#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opo s THR 6 N 0.00 3.39 0.29 -3.53 -4.23 -1.26 -4.90 115.64 105.39 2opo s THR 6 Ca 0.00 0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.99 2opo s THR 6 Cb 0.00 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.74 2opo s THR 6 CO 0.00 -0.59 1.78 -0.65 -0.54 0.00 0.00 174.62 174.61 2opo h PRO 7 N -0.77 0.71 -0.59 3.99 0.11 -2.05 -1.98 132.00 131.42 2opo h PRO 7 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2opo h PRO 7 Cb 1.26 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2opo h PRO 7 CO 0.62 0.47 0.31 0.37 -0.21 0.00 0.00 178.00 179.56 2opo h GLN 8 N 0.73 0.83 -0.32 1.05 5.75 -1.98 -0.97 115.11 120.19 2opo h GLN 8 Ca 0.53 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.99 2opo h GLN 8 Cb 0.77 -0.16 -0.08 0.00 1.07 0.00 0.00 27.48 29.08 2opo h GLN 8 CO -0.37 0.65 -0.40 -0.44 -2.65 0.00 0.00 178.83 175.62 2opo h ASP 9 N 0.80 -1.31 -0.43 -0.69 3.32 -1.74 -0.16 116.42 116.21 2opo h ASP 9 Ca 0.21 0.20 -0.11 0.00 0.02 0.00 0.00 57.03 57.34 2opo h ASP 9 Cb 0.07 0.57 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2opo h ASP 9 CO -0.03 -0.37 -0.14 0.40 -1.72 0.00 0.00 179.24 177.38 2opo h ILE 10 N -0.36 1.27 -0.64 0.35 2.04 -1.28 -2.39 117.51 116.49 2opo h ILE 10 Ca 0.13 -1.26 0.12 0.00 1.00 0.00 0.00 64.86 64.85 2opo h ILE 10 Cb 0.58 1.05 -0.09 0.00 -0.74 0.00 0.00 36.82 37.62 2opo h ILE 10 CO -0.51 0.44 0.16 0.00 0.00 0.00 0.00 178.15 178.23 2opo h ALA 11 N 1.03 0.79 -0.35 1.87 0.00 -0.86 0.20 119.26 121.94 2opo h ALA 11 Ca 0.12 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2opo h ALA 11 Cb 0.67 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2opo h ALA 11 CO 0.05 -0.29 -0.03 -0.44 0.00 0.00 0.00 179.25 178.53 2opo h ASP 12 N 0.29 0.64 -0.50 0.00 3.32 -0.67 -1.35 116.42 118.16 2opo h ASP 12 Ca 0.34 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2opo h ASP 12 Cb 0.52 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2opo h ASP 12 CO -0.42 0.82 0.01 0.03 -1.72 0.00 0.00 179.24 177.96 2opo h ARG 13 N 0.45 0.87 -0.26 3.56 3.08 -1.08 -2.19 114.38 118.81 2opo h ARG 13 Ca 0.10 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 2opo h ARG 13 Cb 0.51 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2opo h ARG 13 CO 0.02 0.90 -0.31 1.05 -1.07 0.00 0.00 179.97 180.56 2opo h GLU 14 N 0.74 0.54 -0.56 0.04 4.11 -0.52 -1.12 114.58 117.80 2opo h GLU 14 Ca 0.14 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2opo h GLU 14 Cb 0.50 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2opo h GLU 14 CO 0.02 0.79 0.36 -0.09 0.07 0.00 0.00 179.01 180.16 2opo h ARG 15 N 0.46 0.75 -0.32 1.06 2.43 -1.06 0.65 114.38 118.35 2opo h ARG 15 Ca 0.06 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2opo h ARG 15 Cb 0.78 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2opo h ARG 15 CO 0.06 0.52 -0.01 0.82 -1.51 0.00 0.00 179.97 179.85 2opo h ILE 16 N 0.76 1.26 0.10 1.20 2.04 -1.17 -1.26 117.51 120.44 2opo h ILE 16 Ca 0.20 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2opo h ILE 16 Cb -0.05 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2opo h ILE 16 CO -0.04 0.32 -0.08 0.15 0.00 0.00 0.00 178.15 178.50 2opo h PHE 17 N 0.37 -0.20 -0.31 1.37 3.57 -0.98 -1.86 116.94 118.90 2opo h PHE 17 Ca 0.09 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2opo h PHE 17 Cb 0.46 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2opo h PHE 17 CO 0.04 -0.13 0.03 0.87 -2.23 0.00 0.00 178.31 176.89 2opo h LYS 18 N -0.19 0.46 -0.75 1.11 1.57 -0.84 -1.77 116.57 116.16 2opo h LYS 18 Ca -0.00 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2opo h LYS 18 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2opo h LYS 18 CO -0.01 0.46 0.31 -0.09 -0.57 0.00 0.00 179.45 179.56 2opo h ARG 19 N 0.44 1.11 0.00 3.15 2.43 -0.42 -3.09 114.38 118.00 2opo h ARG 19 Ca 0.10 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2opo h ARG 19 Cb 0.25 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2opo h ARG 19 CO 0.00 0.90 -0.67 1.19 -1.51 0.00 0.00 179.97 179.88 2opo n PHE 20 N -4.34 0.39 -2.51 2.20 3.72 -0.93 -4.44 117.46 111.55 2opo n PHE 20 Ca 0.06 0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 2opo n PHE 20 Cb 0.17 -0.54 -0.01 0.00 -0.94 0.00 0.00 39.48 38.16 2opo n PHE 20 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2opo s ASP 21 N -3.93 6.56 0.12 4.37 2.15 -0.70 -4.79 116.67 120.45 2opo s ASP 21 Ca 0.07 -2.25 -0.20 0.00 0.43 0.00 0.00 52.55 50.60 2opo s ASP 21 Cb 0.14 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 40.10 2opo s ASP 21 CO 0.73 -1.47 1.77 0.74 -0.17 0.00 0.00 175.17 176.77 2opo h THR 22 N 5.77 1.03 -0.05 1.71 2.02 -1.82 -2.52 112.91 119.04 2opo h THR 22 Ca 0.40 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.51 2opo h THR 22 Cb 0.89 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2opo h THR 22 CO 1.42 0.04 0.00 -0.46 0.37 0.00 0.00 175.52 176.89 2opo n ASN 23 N -4.99 0.75 -0.51 4.18 6.94 -1.26 -4.93 115.26 115.44 2opo n ASN 23 Ca -0.04 -1.43 -0.07 0.00 -0.02 0.00 0.00 54.58 53.03 2opo n ASN 23 Cb 0.03 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 2opo n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2opo n GLY 24 N 1.00 0.86 0.35 4.83 0.00 -0.95 -4.90 105.19 106.38 2opo n GLY 24 Ca 0.18 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.90 2opo n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2opo n ASP 25 N 0.25 1.10 0.00 1.61 5.75 -1.26 -4.92 116.55 119.07 2opo n ASP 25 Ca -0.07 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 2opo n ASP 25 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2opo n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2opo n GLY 26 N 1.15 0.77 3.24 6.12 0.00 -1.26 -5.04 105.19 110.16 2opo n GLY 26 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2opo n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opo s LYS 27 N -0.58 0.83 -0.32 1.61 -2.85 -1.26 -5.14 119.74 112.04 2opo s LYS 27 Ca 0.00 -0.67 -0.11 0.00 -1.00 0.00 0.00 55.97 54.19 2opo s LYS 27 Cb 0.00 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 2opo s LYS 27 CO 0.00 -0.27 0.19 0.42 0.10 0.00 0.00 175.35 175.79 2opo s ILE 28 N -3.05 4.97 0.74 3.79 -1.09 -1.26 -4.80 121.20 120.50 2opo s ILE 28 Ca -0.01 -0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.05 2opo s ILE 28 Cb 0.01 -3.51 0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2opo s ILE 28 CO -0.06 0.08 1.12 -0.94 -1.23 0.00 0.00 174.94 173.91 2opo s SER 29 N 1.68 5.10 0.25 3.58 1.04 -1.26 -4.85 113.70 119.24 2opo s SER 29 Ca 0.06 1.02 -0.04 0.00 0.48 0.00 0.00 55.95 57.47 2opo s SER 29 Cb -0.17 -1.71 0.40 0.00 0.10 0.00 0.00 66.02 64.63 2opo s SER 29 CO 0.09 -1.55 1.83 0.28 0.98 0.00 0.00 173.24 174.87 2opo h SER 30 N -0.80 0.80 -0.67 7.02 0.02 -1.99 0.79 113.55 118.71 2opo h SER 30 Ca -0.45 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2opo h SER 30 Cb 1.28 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 2opo h SER 30 CO 0.64 0.48 0.28 0.77 -1.14 0.00 0.00 176.83 177.86 2opo h SER 31 N 0.92 0.94 -0.28 3.07 4.64 -1.99 -0.19 113.55 120.64 2opo h SER 31 Ca 0.41 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.44 2opo h SER 31 Cb 0.29 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2opo h SER 31 CO -0.22 0.83 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.86 2opo h GLU 32 N 1.00 0.83 -0.21 4.77 5.08 -1.68 -0.58 114.58 123.79 2opo h GLU 32 Ca 0.23 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2opo h GLU 32 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2opo h GLU 32 CO -0.02 1.07 0.06 1.25 -1.00 0.00 0.00 179.01 180.37 2opo h LEU 33 N 0.68 0.31 -1.01 1.33 5.85 -0.52 -0.79 115.31 121.15 2opo h LEU 33 Ca 0.06 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2opo h LEU 33 Cb 0.95 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2opo h LEU 33 CO 0.09 0.44 0.57 1.23 -0.34 0.00 0.00 178.44 180.42 2opo h GLY 34 N 0.16 1.33 1.70 3.75 0.00 -0.87 -1.19 103.07 107.95 2opo h GLY 34 Ca 0.07 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 2opo h GLY 34 CO -0.00 0.52 -0.26 -0.55 0.00 0.00 0.00 176.54 176.25 2opo h ASP 35 N 1.27 0.35 -0.06 0.19 3.32 -0.88 -0.41 116.42 120.20 2opo h ASP 35 Ca 0.33 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2opo h ASP 35 Cb -0.07 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 2opo h ASP 35 CO -0.06 0.61 0.02 0.00 -1.72 0.00 0.00 179.24 178.09 2opo h ALA 36 N 1.42 0.08 -0.80 3.45 0.00 -0.61 -2.30 119.26 120.49 2opo h ALA 36 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2opo h ALA 36 Cb 0.63 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2opo h ALA 36 CO 0.05 -0.30 0.50 -0.07 0.00 0.00 0.00 179.25 179.43 2opo h LEU 37 N -0.11 0.80 -1.60 0.00 3.38 -0.91 -1.61 115.31 115.27 2opo h LEU 37 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2opo h LEU 37 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2opo h LEU 37 CO -0.00 0.53 0.04 0.11 0.09 0.00 0.00 178.44 179.21 2opo h LYS 38 N 0.94 0.29 -0.15 1.13 1.57 -0.90 -2.18 116.57 117.28 2opo h LYS 38 Ca 0.34 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2opo h LYS 38 Cb 0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2opo h LYS 38 CO -0.15 0.29 -0.05 1.15 -0.57 0.00 0.00 179.45 180.12 2opo h THR 39 N 0.29 1.30 -0.79 -0.16 2.02 -0.75 -2.34 112.91 112.50 2opo h THR 39 Ca 0.07 -1.06 0.19 0.00 0.77 0.00 0.00 66.41 66.38 2opo h THR 39 Cb 0.14 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 2opo h THR 39 CO -0.00 0.31 0.54 0.25 0.37 0.00 0.00 175.52 176.98 2opo h LEU 40 N -0.03 0.25 -2.21 2.58 5.85 -0.90 0.14 115.31 120.99 2opo h LEU 40 Ca 0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2opo h LEU 40 Cb 0.51 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2opo h LEU 40 CO 0.02 0.11 -0.05 1.23 -0.34 0.00 0.00 178.44 179.41 2opo h GLY 41 N 0.25 0.00 -2.64 3.75 0.00 -0.83 -3.15 103.07 100.45 2opo h GLY 41 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 2opo h GLY 41 CO -0.09 0.00 0.03 -1.14 0.00 0.00 0.00 176.54 175.33 2opo n SER 42 N -3.83 3.93 -4.44 0.19 3.41 0.48 -4.99 113.62 108.37 2opo n SER 42 Ca -0.03 -2.61 -0.46 0.00 -0.26 0.00 0.00 58.87 55.51 2opo n SER 42 Cb 0.15 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 2opo n SER 42 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2opo n VAL 43 N 0.33 1.87 -3.25 -3.33 0.24 -1.19 -4.99 118.33 108.01 2opo n VAL 43 Ca 0.19 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.34 61.76 2opo n VAL 43 Cb 0.87 -0.26 -0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2opo n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2opo s THR 44 N -1.10 4.49 0.31 3.34 -4.23 -1.26 -4.93 115.64 112.26 2opo s THR 44 Ca 0.62 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2opo s THR 44 Cb -0.83 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 69.66 2opo s THR 44 CO 0.58 -0.40 1.89 -0.65 -0.54 0.00 0.00 174.62 175.50 2opo h PRO 45 N 0.63 0.92 -0.34 3.99 0.11 -1.99 0.71 132.00 136.03 2opo h PRO 45 Ca -0.48 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 2opo h PRO 45 Cb 1.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2opo h PRO 45 CO 0.58 0.61 -0.26 -0.44 -0.21 0.00 0.00 178.00 178.28 2opo h ASP 46 N 0.95 0.72 -0.56 -2.05 3.32 -1.99 -0.95 116.42 115.85 2opo h ASP 46 Ca 0.42 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2opo h ASP 46 Cb 0.36 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2opo h ASP 46 CO -0.18 0.95 0.24 -0.33 -1.72 0.00 0.00 179.24 178.20 2opo h GLU 47 N 0.61 0.82 -0.74 3.56 5.08 -1.69 -0.79 114.58 121.42 2opo h GLU 47 Ca 0.08 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2opo h GLU 47 Cb 0.76 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2opo h GLU 47 CO 0.06 0.69 0.42 0.28 -1.00 0.00 0.00 179.01 179.46 2opo h VAL 48 N 0.76 1.22 -0.83 3.13 2.07 -0.60 -1.61 116.25 120.38 2opo h VAL 48 Ca 0.19 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2opo h VAL 48 Cb 0.16 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2opo h VAL 48 CO -0.02 0.24 0.55 -0.09 0.02 0.00 0.00 177.57 178.27 2opo h ARG 49 N 1.02 1.09 -0.26 1.57 2.43 -0.72 0.83 114.38 120.33 2opo h ARG 49 Ca 0.26 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 2opo h ARG 49 Cb 0.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2opo h ARG 49 CO -0.04 0.72 -0.28 0.00 -1.51 0.00 0.00 179.97 178.85 2opo h ARG 50 N 1.12 0.52 -0.30 0.20 3.08 -0.67 -1.07 114.38 117.26 2opo h ARG 50 Ca 0.31 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2opo h ARG 50 Cb -0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2opo h ARG 50 CO -0.07 0.76 -0.01 0.52 -1.07 0.00 0.00 179.97 180.09 2opo h MET 51 N 0.46 0.54 -0.60 0.04 2.86 -0.78 -2.42 114.93 115.03 2opo h MET 51 Ca 0.06 -0.18 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 2opo h MET 51 Cb 0.73 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.27 2opo h MET 51 CO 0.06 0.69 0.21 0.52 1.06 0.00 0.00 176.91 179.45 2opo h MET 52 N 0.33 0.38 -0.03 1.72 2.86 -0.49 -1.92 114.93 117.77 2opo h MET 52 Ca 0.08 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2opo h MET 52 Cb 0.46 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2opo h MET 52 CO 0.02 0.25 -0.15 0.00 1.06 0.00 0.00 176.91 178.08 2opo h ALA 53 N 1.42 1.70 -0.50 6.32 0.00 -0.97 0.42 119.26 127.65 2opo h ALA 53 Ca 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2opo h ALA 53 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2opo h ALA 53 CO -0.32 0.23 0.23 1.49 0.00 0.00 0.00 179.25 180.88 2opo h GLU 54 N 0.04 0.73 0.00 0.00 4.57 -0.86 -3.38 114.58 115.68 2opo h GLU 54 Ca 0.01 -0.12 -0.29 0.00 -1.18 0.00 0.00 59.36 57.78 2opo h GLU 54 Cb 0.30 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2opo h GLU 54 CO 0.02 0.63 -2.11 -0.89 -1.18 0.00 0.00 179.01 175.48 2opo n ILE 55 N -4.59 1.11 -2.57 2.32 5.41 -0.95 -4.70 119.36 115.39 2opo n ILE 55 Ca 0.02 -0.56 -0.43 0.00 1.00 0.00 0.00 62.75 62.79 2opo n ILE 55 Cb 0.13 -0.88 -0.00 0.00 -0.71 0.00 0.00 39.64 38.17 2opo n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2opo s ASP 56 N -5.41 6.80 0.31 4.38 2.15 0.14 -4.79 116.67 120.25 2opo s ASP 56 Ca -0.17 -2.38 0.13 0.00 0.43 0.00 0.00 52.55 50.56 2opo s ASP 56 Cb 0.06 -2.58 0.49 0.00 -0.30 0.00 0.00 42.92 40.58 2opo s ASP 56 CO 0.56 -1.22 1.67 0.71 -0.17 0.00 0.00 175.17 176.72 2opo h THR 57 N 5.65 1.26 -0.01 1.71 1.35 -1.83 -2.67 112.91 118.37 2opo h THR 57 Ca 0.43 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 2opo h THR 57 Cb 0.88 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2opo h THR 57 CO 1.45 0.51 0.00 -0.90 -0.25 0.00 0.00 175.52 176.34 2opo n ASP 58 N -3.75 0.58 -1.52 5.36 5.68 -1.26 -4.93 116.55 116.71 2opo n ASP 58 Ca -0.01 -1.22 -0.19 0.00 -0.50 0.00 0.00 54.79 52.87 2opo n ASP 58 Cb 0.57 -0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.46 2opo n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2opo n GLY 59 N 1.06 1.79 0.00 6.12 0.00 -1.01 -4.88 105.19 108.27 2opo n GLY 59 Ca 0.22 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2opo n GLY 59 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2opo n ASP 60 N -1.16 0.00 0.00 1.61 5.75 -1.26 -4.90 116.55 116.59 2opo n ASP 60 Ca -0.20 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 2opo n ASP 60 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2opo n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2opo n GLY 61 N 0.73 0.80 3.12 6.12 0.00 -1.26 -5.04 105.19 109.66 2opo n GLY 61 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2opo n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2opo s PHE 62 N -2.76 0.91 -0.33 1.61 0.08 -1.26 -5.12 117.98 111.12 2opo s PHE 62 Ca 0.00 -0.51 -0.19 0.00 0.12 0.00 0.00 56.93 56.35 2opo s PHE 62 Cb 0.00 -0.53 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 2opo s PHE 62 CO 0.00 -0.03 0.54 0.42 -0.10 0.00 0.00 175.22 176.06 2opo s ILE 63 N -1.51 5.00 0.85 0.64 1.01 -1.26 -4.70 121.20 121.22 2opo s ILE 63 Ca -0.05 0.54 -0.12 0.00 0.00 0.00 0.00 60.65 61.01 2opo s ILE 63 Cb -0.09 -3.96 0.10 0.00 0.01 0.00 0.00 42.46 38.53 2opo s ILE 63 CO 0.01 -0.16 1.17 -0.94 0.00 0.00 0.00 174.94 175.02 2opo s SER 64 N 1.71 4.16 0.23 3.58 1.04 -1.26 -4.90 113.70 118.26 2opo s SER 64 Ca 0.21 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.40 2opo s SER 64 Cb -0.15 -1.30 0.23 0.00 0.10 0.00 0.00 66.02 64.90 2opo s SER 64 CO 0.13 -2.13 1.73 0.15 0.98 0.00 0.00 173.24 174.10 2opo h PHE 65 N -1.21 1.00 -0.62 5.02 3.57 -1.98 0.23 116.94 122.95 2opo h PHE 65 Ca -0.47 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 60.80 2opo h PHE 65 Cb 1.33 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2opo h PHE 65 CO 0.23 0.88 0.04 -0.44 -2.23 0.00 0.00 178.31 176.79 2opo h ASP 66 N 0.88 1.02 -0.19 0.41 3.32 -1.98 0.18 116.42 120.06 2opo h ASP 66 Ca 0.17 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 2opo h ASP 66 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2opo h ASP 66 CO 0.02 1.05 -0.23 -0.33 -1.72 0.00 0.00 179.24 178.03 2opo h GLU 67 N 0.97 0.64 -0.57 3.56 5.08 -1.77 -2.14 114.58 120.35 2opo h GLU 67 Ca 0.18 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2opo h GLU 67 Cb 0.51 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2opo h GLU 67 CO 0.02 0.82 0.09 0.35 -1.00 0.00 0.00 179.01 179.29 2opo h PHE 68 N 0.57 1.00 -0.95 4.33 3.57 -0.68 -2.56 116.94 122.23 2opo h PHE 68 Ca 0.08 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2opo h PHE 68 Cb 0.70 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 2opo h PHE 68 CO 0.03 0.88 0.62 1.15 -2.23 0.00 0.00 178.31 178.76 2opo h THR 69 N 0.84 1.21 -0.51 4.41 2.02 -0.43 0.20 112.91 120.65 2opo h THR 69 Ca 0.17 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2opo h THR 69 Cb 0.42 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2opo h THR 69 CO 0.01 0.23 0.28 0.44 0.37 0.00 0.00 175.52 176.85 2opo h ASP 70 N 1.25 0.63 -0.38 4.18 3.32 -1.10 0.41 116.42 124.73 2opo h ASP 70 Ca 0.36 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 2opo h ASP 70 Cb -0.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2opo h ASP 70 CO -0.09 0.54 -0.03 0.15 -1.72 0.00 0.00 179.24 178.09 2opo h PHE 71 N 0.67 0.76 -0.34 4.55 3.57 -1.03 -3.08 116.94 122.05 2opo h PHE 71 Ca 0.18 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2opo h PHE 71 Cb 0.05 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2opo h PHE 71 CO -0.02 0.80 -0.15 0.00 -2.23 0.00 0.00 178.31 176.71 2opo h ALA 72 N 0.86 1.11 -0.12 2.41 0.00 -0.23 -2.39 119.26 120.90 2opo h ALA 72 Ca 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2opo h ALA 72 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2opo h ALA 72 CO 0.03 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 2opo h ARG 73 N 0.54 0.17 -0.01 0.00 3.08 -0.84 -2.09 114.38 115.23 2opo h ARG 73 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2opo h ARG 73 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2opo h ARG 73 CO 0.04 0.22 -0.25 0.00 -1.07 0.00 0.00 179.97 178.90 2opo n ALA 74 N -2.51 3.07 -3.15 0.04 0.00 -0.93 -4.45 120.51 112.58 2opo n ALA 74 Ca -0.01 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 2opo n ALA 74 Cb 0.17 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 2opo n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2opo n ASN 75 N -0.55 0.81 0.06 0.00 3.02 -0.80 -4.96 115.26 112.83 2opo n ASN 75 Ca 0.12 -3.00 -0.07 0.00 -0.03 0.00 0.00 54.58 51.60 2opo n ASN 75 Cb 0.36 -0.57 0.08 0.00 -0.61 0.00 0.00 39.78 39.04 2opo n ASN 75 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2opo h ARG 76 N 3.00 0.35 0.01 3.52 3.08 -1.73 -2.35 114.38 120.26 2opo h ARG 76 Ca 0.08 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2opo h ARG 76 Cb 0.99 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2opo h ARG 76 CO 0.49 0.86 -0.01 0.78 -1.07 0.00 0.00 179.97 181.03 2opo h GLY 77 N 1.33 -0.02 0.16 0.04 0.00 -1.93 -1.15 103.07 101.51 2opo h GLY 77 Ca -0.01 0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2opo h GLY 77 CO 0.10 -0.01 0.16 -2.00 0.00 0.00 0.00 176.54 174.80 2opo h LEU 78 N -0.35 0.06 -0.45 3.11 5.85 -1.94 -0.94 115.31 120.65 2opo h LEU 78 Ca -0.00 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 2opo h LEU 78 Cb 0.34 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2opo h LEU 78 CO 0.00 0.03 -0.13 0.58 -0.34 0.00 0.00 178.44 178.58 2opo h VAL 79 N 0.30 1.27 -0.81 1.05 2.07 -1.24 -0.05 116.25 118.84 2opo h VAL 79 Ca 0.34 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2opo h VAL 79 Cb 0.51 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2opo h VAL 79 CO -0.41 0.43 0.40 0.50 0.02 0.00 0.00 177.57 178.51 2opo h LYS 80 N 0.72 1.15 0.07 1.57 3.64 -0.98 -1.53 116.57 121.21 2opo h LYS 80 Ca 0.11 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2opo h LYS 80 Cb 0.68 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2opo h LYS 80 CO 0.05 0.87 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.63 2opo h ASP 81 N 1.14 -0.08 -0.48 4.20 3.32 -0.71 -2.87 116.42 120.94 2opo h ASP 81 Ca 0.28 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2opo h ASP 81 Cb 0.09 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2opo h ASP 81 CO -0.04 0.37 0.24 0.58 -1.72 0.00 0.00 179.24 178.68 2opo h VAL 82 N -0.55 1.18 -0.33 -1.35 2.07 -1.00 -2.60 116.25 113.67 2opo h VAL 82 Ca -0.01 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2opo h VAL 82 Cb 0.47 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2opo h VAL 82 CO 0.02 0.21 0.05 -1.28 0.02 0.00 0.00 177.57 176.58 2opo h SER 83 N 0.73 0.54 -0.34 0.57 0.87 -1.16 -2.07 113.55 112.68 2opo h SER 83 Ca 0.18 -0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.33 2opo h SER 83 Cb 0.09 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2opo h SER 83 CO -0.02 0.67 -0.36 0.11 -0.53 0.00 0.00 176.83 176.70 2opo h LYS 84 N 0.38 0.85 0.04 2.24 1.57 -1.42 -3.39 116.57 116.84 2opo h LYS 84 Ca 0.10 -0.46 -0.38 0.00 -1.87 0.00 0.00 60.65 58.05 2opo h LYS 84 Cb 0.37 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 2opo h LYS 84 CO 0.01 1.10 -2.19 -0.89 -0.57 0.00 0.00 179.45 176.90 2opo n ILE 85 N -4.13 1.59 1.29 1.86 5.41 -0.99 -5.14 119.36 119.25 2opo n ILE 85 Ca -0.03 -0.49 0.13 0.00 1.00 0.00 0.00 62.75 63.36 2opo n ILE 85 Cb 0.53 -1.68 0.35 0.00 -0.71 0.00 0.00 39.64 38.12 2opo n ILE 85 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04