#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 2.00 0.14 2.46 -4.23 -1.26 -4.82 115.64 109.93 1odb s THR 1 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1odb s THR 1 Cb 0.00 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1odb s THR 1 CO 0.00 0.00 1.69 0.07 -0.54 0.00 0.00 174.62 175.84 1odb h LYS 2 N -1.47 0.65 -0.34 3.99 -0.00 -2.05 -0.62 116.57 116.72 1odb h LYS 2 Ca -0.50 -0.12 0.07 0.00 -0.00 0.00 0.00 60.65 60.10 1odb h LYS 2 Cb 1.33 -0.11 -0.06 0.00 -0.00 0.00 0.00 32.23 33.39 1odb h LYS 2 CO 0.62 0.59 -0.07 1.25 -0.00 0.00 0.00 179.45 181.85 1odb h LEU 3 N 0.56 -0.28 -1.04 7.07 6.46 -1.99 -1.08 115.31 125.01 1odb h LEU 3 Ca 0.15 0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.94 1odb h LEU 3 Cb 0.19 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1odb h LEU 3 CO -0.01 -0.10 0.04 -0.33 -0.62 0.00 0.00 178.44 177.42 1odb h GLU 4 N 0.02 0.73 -0.64 1.25 5.08 -1.79 -1.11 114.58 118.11 1odb h GLU 4 Ca 0.17 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1odb h GLU 4 Cb 0.25 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1odb h GLU 4 CO -0.34 0.72 0.25 0.93 -1.00 0.00 0.00 179.01 179.57 1odb h GLU 5 N 0.69 0.96 -0.65 2.33 5.08 -0.74 -0.06 114.58 122.19 1odb h GLU 5 Ca 0.14 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1odb h GLU 5 Cb 0.37 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1odb h GLU 5 CO 0.01 0.81 0.30 0.45 -1.00 0.00 0.00 179.01 179.57 1odb h HIS 6 N 0.90 0.95 -0.35 4.33 3.86 -0.49 0.85 115.15 125.19 1odb h HIS 6 Ca 0.21 -0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 59.21 1odb h HIS 6 Cb 0.21 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1odb h HIS 6 CO 0.01 0.72 -0.40 -0.07 0.86 0.00 0.00 177.93 179.05 1odb h LEU 7 N 0.90 0.93 -0.74 2.43 3.38 -0.93 -1.83 115.31 119.43 1odb h LEU 7 Ca 0.22 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 1odb h LEU 7 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1odb h LEU 7 CO -0.02 1.21 -0.51 -0.08 0.09 0.00 0.00 178.44 179.13 1odb h GLU 8 N 0.70 0.32 -0.88 1.13 4.81 -0.87 -2.73 114.58 117.06 1odb h GLU 8 Ca 0.05 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1odb h GLU 8 Cb 0.98 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1odb h GLU 8 CO 0.09 0.75 0.54 0.78 -0.73 0.00 0.00 179.01 180.45 1odb h GLY 9 N 1.29 1.26 0.85 1.92 0.00 -0.48 -1.04 103.07 106.87 1odb h GLY 9 Ca 0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1odb h GLY 9 CO 0.08 0.49 0.03 -2.22 0.00 0.00 0.00 176.54 174.93 1odb h ILE 10 N 1.20 1.23 -0.40 2.60 2.04 -1.06 -1.67 117.51 121.45 1odb h ILE 10 Ca 0.32 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.45 1odb h ILE 10 Cb -0.07 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1odb h ILE 10 CO -0.06 0.25 0.10 0.58 0.00 0.00 0.00 178.15 179.01 1odb h VAL 11 N 0.20 0.82 -0.66 1.67 2.07 -1.23 -0.83 116.25 118.28 1odb h VAL 11 Ca 0.07 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1odb h VAL 11 Cb 0.34 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1odb h VAL 11 CO 0.01 0.04 0.42 0.78 0.02 0.00 0.00 177.57 178.84 1odb h ASN 12 N 0.24 0.78 -0.47 0.57 2.35 -1.10 -0.71 115.58 117.25 1odb h ASN 12 Ca 0.19 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1odb h ASN 12 Cb 0.21 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1odb h ASN 12 CO -0.23 0.59 0.02 0.40 -1.65 0.00 0.00 177.43 176.55 1odb h ILE 13 N 0.90 1.26 -0.74 2.81 2.04 -1.09 0.57 117.51 123.26 1odb h ILE 13 Ca 0.24 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 65.19 1odb h ILE 13 Cb -0.07 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1odb h ILE 13 CO -0.05 0.36 0.36 0.15 0.00 0.00 0.00 178.15 178.97 1odb h PHE 14 N 0.67 0.64 -0.21 1.37 3.57 -0.60 -2.56 116.94 119.82 1odb h PHE 14 Ca 0.13 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 1odb h PHE 14 Cb 0.48 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1odb h PHE 14 CO 0.04 0.20 -0.48 0.45 -2.23 0.00 0.00 178.31 176.28 1odb h HIS 15 N 0.59 0.68 -0.68 0.41 3.86 -0.74 -0.66 115.15 118.61 1odb h HIS 15 Ca 0.38 -0.22 0.16 0.00 -1.16 0.00 0.00 60.37 59.53 1odb h HIS 15 Cb 0.45 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 1odb h HIS 15 CO -0.11 0.93 0.47 0.37 0.86 0.00 0.00 177.93 180.45 1odb h GLN 16 N 0.44 0.21 0.00 2.45 4.15 -0.47 -2.20 115.11 119.70 1odb h GLN 16 Ca 0.02 -0.01 -0.36 0.00 0.77 0.00 0.00 58.65 59.07 1odb h GLN 16 Cb 1.00 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.58 1odb h GLN 16 CO 0.09 0.14 -2.28 0.66 -1.93 0.00 0.00 178.83 175.51 1odb n TYR 17 N -4.42 0.20 -0.03 3.99 4.01 -1.09 -4.52 117.16 115.30 1odb n TYR 17 Ca 0.13 0.07 -0.05 0.00 -0.16 0.00 0.00 57.90 57.88 1odb n TYR 17 Cb 0.60 -1.04 0.15 0.00 -0.31 0.00 0.00 39.34 38.74 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 0.63 0.99 7.72 4.64 -0.66 -3.13 113.55 123.73 1odb h SER 18 Ca -0.51 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1odb h SER 18 Cb 2.16 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1odb h SER 18 CO 0.02 0.84 0.00 1.33 -0.87 0.00 0.00 176.83 178.16 1odb n VAL 19 N -4.12 0.74 -0.15 0.95 0.24 -0.87 -3.98 118.33 111.14 1odb n VAL 19 Ca -0.00 0.05 -0.02 0.00 -2.04 0.00 0.00 64.34 62.34 1odb n VAL 19 Cb 0.41 -0.96 0.22 0.00 -1.47 0.00 0.00 33.84 32.03 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 0.86 -3.71 7.34 3.08 -1.78 -3.46 114.38 116.71 1odb h ARG 20 Ca 0.00 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1odb h ARG 20 Cb 0.49 -0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 1odb h ARG 20 CO 0.00 0.70 -0.13 0.15 -1.07 0.00 0.00 179.97 179.63 1odb s LYS 21 N -5.40 1.60 4.24 0.04 1.02 -1.26 -5.12 119.74 114.87 1odb s LYS 21 Ca -0.10 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1odb s LYS 21 Cb 0.16 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.94 1odb s LYS 21 CO 0.79 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1odb n GLY 22 N -0.40 3.20 3.71 -3.33 0.00 -1.26 -4.04 105.19 103.06 1odb n GLY 22 Ca -0.01 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1odb n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1odb s HIS 23 N 0.00 3.64 -0.04 1.61 3.76 -1.26 -4.95 115.29 118.05 1odb s HIS 23 Ca 0.00 1.58 0.18 0.00 -0.15 0.00 0.00 55.06 56.67 1odb s HIS 23 Cb 0.00 -3.03 0.37 0.00 1.11 0.00 0.00 32.58 31.03 1odb s HIS 23 CO 0.00 0.02 1.59 0.74 -0.85 0.00 0.00 174.74 176.24 1odb h PHE 24 N 6.75 0.00 -0.02 1.40 0.04 -1.72 -3.08 116.94 120.31 1odb h PHE 24 Ca -0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1odb h PHE 24 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1odb h PHE 24 CO 0.67 0.41 -0.14 -3.47 -0.60 0.00 0.00 178.31 175.18 1odb n ASP 25 N -3.32 2.31 -4.41 2.17 2.03 -1.26 -2.12 116.55 111.95 1odb n ASP 25 Ca 0.01 -1.69 -0.20 0.00 0.52 0.00 0.00 54.79 53.43 1odb n ASP 25 Cb 0.62 0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 41.04 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 -2.16 1.52 -0.19 5.18 -4.23 -1.16 -4.57 115.64 110.02 1odb s THR 26 Ca 0.27 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.60 1odb s THR 26 Cb 0.20 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1odb s THR 26 CO 0.39 -0.30 0.08 -0.76 -0.54 0.00 0.00 174.62 173.49 1odb s LEU 27 N -3.42 3.89 0.79 4.79 1.43 -0.88 -4.56 118.68 120.73 1odb s LEU 27 Ca 0.29 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1odb s LEU 27 Cb 0.04 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.36 1odb s LEU 27 CO 0.11 0.17 1.14 -0.94 0.23 0.00 0.00 176.35 177.07 1odb s SER 28 N 0.41 4.43 0.39 2.29 1.04 -1.26 -0.32 113.70 120.68 1odb s SER 28 Ca 0.04 0.60 0.10 0.00 0.48 0.00 0.00 55.95 57.18 1odb s SER 28 Cb -0.12 -1.09 0.89 0.00 0.10 0.00 0.00 66.02 65.80 1odb s SER 28 CO -0.00 -1.91 1.94 0.50 0.98 0.00 0.00 173.24 174.75 1odb h LYS 29 N -0.98 0.58 0.02 4.02 1.63 -1.99 0.38 116.57 120.22 1odb h LYS 29 Ca -0.45 -0.03 -0.21 0.00 -0.85 0.00 0.00 60.65 59.10 1odb h LYS 29 Cb 1.31 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 1odb h LYS 29 CO 0.61 0.38 -0.95 0.78 -3.45 0.00 0.00 179.45 176.81 1odb h GLY 30 N 0.59 0.23 0.86 5.01 0.00 -1.97 -2.06 103.07 105.73 1odb h GLY 30 Ca 0.34 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1odb h GLY 30 CO -0.12 0.40 -0.28 0.83 0.00 0.00 0.00 176.54 177.37 1odb h GLU 31 N 0.10 0.53 0.00 4.80 5.08 -1.86 -3.17 114.58 120.06 1odb h GLU 31 Ca -0.06 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1odb h GLU 31 Cb 1.61 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1odb h GLU 31 CO 0.15 0.91 -0.09 1.25 -1.00 0.00 0.00 179.01 180.22 1odb h LEU 32 N 0.20 0.00 -0.39 1.33 5.85 -0.87 -2.26 115.31 119.17 1odb h LEU 32 Ca 0.02 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 1odb h LEU 32 Cb 0.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1odb h LEU 32 CO 0.06 0.09 -0.49 0.50 -0.34 0.00 0.00 178.44 178.27 1odb h LYS 33 N 0.00 0.83 -0.24 1.25 1.63 -1.38 -1.90 116.57 116.75 1odb h LYS 33 Ca -0.00 -0.49 -0.16 0.00 -0.85 0.00 0.00 60.65 59.16 1odb h LYS 33 Cb 0.20 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1odb h LYS 33 CO 0.01 1.12 -0.48 1.96 -3.45 0.00 0.00 179.45 178.61 1odb h GLN 34 N 0.65 0.65 -0.09 1.90 4.20 -1.40 -2.95 115.11 118.07 1odb h GLN 34 Ca 0.03 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 1odb h GLN 34 Cb 1.08 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1odb h GLN 34 CO 0.11 0.99 -0.16 1.25 -0.67 0.00 0.00 178.83 180.35 1odb h LEU 35 N 0.52 0.29 -0.42 1.46 6.46 -1.33 -1.86 115.31 120.43 1odb h LEU 35 Ca 0.03 -0.55 0.06 0.00 -0.12 0.00 0.00 57.88 57.29 1odb h LEU 35 Cb 1.03 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.82 1odb h LEU 35 CO 0.10 0.79 0.12 -0.07 -0.62 0.00 0.00 178.44 178.76 1odb h LEU 36 N -0.19 0.09 -0.12 2.25 3.38 -1.46 -0.48 115.31 118.78 1odb h LEU 36 Ca 0.00 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1odb h LEU 36 Cb 0.74 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1odb h LEU 36 CO 0.04 0.09 -0.34 0.71 0.09 0.00 0.00 178.44 179.02 1odb h THR 37 N 0.27 1.38 0.12 0.22 1.35 -1.53 -2.19 112.91 112.53 1odb h THR 37 Ca 0.20 -1.64 -0.22 0.00 -0.55 0.00 0.00 66.41 64.19 1odb h THR 37 Cb 0.22 2.11 0.02 0.00 -1.73 0.00 0.00 68.15 68.77 1odb h THR 37 CO -0.23 0.49 -0.95 0.50 -0.25 0.00 0.00 175.52 175.08 1odb h LYS 38 N 0.03 0.44 -0.01 4.72 3.64 -1.33 -3.18 116.57 120.88 1odb h LYS 38 Ca -0.01 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 1odb h LYS 38 Cb 0.96 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1odb h LYS 38 CO 0.07 1.27 -0.63 0.39 -2.27 0.00 0.00 179.45 178.29 1odb n GLU 39 N -4.02 0.98 -1.40 1.90 -0.58 -0.19 -4.43 120.64 112.90 1odb n GLU 39 Ca -0.13 -0.62 0.04 0.00 -0.42 0.00 0.00 57.16 56.02 1odb n GLU 39 Cb 0.86 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 30.31 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 -0.55 0.89 0.21 -4.62 4.32 -0.83 -4.91 117.00 111.52 1odb n LEU 40 Ca 0.07 -1.90 0.05 0.00 -0.02 0.00 0.00 56.01 54.21 1odb n LEU 40 Cb 0.40 0.00 0.51 0.00 -1.62 0.00 0.00 43.42 42.71 1odb n LEU 40 CO 0.32 0.48 0.93 0.00 -1.22 0.00 0.00 177.39 177.90 1odb h ALA 41 N 0.89 1.72 -0.01 -1.18 0.00 -1.54 -2.87 119.26 116.27 1odb h ALA 41 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1odb h ALA 41 Cb 1.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1odb h ALA 41 CO 0.09 0.21 -0.34 0.09 0.00 0.00 0.00 179.25 179.30 1odb n ASN 42 N -4.35 1.80 -0.01 0.00 3.02 -1.26 -4.47 115.26 109.98 1odb n ASN 42 Ca -0.02 -1.38 0.06 0.00 -0.03 0.00 0.00 54.58 53.20 1odb n ASN 42 Cb 0.22 0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.06 0.08 -3.71 3.41 -1.04 -1.09 -4.93 114.28 106.95 1odb n THR 43 Ca 0.11 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.05 61.55 1odb n THR 43 Cb 0.44 0.11 -0.17 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.88 0.22 1.13 12.58 1.01 -1.21 -4.95 121.20 127.10 1odb s ILE 44 Ca -0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 1odb s ILE 44 Cb 0.08 -0.59 0.27 0.00 0.01 0.00 0.00 42.46 42.23 1odb s ILE 44 CO 0.56 0.02 1.04 -0.54 0.00 0.00 0.00 174.94 176.02 1odb s LYS 45 N 2.02 -0.67 -1.50 2.79 1.02 -1.26 -3.73 119.74 118.40 1odb s LYS 45 Ca 0.03 0.92 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1odb s LYS 45 Cb -0.14 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 1odb s LYS 45 CO -0.06 -3.58 0.00 0.09 -0.92 0.00 0.00 175.35 170.87 1odb n ASN 46 N -4.83 -4.13 0.28 2.83 5.03 -1.26 -4.86 115.26 108.32 1odb n ASN 46 Ca 0.04 0.30 0.16 0.00 0.87 0.00 0.00 54.58 55.94 1odb n ASN 46 Cb 0.54 -3.69 0.77 0.00 -1.02 0.00 0.00 39.78 36.38 1odb n ASN 46 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1odb h ILE 47 N 0.00 0.29 0.00 2.41 6.09 -1.94 -2.60 117.51 121.75 1odb h ILE 47 Ca -0.32 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 62.66 1odb h ILE 47 Cb 1.07 1.39 0.00 0.00 0.47 0.00 0.00 36.82 39.75 1odb h ILE 47 CO 0.44 0.07 -0.54 0.50 -3.07 0.00 0.00 178.15 175.56 1odb h LYS 48 N 0.00 0.00 -6.77 2.19 3.64 -1.91 -3.46 116.57 110.26 1odb h LYS 48 Ca -0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 1odb h LYS 48 Cb 0.39 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1odb h LYS 48 CO 0.01 0.00 0.61 0.16 -2.27 0.00 0.00 179.45 177.96 1odb s ASP 49 N -5.06 6.93 0.43 4.20 -4.77 -0.98 -4.94 116.67 112.48 1odb s ASP 49 Ca 0.05 2.46 0.24 0.00 -3.30 0.00 0.00 52.55 52.00 1odb s ASP 49 Cb 0.10 -2.63 0.68 0.00 -1.09 0.00 0.00 42.92 39.98 1odb s ASP 49 CO 0.72 -0.45 1.72 0.50 0.70 0.00 0.00 175.17 178.36 1odb h LYS 50 N 4.43 0.00 -0.14 2.11 3.11 -1.88 -3.25 116.57 120.94 1odb h LYS 50 Ca -0.46 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.36 1odb h LYS 50 Cb 1.22 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 1odb h LYS 50 CO 0.71 0.18 0.04 0.00 -2.81 0.00 0.00 179.45 177.58 1odb h ALA 51 N 1.82 0.18 -0.42 5.00 0.00 -1.93 -2.90 119.26 121.01 1odb h ALA 51 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1odb h ALA 51 Cb 0.90 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1odb h ALA 51 CO 0.02 -0.19 -0.08 -0.24 0.00 0.00 0.00 179.25 178.76 1odb h VAL 52 N 0.04 1.25 -0.38 0.00 3.04 -1.82 -2.52 116.25 115.84 1odb h VAL 52 Ca 0.04 -1.09 -0.12 0.00 -1.01 0.00 0.00 66.70 64.53 1odb h VAL 52 Cb 0.23 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 1odb h VAL 52 CO -0.00 0.37 -0.25 0.40 -1.01 0.00 0.00 177.57 177.08 1odb h ILE 53 N 0.66 1.27 -0.39 3.17 2.04 -1.63 -2.46 117.51 120.18 1odb h ILE 53 Ca 0.12 -1.37 0.07 0.00 1.00 0.00 0.00 64.86 64.68 1odb h ILE 53 Cb 0.53 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 1odb h ILE 53 CO 0.03 0.46 -0.03 -2.24 0.00 0.00 0.00 178.15 176.37 1odb h ASP 54 N 0.67 -0.22 0.82 1.72 -0.00 -1.24 -2.40 116.42 115.77 1odb h ASP 54 Ca 0.09 0.10 -0.19 0.00 -0.00 0.00 0.00 57.03 57.03 1odb h ASP 54 Cb 0.77 0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 40.25 1odb h ASP 54 CO 0.06 -0.07 -0.87 1.05 -0.00 0.00 0.00 179.24 179.41 1odb h GLU 55 N 0.07 0.03 -0.11 4.15 -0.00 -1.38 -2.47 114.58 114.88 1odb h GLU 55 Ca 0.19 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.36 59.50 1odb h GLU 55 Cb 0.27 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.03 1odb h GLU 55 CO -0.34 0.88 0.03 0.82 -0.00 0.00 0.00 179.01 180.41 1odb h ILE 56 N 0.02 1.17 -0.74 -1.06 2.04 -1.39 -2.42 117.51 115.13 1odb h ILE 56 Ca -0.02 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1odb h ILE 56 Cb 1.53 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 1odb h ILE 56 CO 0.12 0.15 0.39 0.15 0.00 0.00 0.00 178.15 178.95 1odb h PHE 57 N -0.01 1.04 -0.45 1.37 3.04 -1.33 -0.90 116.94 119.70 1odb h PHE 57 Ca 0.03 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1odb h PHE 57 Cb 0.21 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 1odb h PHE 57 CO -0.01 0.75 0.11 1.96 -2.02 0.00 0.00 178.31 179.10 1odb h GLN 58 N 1.03 0.66 -0.22 1.11 1.08 -1.48 -1.41 115.11 115.88 1odb h GLN 58 Ca 0.26 -0.12 -0.19 0.00 -1.45 0.00 0.00 58.65 57.15 1odb h GLN 58 Cb 0.07 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1odb h GLN 58 CO -0.04 0.60 -0.62 0.78 -0.95 0.00 0.00 178.83 178.61 1odb h GLY 59 N 0.86 0.83 1.48 3.46 0.00 -0.92 -3.32 103.07 105.46 1odb h GLY 59 Ca 0.15 -1.03 -0.21 0.00 0.00 0.00 0.00 47.33 46.24 1odb h GLY 59 CO -0.00 0.92 -0.84 1.41 0.00 0.00 0.00 176.54 178.02 1odb h LEU 60 N 0.56 0.60 -7.85 3.11 3.38 -0.97 -3.37 115.31 110.76 1odb h LEU 60 Ca -0.01 -0.43 -0.68 0.00 0.09 0.00 0.00 57.88 56.85 1odb h LEU 60 Cb 1.21 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1odb h LEU 60 CO 0.13 1.21 2.10 -0.62 0.09 0.00 0.00 178.44 181.35 1odb s ASP 61 N -7.06 6.85 0.34 -0.43 2.15 -0.55 -4.75 116.67 113.23 1odb s ASP 61 Ca -0.07 -2.47 0.25 0.00 0.43 0.00 0.00 52.55 50.69 1odb s ASP 61 Cb 0.09 -2.56 0.63 0.00 -0.30 0.00 0.00 42.92 40.78 1odb s ASP 61 CO 0.87 -1.14 1.71 0.00 -0.17 0.00 0.00 175.17 176.44 1odb h ALA 62 N 7.60 1.00 -0.18 3.66 0.00 -1.82 -3.11 119.26 126.41 1odb h ALA 62 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1odb h ALA 62 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1odb h ALA 62 CO 1.44 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.96 1odb n ASN 63 N -2.71 2.54 -2.41 0.00 6.94 -1.26 -5.02 115.26 113.33 1odb n ASN 63 Ca 0.04 -2.08 -0.18 0.00 -0.02 0.00 0.00 54.58 52.34 1odb n ASN 63 Cb 0.46 -0.15 0.02 0.00 -2.36 0.00 0.00 39.78 37.75 1odb n ASN 63 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1odb n GLN 64 N -0.05 -3.54 -0.86 -3.83 1.13 -1.18 -4.90 117.38 104.16 1odb n GLN 64 Ca 0.07 0.77 -0.01 0.00 -1.94 0.00 0.00 57.00 55.89 1odb n GLN 64 Cb 0.38 -5.28 0.30 0.00 0.11 0.00 0.00 30.24 25.74 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 -1.67 4.50 -2.03 1.08 5.75 -1.26 -4.94 116.55 117.99 1odb n ASP 65 Ca -0.12 -3.20 -0.13 0.00 -0.01 0.00 0.00 54.79 51.33 1odb n ASP 65 Cb 0.61 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 1odb n ASP 65 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1odb n GLU 66 N -0.24 -1.84 -4.00 0.11 -0.00 -1.26 -4.94 120.64 108.47 1odb n GLU 66 Ca 0.34 0.67 -0.11 0.00 -0.00 0.00 0.00 57.16 58.06 1odb n GLU 66 Cb 1.22 -5.13 -0.12 0.00 -0.00 0.00 0.00 31.44 27.41 1odb n GLU 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1odb s GLN 67 N -4.28 0.32 -0.41 3.44 -1.52 -1.26 -4.43 119.66 111.52 1odb s GLN 67 Ca 0.00 -0.50 -0.01 0.00 -1.95 0.00 0.00 55.36 52.90 1odb s GLN 67 Cb 0.00 -0.06 0.11 0.00 -0.22 0.00 0.00 33.01 32.84 1odb s GLN 67 CO 0.00 -0.00 0.18 0.08 -0.25 0.00 0.00 175.29 175.30 1odb s VAL 68 N -1.06 3.01 0.38 1.09 1.01 0.57 -4.61 120.40 120.79 1odb s VAL 68 Ca -0.10 -2.27 -0.06 0.00 0.00 0.00 0.00 61.98 59.54 1odb s VAL 68 Cb -0.08 -3.09 0.09 0.00 0.00 0.00 0.00 36.38 33.30 1odb s VAL 68 CO -0.00 -0.69 0.49 -0.90 0.00 0.00 0.00 175.10 174.00 1odb n ASP 69 N 4.34 -0.14 0.03 3.32 5.68 -1.26 -2.06 116.55 126.45 1odb n ASP 69 Ca 0.01 -1.13 -0.17 0.00 -0.50 0.00 0.00 54.79 53.00 1odb n ASP 69 Cb 0.41 -0.39 -0.07 0.00 -1.14 0.00 0.00 41.12 39.93 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 -1.38 0.93 -0.66 2.11 3.57 -1.99 -1.34 116.94 118.19 1odb h PHE 70 Ca -0.16 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 60.87 1odb h PHE 70 Cb 0.45 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1odb h PHE 70 CO 0.00 1.30 0.42 1.96 -2.23 0.00 0.00 178.31 179.76 1odb h GLN 71 N 0.39 0.88 -0.25 1.11 7.50 -1.99 -1.75 115.11 121.00 1odb h GLN 71 Ca -0.09 -0.06 -0.09 0.00 0.50 0.00 0.00 58.65 58.91 1odb h GLN 71 Cb 1.57 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.90 1odb h GLN 71 CO 0.18 0.60 -0.21 0.93 -1.50 0.00 0.00 178.83 178.82 1odb h GLU 72 N 0.89 0.46 0.00 1.46 5.08 -1.86 -2.75 114.58 117.86 1odb h GLU 72 Ca 0.24 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1odb h GLU 72 Cb -0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1odb h GLU 72 CO -0.05 0.65 -0.10 0.35 -1.00 0.00 0.00 179.01 178.87 1odb h PHE 73 N 0.41 0.00 0.00 4.33 3.57 -0.40 -1.88 116.94 122.97 1odb h PHE 73 Ca 0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1odb h PHE 73 Cb 0.61 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 1odb h PHE 73 CO 0.02 0.10 -0.01 0.82 -2.23 0.00 0.00 178.31 177.00 1odb h ILE 74 N 0.00 0.71 -0.55 1.41 2.04 -1.06 -0.40 117.51 119.66 1odb h ILE 74 Ca -0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1odb h ILE 74 Cb 0.18 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1odb h ILE 74 CO 0.01 0.01 0.14 0.28 0.00 0.00 0.00 178.15 178.59 1odb h SER 75 N 0.00 0.79 -0.25 1.72 0.02 -1.48 0.82 113.55 115.17 1odb h SER 75 Ca -0.00 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1odb h SER 75 Cb 0.03 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1odb h SER 75 CO 0.00 0.77 -0.16 0.25 -1.14 0.00 0.00 176.83 176.56 1odb h LEU 76 N 0.81 0.58 -0.54 5.07 5.85 -1.22 -2.42 115.31 123.44 1odb h LEU 76 Ca 0.18 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.56 1odb h LEU 76 Cb 0.29 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1odb h LEU 76 CO -0.00 0.88 0.13 0.58 -0.34 0.00 0.00 178.44 179.69 1odb h VAL 77 N 0.27 0.72 -0.58 1.05 2.07 -1.01 -1.26 116.25 117.52 1odb h VAL 77 Ca 0.05 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1odb h VAL 77 Cb 0.68 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1odb h VAL 77 CO 0.04 0.05 0.23 0.00 0.02 0.00 0.00 177.57 177.92 1odb h ALA 78 N 1.41 0.74 -0.41 1.67 0.00 -0.76 0.15 119.26 122.05 1odb h ALA 78 Ca 0.27 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1odb h ALA 78 Cb 0.37 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1odb h ALA 78 CO -0.34 -0.16 0.16 0.82 0.00 0.00 0.00 179.25 179.73 1odb h ILE 79 N 0.43 1.20 -0.00 0.00 2.04 -0.89 -2.44 117.51 117.85 1odb h ILE 79 Ca 0.28 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 1odb h ILE 79 Cb 0.31 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1odb h ILE 79 CO -0.26 0.23 -0.53 0.00 0.00 0.00 0.00 178.15 177.59 1odb h ALA 80 N 1.00 1.12 -0.21 1.87 0.00 -0.81 -2.58 119.26 119.65 1odb h ALA 80 Ca 0.14 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1odb h ALA 80 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1odb h ALA 80 CO -0.01 0.66 -0.12 -0.07 0.00 0.00 0.00 179.25 179.71 1odb h LEU 81 N 0.01 0.48 -0.99 0.00 3.38 -0.56 -1.39 115.31 116.23 1odb h LEU 81 Ca -0.00 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1odb h LEU 81 Cb 0.94 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1odb h LEU 81 CO 0.07 0.79 0.63 0.50 0.09 0.00 0.00 178.44 180.52 1odb h LYS 82 N 0.16 1.04 -0.24 1.13 3.64 -1.37 0.12 116.57 121.03 1odb h LYS 82 Ca 0.05 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1odb h LYS 82 Cb 0.62 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1odb h LYS 82 CO 0.03 0.69 -0.21 0.00 -2.27 0.00 0.00 179.45 177.69 1odb h ALA 83 N 1.49 0.35 -0.35 5.00 0.00 -1.37 -1.51 119.26 122.88 1odb h ALA 83 Ca 0.46 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1odb h ALA 83 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1odb h ALA 83 CO -0.22 0.30 0.02 0.00 0.00 0.00 0.00 179.25 179.35 1odb h ALA 84 N 0.68 1.37 0.12 0.00 0.00 -0.73 -0.07 119.26 120.64 1odb h ALA 84 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1odb h ALA 84 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1odb h ALA 84 CO 0.05 0.44 -0.06 1.25 0.00 0.00 0.00 179.25 180.94 1odb h HIS 85 N 0.53 -0.15 -0.87 0.00 6.17 -0.63 -1.95 115.15 118.24 1odb h HIS 85 Ca 0.11 -0.00 0.13 0.00 0.71 0.00 0.00 60.37 61.32 1odb h HIS 85 Cb 0.31 0.05 -0.09 0.00 2.52 0.00 0.00 27.41 30.20 1odb h HIS 85 CO 0.01 0.14 0.49 -0.92 0.71 0.00 0.00 177.93 178.36 1odb h TYR 86 N -0.43 0.88 -0.53 5.26 3.20 -1.11 -2.25 116.97 121.99 1odb h TYR 86 Ca -0.02 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1odb h TYR 86 Cb 0.35 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1odb h TYR 86 CO 0.01 0.29 0.15 1.25 -1.64 0.00 0.00 178.16 178.22 1odb h HIS 87 N 0.75 0.82 -0.55 -3.82 2.76 -0.80 -2.66 115.15 111.65 1odb h HIS 87 Ca 0.45 -0.07 -0.08 0.00 -2.20 0.00 0.00 60.37 58.48 1odb h HIS 87 Cb 0.54 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1odb h HIS 87 CO -0.06 0.68 0.03 1.79 -1.30 0.00 0.00 177.93 179.07 1odb h THR 88 N 0.78 1.25 -0.01 6.26 1.35 -0.74 -3.51 112.91 118.29 1odb h THR 88 Ca 0.18 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1odb h THR 88 Cb 0.26 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1odb h THR 88 CO -0.01 0.37 0.00 1.41 -0.25 0.00 0.00 175.52 177.05