#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 2.53 0.20 2.46 -4.23 -1.26 -4.92 115.64 110.42 1odb s THR 1 Ca 0.00 -0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.20 1odb s THR 1 Cb 0.00 -3.09 0.13 0.00 1.34 0.00 0.00 72.50 70.89 1odb s THR 1 CO 0.00 -0.09 1.82 0.07 -0.54 0.00 0.00 174.62 175.87 1odb h LYS 2 N -0.53 1.00 -0.17 3.99 2.10 -2.06 -1.56 116.57 119.33 1odb h LYS 2 Ca -0.45 -0.11 0.01 0.00 -2.00 0.00 0.00 60.65 58.10 1odb h LYS 2 Cb 1.30 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1odb h LYS 2 CO 0.61 0.74 0.10 1.25 -2.00 0.00 0.00 179.45 180.15 1odb h LEU 3 N 0.99 0.16 -1.14 7.07 6.46 -2.00 -2.18 115.31 124.67 1odb h LEU 3 Ca 0.25 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 1odb h LEU 3 Cb 0.03 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1odb h LEU 3 CO -0.04 0.12 0.34 -0.33 -0.62 0.00 0.00 178.44 177.91 1odb h GLU 4 N 0.21 0.94 -0.54 1.25 5.08 -1.90 -1.71 114.58 117.91 1odb h GLU 4 Ca 0.07 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1odb h GLU 4 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1odb h GLU 4 CO -0.03 0.71 0.21 0.93 -1.00 0.00 0.00 179.01 179.83 1odb h GLU 5 N 0.94 0.82 -0.86 2.33 5.08 -1.00 -0.89 114.58 120.99 1odb h GLU 5 Ca 0.24 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1odb h GLU 5 Cb 0.06 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1odb h GLU 5 CO -0.03 0.71 0.55 0.45 -1.00 0.00 0.00 179.01 179.69 1odb h HIS 6 N 0.74 1.11 -0.25 4.33 3.86 -0.87 0.21 115.15 124.29 1odb h HIS 6 Ca 0.18 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1odb h HIS 6 Cb 0.21 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1odb h HIS 6 CO 0.01 0.72 -0.02 -0.07 0.86 0.00 0.00 177.93 179.43 1odb h LEU 7 N 1.18 0.45 -0.87 2.43 3.38 -0.97 -1.79 115.31 119.12 1odb h LEU 7 Ca 0.31 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1odb h LEU 7 Cb -0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1odb h LEU 7 CO -0.06 0.67 0.53 -0.08 0.09 0.00 0.00 178.44 179.60 1odb h GLU 8 N 0.21 1.17 -0.97 1.13 4.81 -0.96 -2.51 114.58 117.47 1odb h GLU 8 Ca 0.07 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1odb h GLU 8 Cb 0.46 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1odb h GLU 8 CO 0.02 0.81 0.63 0.78 -0.73 0.00 0.00 179.01 180.52 1odb h GLY 9 N 1.19 1.42 0.98 1.92 0.00 -0.36 0.36 103.07 108.58 1odb h GLY 9 Ca 0.31 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1odb h GLY 9 CO -0.06 0.38 0.23 -2.22 0.00 0.00 0.00 176.54 174.87 1odb h ILE 10 N 1.18 1.22 -0.45 2.60 2.04 -0.91 -1.39 117.51 121.80 1odb h ILE 10 Ca 0.40 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1odb h ILE 10 Cb 0.07 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1odb h ILE 10 CO -0.13 0.26 0.26 0.58 0.00 0.00 0.00 178.15 179.12 1odb h VAL 11 N 0.75 1.15 -0.55 1.67 2.07 -1.07 -1.01 116.25 119.25 1odb h VAL 11 Ca 0.19 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1odb h VAL 11 Cb 0.18 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1odb h VAL 11 CO -0.02 0.15 0.28 0.78 0.02 0.00 0.00 177.57 178.78 1odb h ASN 12 N 0.59 0.41 -0.11 0.57 2.35 -0.68 -1.21 115.58 117.49 1odb h ASN 12 Ca 0.16 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 1odb h ASN 12 Cb 0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1odb h ASN 12 CO -0.03 0.27 -0.43 0.40 -1.65 0.00 0.00 177.43 175.99 1odb h ILE 13 N 0.54 1.30 -0.60 2.81 2.04 -0.99 -1.90 117.51 120.71 1odb h ILE 13 Ca 0.25 -1.62 0.08 0.00 1.00 0.00 0.00 64.86 64.57 1odb h ILE 13 Cb 0.16 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1odb h ILE 13 CO -0.17 0.52 0.25 0.15 0.00 0.00 0.00 178.15 178.90 1odb h PHE 14 N 0.53 0.45 -0.21 1.37 3.57 -0.68 -2.92 116.94 119.05 1odb h PHE 14 Ca 0.04 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1odb h PHE 14 Cb 0.97 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1odb h PHE 14 CO 0.04 0.15 -0.37 0.45 -2.23 0.00 0.00 178.31 176.35 1odb h HIS 15 N 0.46 0.54 0.00 0.41 3.86 -0.83 -0.00 115.15 119.59 1odb h HIS 15 Ca 0.29 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1odb h HIS 15 Cb 0.31 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1odb h HIS 15 CO -0.14 0.77 -0.05 -0.56 0.86 0.00 0.00 177.93 178.81 1odb h GLN 16 N 0.39 0.00 0.01 2.45 3.07 -1.16 -2.51 115.11 117.35 1odb h GLN 16 Ca 0.04 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.41 1odb h GLN 16 Cb 0.83 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.33 1odb h GLN 16 CO 0.07 0.05 -2.31 0.66 0.09 0.00 0.00 178.83 177.38 1odb n TYR 17 N -3.39 0.18 0.12 0.06 4.01 -1.00 -4.58 117.16 112.57 1odb n TYR 17 Ca -0.02 0.06 -0.01 0.00 -0.16 0.00 0.00 57.90 57.76 1odb n TYR 17 Cb 0.18 -1.03 0.22 0.00 -0.31 0.00 0.00 39.34 38.40 1odb n TYR 17 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1odb h SER 18 N 0.00 0.14 0.60 7.72 4.64 -0.77 -3.05 113.55 122.82 1odb h SER 18 Ca -0.52 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1odb h SER 18 Cb 2.12 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 1odb h SER 18 CO 0.01 0.61 0.00 1.33 -0.87 0.00 0.00 176.83 177.91 1odb n VAL 19 N -3.95 0.91 -0.08 0.95 0.24 -0.94 -4.10 118.33 111.36 1odb n VAL 19 Ca -0.02 0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 62.39 1odb n VAL 19 Cb 0.53 -1.02 -0.05 0.00 -1.47 0.00 0.00 33.84 31.82 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 0.00 0.45 -3.60 7.34 3.08 -1.80 -3.45 114.38 116.39 1odb h ARG 20 Ca 0.00 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 1odb h ARG 20 Cb 0.30 -0.02 -0.20 0.00 0.08 0.00 0.00 29.97 30.13 1odb h ARG 20 CO 0.00 0.72 -0.51 0.15 -1.07 0.00 0.00 179.97 179.26 1odb s LYS 21 N -4.63 0.50 4.45 0.04 1.02 -1.26 -5.10 119.74 114.76 1odb s LYS 21 Ca -0.14 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1odb s LYS 21 Cb 0.07 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1odb s LYS 21 CO 0.76 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 1odb n GLY 22 N 1.29 2.58 3.76 -3.33 0.00 -1.26 -4.55 105.19 103.68 1odb n GLY 22 Ca -0.22 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1odb n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1odb s HIS 23 N 0.00 2.82 -0.22 1.61 5.65 -1.26 -4.88 115.29 119.01 1odb s HIS 23 Ca 0.00 1.01 0.29 0.00 0.25 0.00 0.00 55.06 56.60 1odb s HIS 23 Cb 0.00 -3.95 1.02 0.00 -1.18 0.00 0.00 32.58 28.47 1odb s HIS 23 CO 0.00 -3.00 1.83 0.27 -0.65 0.00 0.00 174.74 173.18 1odb h PHE 24 N 4.31 0.00 -0.21 3.88 -5.15 -1.80 -3.25 116.94 114.73 1odb h PHE 24 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 1odb h PHE 24 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 1odb h PHE 24 CO 0.57 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 173.41 1odb n ASP 25 N -2.83 2.68 -4.17 -0.68 2.03 -1.26 -2.22 116.55 110.11 1odb n ASP 25 Ca 0.02 -2.15 -0.11 0.00 0.52 0.00 0.00 54.79 53.06 1odb n ASP 25 Cb 0.35 -0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.45 1odb n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1odb s THR 26 N -1.27 0.76 -0.27 5.18 -4.23 -1.23 -4.23 115.64 110.35 1odb s THR 26 Ca 0.18 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1odb s THR 26 Cb 0.11 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 1odb s THR 26 CO 0.09 -0.82 0.14 -0.76 -0.54 0.00 0.00 174.62 172.74 1odb s LEU 27 N -2.95 3.78 1.09 4.79 1.43 -0.03 -4.64 118.68 122.15 1odb s LEU 27 Ca 0.11 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 1odb s LEU 27 Cb 0.04 -2.03 0.24 0.00 0.03 0.00 0.00 46.19 44.46 1odb s LEU 27 CO -0.04 -0.05 1.06 -0.94 0.23 0.00 0.00 176.35 176.61 1odb s SER 28 N 1.69 1.73 0.34 2.29 1.04 -1.26 -0.92 113.70 118.62 1odb s SER 28 Ca 0.07 1.38 0.04 0.00 0.48 0.00 0.00 55.95 57.92 1odb s SER 28 Cb -0.16 -2.11 0.62 0.00 0.10 0.00 0.00 66.02 64.48 1odb s SER 28 CO 0.08 -3.71 1.90 0.07 0.98 0.00 0.00 173.24 172.55 1odb h LYS 29 N -2.29 0.57 -0.52 4.02 -0.00 -1.99 -0.13 116.57 116.23 1odb h LYS 29 Ca -0.58 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.65 59.95 1odb h LYS 29 Cb 1.33 -0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 33.44 1odb h LYS 29 CO 0.53 0.54 0.27 0.78 -0.00 0.00 0.00 179.45 181.58 1odb h GLY 30 N 0.81 0.79 1.39 0.07 0.00 -1.97 0.13 103.07 104.28 1odb h GLY 30 Ca 0.13 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 1odb h GLY 30 CO 0.00 0.35 -0.55 0.83 0.00 0.00 0.00 176.54 177.17 1odb h GLU 31 N 0.69 0.64 -0.49 4.80 5.08 -1.78 -2.57 114.58 120.96 1odb h GLU 31 Ca 0.18 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1odb h GLU 31 Cb 0.08 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1odb h GLU 31 CO -0.03 1.02 -0.14 1.25 -1.00 0.00 0.00 179.01 180.12 1odb h LEU 32 N 0.49 0.92 0.07 1.33 5.85 -0.95 -1.56 115.31 121.46 1odb h LEU 32 Ca 0.01 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1odb h LEU 32 Cb 1.11 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1odb h LEU 32 CO 0.11 1.06 -0.08 0.50 -0.34 0.00 0.00 178.44 179.69 1odb h LYS 33 N 0.82 -0.17 -0.44 1.25 3.64 -0.81 0.27 116.57 121.13 1odb h LYS 33 Ca 0.13 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1odb h LYS 33 Cb 0.67 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 1odb h LYS 33 CO 0.05 -0.11 0.27 1.96 -2.27 0.00 0.00 179.45 179.35 1odb h GLN 34 N -0.17 0.53 0.09 1.90 4.20 -1.30 -0.99 115.11 119.37 1odb h GLN 34 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1odb h GLN 34 Cb 0.17 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1odb h GLN 34 CO -0.03 0.35 -0.08 1.25 -0.67 0.00 0.00 178.83 179.65 1odb h LEU 35 N 0.54 -0.22 -0.78 1.46 6.46 -1.07 -1.40 115.31 120.30 1odb h LEU 35 Ca 0.17 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1odb h LEU 35 Cb -0.01 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1odb h LEU 35 CO -0.07 -0.13 0.44 -0.07 -0.62 0.00 0.00 178.44 177.99 1odb h LEU 36 N -0.19 0.96 0.07 2.25 3.38 -0.58 -0.01 115.31 121.19 1odb h LEU 36 Ca 0.00 -0.09 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 1odb h LEU 36 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1odb h LEU 36 CO -0.02 0.77 -1.15 0.71 0.09 0.00 0.00 178.44 178.84 1odb h THR 37 N 1.07 1.59 0.02 0.22 1.35 -1.07 -2.42 112.91 113.67 1odb h THR 37 Ca 0.28 -3.22 -0.14 0.00 -0.55 0.00 0.00 66.41 62.78 1odb h THR 37 Cb 0.01 2.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 1odb h THR 37 CO -0.05 0.93 -0.74 0.50 -0.25 0.00 0.00 175.52 175.91 1odb h LYS 38 N 0.04 0.04 0.00 4.72 1.63 -1.23 -3.35 116.57 118.42 1odb h LYS 38 Ca -0.08 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1odb h LYS 38 Cb 1.89 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.53 1odb h LYS 38 CO 0.17 1.03 -0.88 0.93 -3.45 0.00 0.00 179.45 177.25 1odb h GLU 39 N -0.90 0.00 0.00 1.90 4.39 -1.13 -3.36 114.58 115.48 1odb h GLU 39 Ca -0.19 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 1odb h GLU 39 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1odb h GLU 39 CO -0.08 0.06 -0.15 1.28 -1.16 0.00 0.00 179.01 178.96 1odb n LEU 40 N -2.80 2.25 0.33 1.33 4.32 -0.91 -4.83 117.00 116.69 1odb n LEU 40 Ca -0.01 -3.10 0.21 0.00 -0.02 0.00 0.00 56.01 53.10 1odb n LEU 40 Cb 0.59 -0.42 1.16 0.00 -1.62 0.00 0.00 43.42 43.14 1odb n LEU 40 CO 0.39 0.82 1.18 0.00 -1.22 0.00 0.00 177.39 178.56 1odb h ALA 41 N 0.22 1.10 -0.18 -1.18 0.00 -1.69 -1.80 119.26 115.73 1odb h ALA 41 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1odb h ALA 41 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1odb h ALA 41 CO 0.00 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1odb n ASN 42 N -3.19 2.38 -0.08 0.00 3.02 -1.26 -4.72 115.26 111.40 1odb n ASN 42 Ca -0.03 -1.75 -0.10 0.00 -0.03 0.00 0.00 54.58 52.67 1odb n ASN 42 Cb 0.09 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.44 0.98 -5.07 3.41 -1.04 -0.68 -4.99 114.28 107.33 1odb n THR 43 Ca 0.08 -0.44 -0.32 0.00 -2.04 0.00 0.00 64.05 61.33 1odb n THR 43 Cb 0.33 -0.98 -0.15 0.00 -1.82 0.00 0.00 70.33 67.71 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 -2.34 2.48 0.18 12.58 1.01 -1.21 -4.86 121.20 129.03 1odb s ILE 44 Ca -0.19 -0.90 -0.32 0.00 0.00 0.00 0.00 60.65 59.25 1odb s ILE 44 Cb 0.05 -1.96 -0.12 0.00 0.01 0.00 0.00 42.46 40.45 1odb s ILE 44 CO 0.45 0.56 1.76 2.29 0.00 0.00 0.00 174.94 180.00 1odb n LYS 45 N 3.07 2.77 -3.78 2.79 2.85 -1.26 -3.81 118.16 120.79 1odb n LYS 45 Ca -0.18 1.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.85 1odb n LYS 45 Cb 0.52 -2.87 0.02 0.00 -0.65 0.00 0.00 35.03 32.05 1odb n LYS 45 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1odb n ASN 46 N 4.57 -1.53 -0.19 -5.58 6.94 -1.26 -4.92 115.26 113.29 1odb n ASN 46 Ca 0.17 -0.91 0.12 0.00 -0.02 0.00 0.00 54.58 53.94 1odb n ASN 46 Cb 0.36 -3.63 0.62 0.00 -2.36 0.00 0.00 39.78 34.76 1odb n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1odb n ILE 47 N -4.28 0.04 0.59 1.53 3.06 -1.25 -3.22 119.36 115.83 1odb n ILE 47 Ca -0.27 -0.11 0.11 0.00 -2.50 0.00 0.00 62.75 59.98 1odb n ILE 47 Cb 0.67 -0.08 0.05 0.00 0.54 0.00 0.00 39.64 40.81 1odb n ILE 47 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1odb n LYS 48 N -0.46 0.27 -2.10 9.51 4.81 -1.26 -4.68 118.16 124.26 1odb n LYS 48 Ca 0.18 0.01 -0.40 0.00 -0.87 0.00 0.00 58.31 57.22 1odb n LYS 48 Cb 0.18 -1.60 -0.02 0.00 0.02 0.00 0.00 35.03 33.61 1odb n LYS 48 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1odb s ASP 49 N -3.92 6.69 0.15 3.14 3.68 -1.20 -4.95 116.67 120.27 1odb s ASP 49 Ca 0.04 2.68 -0.16 0.00 2.13 0.00 0.00 52.55 57.24 1odb s ASP 49 Cb 0.14 -2.65 0.01 0.00 -1.45 0.00 0.00 42.92 38.97 1odb s ASP 49 CO 0.79 -0.59 1.79 0.11 0.13 0.00 0.00 175.17 177.40 1odb h LYS 50 N 3.25 0.53 -0.79 4.34 6.56 -1.92 -2.87 116.57 125.68 1odb h LYS 50 Ca -0.49 -0.04 0.13 0.00 -1.06 0.00 0.00 60.65 59.19 1odb h LYS 50 Cb 1.23 -0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 32.72 1odb h LYS 50 CO 0.65 0.38 0.52 0.00 -2.06 0.00 0.00 179.45 178.94 1odb h ALA 51 N 1.12 1.97 -0.13 3.86 0.00 -1.96 -2.53 119.26 121.58 1odb h ALA 51 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1odb h ALA 51 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1odb h ALA 51 CO -0.03 -0.17 -0.72 0.28 0.00 0.00 0.00 179.25 178.61 1odb h VAL 52 N 0.55 1.33 -0.09 0.00 2.07 -1.80 -2.79 116.25 115.51 1odb h VAL 52 Ca 0.39 -2.01 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1odb h VAL 52 Cb 0.72 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1odb h VAL 52 CO -0.14 0.62 -0.02 0.40 0.02 0.00 0.00 177.57 178.45 1odb h ILE 53 N 0.42 1.29 -0.97 4.57 2.04 -1.41 -2.99 117.51 120.46 1odb h ILE 53 Ca -0.03 -0.93 0.14 0.00 1.00 0.00 0.00 64.86 65.03 1odb h ILE 53 Cb 1.32 1.74 -0.09 0.00 -0.74 0.00 0.00 36.82 39.05 1odb h ILE 53 CO 0.14 0.26 0.59 0.44 0.00 0.00 0.00 178.15 179.58 1odb h ASP 54 N -0.17 0.83 -0.13 1.72 5.19 -1.50 -2.14 116.42 120.23 1odb h ASP 54 Ca 0.02 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1odb h ASP 54 Cb 0.42 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1odb h ASP 54 CO 0.01 0.40 0.05 -0.33 -3.12 0.00 0.00 179.24 176.25 1odb h GLU 55 N 0.88 0.19 -0.58 3.56 4.39 -1.47 -2.62 114.58 118.94 1odb h GLU 55 Ca 0.50 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 60.08 1odb h GLU 55 Cb 0.59 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1odb h GLU 55 CO -0.30 0.30 0.02 0.82 -1.16 0.00 0.00 179.01 178.69 1odb h ILE 56 N 0.04 1.26 0.07 3.13 1.08 -1.31 -2.30 117.51 119.48 1odb h ILE 56 Ca 0.04 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.44 1odb h ILE 56 Cb 0.19 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1odb h ILE 56 CO -0.00 0.39 -0.15 0.15 -0.69 0.00 0.00 178.15 177.85 1odb h PHE 57 N 0.91 -0.39 -0.52 1.37 3.04 -1.40 -2.26 116.94 117.69 1odb h PHE 57 Ca 0.17 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 1odb h PHE 57 Cb 0.50 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.15 1odb h PHE 57 CO 0.03 -0.23 0.23 1.96 -2.02 0.00 0.00 178.31 178.28 1odb h GLN 58 N -0.29 0.73 -0.00 1.11 1.08 -1.24 -0.85 115.11 115.64 1odb h GLN 58 Ca 0.03 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 56.98 1odb h GLN 58 Cb 0.32 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1odb h GLN 58 CO -0.09 0.58 -0.72 0.78 -0.95 0.00 0.00 178.83 178.43 1odb h GLY 59 N 0.85 0.01 1.06 3.46 0.00 -1.30 -2.90 103.07 104.25 1odb h GLY 59 Ca 0.18 -0.01 -0.22 0.00 0.00 0.00 0.00 47.33 47.28 1odb h GLY 59 CO -0.02 0.01 -0.83 1.41 0.00 0.00 0.00 176.54 177.11 1odb h LEU 60 N 0.00 0.80 -7.98 3.11 3.38 -0.96 -3.40 115.31 110.25 1odb h LEU 60 Ca -0.01 -0.72 -0.64 0.00 0.09 0.00 0.00 57.88 56.60 1odb h LEU 60 Cb 1.27 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 1odb h LEU 60 CO 0.09 1.40 1.76 -0.62 0.09 0.00 0.00 178.44 181.17 1odb s ASP 61 N -7.06 6.67 0.14 -0.43 2.15 -0.36 -4.78 116.67 112.99 1odb s ASP 61 Ca -0.11 -1.96 0.11 0.00 0.43 0.00 0.00 52.55 51.02 1odb s ASP 61 Cb 0.06 -2.56 -0.13 0.00 -0.30 0.00 0.00 42.92 39.99 1odb s ASP 61 CO 0.88 -1.32 1.21 0.00 -0.17 0.00 0.00 175.17 175.78 1odb h ALA 62 N 8.72 0.52 -0.01 3.66 0.00 -1.79 -3.12 119.26 127.23 1odb h ALA 62 Ca 0.31 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1odb h ALA 62 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1odb h ALA 62 CO 1.42 1.09 -0.24 0.27 0.00 0.00 0.00 179.25 181.79 1odb n ASN 63 N -3.24 1.43 -2.28 0.00 0.23 -1.26 -5.01 115.26 105.13 1odb n ASN 63 Ca -0.02 -1.19 -0.13 0.00 -0.53 0.00 0.00 54.58 52.70 1odb n ASN 63 Cb 0.89 0.17 0.05 0.00 -2.08 0.00 0.00 39.78 38.81 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 -0.26 -4.46 -0.30 -3.83 0.00 -1.18 -4.97 117.38 102.39 1odb n GLN 64 Ca 0.13 0.47 0.09 0.00 0.00 0.00 0.00 57.00 57.69 1odb n GLN 64 Cb 0.39 -4.43 0.25 0.00 0.00 0.00 0.00 30.24 26.45 1odb n GLN 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1odb n ASP 65 N -1.24 3.54 -0.13 2.61 5.68 -1.26 -4.97 116.55 120.78 1odb n ASP 65 Ca -0.02 -2.04 -0.02 0.00 -0.50 0.00 0.00 54.79 52.21 1odb n ASP 65 Cb 0.54 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 1odb n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1odb n GLU 66 N 1.08 -0.41 -4.19 0.11 -0.58 -1.26 -5.04 120.64 110.36 1odb n GLU 66 Ca 0.19 0.31 -0.19 0.00 -0.42 0.00 0.00 57.16 57.05 1odb n GLU 66 Cb 0.55 -3.77 -0.12 0.00 -0.57 0.00 0.00 31.44 27.53 1odb n GLU 66 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1odb s GLN 67 N -1.14 0.88 -0.41 3.49 -0.21 -1.26 -4.49 119.66 116.52 1odb s GLN 67 Ca 0.00 -1.03 -0.08 0.00 0.02 0.00 0.00 55.36 54.27 1odb s GLN 67 Cb 0.00 -0.87 0.08 0.00 1.00 0.00 0.00 33.01 33.22 1odb s GLN 67 CO 0.00 0.19 0.24 0.08 -2.12 0.00 0.00 175.29 173.68 1odb s VAL 68 N -1.47 4.02 0.99 1.09 1.01 -0.09 -4.72 120.40 121.23 1odb s VAL 68 Ca 0.01 -1.52 -0.16 0.00 0.00 0.00 0.00 61.98 60.31 1odb s VAL 68 Cb -0.09 -3.51 0.19 0.00 0.00 0.00 0.00 36.38 32.98 1odb s VAL 68 CO 0.02 -0.53 1.23 1.51 0.00 0.00 0.00 175.10 177.33 1odb s ASP 69 N 2.08 2.86 0.30 3.32 1.47 -1.26 -0.85 116.67 124.58 1odb s ASP 69 Ca 0.03 0.52 -0.01 0.00 1.18 0.00 0.00 52.55 54.27 1odb s ASP 69 Cb -0.23 -0.74 0.46 0.00 -0.34 0.00 0.00 42.92 42.06 1odb s ASP 69 CO 0.01 -2.91 1.90 0.15 0.68 0.00 0.00 175.17 174.99 1odb h PHE 70 N -1.76 0.89 -0.63 2.11 3.57 -1.99 -0.54 116.94 118.59 1odb h PHE 70 Ca -0.46 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 60.93 1odb h PHE 70 Cb 1.27 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1odb h PHE 70 CO -0.97 0.66 0.11 1.96 -2.23 0.00 0.00 178.31 177.84 1odb h GLN 71 N 0.89 1.03 -0.39 1.11 1.08 -1.96 -1.85 115.11 115.01 1odb h GLN 71 Ca 0.22 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 1odb h GLN 71 Cb 0.12 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1odb h GLN 71 CO -0.03 0.94 -0.26 0.93 -0.95 0.00 0.00 178.83 179.47 1odb h GLU 72 N 0.97 0.80 0.00 1.46 5.08 -1.78 -2.95 114.58 118.16 1odb h GLU 72 Ca 0.20 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1odb h GLU 72 Cb 0.41 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1odb h GLU 72 CO 0.01 0.97 -0.04 0.35 -1.00 0.00 0.00 179.01 179.31 1odb h PHE 73 N 0.69 0.00 -0.31 4.33 3.57 -0.68 -1.70 116.94 122.83 1odb h PHE 73 Ca 0.09 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1odb h PHE 73 Cb 0.79 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1odb h PHE 73 CO 0.04 0.04 0.21 0.82 -2.23 0.00 0.00 178.31 177.19 1odb h ILE 74 N 0.00 1.03 -0.22 1.41 2.04 -1.16 -1.18 117.51 119.43 1odb h ILE 74 Ca -0.00 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1odb h ILE 74 Cb 0.07 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1odb h ILE 74 CO 0.00 0.06 0.00 0.28 0.00 0.00 0.00 178.15 178.50 1odb h SER 75 N 0.34 0.29 -0.00 1.72 0.02 -1.43 -0.91 113.55 113.59 1odb h SER 75 Ca 0.12 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 1odb h SER 75 Cb 0.08 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1odb h SER 75 CO -0.03 0.35 -0.67 0.25 -1.14 0.00 0.00 176.83 175.59 1odb h LEU 76 N 0.32 0.73 -0.87 5.07 5.85 -1.34 -1.79 115.31 123.28 1odb h LEU 76 Ca 0.07 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1odb h LEU 76 Cb 0.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1odb h LEU 76 CO 0.00 1.20 0.47 0.58 -0.34 0.00 0.00 178.44 180.35 1odb h VAL 77 N 0.45 1.26 -0.18 1.05 2.07 -0.93 -1.03 116.25 118.94 1odb h VAL 77 Ca -0.02 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1odb h VAL 77 Cb 1.26 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1odb h VAL 77 CO 0.13 0.29 0.04 0.00 0.02 0.00 0.00 177.57 178.05 1odb h ALA 78 N 1.25 0.24 -0.61 1.67 0.00 -1.01 0.39 119.26 121.19 1odb h ALA 78 Ca 0.30 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1odb h ALA 78 Cb 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1odb h ALA 78 CO -0.05 -0.12 0.10 0.82 0.00 0.00 0.00 179.25 180.01 1odb h ILE 79 N 0.10 0.59 -0.05 0.00 2.04 -1.19 -1.74 117.51 117.25 1odb h ILE 79 Ca 0.06 -0.08 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 1odb h ILE 79 Cb 0.27 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1odb h ILE 79 CO 0.00 0.04 -0.78 0.00 0.00 0.00 0.00 178.15 177.41 1odb h ALA 80 N 1.51 0.55 -0.59 1.87 0.00 -0.74 -1.88 119.26 119.98 1odb h ALA 80 Ca 0.32 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1odb h ALA 80 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1odb h ALA 80 CO -0.44 0.79 0.11 -0.07 0.00 0.00 0.00 179.25 179.64 1odb h LEU 81 N 0.25 0.92 -0.71 0.00 3.38 -0.71 0.60 115.31 119.04 1odb h LEU 81 Ca -0.04 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1odb h LEU 81 Cb 1.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1odb h LEU 81 CO 0.13 0.93 -0.03 0.11 0.09 0.00 0.00 178.44 179.68 1odb h LYS 82 N 0.86 0.97 -0.38 1.13 1.57 -1.20 0.33 116.57 119.84 1odb h LYS 82 Ca 0.18 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1odb h LYS 82 Cb 0.39 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1odb h LYS 82 CO 0.01 0.97 0.08 0.00 -0.57 0.00 0.00 179.45 179.94 1odb h ALA 83 N 1.07 0.51 -0.21 3.86 0.00 -1.01 -0.34 119.26 123.15 1odb h ALA 83 Ca 0.16 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1odb h ALA 83 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1odb h ALA 83 CO 0.03 0.20 -0.38 0.00 0.00 0.00 0.00 179.25 179.10 1odb h ALA 84 N 0.93 0.96 0.26 0.00 0.00 -0.48 -1.26 119.26 119.67 1odb h ALA 84 Ca 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1odb h ALA 84 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1odb h ALA 84 CO 0.00 0.62 -0.12 1.25 0.00 0.00 0.00 179.25 181.00 1odb h HIS 85 N 0.39 -0.32 -0.76 0.00 6.17 -0.78 -2.18 115.15 117.67 1odb h HIS 85 Ca 0.04 -0.01 0.15 0.00 0.71 0.00 0.00 60.37 61.26 1odb h HIS 85 Cb 0.84 0.11 -0.10 0.00 2.52 0.00 0.00 27.41 30.77 1odb h HIS 85 CO 0.03 -0.10 0.28 -0.92 0.71 0.00 0.00 177.93 177.93 1odb h TYR 86 N -0.48 0.48 -0.03 5.26 3.20 -0.79 -1.87 116.97 122.74 1odb h TYR 86 Ca -0.04 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1odb h TYR 86 Cb 0.36 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1odb h TYR 86 CO -0.02 0.03 -0.38 1.25 -1.64 0.00 0.00 178.16 177.39 1odb h HIS 87 N 0.41 0.07 -0.07 -3.82 2.76 -0.96 -1.18 115.15 112.36 1odb h HIS 87 Ca 0.43 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.47 1odb h HIS 87 Cb 0.68 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 1odb h HIS 87 CO -0.18 0.43 -0.46 1.79 -1.30 0.00 0.00 177.93 178.22 1odb h THR 88 N 0.05 1.33 0.00 6.26 1.35 -0.70 -3.12 112.91 118.09 1odb h THR 88 Ca 0.00 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1odb h THR 88 Cb 0.70 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1odb h THR 88 CO 0.05 0.47 -0.73 0.45 -0.25 0.00 0.00 175.52 175.51 1odb h HIS 89 N 0.13 0.00 -0.00 4.73 -0.00 -1.38 -3.52 115.15 115.10 1odb h HIS 89 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1odb h HIS 89 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 1odb h HIS 89 CO 0.01 0.00 0.00 1.63 -0.00 0.00 0.00 177.93 179.57