#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 1.12 -0.98 1.61 6.02 -1.26 -4.72 117.38 119.17 2opv n GLN 6 Ca 0.00 -0.26 0.03 0.00 -0.01 0.00 0.00 57.00 56.76 2opv n GLN 6 Cb 0.00 -1.10 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 2opv n GLN 6 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2opv n PHE 7 N 0.86 -2.68 0.00 1.08 3.72 -1.26 -5.09 117.46 114.09 2opv n PHE 7 Ca 0.05 1.46 0.00 0.00 -0.05 0.00 0.00 57.45 58.91 2opv n PHE 7 Cb 0.55 -2.43 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 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 -2.59 -0.86 0.00 1.38 -0.00 -1.26 -5.03 115.22 106.87 2opv n HIS 8 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2opv n HIS 8 Cb 0.35 0.20 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 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 -1.59 0.00 0.00 0.26 5.75 -1.26 -5.03 116.55 114.68 2opv n ASP 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2opv n ASP 9 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.00 0.00 -4.21 -1.12 2.85 -1.26 -4.61 115.26 106.92 2opv n ASN 10 Ca 0.00 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.11 2opv n ASN 10 Cb 0.00 0.00 -0.13 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 0.00 2.90 0.35 5.20 0.00 -1.26 -3.33 121.76 125.62 2opv s ALA 11 Ca 0.00 -1.76 0.05 0.00 0.00 0.00 0.00 51.96 50.25 2opv s ALA 11 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 2opv s ALA 11 CO 0.00 -1.30 0.21 0.54 0.00 0.00 0.00 175.76 175.21 2opv s ASN 12 N 1.31 2.00 0.03 0.00 4.22 -1.25 -4.86 114.94 116.40 2opv s ASN 12 Ca -0.04 -1.69 0.00 0.00 -2.14 0.00 0.00 52.86 48.99 2opv s ASN 12 Cb -0.20 0.52 0.00 0.00 1.28 0.00 0.00 41.25 42.85 2opv s ASN 12 CO 0.00 -0.99 0.00 0.61 -2.04 0.00 0.00 177.10 174.68 2opv n GLY 13 N -0.71 2.02 1.52 0.45 0.00 -1.26 -3.48 105.19 103.73 2opv n GLY 13 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.67 3.44 -0.02 0.00 -1.26 -4.28 105.19 101.40 2opv n GLY 14 Ca 0.00 0.43 -0.44 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 3.08 0.00 1.61 -0.21 -1.26 -4.79 119.66 116.09 2opv s GLN 15 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.43 2opv s GLN 15 Cb 0.00 -4.07 0.00 0.00 1.00 0.00 0.00 33.01 29.94 2opv s GLN 15 CO 0.00 -1.07 0.00 0.09 -2.12 0.00 0.00 175.29 172.19 2opv n ASN 16 N 5.78 0.00 0.00 5.90 3.02 -1.26 -4.77 115.26 123.93 2opv n ASN 16 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2opv n ASN 16 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2opv n GLY 17 N 0.00 -0.25 3.66 7.41 0.00 -1.23 -3.80 105.19 110.99 2opv n GLY 17 Ca 0.00 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.04 5.28 -0.03 2.61 2.01 0.15 -4.85 115.64 117.76 2opv s THR 18 Ca 0.00 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 2opv s THR 18 Cb 0.00 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 69.08 2opv s THR 18 CO 0.00 0.37 0.07 0.54 -0.69 0.00 0.00 174.62 174.92 2opv s VAL 19 N 0.90 -0.02 0.24 3.82 0.11 -1.25 -0.28 120.40 123.91 2opv s VAL 19 Ca 0.07 0.07 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 2opv s VAL 19 Cb -0.13 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2opv s VAL 19 CO 0.03 0.03 -0.01 -1.10 -3.33 0.00 0.00 175.10 170.72 2opv s GLN 20 N 0.44 2.29 -0.20 1.54 -0.21 -1.06 -4.93 119.66 117.53 2opv s GLN 20 Ca -0.03 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 53.99 2opv s GLN 20 Cb -0.05 -2.19 0.05 0.00 1.00 0.00 0.00 33.01 31.82 2opv s GLN 20 CO -0.02 0.38 -0.08 -1.21 -2.12 0.00 0.00 175.29 172.24 2opv s GLU 21 N -3.49 1.85 -0.11 2.91 2.02 -1.24 -1.85 118.70 118.78 2opv s GLU 21 Ca 0.30 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 2opv s GLU 21 Cb -0.07 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2opv s GLU 21 CO 0.19 -0.47 0.05 0.42 0.02 0.00 0.00 175.26 175.47 2opv s ILE 22 N 1.43 4.68 -0.92 -1.63 -1.09 -0.54 -4.86 121.20 118.26 2opv s ILE 22 Ca -0.02 -0.10 -0.21 0.00 -2.23 0.00 0.00 60.65 58.09 2opv s ILE 22 Cb -0.17 -3.02 0.10 0.00 -1.58 0.00 0.00 42.46 37.79 2opv s ILE 22 CO -0.08 0.58 1.21 -0.04 -1.23 0.00 0.00 174.94 175.39 2opv s MET 23 N -0.65 3.53 -0.08 2.79 -1.94 -1.26 -1.69 119.30 119.99 2opv s MET 23 Ca 0.11 -1.40 -0.30 0.00 -1.71 0.00 0.00 55.69 52.39 2opv s MET 23 Cb -0.12 -4.95 -0.02 0.00 2.01 0.00 0.00 34.83 31.76 2opv s MET 23 CO 0.02 -1.93 1.01 0.42 -0.01 0.00 0.00 175.02 174.53 2opv s ILE 24 N 3.66 4.78 0.23 2.53 -1.09 0.15 -4.70 121.20 126.76 2opv s ILE 24 Ca 0.36 2.03 -0.31 0.00 -2.23 0.00 0.00 60.65 60.50 2opv s ILE 24 Cb -0.05 -4.31 -0.14 0.00 -1.58 0.00 0.00 42.46 36.38 2opv s ILE 24 CO -0.07 0.04 1.26 -2.65 -1.23 0.00 0.00 174.94 172.29 2opv n PRO 25 N 4.79 1.65 -0.02 2.79 -0.02 -1.26 -0.32 135.00 142.61 2opv n PRO 25 Ca 0.08 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 2opv n PRO 25 Cb 0.49 -2.14 0.49 0.00 -0.02 0.00 0.00 33.50 32.32 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 3.46 1.92 0.00 3.55 0.00 -1.87 0.14 119.26 126.46 2opv h ALA 26 Ca -0.44 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 2opv h ALA 26 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2opv h ALA 26 CO 0.70 -0.00 -1.13 0.78 0.00 0.00 0.00 179.25 179.60 2opv h GLY 27 N 0.41 0.00 1.82 0.00 0.00 -1.91 -3.24 103.07 100.15 2opv h GLY 27 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2opv h GLY 27 CO -0.05 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.77 2opv n LYS 28 N -3.25 0.17 0.27 4.80 4.01 -0.03 -3.09 118.16 121.05 2opv n LYS 28 Ca -0.04 0.01 0.12 0.00 -0.51 0.00 0.00 58.31 57.89 2opv n LYS 28 Cb 0.94 -1.50 0.77 0.00 -0.51 0.00 0.00 35.03 34.73 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 3.16 1.58 0.00 7.82 0.00 -0.86 -0.23 119.26 130.73 2opv h ALA 29 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2opv h ALA 29 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2opv h ALA 29 CO 0.00 0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.09 2opv h GLY 30 N 0.26 0.00 0.79 0.00 0.00 -1.77 -1.14 103.07 101.21 2opv h GLY 30 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2opv h GLY 30 CO 0.01 0.00 -1.86 1.41 0.00 0.00 0.00 176.54 176.09 2opv h LEU 31 N 0.00 0.38 -0.62 3.11 3.38 -1.27 0.42 115.31 120.71 2opv h LEU 31 Ca 0.00 -0.76 -0.15 0.00 0.09 0.00 0.00 57.88 57.06 2opv h LEU 31 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2opv h LEU 31 CO 0.00 1.67 -0.59 -0.37 0.09 0.00 0.00 178.44 179.24 2opv h VAL 32 N 0.07 1.36 0.10 1.22 -1.51 -1.38 -3.08 116.25 113.03 2opv h VAL 32 Ca -0.37 -1.92 -0.27 0.00 -1.23 0.00 0.00 66.70 62.91 2opv h VAL 32 Cb 2.04 1.93 0.03 0.00 -2.13 0.00 0.00 31.29 33.16 2opv h VAL 32 CO 0.11 0.57 -1.11 0.40 -1.23 0.00 0.00 177.57 176.31 2opv h ILE 33 N 0.25 1.32 0.00 7.19 2.04 -1.34 -3.20 117.51 123.77 2opv h ILE 33 Ca -0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2opv h ILE 33 Cb 1.10 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2opv h ILE 33 CO 0.10 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.58 2opv n GLY 34 N 1.35 0.82 2.53 5.37 0.00 0.14 -0.64 105.19 114.76 2opv n GLY 34 Ca -0.13 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 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 0.22 2.92 0.00 1.61 4.76 -1.26 -3.14 118.16 123.27 2opv n LYS 35 Ca 0.00 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 2opv n LYS 35 Cb 0.00 -2.79 0.00 0.00 -1.84 0.00 0.00 35.03 30.40 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2opv n GLY 36 N 3.80 1.89 2.29 0.72 0.00 -1.26 -4.58 105.19 108.05 2opv n GLY 36 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.19 0.80 0.15 -0.02 0.00 -1.19 -4.90 105.19 99.83 2opv n GLY 37 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2opv n GLY 37 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2opv h GLU 38 N 2.54 0.48 -0.53 1.61 4.57 -1.80 -3.25 114.58 118.19 2opv h GLU 38 Ca 0.00 -0.66 -0.12 0.00 -1.18 0.00 0.00 59.36 57.40 2opv h GLU 38 Cb 0.00 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2opv h GLU 38 CO 0.00 1.28 -0.13 1.15 -1.18 0.00 0.00 179.01 180.14 2opv h THR 39 N 0.20 1.27 0.00 0.32 2.02 -1.84 -2.44 112.91 112.44 2opv h THR 39 Ca -0.16 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 2opv h THR 39 Cb 1.89 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2opv h THR 39 CO 0.22 0.45 -0.17 -0.29 0.37 0.00 0.00 175.52 176.10 2opv h ILE 40 N 0.89 1.01 -0.56 3.11 2.10 -0.87 0.69 117.51 123.87 2opv h ILE 40 Ca 0.13 -0.60 -0.10 0.00 1.08 0.00 0.00 64.86 65.38 2opv h ILE 40 Cb 0.70 1.33 -0.02 0.00 -1.09 0.00 0.00 36.82 37.75 2opv h ILE 40 CO 0.05 0.17 -0.03 0.11 -1.08 0.00 0.00 178.15 177.37 2opv h LYS 41 N 0.00 1.01 -0.25 2.19 1.57 -1.49 -3.10 116.57 116.50 2opv h LYS 41 Ca -0.00 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 58.31 2opv h LYS 41 Cb 0.32 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2opv h LYS 41 CO 0.02 1.02 -0.37 1.96 -0.57 0.00 0.00 179.45 181.51 2opv h GLN 42 N 0.90 0.69 -0.41 3.15 4.20 -0.66 -3.16 115.11 119.82 2opv h GLN 42 Ca 0.16 -0.41 0.04 0.00 0.06 0.00 0.00 58.65 58.50 2opv h GLN 42 Cb 0.58 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2opv h GLN 42 CO 0.03 1.03 0.16 -0.07 -0.67 0.00 0.00 178.83 179.32 2opv h LEU 43 N 0.41 0.20 0.33 1.46 3.38 -0.94 -0.29 115.31 119.86 2opv h LEU 43 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2opv h LEU 43 Cb 0.96 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2opv h LEU 43 CO 0.09 0.15 -0.16 1.56 0.09 0.00 0.00 178.44 180.17 2opv h GLN 44 N 0.34 -0.43 -0.48 1.13 4.20 -1.57 -2.33 115.11 115.98 2opv h GLN 44 Ca 0.19 0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 2opv h GLN 44 Cb 0.15 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2opv h GLN 44 CO -0.17 -0.24 -0.22 1.05 -0.67 0.00 0.00 178.83 178.58 2opv h GLU 45 N -0.52 0.98 -0.04 1.46 4.11 -1.49 -0.93 114.58 118.15 2opv h GLU 45 Ca -0.05 -0.42 -0.11 0.00 0.07 0.00 0.00 59.36 58.86 2opv h GLU 45 Cb 0.39 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2opv h GLU 45 CO 0.07 1.09 -0.49 0.07 0.07 0.00 0.00 179.01 179.82 2opv h ARG 46 N 0.84 0.11 0.00 1.06 0.11 -1.04 -2.91 114.38 112.56 2opv h ARG 46 Ca 0.11 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2opv h ARG 46 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 2opv h ARG 46 CO 0.07 0.58 -1.06 0.00 0.10 0.00 0.00 179.97 179.66 2opv n ALA 47 N -2.46 3.16 -1.71 0.08 0.00 -0.88 -4.95 120.51 113.75 2opv n ALA 47 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 53.44 52.99 2opv n ALA 47 Cb 0.52 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2opv n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2opv n GLY 48 N 1.33 0.46 3.60 0.00 0.00 -0.41 -4.83 105.19 105.33 2opv n GLY 48 Ca 0.01 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.30 1.30 -0.20 1.61 -7.23 -0.85 -4.53 120.40 108.19 2opv s VAL 49 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2opv s VAL 49 Cb 0.00 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2opv s VAL 49 CO 0.00 0.00 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.02 2opv s LYS 50 N -3.80 3.52 -0.24 4.82 2.36 -0.18 -4.49 119.74 121.73 2opv s LYS 50 Ca 0.25 -0.57 -0.02 0.00 -2.55 0.00 0.00 55.97 53.08 2opv s LYS 50 Cb 0.06 -3.03 0.02 0.00 -1.05 0.00 0.00 37.83 33.83 2opv s LYS 50 CO 0.13 -0.05 -0.06 -1.64 1.55 0.00 0.00 175.35 175.28 2opv s MET 51 N 1.13 2.97 -0.42 4.03 -1.94 -1.26 -0.61 119.30 123.21 2opv s MET 51 Ca 0.02 -0.89 -0.09 0.00 -1.71 0.00 0.00 55.69 53.02 2opv s MET 51 Cb -0.14 -2.99 0.08 0.00 2.01 0.00 0.00 34.83 33.78 2opv s MET 51 CO 0.01 -0.35 0.26 -1.50 -0.01 0.00 0.00 175.02 173.42 2opv s ILE 52 N 1.36 4.25 -0.65 2.53 2.07 -1.10 -5.00 121.20 124.66 2opv s ILE 52 Ca 0.02 -1.37 -0.26 0.00 -1.41 0.00 0.00 60.65 57.63 2opv s ILE 52 Cb -0.16 -3.59 0.04 0.00 0.13 0.00 0.00 42.46 38.88 2opv s ILE 52 CO -0.04 -0.49 1.15 -0.76 -1.91 0.00 0.00 174.94 172.89 2opv s LEU 53 N 1.43 3.58 -1.10 8.50 2.01 -1.26 -2.99 118.68 128.85 2opv s LEU 53 Ca 0.03 -0.37 -0.22 0.00 0.01 0.00 0.00 54.13 53.59 2opv s LEU 53 Cb -0.23 -2.75 0.05 0.00 0.01 0.00 0.00 46.19 43.27 2opv s LEU 53 CO 0.02 -1.59 1.57 -0.63 1.01 0.00 0.00 176.35 176.74 2opv s ILE 54 N 4.99 3.94 -0.12 -0.59 1.01 -0.41 -4.62 121.20 125.40 2opv s ILE 54 Ca 0.34 -1.08 0.20 0.00 0.00 0.00 0.00 60.65 60.12 2opv s ILE 54 Cb -0.10 -5.04 -0.27 0.00 0.01 0.00 0.00 42.46 37.06 2opv s ILE 54 CO 0.18 -1.89 0.35 0.00 0.00 0.00 0.00 174.94 173.57 2opv n GLN 55 N 8.73 0.67 -0.07 2.79 1.13 -1.26 -4.12 117.38 125.24 2opv n GLN 55 Ca 0.38 -0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.26 2opv n GLN 55 Cb 0.49 -1.55 -0.15 0.00 0.11 0.00 0.00 30.24 29.14 2opv n GLN 55 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2opv n ASP 56 N -2.54 0.60 -4.76 1.08 2.03 -1.26 -4.95 116.55 106.75 2opv n ASP 56 Ca -0.17 0.12 -0.41 0.00 0.52 0.00 0.00 54.79 54.85 2opv n ASP 56 Cb 0.85 0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 41.64 2opv n ASP 56 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2opv s GLY 57 N -5.50 2.93 -1.40 0.27 0.00 -1.26 -4.92 107.32 97.45 2opv s GLY 57 Ca -0.12 1.10 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 2opv s GLY 57 CO 0.80 1.79 2.24 1.44 0.00 0.00 0.00 173.10 179.36 2opv n SER 58 N 1.28 5.61 -3.26 1.64 7.64 -1.26 -4.43 113.62 120.83 2opv n SER 58 Ca 0.01 -2.94 -0.26 0.00 1.01 0.00 0.00 58.87 56.69 2opv n SER 58 Cb 0.43 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.03 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2opv n GLN 59 N 4.33 2.32 -3.42 1.43 1.13 -1.26 -4.82 117.38 117.09 2opv n GLN 59 Ca 0.53 -4.41 -0.20 0.00 -1.94 0.00 0.00 57.00 50.98 2opv n GLN 59 Cb 0.34 -2.06 0.07 0.00 0.11 0.00 0.00 30.24 28.70 2opv n GLN 59 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2opv n ASN 60 N 0.64 -5.34 0.09 1.08 4.13 -1.26 -4.47 115.26 110.13 2opv n ASN 60 Ca 0.29 -0.47 -0.03 0.00 1.68 0.00 0.00 54.58 56.05 2opv n ASN 60 Cb 0.44 -4.39 -0.06 0.00 -1.54 0.00 0.00 39.78 34.23 2opv n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2opv h THR 61 N -2.25 1.27 -0.16 3.41 1.03 -1.77 -1.71 112.91 112.74 2opv h THR 61 Ca -0.49 -2.83 -0.01 0.00 -0.01 0.00 0.00 66.41 63.08 2opv h THR 61 Cb 1.31 2.62 -0.00 0.00 -1.07 0.00 0.00 68.15 71.01 2opv h THR 61 CO 0.47 0.73 0.01 0.59 -0.01 0.00 0.00 175.52 177.31 2opv n ASN 62 N -3.27 2.30 0.11 0.00 3.02 -1.26 -3.92 115.26 112.24 2opv n ASN 62 Ca 0.00 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 2opv n ASN 62 Cb 0.85 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2opv n VAL 63 N 0.16 0.07 -3.61 2.41 0.24 -1.21 -5.12 118.33 111.28 2opv n VAL 63 Ca 0.08 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2opv n VAL 63 Cb 0.52 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 2opv n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2opv n ASP 64 N -3.26 1.11 -3.64 -1.34 8.00 -0.64 -3.79 116.55 112.99 2opv n ASP 64 Ca 0.00 -0.61 -0.20 0.00 0.71 0.00 0.00 54.79 54.69 2opv n ASP 64 Cb 0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 40.94 2opv n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2opv s LYS 65 N -0.82 0.01 0.06 -1.24 -0.14 0.57 -3.75 119.74 114.43 2opv s LYS 65 Ca 0.00 0.32 -0.31 0.00 -1.36 0.00 0.00 55.97 54.62 2opv s LYS 65 Cb 0.00 -0.80 -0.08 0.00 -1.68 0.00 0.00 37.83 35.26 2opv s LYS 65 CO 0.00 -0.43 1.68 -2.14 -0.76 0.00 0.00 175.35 173.70 2opv s PRO 66 N 2.22 4.19 -0.27 -1.68 0.02 -1.26 -0.68 135.00 137.54 2opv s PRO 66 Ca 0.04 2.35 0.02 0.00 0.02 0.00 0.00 61.00 63.43 2opv s PRO 66 Cb -0.13 -3.68 0.07 0.00 0.02 0.00 0.00 34.50 30.78 2opv s PRO 66 CO -0.06 -0.77 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.64 2opv s LEU 67 N 2.92 3.16 -0.49 -5.54 2.96 -0.68 -1.29 118.68 119.71 2opv s LEU 67 Ca 0.75 -1.47 -0.17 0.00 -0.22 0.00 0.00 54.13 53.02 2opv s LEU 67 Cb -0.40 -1.31 0.06 0.00 0.50 0.00 0.00 46.19 45.05 2opv s LEU 67 CO 0.33 -0.28 0.51 -0.13 -1.32 0.00 0.00 176.35 175.46 2opv s ARG 68 N 1.26 3.06 -0.57 1.98 0.52 -1.16 -1.47 118.95 122.56 2opv s ARG 68 Ca -0.01 -1.09 -0.23 0.00 -0.52 0.00 0.00 55.73 53.87 2opv s ARG 68 Cb -0.19 -4.11 0.05 0.00 0.52 0.00 0.00 34.95 31.22 2opv s ARG 68 CO -0.08 -1.11 0.90 0.42 0.02 0.00 0.00 175.30 175.44 2opv s ILE 69 N 2.16 4.45 -0.20 1.52 1.09 -0.77 -2.69 121.20 126.75 2opv s ILE 69 Ca 0.10 0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.59 2opv s ILE 69 Cb -0.21 -4.53 -0.04 0.00 -1.06 0.00 0.00 42.46 36.62 2opv s ILE 69 CO 0.10 -1.14 0.07 -0.63 -0.10 0.00 0.00 174.94 173.23 2opv s ILE 70 N 3.76 4.66 -0.77 2.92 1.01 0.22 -2.55 121.20 130.46 2opv s ILE 70 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2opv s ILE 70 Cb -0.15 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2opv s ILE 70 CO 0.16 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2opv n GLY 71 N 3.96 -0.70 3.87 6.18 0.00 0.61 -1.01 105.19 118.11 2opv n GLY 71 Ca -0.16 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2opv n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opv s ASP 72 N -4.00 6.64 0.32 1.61 1.01 -1.26 -0.67 116.67 120.32 2opv s ASP 72 Ca 0.00 0.91 0.10 0.00 0.71 0.00 0.00 52.55 54.26 2opv s ASP 72 Cb 0.00 -2.22 0.87 0.00 1.01 0.00 0.00 42.92 42.58 2opv s ASP 72 CO 0.00 -0.03 1.75 -0.65 0.21 0.00 0.00 175.17 176.45 2opv h PRO 73 N 2.75 0.59 0.50 8.23 0.11 -1.96 0.23 132.00 142.46 2opv h PRO 73 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2opv h PRO 73 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2opv h PRO 73 CO 0.69 0.39 -0.24 -0.92 -0.21 0.00 0.00 178.00 177.71 2opv h TYR 74 N 0.61 -0.63 -0.10 0.65 3.20 -1.99 0.10 116.97 118.82 2opv h TYR 74 Ca 0.62 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.38 2opv h TYR 74 Cb 1.17 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 2opv h TYR 74 CO -0.01 -0.31 -0.36 1.57 -1.64 0.00 0.00 178.16 177.41 2opv h LYS 75 N -0.89 0.20 -0.67 1.82 2.10 -1.73 -1.02 116.57 116.36 2opv h LYS 75 Ca -0.07 -0.08 -0.08 0.00 -2.00 0.00 0.00 60.65 58.42 2opv h LYS 75 Cb 0.60 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.90 2opv h LYS 75 CO 0.11 0.54 0.11 0.28 -2.00 0.00 0.00 179.45 178.50 2opv h VAL 76 N 0.17 1.26 0.15 0.07 2.07 -0.46 0.33 116.25 119.85 2opv h VAL 76 Ca 0.02 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 2opv h VAL 76 Cb 0.73 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2opv h VAL 76 CO 0.05 0.39 -0.07 -0.61 0.02 0.00 0.00 177.57 177.36 2opv h GLN 77 N 1.04 -0.19 -0.42 1.57 5.75 -0.48 0.35 115.11 122.73 2opv h GLN 77 Ca 0.20 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 2opv h GLN 77 Cb 0.44 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 2opv h GLN 77 CO 0.01 0.07 0.11 1.96 -2.65 0.00 0.00 178.83 178.33 2opv h GLN 78 N -0.44 0.62 -0.13 1.69 4.20 -1.02 -0.25 115.11 119.79 2opv h GLN 78 Ca -0.02 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 2opv h GLN 78 Cb 0.35 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2opv h GLN 78 CO 0.03 0.57 -0.62 0.00 -0.67 0.00 0.00 178.83 178.14 2opv h ALA 79 N 1.51 0.68 -0.10 3.87 0.00 -0.25 -1.99 119.26 122.98 2opv h ALA 79 Ca 0.14 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2opv h ALA 79 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2opv h ALA 79 CO -0.00 0.72 -0.29 0.00 0.00 0.00 0.00 179.25 179.67 2opv h GLU 81 N -0.07 0.00 0.23 0.00 4.11 -1.11 0.22 114.58 117.96 2opv h GLU 81 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2opv h GLU 81 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2opv h GLU 81 CO 0.06 0.09 -0.11 1.98 0.07 0.00 0.00 179.01 181.10 2opv h MET 82 N 0.00 -0.30 -0.28 1.06 4.05 -1.15 -2.16 114.93 116.15 2opv h MET 82 Ca -0.00 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 2opv h MET 82 Cb 0.41 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2opv h MET 82 CO 0.01 0.06 -0.22 -0.39 0.23 0.00 0.00 176.91 176.61 2opv h VAL 83 N -0.89 1.26 -0.65 -5.77 -1.51 -0.93 -2.16 116.25 105.60 2opv h VAL 83 Ca -0.03 -1.22 -0.03 0.00 -1.23 0.00 0.00 66.70 64.19 2opv h VAL 83 Cb 0.51 1.28 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 2opv h VAL 83 CO 0.05 0.39 0.30 0.24 -1.23 0.00 0.00 177.57 177.32 2opv h MET 84 N 0.47 0.93 -0.35 5.19 2.07 -0.66 -2.41 114.93 120.17 2opv h MET 84 Ca 0.07 -0.13 -0.05 0.00 -2.07 0.00 0.00 59.70 57.52 2opv h MET 84 Cb 0.63 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 2opv h MET 84 CO 0.05 0.73 0.02 0.22 1.07 0.00 0.00 176.91 179.00 2opv h ASP 85 N 0.92 0.59 -0.13 1.22 3.58 -0.77 -1.53 116.42 120.30 2opv h ASP 85 Ca 0.22 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2opv h ASP 85 Cb 0.12 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2opv h ASP 85 CO -0.03 0.73 0.08 0.40 -2.88 0.00 0.00 179.24 177.55 2opv h ILE 86 N 0.43 1.03 0.04 2.25 2.04 -1.17 0.19 117.51 122.33 2opv h ILE 86 Ca 0.10 -0.06 -0.24 0.00 1.00 0.00 0.00 64.86 65.66 2opv h ILE 86 Cb 0.42 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2opv h ILE 86 CO 0.01 0.03 -1.19 -0.07 0.00 0.00 0.00 178.15 176.94 2opv h LEU 87 N 0.17 0.14 -0.64 1.44 4.07 -1.08 -3.29 115.31 116.12 2opv h LEU 87 Ca 0.05 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.84 2opv h LEU 87 Cb -0.02 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2opv h LEU 87 CO -0.01 1.13 -0.46 -2.11 -1.08 0.00 0.00 178.44 175.91 2opv n ARG 88 N -3.37 0.86 0.00 1.13 1.85 -0.61 -5.05 116.66 111.47 2opv n ARG 88 Ca -0.05 -0.64 0.13 0.00 -1.00 0.00 0.00 57.85 56.28 2opv n ARG 88 Cb 0.98 -1.49 0.38 0.00 -1.05 0.00 0.00 32.46 31.29 2opv n ARG 88 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01