30 Ca 0.22 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1odb h GLY 30 CO -0.01 0.29 0.01 0.83 0.00 0.00 0.00 176.54 177.66 1odb h GLU 31 N 0.72 1.07 -0.63 4.80 5.08 -1.84 -1.98 114.58 121.81 1odb h GLU 31 Ca 0.19 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1odb h GLU 31 Cb -0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1odb h GLU 31 CO -0.04 1.03 0.18 1.25 -1.00 0.00 0.00 179.01 180.43 1odb h LEU 32 N 0.98 0.93 -0.22 1.33 5.85 -0.93 -1.20 115.31 122.04 1odb h LEU 32 Ca 0.18 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1odb h LEU 32 Cb 0.54 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1odb h LEU 32 CO 0.03 0.90 -0.18 0.50 -0.34 0.00 0.00 178.44 179.35 1odb h LYS 33 N 0.91 -0.18 -0.78 1.25 3.64 -0.42 0.18 116.57 121.17 1odb h LYS 33 Ca 0.20 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1odb h LYS 33 Cb 0.32 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1odb h LYS 33 CO -0.00 -0.12 0.46 1.96 -2.27 0.00 0.00 179.45 179.48 1odb h GLN 34 N -0.19 1.06 -0.21 1.90 4.20 -1.14 -1.47 115.11 119.26 1odb h GLN 34 Ca 0.13 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1odb h GLN 34 Cb 0.38 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1odb h GLN 34 CO -0.33 0.75 0.10 1.25 -0.67 0.00 0.00 178.83 179.93 1odb h LEU 35 N 1.06 0.27 -0.10 1.46 6.46 -0.48 -1.34 115.31 122.64 1odb h LEU 35 Ca 0.28 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1odb h LEU 35 Cb -0.03 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1odb h LEU 35 CO -0.05 0.31 0.01 -0.07 -0.62 0.00 0.00 178.44 178.02 1odb h LEU 36 N 0.21 -0.01 -0.48 2.25 3.38 -0.43 -0.22 115.31 120.01 1odb h LEU 36 Ca 0.07 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1odb h LEU 36 Cb 0.11 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1odb h LEU 36 CO -0.01 0.01 -0.55 0.00 0.09 0.00 0.00 178.44 177.98 1odb h THR 37 N 0.05 1.31 0.00 0.22 1.03 -1.22 -1.78 112.91 112.53 1odb h THR 37 Ca 0.04 -1.79 -0.24 0.00 -0.01 0.00 0.00 66.41 64.41 1odb h THR 37 Cb 0.04 1.75 -0.04 0.00 -1.07 0.00 0.00 68.15 68.83 1odb h THR 37 CO -0.06 0.56 -1.27 0.50 -0.01 0.00 0.00 175.52 175.24 1odb h LYS 38 N 0.47 0.01 0.00 0.00 1.63 -1.25 -3.39 116.57 114.04 1odb h LYS 38 Ca 0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1odb h LYS 38 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1odb h LYS 38 CO 0.11 0.82 -0.88 0.39 -3.45 0.00 0.00 179.45 176.43 1odb n GLU 39 N -3.24 2.13 -0.57 1.90 -0.58 -0.10 -4.78 120.64 115.41 1odb n GLU 39 Ca -0.07 -0.03 0.02 0.00 -0.42 0.00 0.00 57.16 56.67 1odb n GLU 39 Cb 0.98 -1.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.89 1odb n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1odb n LEU 40 N -1.48 0.63 0.26 -4.62 4.32 -0.67 -4.88 117.00 110.55 1odb n LEU 40 Ca -0.00 -1.59 0.14 0.00 -0.02 0.00 0.00 56.01 54.54 1odb n LEU 40 Cb 0.13 -0.09 0.61 0.00 -1.62 0.00 0.00 43.42 42.45 1odb n LEU 40 CO 0.13 0.40 0.92 0.00 -1.22 0.00 0.00 177.39 177.62 1odb h ALA 41 N 0.17 1.03 -0.69 -1.18 0.00 -1.74 -1.70 119.26 115.15 1odb h ALA 41 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1odb h ALA 41 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1odb h ALA 41 CO 0.01 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1odb n ASN 42 N -3.26 3.93 0.00 0.00 3.02 -1.26 -4.57 115.26 113.12 1odb n ASN 42 Ca 0.00 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 1odb n ASN 42 Cb 0.34 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1odb n ASN 42 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1odb n THR 43 N 1.48 0.00 -5.07 3.41 -1.04 -0.68 -5.01 114.28 107.37 1odb n THR 43 Ca 0.24 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.93 1odb n THR 43 Cb 0.64 -0.94 -0.17 0.00 -1.82 0.00 0.00 70.33 68.04 1odb n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1odb s ILE 44 N -1.98 2.07 0.77 12.58 1.01 -0.95 -4.90 121.20 129.80 1odb s ILE 44 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1odb s ILE 44 Cb 0.00 -1.79 0.05 0.00 0.01 0.00 0.00 42.46 40.73 1odb s ILE 44 CO 0.00 0.56 1.08 -1.59 0.00 0.00 0.00 174.94 174.99 1odb s LYS 45 N 0.47 2.33 -1.81 2.79 -2.85 -1.26 -4.15 119.74 115.26 1odb s LYS 45 Ca -0.16 0.83 -0.21 0.00 -1.00 0.00 0.00 55.97 55.43 1odb s LYS 45 Cb -0.17 -1.93 0.20 0.00 -2.06 0.00 0.00 37.83 33.86 1odb s LYS 45 CO 0.06 -1.50 0.62 0.09 0.10 0.00 0.00 175.35 174.72 1odb n ASN 46 N -3.38 -2.09 0.00 0.03 4.13 -1.26 -4.85 115.26 107.84 1odb n ASN 46 Ca 0.07 -1.18 0.09 0.00 1.68 0.00 0.00 54.58 55.25 1odb n ASN 46 Cb 0.55 -1.98 0.46 0.00 -1.54 0.00 0.00 39.78 37.27 1odb n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1odb n ILE 47 N -4.20 0.50 0.95 2.41 0.13 -1.26 -1.38 119.36 116.52 1odb n ILE 47 Ca 0.07 0.13 0.12 0.00 -1.10 0.00 0.00 62.75 61.97 1odb n ILE 47 Cb 0.48 -0.81 0.26 0.00 -0.84 0.00 0.00 39.64 38.73 1odb n ILE 47 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1odb n LYS 48 N -1.34 0.04 -2.80 9.51 5.02 -1.26 -4.74 118.16 122.59 1odb n LYS 48 Ca 0.08 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 1odb n LYS 48 Cb 0.17 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1odb n LYS 48 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1odb s ASP 49 N -3.14 7.04 0.22 4.39 -1.08 -0.48 -4.96 116.67 118.65 1odb s ASP 49 Ca 0.11 1.29 -0.08 0.00 -0.52 0.00 0.00 52.55 53.34 1odb s ASP 49 Cb 0.17 -2.49 0.30 0.00 -1.46 0.00 0.00 42.92 39.43 1odb s ASP 49 CO 0.69 -0.48 1.79 0.50 0.52 0.00 0.00 175.17 178.19 1odb h LYS 50 N 7.33 0.60 -0.47 4.34 3.11 -1.89 -1.26 116.57 128.33 1odb h LYS 50 Ca -0.27 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.55 1odb h LYS 50 Cb 1.12 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 32.19 1odb h LYS 50 CO 0.87 0.40 0.31 0.00 -2.81 0.00 0.00 179.45 178.22 1odb h ALA 51 N 1.40 1.72 -0.08 5.00 0.00 -1.95 -1.37 119.26 123.99 1odb h ALA 51 Ca 0.33 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1odb h ALA 51 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1odb h ALA 51 CO -0.24 0.24 -0.79 0.28 0.00 0.00 0.00 179.25 178.74 1odb h VAL 52 N 0.59 1.36 -0.31 0.00 2.07 -1.53 -1.56 116.25 116.87 1odb h VAL 52 Ca 0.18 -2.17 -0.16 0.00 0.82 0.00 0.00 66.70 65.37 1odb h VAL 52 Cb 0.01 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1odb h VAL 52 CO -0.04 0.66 -0.45 0.40 0.02 0.00 0.00 177.57 178.16 1odb h ILE 53 N 0.32 1.28 -0.18 4.57 2.04 -1.21 -2.09 117.51 122.24 1odb h ILE 53 Ca -0.05 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1odb h ILE 53 Cb 1.39 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1odb h ILE 53 CO 0.14 0.53 0.11 0.44 0.00 0.00 0.00 178.15 179.38 1odb h ASP 54 N 0.64 0.21 -0.30 1.72 3.32 -1.17 -1.32 116.42 119.53 1odb h ASP 54 Ca 0.04 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1odb h ASP 54 Cb 1.03 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1odb h ASP 54 CO 0.10 0.18 0.11 -0.33 -1.72 0.00 0.00 179.24 177.58 1odb h GLU 55 N 0.23 0.45 -0.15 3.56 3.07 -1.24 -1.18 114.58 119.32 1odb h GLU 55 Ca 0.07 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1odb h GLU 55 Cb 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1odb h GLU 55 CO -0.01 0.48 0.09 0.82 -1.40 0.00 0.00 179.01 178.98 1odb h ILE 56 N 0.33 1.02 -0.26 3.13 2.04 -1.37 -1.81 117.51 120.59 1odb h ILE 56 Ca 0.10 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1odb h ILE 56 Cb 0.20 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1odb h ILE 56 CO -0.01 0.03 0.11 0.15 0.00 0.00 0.00 178.15 178.44 1odb h PHE 57 N 0.19 0.21 -0.81 1.37 3.04 -1.07 -0.98 116.94 118.88 1odb h PHE 57 Ca 0.06 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 1odb h PHE 57 Cb -0.01 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.41 1odb h PHE 57 CO -0.08 0.11 0.37 1.96 -2.02 0.00 0.00 178.31 178.66 1odb h GLN 58 N 0.25 1.18 -0.73 1.11 4.20 -1.14 -0.48 115.11 119.50 1odb h GLN 58 Ca 0.11 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1odb h GLN 58 Cb 0.05 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1odb h GLN 58 CO -0.09 0.92 0.24 0.78 -0.67 0.00 0.00 178.83 180.01 1odb h GLY 59 N 1.16 1.20 1.57 3.46 0.00 -1.06 -3.14 103.07 106.27 1odb h GLY 59 Ca 0.28 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1odb h GLY 59 CO -0.03 0.65 -0.55 1.41 0.00 0.00 0.00 176.54 178.01 1odb h LEU 60 N 1.07 0.50 -6.92 3.11 3.38 -0.68 -3.37 115.31 112.40 1odb h LEU 60 Ca 0.24 -0.27 -0.74 0.00 0.09 0.00 0.00 57.88 57.20 1odb h LEU 60 Cb 0.28 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 40.75 1odb h LEU 60 CO -0.01 0.95 1.96 -0.67 0.09 0.00 0.00 178.44 180.76 1odb n ASP 61 N -3.94 4.98 0.20 -0.43 2.03 -0.23 -4.74 116.55 114.42 1odb n ASP 61 Ca -0.03 -3.02 0.08 0.00 0.52 0.00 0.00 54.79 52.34 1odb n ASP 61 Cb 0.60 -1.55 0.38 0.00 -0.72 0.00 0.00 41.12 39.82 1odb n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1odb h ALA 62 N 6.37 0.99 -0.42 -1.67 0.00 -1.78 -2.11 119.26 120.63 1odb h ALA 62 Ca 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1odb h ALA 62 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1odb h ALA 62 CO 1.52 0.37 0.00 0.27 0.00 0.00 0.00 179.25 181.41 1odb n ASN 63 N -3.42 3.27 -1.58 0.00 0.23 -1.26 -4.97 115.26 107.53 1odb n ASN 63 Ca 0.00 -1.96 -0.16 0.00 -0.53 0.00 0.00 54.58 51.93 1odb n ASN 63 Cb 0.48 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 37.88 1odb n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1odb n GLN 64 N 1.35 -1.20 -0.24 -3.83 1.13 -0.79 -4.87 117.38 108.93 1odb n GLN 64 Ca 0.20 0.87 0.09 0.00 -1.94 0.00 0.00 57.00 56.22 1odb n GLN 64 Cb 0.57 -5.17 0.24 0.00 0.11 0.00 0.00 30.24 25.99 1odb n GLN 64 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1odb n ASP 65 N -0.84 2.72 -1.73 1.08 5.75 -1.26 -4.95 116.55 117.32 1odb n ASP 65 Ca -0.18 -1.97 -0.16 0.00 -0.01 0.00 0.00 54.79 52.47 1odb n ASP 65 Cb 0.60 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 40.35 1odb n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1odb n GLU 66 N 0.99 -1.28 -4.05 0.11 1.02 -1.26 -5.00 120.64 111.18 1odb n GLU 66 Ca 0.17 0.87 -0.14 0.00 -0.02 0.00 0.00 57.16 58.05 1odb n GLU 66 Cb 0.44 -5.23 -0.14 0.00 -0.02 0.00 0.00 31.44 26.49 1odb n GLU 66 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1odb s GLN 67 N -4.48 0.30 -0.39 3.49 -1.52 -1.26 -4.55 119.66 111.25 1odb s GLN 67 Ca 0.00 -0.23 -0.12 0.00 -1.95 0.00 0.00 55.36 53.06 1odb s GLN 67 Cb 0.00 -0.23 0.03 0.00 -0.22 0.00 0.00 33.01 32.59 1odb s GLN 67 CO 0.00 0.06 0.24 0.08 -0.25 0.00 0.00 175.29 175.42 1odb s VAL 68 N -0.33 4.80 0.34 1.09 1.01 0.72 -4.75 120.40 123.28 1odb s VAL 68 Ca -0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1odb s VAL 68 Cb -0.03 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.74 1odb s VAL 68 CO -0.00 -0.28 0.47 -0.90 0.00 0.00 0.00 175.10 174.39 1odb n ASP 69 N 5.05 0.20 -0.10 3.32 5.68 -1.26 -0.74 116.55 128.70 1odb n ASP 69 Ca -0.11 -1.27 -0.14 0.00 -0.50 0.00 0.00 54.79 52.77 1odb n ASP 69 Cb 0.46 -0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 1odb n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1odb h PHE 70 N -1.02 1.12 -0.57 2.11 3.57 -1.99 0.23 116.94 120.39 1odb h PHE 70 Ca -0.15 -0.38 -0.01 0.00 3.53 0.00 0.00 57.97 60.96 1odb h PHE 70 Cb 0.46 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1odb h PHE 70 CO 0.00 1.21 0.31 0.37 -2.23 0.00 0.00 178.31 177.97 1odb h GLN 71 N 0.71 0.80 -0.35 1.11 5.75 -1.96 -1.40 115.11 119.76 1odb h GLN 71 Ca 0.03 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 1odb h GLN 71 Cb 1.09 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 1odb h GLN 71 CO 0.11 0.61 -0.13 0.93 -2.65 0.00 0.00 178.83 177.71 1odb h GLU 72 N 0.77 0.63 -0.26 1.69 5.08 -1.80 -2.70 114.58 117.99 1odb h GLU 72 Ca 0.20 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1odb h GLU 72 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1odb h GLU 72 CO -0.03 0.74 0.05 0.35 -1.00 0.00 0.00 179.01 179.12 1odb h PHE 73 N 0.57 0.36 -0.12 4.33 3.57 -0.25 -1.58 116.94 123.82 1odb h PHE 73 Ca 0.10 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1odb h PHE 73 Cb 0.56 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1odb h PHE 73 CO 0.02 0.33 0.08 0.82 -2.23 0.00 0.00 178.31 177.34 1odb h ILE 74 N 0.36 1.01 -0.35 1.41 2.04 -0.93 -0.38 117.51 120.66 1odb h ILE 74 Ca 0.09 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1odb h ILE 74 Cb 0.16 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1odb h ILE 74 CO -0.00 0.02 0.06 0.28 0.00 0.00 0.00 178.15 178.51 1odb h SER 75 N 0.12 0.48 -0.45 1.72 0.02 -1.35 -1.26 113.55 112.84 1odb h SER 75 Ca 0.05 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1odb h SER 75 Cb 0.05 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1odb h SER 75 CO -0.01 0.51 0.01 0.25 -1.14 0.00 0.00 176.83 176.45 1odb h LEU 76 N 0.51 0.77 -1.22 5.07 5.85 -1.13 -2.16 115.31 123.00 1odb h LEU 76 Ca 0.12 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1odb h LEU 76 Cb 0.24 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1odb h LEU 76 CO 0.00 0.88 -0.21 -0.37 -0.34 0.00 0.00 178.44 178.40 1odb h VAL 77 N 0.63 1.22 -0.42 1.05 -1.51 -0.95 0.08 116.25 116.36 1odb h VAL 77 Ca 0.13 -1.03 -0.02 0.00 -1.23 0.00 0.00 66.70 64.55 1odb h VAL 77 Cb 0.48 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 1odb h VAL 77 CO 0.02 0.32 0.20 0.00 -1.23 0.00 0.00 177.57 176.88 1odb h ALA 78 N 1.53 0.55 -0.26 5.19 0.00 -1.18 0.13 119.26 125.21 1odb h ALA 78 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1odb h ALA 78 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1odb h ALA 78 CO 0.03 0.11 0.15 0.82 0.00 0.00 0.00 179.25 180.36 1odb h ILE 79 N 0.54 1.11 -0.79 0.00 2.04 -0.88 -1.92 117.51 117.62 1odb h ILE 79 Ca 0.14 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1odb h ILE 79 Cb 0.12 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1odb h ILE 79 CO -0.02 0.11 0.30 0.00 0.00 0.00 0.00 178.15 178.55 1odb h ALA 80 N 1.03 1.05 -0.29 1.87 0.00 -0.68 -2.03 119.26 120.21 1odb h ALA 80 Ca 0.09 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1odb h ALA 80 Cb 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1odb h ALA 80 CO -0.02 0.67 -0.27 -0.07 0.00 0.00 0.00 179.25 179.56 1odb h LEU 81 N 1.15 0.74 -0.94 0.00 3.38 -0.65 -0.24 115.31 118.75 1odb h LEU 81 Ca 0.26 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1odb h LEU 81 Cb 0.23 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1odb h LEU 81 CO -0.02 1.05 0.60 0.50 0.09 0.00 0.00 178.44 180.66 1odb h LYS 82 N 0.43 1.04 -0.37 1.13 3.64 -1.22 0.11 116.57 121.33 1odb h LYS 82 Ca 0.05 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1odb h LYS 82 Cb 0.84 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1odb h LYS 82 CO 0.07 0.69 -0.19 0.00 -2.27 0.00 0.00 179.45 177.74 1odb h ALA 83 N 1.44 0.52 -0.30 5.00 0.00 -0.92 -1.42 119.26 123.58 1odb h ALA 83 Ca 0.42 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1odb h ALA 83 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1odb h ALA 83 CO -0.18 0.46 -0.25 0.00 0.00 0.00 0.00 179.25 179.28 1odb h ALA 84 N 0.79 1.00 -0.21 0.00 0.00 -0.77 -1.07 119.26 119.00 1odb h ALA 84 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1odb h ALA 84 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1odb h ALA 84 CO 0.06 0.59 0.04 1.25 0.00 0.00 0.00 179.25 181.19 1odb h HIS 85 N 0.51 0.37 -0.83 0.00 6.17 -0.67 -2.58 115.15 118.13 1odb h HIS 85 Ca 0.07 -0.05 0.05 0.00 0.71 0.00 0.00 60.37 61.16 1odb h HIS 85 Cb 0.71 -0.10 -0.06 0.00 2.52 0.00 0.00 27.41 30.48 1odb h HIS 85 CO 0.03 0.48 0.52 -0.92 0.71 0.00 0.00 177.93 178.74 1odb h TYR 86 N 0.16 0.96 -0.11 5.26 3.20 -1.13 -2.70 116.97 122.61 1odb h TYR 86 Ca 0.07 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1odb h TYR 86 Cb 0.30 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1odb h TYR 86 CO 0.02 0.51 -0.21 1.25 -1.64 0.00 0.00 178.16 178.08 1odb h HIS 87 N 0.96 0.20 -0.01 -3.82 2.76 -0.97 -0.69 115.15 113.60 1odb h HIS 87 Ca 0.35 -0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.34 1odb h HIS 87 Cb 0.12 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1odb h HIS 87 CO -0.03 0.40 -0.70 1.79 -1.30 0.00 0.00 177.93 178.08 1odb h THR 88 N 0.18 1.49 0.00 6.26 1.35 -1.13 -3.14 112.91 117.92 1odb h THR 88 Ca 0.03 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1odb h THR 88 Cb 0.48 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1odb h THR 88 CO 0.03 0.68 -0.82 1.41 -0.25 0.00 0.00 175.52 176.57 1odb n HIS 89 N -3.72 0.38 -0.88 4.73 -0.00 -0.99 -5.13 115.22 109.60 1odb n HIS 89 Ca -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1odb n HIS 89 Cb 0.68 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 1odb n HIS 89 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97