#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv n GLN 6 N 0.00 0.26 -0.09 1.61 1.13 -1.26 -3.44 117.38 115.58 2opv n GLN 6 Ca 0.00 0.06 -0.15 0.00 -1.94 0.00 0.00 57.00 54.97 2opv n GLN 6 Cb 0.00 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.79 2opv n GLN 6 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2opv n PHE 7 N -1.34 0.67 0.00 1.08 3.72 -1.26 -4.19 117.46 116.14 2opv n PHE 7 Ca 0.10 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 2opv n PHE 7 Cb 0.22 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 2opv n PHE 7 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2opv n HIS 8 N -4.48 0.00 0.13 1.38 -0.00 -1.22 -3.74 115.22 107.28 2opv n HIS 8 Ca -0.23 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.95 2opv n HIS 8 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2opv n HIS 8 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2opv n ASP 9 N 2.65 -2.25 0.05 0.26 5.75 -1.26 -4.70 116.55 117.05 2opv n ASP 9 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 2opv n ASP 9 Cb 0.00 2.30 0.00 0.00 -1.03 0.00 0.00 41.12 42.39 2opv n ASP 9 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2opv n ASN 10 N -3.03 0.18 -3.69 -1.12 2.85 -1.25 -2.15 115.26 107.05 2opv n ASN 10 Ca 0.00 0.17 -0.19 0.00 -0.11 0.00 0.00 54.58 54.45 2opv n ASN 10 Cb 0.00 0.05 -0.18 0.00 1.24 0.00 0.00 39.78 40.89 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2opv s ALA 11 N -2.00 0.19 -0.73 5.20 0.00 -1.26 -4.07 121.76 119.09 2opv s ALA 11 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.05 2opv s ALA 11 Cb 0.00 -0.57 0.19 0.00 0.00 0.00 0.00 23.12 22.74 2opv s ALA 11 CO 0.00 -0.43 0.67 1.21 0.00 0.00 0.00 175.76 177.21 2opv s ASN 12 N 2.00 6.53 0.00 0.00 2.47 -0.57 -4.86 114.94 120.50 2opv s ASN 12 Ca 0.03 -2.41 0.00 0.00 0.42 0.00 0.00 52.86 50.90 2opv s ASN 12 Cb -0.12 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 2opv s ASN 12 CO -0.03 -0.66 0.00 0.61 -3.72 0.00 0.00 177.10 173.30 2opv n GLY 13 N 4.36 1.89 0.00 1.21 0.00 -1.26 -3.34 105.19 108.05 2opv n GLY 13 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2opv n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 14 N 0.00 -0.24 3.34 -0.02 0.00 -1.26 -5.05 105.19 101.96 2opv n GLY 14 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2opv n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2opv s GLN 15 N -0.22 2.26 -0.20 1.61 -1.52 -1.21 -5.11 119.66 115.27 2opv s GLN 15 Ca 0.00 -0.88 -0.09 0.00 -1.95 0.00 0.00 55.36 52.44 2opv s GLN 15 Cb 0.00 -2.13 -0.05 0.00 -0.22 0.00 0.00 33.01 30.61 2opv s GLN 15 CO 0.00 0.54 0.12 -0.80 -0.25 0.00 0.00 175.29 174.90 2opv s ASN 16 N -0.56 6.05 0.00 5.90 -0.87 -1.26 -1.52 114.94 122.68 2opv s ASN 16 Ca 0.08 0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2opv s ASN 16 Cb -0.11 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 2opv s ASN 16 CO 0.00 0.16 0.00 0.61 -2.57 0.00 0.00 177.10 175.30 2opv n GLY 17 N 3.63 1.74 3.77 0.66 0.00 -1.25 -4.93 105.19 108.82 2opv n GLY 17 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2opv n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opv s THR 18 N 0.00 5.31 -0.02 2.61 2.01 0.55 -4.87 115.64 121.24 2opv s THR 18 Ca 0.00 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.50 2opv s THR 18 Cb 0.00 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.93 2opv s THR 18 CO 0.00 0.46 -0.02 0.54 -0.69 0.00 0.00 174.62 174.91 2opv s VAL 19 N -0.00 0.24 0.24 3.82 0.11 -1.25 -0.50 120.40 123.05 2opv s VAL 19 Ca 0.16 -0.04 0.11 0.00 -2.93 0.00 0.00 61.98 59.28 2opv s VAL 19 Cb -0.13 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 2opv s VAL 19 CO 0.05 0.11 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.62 2opv s GLN 20 N 0.46 1.56 -0.26 1.54 -0.21 -0.95 -4.94 119.66 116.86 2opv s GLN 20 Ca -0.05 -1.65 0.02 0.00 0.02 0.00 0.00 55.36 53.70 2opv s GLN 20 Cb -0.08 -1.69 0.07 0.00 1.00 0.00 0.00 33.01 32.32 2opv s GLN 20 CO -0.01 0.33 -0.04 -1.21 -2.12 0.00 0.00 175.29 172.25 2opv s GLU 21 N -3.21 1.65 -0.08 2.91 2.02 -1.25 -1.60 118.70 119.15 2opv s GLU 21 Ca 0.25 -1.20 -0.07 0.00 0.02 0.00 0.00 54.97 53.96 2opv s GLU 21 Cb -0.06 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 2opv s GLU 21 CO 0.12 -0.67 0.19 0.42 0.02 0.00 0.00 175.26 175.33 2opv s ILE 22 N 1.28 5.43 -0.68 -1.63 -1.09 0.33 -4.86 121.20 119.97 2opv s ILE 22 Ca -0.03 0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.52 2opv s ILE 22 Cb -0.19 -3.46 0.18 0.00 -1.58 0.00 0.00 42.46 37.40 2opv s ILE 22 CO -0.08 0.57 0.59 -0.04 -1.23 0.00 0.00 174.94 174.75 2opv s MET 23 N -1.18 3.14 0.04 2.79 -1.94 -1.26 -0.53 119.30 120.36 2opv s MET 23 Ca 0.18 -2.20 -0.28 0.00 -1.71 0.00 0.00 55.69 51.68 2opv s MET 23 Cb -0.13 -4.22 -0.05 0.00 2.01 0.00 0.00 34.83 32.45 2opv s MET 23 CO 0.08 -1.27 0.89 0.42 -0.01 0.00 0.00 175.02 175.13 2opv s ILE 24 N 0.64 4.74 0.20 2.53 -1.09 -0.68 -4.70 121.20 122.83 2opv s ILE 24 Ca 0.13 1.89 -0.32 0.00 -2.23 0.00 0.00 60.65 60.11 2opv s ILE 24 Cb -0.19 -4.24 -0.14 0.00 -1.58 0.00 0.00 42.46 36.31 2opv s ILE 24 CO -0.04 0.27 1.32 -2.65 -1.23 0.00 0.00 174.94 172.61 2opv n PRO 25 N 3.26 1.65 0.07 2.79 -0.02 -1.26 -0.03 135.00 141.46 2opv n PRO 25 Ca 0.02 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.14 2opv n PRO 25 Cb 0.50 -2.19 0.48 0.00 -0.02 0.00 0.00 33.50 32.27 2opv n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2opv h ALA 26 N 4.02 1.78 0.00 3.55 0.00 -1.66 0.65 119.26 127.59 2opv h ALA 26 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2opv h ALA 26 Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2opv h ALA 26 CO 0.74 0.21 0.00 0.78 0.00 0.00 0.00 179.25 180.98 2opv h GLY 27 N 0.42 0.00 -1.98 0.00 0.00 -1.90 -2.59 103.07 97.02 2opv h GLY 27 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2opv h GLY 27 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 2opv n LYS 28 N -3.05 3.05 0.14 4.80 4.01 0.17 -4.49 118.16 122.80 2opv n LYS 28 Ca 0.00 -2.47 0.05 0.00 -0.51 0.00 0.00 58.31 55.38 2opv n LYS 28 Cb 0.26 -1.55 0.49 0.00 -0.51 0.00 0.00 35.03 33.73 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2opv h ALA 29 N 2.88 1.74 0.00 7.82 0.00 -1.01 -1.35 119.26 129.34 2opv h ALA 29 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2opv h ALA 29 Cb 1.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2opv h ALA 29 CO 0.08 0.20 -0.04 0.78 0.00 0.00 0.00 179.25 180.28 2opv h GLY 30 N 0.42 0.00 0.14 0.00 0.00 -1.81 -0.29 103.07 101.54 2opv h GLY 30 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 2opv h GLY 30 CO -0.00 0.00 -0.82 1.41 0.00 0.00 0.00 176.54 177.13 2opv h LEU 31 N 0.00 0.09 -0.95 3.11 3.38 -1.59 0.53 115.31 119.88 2opv h LEU 31 Ca -0.00 -0.77 -0.10 0.00 0.09 0.00 0.00 57.88 57.10 2opv h LEU 31 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2opv h LEU 31 CO 0.01 1.34 -0.32 -0.37 0.09 0.00 0.00 178.44 179.19 2opv h VAL 32 N -0.84 1.28 0.15 1.22 -1.51 -1.39 -2.77 116.25 112.38 2opv h VAL 32 Ca -0.21 -1.35 -0.29 0.00 -1.23 0.00 0.00 66.70 63.62 2opv h VAL 32 Cb 1.30 1.49 0.01 0.00 -2.13 0.00 0.00 31.29 31.96 2opv h VAL 32 CO -0.07 0.42 -1.31 0.40 -1.23 0.00 0.00 177.57 175.78 2opv h ILE 33 N 0.32 1.43 -0.55 7.19 2.04 -1.20 -3.35 117.51 123.39 2opv h ILE 33 Ca 0.04 -2.98 0.00 0.00 1.00 0.00 0.00 64.86 62.92 2opv h ILE 33 Cb 0.72 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2opv h ILE 33 CO 0.06 0.87 0.00 0.61 0.00 0.00 0.00 178.15 179.69 2opv n GLY 34 N 1.58 0.57 4.02 5.37 0.00 -0.37 -2.20 105.19 114.16 2opv n GLY 34 Ca -0.11 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2opv n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2opv n LYS 35 N -0.28 -4.35 0.00 1.61 5.02 0.17 -1.73 118.16 118.61 2opv n LYS 35 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2opv n LYS 35 Cb 0.13 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2opv n GLY 36 N -1.61 1.51 0.00 0.72 0.00 -1.26 -4.71 105.19 99.84 2opv n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2opv n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 37 N 0.00 1.28 0.10 -0.02 0.00 -0.80 -5.02 105.19 100.72 2opv n GLY 37 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2opv n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opv h GLU 38 N 0.81 0.17 -0.37 1.61 5.08 -1.42 -3.09 114.58 117.37 2opv h GLU 38 Ca 0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2opv h GLU 38 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2opv h GLU 38 CO 0.00 0.93 0.01 1.15 -1.00 0.00 0.00 179.01 180.10 2opv h THR 39 N -0.51 1.26 -0.59 1.13 2.02 -1.65 -2.16 112.91 112.40 2opv h THR 39 Ca -0.03 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 2opv h THR 39 Cb 1.03 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 2opv h THR 39 CO 0.05 0.33 0.37 -0.29 0.37 0.00 0.00 175.52 176.34 2opv h ILE 40 N 0.47 1.16 -0.83 3.11 2.10 -1.57 0.47 117.51 122.42 2opv h ILE 40 Ca 0.11 -0.34 -0.01 0.00 1.08 0.00 0.00 64.86 65.70 2opv h ILE 40 Cb 0.45 0.32 -0.04 0.00 -1.09 0.00 0.00 36.82 36.46 2opv h ILE 40 CO 0.02 0.17 0.48 0.50 -1.08 0.00 0.00 178.15 178.24 2opv h LYS 41 N 0.81 1.13 -0.05 2.19 3.64 -1.41 -3.03 116.57 119.85 2opv h LYS 41 Ca 0.21 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 2opv h LYS 41 Cb -0.05 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.54 2opv h LYS 41 CO -0.04 0.81 -0.53 1.96 -2.27 0.00 0.00 179.45 179.38 2opv h GLN 42 N 1.14 0.45 -0.41 1.90 4.20 -0.38 -3.28 115.11 118.74 2opv h GLN 42 Ca 0.29 -0.41 0.08 0.00 0.06 0.00 0.00 58.65 58.67 2opv h GLN 42 Cb -0.02 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.79 2opv h GLN 42 CO -0.05 1.06 -0.10 -0.07 -0.67 0.00 0.00 178.83 179.00 2opv h LEU 43 N -0.02 -0.37 0.76 1.46 3.38 -0.09 0.14 115.31 120.57 2opv h LEU 43 Ca -0.05 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2opv h LEU 43 Cb 1.20 0.25 0.01 0.00 0.09 0.00 0.00 40.66 42.21 2opv h LEU 43 CO 0.11 -0.13 -0.37 1.56 0.09 0.00 0.00 178.44 179.70 2opv h GLN 44 N 0.00 -0.99 0.00 1.13 4.20 -1.64 -2.41 115.11 115.41 2opv h GLN 44 Ca 0.19 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 2opv h GLN 44 Cb 0.30 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2opv h GLN 44 CO -0.41 -0.66 -0.16 0.93 -0.67 0.00 0.00 178.83 177.86 2opv h GLU 45 N -1.03 0.00 0.04 1.46 5.08 -1.56 0.61 114.58 119.18 2opv h GLU 45 Ca -0.10 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.03 2opv h GLU 45 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2opv h GLU 45 CO 0.17 0.16 -1.00 0.07 -1.00 0.00 0.00 179.01 177.41 2opv h ARG 46 N 0.00 0.22 0.00 2.33 0.11 -0.71 -3.31 114.38 113.02 2opv h ARG 46 Ca -0.00 -0.29 -0.24 0.00 0.10 0.00 0.00 59.98 59.55 2opv h ARG 46 Cb 0.89 0.09 -0.04 0.00 1.11 0.00 0.00 29.97 32.02 2opv h ARG 46 CO 0.02 1.05 -1.49 0.00 0.10 0.00 0.00 179.97 179.65 2opv h ALA 47 N 0.84 0.69 0.00 0.08 0.00 -1.19 -3.48 119.26 116.19 2opv h ALA 47 Ca -0.07 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2opv h ALA 47 Cb 1.68 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2opv h ALA 47 CO 0.16 1.35 0.00 0.41 0.00 0.00 0.00 179.25 181.16 2opv n GLY 48 N 1.47 0.97 3.54 0.00 0.00 0.13 -4.85 105.19 106.45 2opv n GLY 48 Ca -0.12 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2opv n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2opv s VAL 49 N -2.00 0.50 -0.17 1.61 -7.23 -0.73 -4.24 120.40 108.13 2opv s VAL 49 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2opv s VAL 49 Cb 0.00 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2opv s VAL 49 CO 0.00 0.00 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.97 2opv s LYS 50 N -3.65 3.46 -0.11 4.82 2.36 -0.80 -4.27 119.74 121.54 2opv s LYS 50 Ca 0.21 -0.62 0.00 0.00 -2.55 0.00 0.00 55.97 53.01 2opv s LYS 50 Cb 0.01 -2.85 -0.02 0.00 -1.05 0.00 0.00 37.83 33.92 2opv s LYS 50 CO 0.15 0.06 -0.12 -1.64 1.55 0.00 0.00 175.35 175.35 2opv s MET 51 N 0.79 3.23 -0.23 4.03 -1.94 -1.26 -0.23 119.30 123.69 2opv s MET 51 Ca -0.03 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 2opv s MET 51 Cb -0.15 -2.62 0.05 0.00 2.01 0.00 0.00 34.83 34.12 2opv s MET 51 CO 0.01 0.32 -0.14 -1.50 -0.01 0.00 0.00 175.02 173.70 2opv s ILE 52 N 0.09 2.09 -0.57 2.53 2.07 -0.62 -4.99 121.20 121.80 2opv s ILE 52 Ca -0.05 -1.36 -0.23 0.00 -1.41 0.00 0.00 60.65 57.60 2opv s ILE 52 Cb -0.14 -2.10 0.05 0.00 0.13 0.00 0.00 42.46 40.40 2opv s ILE 52 CO 0.04 0.17 0.87 -0.76 -1.91 0.00 0.00 174.94 173.35 2opv s LEU 53 N 1.19 4.39 -0.86 8.50 2.01 -1.26 -2.26 118.68 130.39 2opv s LEU 53 Ca -0.04 -0.65 -0.19 0.00 0.01 0.00 0.00 54.13 53.26 2opv s LEU 53 Cb -0.17 -2.63 0.13 0.00 0.01 0.00 0.00 46.19 43.52 2opv s LEU 53 CO -0.08 -1.20 1.03 -0.63 1.01 0.00 0.00 176.35 176.47 2opv s ILE 54 N 3.66 4.80 -2.43 -0.59 1.01 -0.09 -4.81 121.20 122.75 2opv s ILE 54 Ca 0.25 -1.50 0.22 0.00 0.00 0.00 0.00 60.65 59.62 2opv s ILE 54 Cb -0.15 -4.70 0.42 0.00 0.01 0.00 0.00 42.46 38.04 2opv s ILE 54 CO 0.15 -1.41 1.47 0.00 0.00 0.00 0.00 174.94 175.15 2opv n GLN 55 N 6.34 2.11 0.00 2.79 3.00 -1.26 -3.69 117.38 126.66 2opv n GLN 55 Ca 0.17 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 2opv n GLN 55 Cb 0.48 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.27 2opv n GLN 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2opv n ASP 56 N 0.90 0.05 -4.38 1.08 2.03 -1.26 -4.85 116.55 110.11 2opv n ASP 56 Ca 0.17 0.01 -0.43 0.00 0.52 0.00 0.00 54.79 55.07 2opv n ASP 56 Cb 0.47 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2opv n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2opv n GLY 57 N 2.72 3.14 0.00 0.27 0.00 -1.26 -3.49 105.19 106.57 2opv n GLY 57 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2opv n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2opv n SER 58 N 7.30 0.00 0.00 1.61 2.88 -1.26 -4.99 113.62 119.16 2opv n SER 58 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2opv n SER 58 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2opv n GLN 59 N -0.72 0.00 -0.61 -1.46 6.02 -1.23 -4.64 117.38 114.75 2opv n GLN 59 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 2opv n GLN 59 Cb 0.00 -2.27 0.33 0.00 1.02 0.00 0.00 30.24 29.32 2opv n GLN 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2opv n ASN 60 N 0.00 4.64 0.23 1.08 4.13 -1.26 -4.60 115.26 119.47 2opv n ASN 60 Ca 0.00 -2.66 0.15 0.00 1.68 0.00 0.00 54.58 53.75 2opv n ASN 60 Cb 0.00 -0.56 0.46 0.00 -1.54 0.00 0.00 39.78 38.14 2opv n ASN 60 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2opv h THR 61 N 3.33 0.00 0.00 3.41 1.35 -1.82 0.11 112.91 119.29 2opv h THR 61 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2opv h THR 61 Cb 1.52 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2opv h THR 61 CO 0.27 0.00 0.00 -1.13 -0.25 0.00 0.00 175.52 174.41 2opv h ASN 62 N 0.00 0.00 0.00 5.36 -0.00 -1.89 -3.35 115.58 115.70 2opv h ASN 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2opv h ASN 62 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.00 2opv h ASN 62 CO 0.00 0.00 -0.42 0.52 -0.00 0.00 0.00 177.43 177.53 2opv n VAL 63 N -2.64 0.84 -4.29 2.57 0.31 -0.36 -4.81 118.33 109.94 2opv n VAL 63 Ca 0.01 0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 64.38 2opv n VAL 63 Cb 0.24 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 2opv n VAL 63 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2opv s ASP 64 N -5.25 4.38 -0.37 4.52 1.01 0.26 -1.78 116.67 119.43 2opv s ASP 64 Ca -0.12 -0.79 0.04 0.00 0.71 0.00 0.00 52.55 52.39 2opv s ASP 64 Cb 0.02 -0.70 0.11 0.00 1.01 0.00 0.00 42.92 43.36 2opv s ASP 64 CO 0.18 -0.10 0.09 -0.54 0.21 0.00 0.00 175.17 175.01 2opv s LYS 65 N -3.69 1.49 -0.20 8.23 -0.14 0.96 -3.80 119.74 122.59 2opv s LYS 65 Ca 0.33 -1.93 -0.34 0.00 -1.36 0.00 0.00 55.97 52.67 2opv s LYS 65 Cb -0.04 -3.12 -0.11 0.00 -1.68 0.00 0.00 37.83 32.88 2opv s LYS 65 CO 0.20 -0.97 2.02 -2.30 -0.76 0.00 0.00 175.35 173.53 2opv n PRO 66 N 4.11 1.76 -4.05 -1.68 -0.02 -1.24 -1.69 135.00 132.19 2opv n PRO 66 Ca 0.04 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 2opv n PRO 66 Cb 0.40 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.08 2opv n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2opv s LEU 67 N 5.64 3.07 -0.34 2.45 2.96 0.31 -0.91 118.68 131.85 2opv s LEU 67 Ca 0.99 -1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 2opv s LEU 67 Cb -0.71 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.43 2opv s LEU 67 CO 0.49 -0.13 0.18 -0.13 -1.32 0.00 0.00 176.35 175.44 2opv s ARG 68 N 1.20 3.09 -0.44 1.98 0.52 -0.96 -0.51 118.95 123.84 2opv s ARG 68 Ca -0.03 -0.89 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 2opv s ARG 68 Cb -0.17 -3.65 0.03 0.00 0.52 0.00 0.00 34.95 31.67 2opv s ARG 68 CO -0.07 -0.55 0.51 0.42 0.02 0.00 0.00 175.30 175.63 2opv s ILE 69 N 1.59 5.00 -0.14 1.52 1.09 -0.62 -1.59 121.20 128.04 2opv s ILE 69 Ca 0.03 -0.26 -0.01 0.00 -1.10 0.00 0.00 60.65 59.31 2opv s ILE 69 Cb -0.18 -4.11 -0.02 0.00 -1.06 0.00 0.00 42.46 37.09 2opv s ILE 69 CO 0.07 -0.51 -0.10 -0.63 -0.10 0.00 0.00 174.94 173.66 2opv s ILE 70 N 2.36 3.30 0.00 2.92 1.01 0.68 -2.25 121.20 129.22 2opv s ILE 70 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2opv s ILE 70 Cb -0.17 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2opv s ILE 70 CO 0.15 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.21 2opv n GLY 71 N 3.63 -0.14 3.74 6.18 0.00 0.35 -1.90 105.19 117.06 2opv n GLY 71 Ca -0.18 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 2opv n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2opv s ASP 72 N -4.00 7.11 0.55 1.61 2.15 -0.92 -0.33 116.67 122.85 2opv s ASP 72 Ca 0.00 1.33 0.26 0.00 0.43 0.00 0.00 52.55 54.57 2opv s ASP 72 Cb 0.00 -2.44 1.46 0.00 -0.30 0.00 0.00 42.92 41.64 2opv s ASP 72 CO 0.00 -0.01 2.03 -0.65 -0.17 0.00 0.00 175.17 176.37 2opv h PRO 73 N 5.99 0.00 0.10 4.34 0.11 -1.94 0.54 132.00 141.13 2opv h PRO 73 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2opv h PRO 73 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2opv h PRO 73 CO 0.72 0.00 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.54 2opv h TYR 74 N 0.00 -0.13 0.00 0.65 3.20 -1.99 -2.81 116.97 115.89 2opv h TYR 74 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2opv h TYR 74 Cb 0.79 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2opv h TYR 74 CO 0.00 0.35 0.00 1.57 -1.64 0.00 0.00 178.16 178.44 2opv h LYS 75 N -0.91 0.00 -0.33 1.82 2.10 -1.76 -1.79 116.57 115.69 2opv h LYS 75 Ca -0.01 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.49 2opv h LYS 75 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2opv h LYS 75 CO 0.02 0.00 -0.37 0.28 -2.00 0.00 0.00 179.45 177.38 2opv h VAL 76 N 0.00 1.28 -0.04 0.07 2.07 -0.05 0.12 116.25 119.71 2opv h VAL 76 Ca 0.00 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 2opv h VAL 76 Cb 0.93 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2opv h VAL 76 CO 0.00 0.50 -0.08 -0.61 0.02 0.00 0.00 177.57 177.40 2opv h GLN 77 N 0.64 0.13 -0.81 1.57 -0.00 -1.30 -1.33 115.11 114.00 2opv h GLN 77 Ca 0.06 -0.08 0.03 0.00 -0.00 0.00 0.00 58.65 58.65 2opv h GLN 77 Cb 0.92 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.37 2opv h GLN 77 CO 0.08 0.67 0.54 1.96 0.00 0.00 0.00 178.83 182.08 2opv h GLN 78 N -0.40 0.99 -0.71 1.69 4.20 -1.36 -0.58 115.11 118.96 2opv h GLN 78 Ca 0.00 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2opv h GLN 78 Cb 0.66 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2opv h GLN 78 CO 0.02 0.66 0.17 0.00 -0.67 0.00 0.00 178.83 179.00 2opv h ALA 79 N 1.52 0.93 -0.03 3.87 0.00 -0.60 0.33 119.26 125.28 2opv h ALA 79 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2opv h ALA 79 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2opv h ALA 79 CO -0.09 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2opv h GLU 81 N -0.22 0.00 -0.00 0.00 -0.00 -0.99 -0.16 114.58 113.21 2opv h GLU 81 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.35 2opv h GLU 81 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 2opv h GLU 81 CO 0.00 0.00 -0.08 1.98 -0.00 0.00 0.00 179.01 180.91 2opv h MET 82 N 0.00 0.06 -0.34 1.06 4.05 -0.05 0.15 114.93 119.85 2opv h MET 82 Ca 0.00 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 2opv h MET 82 Cb 0.60 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 2opv h MET 82 CO 0.00 0.83 -0.20 -0.39 0.23 0.00 0.00 176.91 177.37 2opv h VAL 83 N -0.68 1.26 0.00 -5.77 -1.51 -0.75 -0.91 116.25 107.89 2opv h VAL 83 Ca -0.01 -1.26 -0.10 0.00 -1.23 0.00 0.00 66.70 64.11 2opv h VAL 83 Cb 0.85 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2opv h VAL 83 CO 0.02 0.41 -0.47 0.24 -1.23 0.00 0.00 177.57 176.54 2opv h MET 84 N 0.58 0.00 -0.31 5.19 2.86 -1.10 -2.72 114.93 119.42 2opv h MET 84 Ca 0.09 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2opv h MET 84 Cb 0.66 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2opv h MET 84 CO 0.05 0.47 0.06 0.22 1.06 0.00 0.00 176.91 178.77 2opv h ASP 85 N 0.00 0.49 -0.82 1.22 3.58 0.08 -0.26 116.42 120.71 2opv h ASP 85 Ca -0.00 -0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.28 2opv h ASP 85 Cb 0.96 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.83 2opv h ASP 85 CO 0.06 0.61 0.53 0.40 -2.88 0.00 0.00 179.24 177.96 2opv h ILE 86 N 0.35 0.99 -0.01 2.25 2.04 -1.03 -0.18 117.51 121.91 2opv h ILE 86 Ca 0.10 -0.28 -0.22 0.00 1.00 0.00 0.00 64.86 65.45 2opv h ILE 86 Cb 0.32 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2opv h ILE 86 CO 0.00 0.15 -0.93 -0.07 0.00 0.00 0.00 178.15 177.30 2opv h LEU 87 N 0.81 0.54 -0.10 1.44 3.38 -1.15 -3.16 115.31 117.06 2opv h LEU 87 Ca 0.37 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2opv h LEU 87 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2opv h LEU 87 CO -0.14 1.22 -0.02 0.08 0.09 0.00 0.00 178.44 179.67 2opv h ARG 88 N 0.24 0.00 -0.02 1.13 0.11 -0.45 -3.52 114.38 111.88 2opv h ARG 88 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2opv h ARG 88 Cb 1.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 2opv h ARG 88 CO 0.16 0.02 0.00 -1.91 0.10 0.00 0.00 179.97 178.34