#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opo h PRO 7 N 0.00 0.65 -0.19 -0.78 0.11 -2.05 -0.99 132.00 128.75 2opo h PRO 7 Ca 0.00 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 2opo h PRO 7 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 2opo h PRO 7 CO 0.00 0.43 -0.44 0.37 -0.21 0.00 0.00 178.00 178.15 2opo h GLN 8 N 0.67 0.46 -0.37 1.05 5.75 -2.05 -1.02 115.11 119.60 2opo h GLN 8 Ca 0.55 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.81 2opo h GLN 8 Cb 0.98 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 2opo h GLN 8 CO -0.32 0.82 0.23 -0.44 -2.65 0.00 0.00 178.83 176.46 2opo h ASP 9 N 0.37 0.44 -0.26 -0.69 3.32 -1.63 -0.46 116.42 117.52 2opo h ASP 9 Ca 0.03 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2opo h ASP 9 Cb 0.93 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2opo h ASP 9 CO 0.08 0.36 -0.05 0.40 -1.72 0.00 0.00 179.24 178.31 2opo h ILE 10 N 0.49 1.28 -0.93 0.35 1.08 -1.49 -2.64 117.51 115.64 2opo h ILE 10 Ca 0.13 -1.05 0.13 0.00 -0.39 0.00 0.00 64.86 63.68 2opo h ILE 10 Cb -0.00 1.44 -0.08 0.00 -3.07 0.00 0.00 36.82 35.12 2opo h ILE 10 CO -0.03 0.33 0.59 0.00 -0.69 0.00 0.00 178.15 178.36 2opo h ALA 11 N 0.77 1.70 -0.25 1.87 0.00 -0.83 0.25 119.26 122.77 2opo h ALA 11 Ca 0.07 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2opo h ALA 11 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2opo h ALA 11 CO 0.02 0.06 -0.04 -0.44 0.00 0.00 0.00 179.25 178.85 2opo h ASP 12 N 0.82 0.47 -0.57 0.00 5.19 -1.06 -1.42 116.42 119.85 2opo h ASP 12 Ca 0.46 -0.35 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 2opo h ASP 12 Cb 0.61 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 2opo h ASP 12 CO -0.23 0.71 0.03 0.03 -3.12 0.00 0.00 179.24 176.67 2opo h ARG 13 N 0.23 0.99 -0.33 3.56 3.08 -0.81 -2.80 114.38 118.30 2opo h ARG 13 Ca 0.07 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 2opo h ARG 13 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2opo h ARG 13 CO 0.02 0.97 -0.13 1.05 -1.07 0.00 0.00 179.97 180.81 2opo h GLU 14 N 0.88 0.58 -0.23 0.04 4.11 -0.58 -1.37 114.58 118.00 2opo h GLU 14 Ca 0.17 -0.18 0.06 0.00 0.07 0.00 0.00 59.36 59.48 2opo h GLU 14 Cb 0.50 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 2opo h GLU 14 CO 0.02 0.70 -0.35 -0.09 0.07 0.00 0.00 179.01 179.36 2opo h ARG 15 N 0.53 -0.35 -0.24 1.06 2.43 -1.01 0.75 114.38 117.55 2opo h ARG 15 Ca 0.09 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2opo h ARG 15 Cb 0.54 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2opo h ARG 15 CO 0.03 -0.23 0.01 0.82 -1.51 0.00 0.00 179.97 179.09 2opo h ILE 16 N -0.36 1.25 -0.21 1.20 2.04 -1.32 -1.49 117.51 118.61 2opo h ILE 16 Ca 0.12 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2opo h ILE 16 Cb 0.56 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2opo h ILE 16 CO -0.43 0.27 0.06 0.15 0.00 0.00 0.00 178.15 178.20 2opo h PHE 17 N 0.20 0.11 -0.10 1.37 3.57 -0.94 -1.63 116.94 119.51 2opo h PHE 17 Ca 0.07 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2opo h PHE 17 Cb 0.39 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2opo h PHE 17 CO 0.03 0.05 -0.26 0.87 -2.23 0.00 0.00 178.31 176.77 2opo h LYS 18 N 0.16 0.18 -0.70 1.11 1.57 -0.80 -1.68 116.57 116.41 2opo h LYS 18 Ca 0.09 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2opo h LYS 18 Cb 0.07 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2opo h LYS 18 CO -0.11 0.43 0.45 -0.09 -0.57 0.00 0.00 179.45 179.57 2opo h ARG 19 N 0.16 0.88 -0.05 3.15 2.43 -0.62 -2.98 114.38 117.35 2opo h ARG 19 Ca 0.03 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2opo h ARG 19 Cb 0.55 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2opo h ARG 19 CO 0.04 0.58 -0.72 0.74 -1.51 0.00 0.00 179.97 179.10 2opo h PHE 20 N 0.90 0.38 -0.84 2.20 -1.00 -0.78 -3.38 116.94 114.42 2opo h PHE 20 Ca 0.27 -0.17 -0.72 0.00 2.81 0.00 0.00 57.97 60.16 2opo h PHE 20 Cb -0.04 -0.06 -0.10 0.00 3.61 0.00 0.00 35.95 39.37 2opo h PHE 20 CO -0.03 0.90 2.42 -3.47 -1.61 0.00 0.00 178.31 176.52 2opo n ASP 21 N -3.80 4.59 0.22 2.17 2.03 -0.68 -4.79 116.55 116.29 2opo n ASP 21 Ca -0.03 -2.95 0.09 0.00 0.52 0.00 0.00 54.79 52.41 2opo n ASP 21 Cb 0.70 -1.61 0.50 0.00 -0.72 0.00 0.00 41.12 39.99 2opo n ASP 21 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2opo h THR 22 N 4.27 0.73 -0.12 5.18 1.35 -1.78 -1.80 112.91 120.74 2opo h THR 22 Ca 0.46 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2opo h THR 22 Cb 0.70 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2opo h THR 22 CO 1.66 0.24 0.00 -0.46 -0.25 0.00 0.00 175.52 176.71 2opo n ASN 23 N -3.59 1.97 -1.45 5.36 6.94 -1.26 -4.97 115.26 118.25 2opo n ASN 23 Ca -0.01 -1.70 -0.17 0.00 -0.02 0.00 0.00 54.58 52.68 2opo n ASN 23 Cb 0.39 -0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.67 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 1.22 1.26 0.43 4.83 0.00 -0.68 -4.89 105.19 107.36 2opo n GLY 24 Ca 0.17 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.87 1.33 0.00 1.61 5.75 -1.26 -4.91 116.55 118.20 2opo n ASP 25 Ca -0.18 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 2opo n ASP 25 Cb 0.58 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 1.13 0.65 3.10 6.12 0.00 -1.26 -5.03 105.19 109.90 2opo n GLY 26 Ca 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.31 0.49 -0.33 1.61 -2.85 -1.26 -5.14 119.74 111.95 2opo s LYS 27 Ca 0.00 -0.46 -0.15 0.00 -1.00 0.00 0.00 55.97 54.37 2opo s LYS 27 Cb 0.00 0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 35.95 2opo s LYS 27 CO 0.00 -0.12 0.35 0.42 0.10 0.00 0.00 175.35 176.10 2opo s ILE 28 N -1.54 5.18 0.68 3.79 -1.09 -1.26 -4.82 121.20 122.15 2opo s ILE 28 Ca -0.14 0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 2opo s ILE 28 Cb -0.07 -3.78 0.06 0.00 -1.58 0.00 0.00 42.46 37.08 2opo s ILE 28 CO 0.01 -0.04 0.98 -0.94 -1.23 0.00 0.00 174.94 173.72 2opo s SER 29 N 1.72 4.90 0.21 3.58 1.04 -1.26 -4.88 113.70 119.01 2opo s SER 29 Ca 0.12 0.41 -0.10 0.00 0.48 0.00 0.00 55.95 56.86 2opo s SER 29 Cb -0.16 -1.10 0.18 0.00 0.10 0.00 0.00 66.02 65.04 2opo s SER 29 CO 0.11 -1.53 1.87 0.28 0.98 0.00 0.00 173.24 174.96 2opo h SER 30 N -0.51 0.84 0.09 7.02 0.02 -1.99 0.12 113.55 119.13 2opo h SER 30 Ca -0.44 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 2opo h SER 30 Cb 1.31 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2opo h SER 30 CO 0.59 0.59 -0.31 0.77 -1.14 0.00 0.00 176.83 177.34 2opo h SER 31 N 0.99 0.34 -0.57 3.07 4.64 -1.99 -1.74 113.55 118.28 2opo h SER 31 Ca 0.29 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 2opo h SER 31 Cb -0.06 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 2opo h SER 31 CO -0.08 0.64 0.06 -0.33 -0.87 0.00 0.00 176.83 176.25 2opo h GLU 32 N 0.29 0.97 -0.34 4.77 5.08 -1.73 -0.21 114.58 123.42 2opo h GLU 32 Ca 0.04 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2opo h GLU 32 Cb 0.70 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2opo h GLU 32 CO 0.05 0.94 0.13 1.25 -1.00 0.00 0.00 179.01 180.39 2opo h LEU 33 N 0.86 0.47 -0.90 1.33 5.85 -0.67 -1.27 115.31 120.98 2opo h LEU 33 Ca 0.17 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2opo h LEU 33 Cb 0.47 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2opo h LEU 33 CO 0.02 0.51 0.59 1.23 -0.34 0.00 0.00 178.44 180.46 2opo h GLY 34 N 0.40 1.26 1.03 3.75 0.00 -1.18 -1.53 103.07 106.81 2opo h GLY 34 Ca 0.11 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2opo h GLY 34 CO -0.01 0.46 0.20 -0.55 0.00 0.00 0.00 176.54 176.64 2opo h ASP 35 N 1.21 0.99 -0.10 0.19 3.32 -0.76 0.02 116.42 121.29 2opo h ASP 35 Ca 0.33 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2opo h ASP 35 Cb -0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 2opo h ASP 35 CO -0.07 0.94 0.07 0.00 -1.72 0.00 0.00 179.24 178.45 2opo h ALA 36 N 1.09 0.13 -0.79 3.45 0.00 -0.84 -2.72 119.26 119.57 2opo h ALA 36 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2opo h ALA 36 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2opo h ALA 36 CO -0.01 -0.38 0.39 -0.07 0.00 0.00 0.00 179.25 179.18 2opo h LEU 37 N 0.14 1.02 -2.33 0.00 3.38 -0.87 -2.58 115.31 114.07 2opo h LEU 37 Ca 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2opo h LEU 37 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2opo h LEU 37 CO -0.01 0.86 -0.04 0.11 0.09 0.00 0.00 178.44 179.45 2opo h LYS 38 N 1.12 0.00 0.00 1.13 1.57 -0.73 -2.01 116.57 117.65 2opo h LYS 38 Ca 0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2opo h LYS 38 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2opo h LYS 38 CO -0.04 0.04 -0.13 1.79 -0.57 0.00 0.00 179.45 180.55 2opo h THR 39 N 0.00 0.46 0.00 -0.16 1.35 -1.16 -2.56 112.91 110.83 2opo h THR 39 Ca -0.00 -0.65 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 2opo h THR 39 Cb 0.17 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2opo h THR 39 CO 0.01 0.12 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.28 2opo h LEU 40 N 0.00 0.00 -2.38 3.87 3.38 -1.50 -2.19 115.31 116.50 2opo h LEU 40 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2opo h LEU 40 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2opo h LEU 40 CO 0.02 0.05 0.18 1.23 0.09 0.00 0.00 178.44 180.01 2opo h GLY 41 N 0.71 0.00 -2.11 0.83 0.00 -1.64 -1.83 103.07 99.02 2opo h GLY 41 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2opo h GLY 41 CO 0.01 0.00 -0.24 -1.14 0.00 0.00 0.00 176.54 175.17 2opo n SER 42 N -3.40 2.81 -4.76 0.19 3.41 -0.82 -5.05 113.62 106.00 2opo n SER 42 Ca -0.01 -3.82 -0.41 0.00 -0.26 0.00 0.00 58.87 54.37 2opo n SER 42 Cb 0.27 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2opo n SER 42 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2opo n VAL 43 N -1.07 2.14 -3.17 -3.33 3.14 -0.69 -4.96 118.33 110.39 2opo n VAL 43 Ca 0.33 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.94 2opo n VAL 43 Cb 0.93 -1.91 -0.02 0.00 -1.06 0.00 0.00 33.84 31.79 2opo n VAL 43 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2opo s THR 44 N -1.13 5.00 0.26 1.55 -4.23 -1.26 -4.93 115.64 110.89 2opo s THR 44 Ca 0.55 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 2opo s THR 44 Cb -0.48 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 69.81 2opo s THR 44 CO 0.63 -0.51 1.70 -0.65 -0.54 0.00 0.00 174.62 175.25 2opo h PRO 45 N 1.12 0.35 -0.76 3.99 0.11 -1.99 0.13 132.00 134.95 2opo h PRO 45 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2opo h PRO 45 Cb 1.20 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2opo h PRO 45 CO 0.64 0.23 0.44 -0.44 -0.21 0.00 0.00 178.00 178.66 2opo h ASP 46 N 0.37 0.93 -0.65 -2.05 3.32 -1.99 -0.47 116.42 115.88 2opo h ASP 46 Ca 0.45 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 2opo h ASP 46 Cb 0.76 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 2opo h ASP 46 CO -0.48 0.74 0.20 -0.33 -1.72 0.00 0.00 179.24 177.65 2opo h GLU 47 N 1.05 1.00 -0.17 3.56 5.08 -1.49 -0.72 114.58 122.89 2opo h GLU 47 Ca 0.27 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2opo h GLU 47 Cb -0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2opo h GLU 47 CO -0.05 0.88 0.11 0.28 -1.00 0.00 0.00 179.01 179.23 2opo h VAL 48 N 0.93 1.05 -0.59 3.13 2.07 -0.74 -0.59 116.25 121.52 2opo h VAL 48 Ca 0.21 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.70 2opo h VAL 48 Cb 0.30 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2opo h VAL 48 CO -0.01 0.05 0.29 -0.09 0.02 0.00 0.00 177.57 177.83 2opo h ARG 49 N 0.22 0.52 -0.25 1.57 2.43 -0.80 0.95 114.38 119.02 2opo h ARG 49 Ca 0.06 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2opo h ARG 49 Cb -0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2opo h ARG 49 CO -0.01 0.34 -0.06 0.00 -1.51 0.00 0.00 179.97 178.73 2opo h ARG 50 N 0.53 0.39 -0.29 0.20 3.08 -0.84 0.17 114.38 117.62 2opo h ARG 50 Ca 0.28 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 2opo h ARG 50 Cb 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2opo h ARG 50 CO -0.21 0.47 -0.33 0.52 -1.07 0.00 0.00 179.97 179.34 2opo h MET 51 N 0.37 0.75 -0.67 0.04 2.86 -0.27 -2.67 114.93 115.34 2opo h MET 51 Ca 0.08 -0.41 0.07 0.00 -2.06 0.00 0.00 59.70 57.38 2opo h MET 51 Cb 0.35 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 2opo h MET 51 CO 0.02 1.03 0.36 0.52 1.06 0.00 0.00 176.91 179.90 2opo h MET 52 N 0.50 0.64 -0.48 1.72 2.86 -0.28 -2.29 114.93 117.59 2opo h MET 52 Ca 0.04 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2opo h MET 52 Cb 0.92 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 2opo h MET 52 CO 0.08 0.42 0.32 0.00 1.06 0.00 0.00 176.91 178.80 2opo h ALA 53 N 1.36 1.80 -0.23 6.32 0.00 -0.43 0.23 119.26 128.31 2opo h ALA 53 Ca 0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 2opo h ALA 53 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2opo h ALA 53 CO -0.20 0.14 -0.44 0.93 0.00 0.00 0.00 179.25 179.68 2opo h GLU 54 N 0.52 0.58 0.00 0.00 4.39 -1.09 -3.39 114.58 115.59 2opo h GLU 54 Ca 0.20 -0.31 -0.30 0.00 0.34 0.00 0.00 59.36 59.29 2opo h GLU 54 Cb 0.14 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 2opo h GLU 54 CO -0.05 0.91 -2.12 -0.89 -1.16 0.00 0.00 179.01 175.70 2opo n ILE 55 N -4.01 1.13 -2.28 3.13 5.41 -0.96 -4.68 119.36 117.10 2opo n ILE 55 Ca -0.02 -0.46 -0.39 0.00 1.00 0.00 0.00 62.75 62.88 2opo n ILE 55 Cb 0.54 -1.14 -0.02 0.00 -0.71 0.00 0.00 39.64 38.31 2opo n ILE 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2opo n ASP 56 N -3.03 4.24 -0.31 4.38 2.03 0.75 -4.77 116.55 119.84 2opo n ASP 56 Ca -0.34 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.13 2opo n ASP 56 Cb 0.89 -1.70 0.18 0.00 -0.72 0.00 0.00 41.12 39.77 2opo n ASP 56 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2opo h THR 57 N 5.47 1.19 -0.01 5.18 2.02 -1.83 -2.95 112.91 121.98 2opo h THR 57 Ca 0.41 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2opo h THR 57 Cb 0.85 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2opo h THR 57 CO 1.48 0.21 -0.19 -0.90 0.37 0.00 0.00 175.52 176.50 2opo n ASP 58 N -4.42 0.86 -0.01 4.18 5.68 -1.26 -4.94 116.55 116.63 2opo n ASP 58 Ca 0.11 -0.82 -0.00 0.00 -0.50 0.00 0.00 54.79 53.58 2opo n ASP 58 Cb 0.07 0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 1.31 0.47 0.00 6.12 0.00 -1.12 -4.88 105.19 107.09 2opo n GLY 59 Ca 0.13 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 0.26 0.00 0.00 1.61 5.75 -1.26 -4.85 116.55 118.05 2opo n ASP 60 Ca -0.00 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 2opo n ASP 60 Cb 0.02 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 1.01 0.78 3.15 6.12 0.00 -1.26 -5.06 105.19 109.93 2opo n GLY 61 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.11 1.02 -0.37 1.61 0.08 -1.26 -5.11 117.98 111.83 2opo s PHE 62 Ca 0.00 -0.57 -0.15 0.00 0.12 0.00 0.00 56.93 56.33 2opo s PHE 62 Cb 0.00 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 2opo s PHE 62 CO 0.00 -0.00 0.32 0.42 -0.10 0.00 0.00 175.22 175.85 2opo s ILE 63 N -1.93 5.22 0.73 0.64 1.01 -1.26 -4.65 121.20 120.95 2opo s ILE 63 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 2opo s ILE 63 Cb -0.06 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2opo s ILE 63 CO 0.01 -0.18 1.08 -0.94 0.00 0.00 0.00 174.94 174.90 2opo s SER 64 N 1.73 5.17 0.23 3.58 1.04 -1.26 -4.86 113.70 119.33 2opo s SER 64 Ca 0.08 1.40 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 2opo s SER 64 Cb -0.18 -2.23 0.22 0.00 0.10 0.00 0.00 66.02 63.94 2opo s SER 64 CO 0.11 -1.55 1.91 0.15 0.98 0.00 0.00 173.24 174.84 2opo h PHE 65 N -0.80 1.16 -0.66 5.02 3.57 -1.98 0.12 116.94 123.36 2opo h PHE 65 Ca -0.45 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.17 2opo h PHE 65 Cb 1.24 -0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 2opo h PHE 65 CO 0.55 0.74 0.29 -0.44 -2.23 0.00 0.00 178.31 177.22 2opo h ASP 66 N 1.24 0.34 -0.59 0.41 3.32 -1.99 0.18 116.42 119.33 2opo h ASP 66 Ca 0.33 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.35 2opo h ASP 66 Cb -0.13 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2opo h ASP 66 CO -0.07 0.19 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.27 2opo h GLU 67 N 0.50 1.07 -0.67 3.56 5.08 -1.64 -1.50 114.58 120.99 2opo h GLU 67 Ca 0.33 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2opo h GLU 67 Cb 0.39 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2opo h GLU 67 CO -0.29 1.07 0.12 0.35 -1.00 0.00 0.00 179.01 179.26 2opo h PHE 68 N 0.97 1.16 -0.78 4.33 3.57 -0.50 -2.43 116.94 123.25 2opo h PHE 68 Ca 0.16 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2opo h PHE 68 Cb 0.61 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2opo h PHE 68 CO 0.04 0.97 0.31 1.15 -2.23 0.00 0.00 178.31 178.54 2opo h THR 69 N 1.02 1.26 -0.51 4.41 2.02 -0.26 -0.24 112.91 120.60 2opo h THR 69 Ca 0.20 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 2opo h THR 69 Cb 0.42 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2opo h THR 69 CO 0.01 0.34 0.29 0.44 0.37 0.00 0.00 175.52 176.96 2opo h ASP 70 N 1.14 0.63 -0.52 4.18 3.32 -0.98 0.11 116.42 124.30 2opo h ASP 70 Ca 0.26 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2opo h ASP 70 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2opo h ASP 70 CO -0.02 0.53 0.30 0.15 -1.72 0.00 0.00 179.24 178.48 2opo h PHE 71 N 0.68 0.70 -0.10 4.55 3.57 -1.15 -3.26 116.94 121.93 2opo h PHE 71 Ca 0.18 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.47 2opo h PHE 71 Cb 0.03 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2opo h PHE 71 CO -0.02 0.50 -0.77 0.00 -2.23 0.00 0.00 178.31 175.79 2opo h ALA 72 N 1.13 0.47 -0.65 2.41 0.00 -0.41 -2.33 119.26 119.88 2opo h ALA 72 Ca 0.18 -0.61 0.10 0.00 0.00 0.00 0.00 54.91 54.58 2opo h ALA 72 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2opo h ALA 72 CO -0.03 0.74 0.43 0.00 0.00 0.00 0.00 179.25 180.39 2opo h ARG 73 N 0.37 0.45 0.00 0.00 3.08 -0.87 -2.59 114.38 114.82 2opo h ARG 73 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2opo h ARG 73 Cb 1.37 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2opo h ARG 73 CO 0.14 0.30 -0.54 0.00 -1.07 0.00 0.00 179.97 178.80 2opo n ALA 74 N -2.51 3.32 -3.15 0.04 0.00 -1.02 -4.26 120.51 112.93 2opo n ALA 74 Ca 0.11 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 2opo n ALA 74 Cb 0.38 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.68 1.38 0.01 0.00 3.02 -0.91 -4.97 115.26 112.11 2opo n ASN 75 Ca 0.05 -3.10 -0.03 0.00 -0.03 0.00 0.00 54.58 51.47 2opo n ASN 75 Cb 0.37 -0.61 0.20 0.00 -0.61 0.00 0.00 39.78 39.13 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 3.07 0.48 -0.09 3.52 3.08 -1.69 -2.29 114.38 120.46 2opo h ARG 76 Ca 0.10 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 2opo h ARG 76 Cb 0.89 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.92 2opo h ARG 76 CO 0.55 0.69 -0.51 0.78 -1.07 0.00 0.00 179.97 180.42 2opo h GLY 77 N 1.01 0.56 0.35 0.04 0.00 -1.93 -0.54 103.07 102.56 2opo h GLY 77 Ca 0.06 -0.80 0.06 0.00 0.00 0.00 0.00 47.33 46.65 2opo h GLY 77 CO 0.05 0.72 -0.12 -2.00 0.00 0.00 0.00 176.54 175.19 2opo h LEU 78 N 0.10 -0.40 -0.52 3.11 5.85 -1.93 -1.89 115.31 119.63 2opo h LEU 78 Ca -0.04 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2opo h LEU 78 Cb 1.16 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2opo h LEU 78 CO 0.10 -0.15 0.20 0.58 -0.34 0.00 0.00 178.44 178.83 2opo h VAL 79 N -0.08 1.22 -0.02 1.05 2.07 -1.31 0.27 116.25 119.45 2opo h VAL 79 Ca 0.14 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.01 2opo h VAL 79 Cb 0.29 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2opo h VAL 79 CO -0.32 0.26 -0.25 0.50 0.02 0.00 0.00 177.57 177.78 2opo h LYS 80 N 0.70 -0.36 0.12 1.57 1.63 -0.97 -1.86 116.57 117.40 2opo h LYS 80 Ca 0.17 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2opo h LYS 80 Cb 0.21 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2opo h LYS 80 CO -0.01 -0.24 -0.06 -0.44 -3.45 0.00 0.00 179.45 175.25 2opo h ASP 81 N -0.37 -0.14 -1.00 4.20 3.32 -0.97 -2.76 116.42 118.69 2opo h ASP 81 Ca 0.07 -0.18 0.14 0.00 0.02 0.00 0.00 57.03 57.08 2opo h ASP 81 Cb 0.47 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.96 2opo h ASP 81 CO -0.24 0.10 0.63 0.58 -1.72 0.00 0.00 179.24 178.59 2opo h VAL 82 N -0.38 0.86 0.00 -1.35 2.07 -0.51 -2.76 116.25 114.18 2opo h VAL 82 Ca -0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2opo h VAL 82 Cb 0.31 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2opo h VAL 82 CO 0.03 0.17 0.01 -0.24 0.02 0.00 0.00 177.57 177.55 2opo n SER 83 N -4.65 0.00 -0.03 0.57 2.88 -0.70 -1.30 113.62 110.38 2opo n SER 83 Ca 0.20 0.19 0.02 0.00 -1.33 0.00 0.00 58.87 57.95 2opo n SER 83 Cb 0.42 -0.19 -0.12 0.00 -0.75 0.00 0.00 64.21 63.57 2opo n SER 83 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2opo n LYS 84 N -1.18 0.92 0.06 -1.46 5.02 -1.04 -4.19 118.16 116.30 2opo n LYS 84 Ca 0.00 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.07 2opo n LYS 84 Cb 0.01 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2opo n LYS 84 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2opo h ILE 85 N 0.00 1.40 -0.02 -0.18 2.04 -1.34 -3.53 117.51 115.88 2opo h ILE 85 Ca -0.16 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.32 2opo h ILE 85 Cb 1.21 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 2opo h ILE 85 CO 0.01 0.71 0.00 0.49 0.00 0.00 0.00 178.15 179.36