#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv s GLN 6 N 0.00 3.13 -0.11 1.61 -0.21 -1.26 0.14 119.66 122.96 2opv s GLN 6 Ca 0.00 2.24 -0.39 0.00 0.02 0.00 0.00 55.36 57.23 2opv s GLN 6 Cb 0.00 -2.26 -0.17 0.00 1.00 0.00 0.00 33.01 31.59 2opv s GLN 6 CO 0.00 -1.20 1.51 1.19 -2.12 0.00 0.00 175.29 174.67 2opv n PHE 7 N -1.04 1.70 -4.17 0.91 3.72 -1.26 -4.48 117.46 112.85 2opv n PHE 7 Ca 0.10 0.65 -0.11 0.00 -0.05 0.00 0.00 57.45 58.04 2opv n PHE 7 Cb 0.45 -2.37 -0.09 0.00 -0.94 0.00 0.00 39.48 36.53 2opv n PHE 7 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2opv s HIS 8 N 1.91 1.03 0.00 1.38 2.46 -1.26 -4.80 115.29 116.01 2opv s HIS 8 Ca 0.92 -1.27 -0.03 0.00 0.47 0.00 0.00 55.06 55.15 2opv s HIS 8 Cb -1.05 -0.44 -0.02 0.00 -0.13 0.00 0.00 32.58 30.94 2opv s HIS 8 CO 0.57 -0.69 0.71 0.38 -2.47 0.00 0.00 174.74 173.24 2opv h ASP 9 N 2.57 -0.09 0.00 9.88 3.04 -1.88 -3.30 116.42 126.63 2opv h ASP 9 Ca -0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2opv h ASP 9 Cb 1.25 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 2opv h ASP 9 CO 0.50 -0.05 0.00 -3.20 -2.04 0.00 0.00 179.24 174.46 2opv n ASN 10 N -2.40 0.00 -4.52 4.15 2.85 -1.26 -4.65 115.26 109.43 2opv n ASN 10 Ca -0.01 0.27 -0.43 0.00 -0.11 0.00 0.00 54.58 54.30 2opv n ASN 10 Cb 0.04 -0.35 -0.02 0.00 1.24 0.00 0.00 39.78 40.69 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 -3.37 3.15 0.11 5.20 0.00 -1.26 -4.97 121.76 120.62 2opv s ALA 11 Ca 0.00 -2.63 0.08 0.00 0.00 0.00 0.00 51.96 49.40 2opv s ALA 11 Cb 0.00 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 2opv s ALA 11 CO 0.00 -3.27 -0.12 0.54 0.00 0.00 0.00 175.76 172.90 2opv s ASN 12 N 4.20 4.25 -0.36 0.00 2.20 -1.26 -4.44 114.94 119.53 2opv s ASN 12 Ca 0.42 -0.44 -0.11 0.00 -0.94 0.00 0.00 52.86 51.80 2opv s ASN 12 Cb -0.01 -0.75 0.02 0.00 -2.00 0.00 0.00 41.25 38.50 2opv s ASN 12 CO -0.06 0.18 0.20 -0.83 -2.94 0.00 0.00 177.10 173.64 2opv s GLY 13 N -2.19 1.92 0.00 0.45 0.00 0.12 -4.80 107.32 102.82 2opv s GLY 13 Ca 0.20 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2opv s GLY 13 CO 0.13 0.82 0.00 0.61 0.00 0.00 0.00 173.10 174.65 2opv n GLY 14 N 5.00 -0.41 2.80 0.20 0.00 -1.26 -4.80 105.19 106.72 2opv n GLY 14 Ca -0.12 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 2opv n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2opv s GLN 15 N 0.00 0.95 0.00 1.61 0.74 -1.26 -4.76 119.66 116.94 2opv s GLN 15 Ca 0.00 -1.09 0.00 0.00 0.05 0.00 0.00 55.36 54.32 2opv s GLN 15 Cb 0.00 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.85 2opv s GLN 15 CO 0.00 -0.88 0.00 0.09 -0.55 0.00 0.00 175.29 173.95 2opv n ASN 16 N 4.76 0.00 0.00 6.67 4.13 -1.26 -4.61 115.26 124.95 2opv n ASN 16 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2opv n ASN 16 Cb 0.43 -2.17 0.00 0.00 -1.54 0.00 0.00 39.78 36.50 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2opv n GLY 17 N -1.89 1.91 3.21 7.41 0.00 -1.26 -3.88 105.19 110.69 2opv n GLY 17 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 1.99 -0.04 2.61 2.01 -0.20 -4.95 115.64 117.06 2opv s THR 18 Ca 0.00 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 2opv s THR 18 Cb 0.00 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.82 2opv s THR 18 CO 0.00 0.55 0.05 0.54 -0.69 0.00 0.00 174.62 175.07 2opv s VAL 19 N 0.30 -0.09 0.25 3.82 0.11 -1.25 -0.20 120.40 123.35 2opv s VAL 19 Ca -0.17 0.38 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 2opv s VAL 19 Cb -0.17 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2opv s VAL 19 CO 0.08 0.17 0.43 -1.10 -3.33 0.00 0.00 175.10 171.34 2opv s GLN 20 N 1.97 3.49 -0.23 1.54 -0.21 -0.44 -4.87 119.66 120.91 2opv s GLN 20 Ca 0.03 -0.43 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 2opv s GLN 20 Cb -0.12 -2.80 0.07 0.00 1.00 0.00 0.00 33.01 31.15 2opv s GLN 20 CO -0.03 0.34 0.02 -1.21 -2.12 0.00 0.00 175.29 172.29 2opv s GLU 21 N -3.73 0.97 0.07 2.91 2.02 -1.24 -0.60 118.70 119.10 2opv s GLU 21 Ca 0.38 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.64 2opv s GLU 21 Cb -0.10 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 2opv s GLU 21 CO 0.31 -0.70 0.18 0.42 0.02 0.00 0.00 175.26 175.49 2opv s ILE 22 N 1.66 5.14 -0.61 -1.63 -1.09 -0.01 -4.88 121.20 119.78 2opv s ILE 22 Ca -0.00 -0.52 -0.05 0.00 -2.23 0.00 0.00 60.65 57.85 2opv s ILE 22 Cb -0.18 -3.51 0.16 0.00 -1.58 0.00 0.00 42.46 37.35 2opv s ILE 22 CO -0.11 0.12 0.44 -0.04 -1.23 0.00 0.00 174.94 174.12 2opv s MET 23 N -2.53 2.62 -0.08 2.79 -1.94 -1.26 -0.62 119.30 118.29 2opv s MET 23 Ca 0.33 -2.34 -0.27 0.00 -1.71 0.00 0.00 55.69 51.70 2opv s MET 23 Cb -0.13 -3.83 -0.02 0.00 2.01 0.00 0.00 34.83 32.86 2opv s MET 23 CO 0.26 -1.18 0.90 0.42 -0.01 0.00 0.00 175.02 175.41 2opv s ILE 24 N 0.30 4.88 0.23 2.53 -1.09 -0.30 -4.57 121.20 123.19 2opv s ILE 24 Ca 0.15 1.84 -0.31 0.00 -2.23 0.00 0.00 60.65 60.10 2opv s ILE 24 Cb -0.20 -4.22 -0.14 0.00 -1.58 0.00 0.00 42.46 36.32 2opv s ILE 24 CO -0.04 0.11 1.18 -2.65 -1.23 0.00 0.00 174.94 172.31 2opv n PRO 25 N 4.48 1.49 0.18 2.79 -0.02 -1.26 0.08 135.00 142.73 2opv n PRO 25 Ca 0.05 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 2opv n PRO 25 Cb 0.50 -2.03 0.69 0.00 -0.02 0.00 0.00 33.50 32.64 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 3.11 2.10 0.00 3.55 0.00 -1.73 0.60 119.26 126.89 2opv h ALA 26 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2opv h ALA 26 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2opv h ALA 26 CO 0.68 -0.22 -0.93 0.78 0.00 0.00 0.00 179.25 179.56 2opv h GLY 27 N 0.00 0.00 -0.57 0.00 0.00 -1.89 -3.32 103.07 97.30 2opv h GLY 27 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2opv h GLY 27 CO -0.00 0.00 -0.07 1.17 0.00 0.00 0.00 176.54 177.64 2opv n LYS 28 N -2.67 1.59 0.31 4.80 3.00 0.11 -3.93 118.16 121.37 2opv n LYS 28 Ca 0.00 -1.02 0.20 0.00 -0.00 0.00 0.00 58.31 57.49 2opv n LYS 28 Cb 0.54 -1.48 1.02 0.00 0.00 0.00 0.00 35.03 35.11 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2opv h ALA 29 N 4.26 1.07 0.00 3.14 0.00 -1.41 -1.61 119.26 124.71 2opv h ALA 29 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2opv h ALA 29 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2opv h ALA 29 CO 0.00 0.02 0.00 0.78 0.00 0.00 0.00 179.25 180.05 2opv h GLY 30 N 0.60 0.00 0.08 0.00 0.00 -1.84 -0.15 103.07 101.76 2opv h GLY 30 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2opv h GLY 30 CO 0.00 0.00 -1.85 1.04 0.00 0.00 0.00 176.54 175.74 2opv n LEU 31 N -2.50 2.08 -0.24 3.11 4.77 -0.61 -2.00 117.00 121.61 2opv n LEU 31 Ca -0.02 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 2opv n LEU 31 Cb 0.06 -0.94 0.04 0.00 -2.33 0.00 0.00 43.42 40.25 2opv n LEU 31 CO 0.14 0.50 0.89 -0.37 -1.33 0.00 0.00 177.39 177.21 2opv h VAL 32 N -0.78 1.27 0.05 4.08 -1.51 -1.59 -3.00 116.25 114.77 2opv h VAL 32 Ca -0.49 -1.06 -0.28 0.00 -1.23 0.00 0.00 66.70 63.64 2opv h VAL 32 Cb 1.54 0.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.33 2opv h VAL 32 CO -0.23 0.40 -1.51 0.40 -1.23 0.00 0.00 177.57 175.40 2opv h ILE 33 N 1.04 1.13 0.00 7.19 2.04 -1.24 -3.32 117.51 124.34 2opv h ILE 33 Ca 0.20 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2opv h ILE 33 Cb 0.46 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2opv h ILE 33 CO 0.02 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.52 2opv n GLY 34 N 1.58 0.07 2.45 5.37 0.00 -0.85 -1.72 105.19 112.09 2opv n GLY 34 Ca -0.14 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.12 3.57 0.00 1.61 4.01 -1.23 -3.70 118.16 122.30 2opv n LYS 35 Ca 0.00 -2.44 0.00 0.00 -0.51 0.00 0.00 58.31 55.36 2opv n LYS 35 Cb 0.00 -2.91 0.00 0.00 -0.51 0.00 0.00 35.03 31.61 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2opv n GLY 36 N 3.53 1.41 0.00 0.72 0.00 -1.26 -4.69 105.19 104.91 2opv n GLY 36 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 0.90 0.12 -0.02 0.00 -1.17 -4.99 105.19 100.03 2opv n GLY 37 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 1.05 0.14 -0.06 1.61 5.08 -1.84 -2.80 114.58 117.76 2opv h GLU 38 Ca 0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2opv h GLU 38 Cb 0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2opv h GLU 38 CO 0.00 0.88 -0.05 1.15 -1.00 0.00 0.00 179.01 179.99 2opv h THR 39 N 0.08 1.36 -0.25 1.13 2.02 -1.88 -2.15 112.91 113.22 2opv h THR 39 Ca -0.03 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 2opv h THR 39 Cb 1.42 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 2opv h THR 39 CO 0.12 0.32 0.07 -0.29 0.37 0.00 0.00 175.52 176.11 2opv h ILE 40 N -0.27 1.12 -0.58 3.11 2.10 -1.42 -0.06 117.51 121.51 2opv h ILE 40 Ca 0.01 -0.41 0.06 0.00 1.08 0.00 0.00 64.86 65.60 2opv h ILE 40 Cb 0.54 0.86 -0.05 0.00 -1.09 0.00 0.00 36.82 37.08 2opv h ILE 40 CO 0.01 0.15 0.28 0.50 -1.08 0.00 0.00 178.15 178.01 2opv h LYS 41 N 0.35 0.52 -0.15 2.19 3.64 -1.29 -2.76 116.57 119.07 2opv h LYS 41 Ca 0.09 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.22 2opv h LYS 41 Cb 0.13 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2opv h LYS 41 CO -0.00 0.34 -0.75 1.96 -2.27 0.00 0.00 179.45 178.73 2opv h GLN 42 N 0.53 0.77 -0.41 1.90 4.20 -0.53 -3.28 115.11 118.29 2opv h GLN 42 Ca 0.27 -0.63 0.06 0.00 0.06 0.00 0.00 58.65 58.40 2opv h GLN 42 Cb 0.21 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2opv h GLN 42 CO -0.20 1.24 0.11 -0.07 -0.67 0.00 0.00 178.83 179.24 2opv h LEU 43 N 0.49 0.09 -0.61 1.46 3.38 -0.86 0.19 115.31 119.45 2opv h LEU 43 Ca -0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2opv h LEU 43 Cb 1.38 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2opv h LEU 43 CO 0.15 0.08 0.31 1.56 0.09 0.00 0.00 178.44 180.64 2opv h GLN 44 N 0.26 0.86 0.09 1.13 4.20 -1.57 -1.57 115.11 118.51 2opv h GLN 44 Ca 0.19 -0.11 -0.26 0.00 0.06 0.00 0.00 58.65 58.53 2opv h GLN 44 Cb 0.20 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2opv h GLN 44 CO -0.22 0.67 -1.14 1.05 -0.67 0.00 0.00 178.83 178.52 2opv h GLU 45 N 0.83 0.32 -0.02 1.46 4.11 -1.53 -0.83 114.58 118.91 2opv h GLU 45 Ca 0.21 -0.46 -0.16 0.00 0.07 0.00 0.00 59.36 59.03 2opv h GLU 45 Cb 0.08 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2opv h GLU 45 CO -0.03 1.18 -0.72 0.07 0.07 0.00 0.00 179.01 179.58 2opv h ARG 46 N 0.12 0.11 0.00 1.06 0.11 -0.88 -3.20 114.38 111.71 2opv h ARG 46 Ca -0.12 -0.09 -0.23 0.00 0.10 0.00 0.00 59.98 59.64 2opv h ARG 46 Cb 1.83 0.02 -0.04 0.00 1.11 0.00 0.00 29.97 32.89 2opv h ARG 46 CO 0.19 0.78 -1.51 0.00 0.10 0.00 0.00 179.97 179.53 2opv h ALA 47 N 1.20 0.70 -0.27 0.08 0.00 -1.34 -3.49 119.26 116.13 2opv h ALA 47 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.74 2opv h ALA 47 Cb 1.26 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2opv h ALA 47 CO 0.10 1.27 0.00 0.41 0.00 0.00 0.00 179.25 181.04 2opv n GLY 48 N 1.47 0.72 3.31 0.00 0.00 -0.38 -4.87 105.19 105.45 2opv n GLY 48 Ca -0.12 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.27 0.04 -0.20 1.61 -7.23 -0.84 -4.39 120.40 107.11 2opv s VAL 49 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2opv s VAL 49 Cb 0.00 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 2opv s VAL 49 CO 0.00 0.00 -0.01 -0.75 -0.31 0.00 0.00 175.10 174.03 2opv s LYS 50 N -3.42 3.55 -0.24 4.82 2.20 -0.14 -4.50 119.74 122.02 2opv s LYS 50 Ca 0.39 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 2opv s LYS 50 Cb 0.02 -3.05 0.04 0.00 -1.51 0.00 0.00 37.83 33.33 2opv s LYS 50 CO 0.28 -0.03 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.48 2opv s MET 51 N 1.10 2.62 -0.39 4.03 -1.94 -1.26 0.62 119.30 124.08 2opv s MET 51 Ca 0.02 -1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 52.79 2opv s MET 51 Cb -0.14 -2.86 0.04 0.00 2.01 0.00 0.00 34.83 33.88 2opv s MET 51 CO 0.01 -0.43 0.23 -1.50 -0.01 0.00 0.00 175.02 173.32 2opv s ILE 52 N 1.23 4.55 -0.66 2.53 2.07 -0.17 -4.97 121.20 125.77 2opv s ILE 52 Ca -0.02 -1.00 -0.26 0.00 -1.41 0.00 0.00 60.65 57.95 2opv s ILE 52 Cb -0.17 -3.61 0.04 0.00 0.13 0.00 0.00 42.46 38.85 2opv s ILE 52 CO -0.07 -0.33 1.15 -0.76 -1.91 0.00 0.00 174.94 173.03 2opv s LEU 53 N 1.53 3.58 -1.07 8.50 2.01 -1.26 -2.42 118.68 129.56 2opv s LEU 53 Ca 0.02 -0.40 -0.21 0.00 0.01 0.00 0.00 54.13 53.56 2opv s LEU 53 Cb -0.20 -2.72 0.08 0.00 0.01 0.00 0.00 46.19 43.36 2opv s LEU 53 CO 0.06 -1.60 1.44 -0.63 1.01 0.00 0.00 176.35 176.63 2opv s ILE 54 N 5.00 4.19 0.17 -0.59 1.01 -0.52 -4.80 121.20 125.64 2opv s ILE 54 Ca 0.34 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 2opv s ILE 54 Cb -0.10 -5.02 -0.06 0.00 0.01 0.00 0.00 42.46 37.29 2opv s ILE 54 CO 0.17 -1.85 1.47 1.56 0.00 0.00 0.00 174.94 176.29 2opv h GLN 55 N 9.01 0.72 -2.13 2.79 4.20 -1.93 -3.34 115.11 124.43 2opv h GLN 55 Ca 0.25 -0.44 -0.54 0.00 0.06 0.00 0.00 58.65 57.98 2opv h GLN 55 Cb 0.98 0.04 -0.41 0.00 0.30 0.00 0.00 27.48 28.39 2opv h GLN 55 CO 1.36 1.06 -0.91 -0.25 -0.67 0.00 0.00 178.83 179.42 2opv n ASP 56 N -3.99 2.46 -0.70 1.46 8.00 -1.26 -4.80 116.55 117.71 2opv n ASP 56 Ca -0.03 -3.28 0.10 0.00 0.71 0.00 0.00 54.79 52.29 2opv n ASP 56 Cb 0.60 -0.61 0.32 0.00 -0.02 0.00 0.00 41.12 41.41 2opv n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2opv n GLY 57 N 0.28 0.66 7.00 0.44 0.00 -1.25 -5.06 105.19 107.24 2opv n GLY 57 Ca 0.27 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2opv n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2opv n SER 58 N 0.61 -4.64 0.00 1.61 7.64 -1.26 -4.84 113.62 112.75 2opv n SER 58 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2opv n SER 58 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.53 0.00 -0.50 1.43 6.02 -1.26 -2.78 117.38 118.76 2opv n GLN 59 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 2opv n GLN 59 Cb 0.00 0.00 0.33 0.00 1.02 0.00 0.00 30.24 31.59 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 2.47 4.37 0.07 1.08 4.13 -1.26 -4.38 115.26 121.74 2opv n ASN 60 Ca 0.00 -2.29 0.03 0.00 1.68 0.00 0.00 54.58 54.00 2opv n ASN 60 Cb 0.00 -0.53 0.40 0.00 -1.54 0.00 0.00 39.78 38.11 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 3.97 1.14 0.00 3.41 1.35 -1.67 0.71 112.91 121.82 2opv h THR 61 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2opv h THR 61 Cb 1.26 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2opv h THR 61 CO 0.14 0.18 0.00 -3.20 -0.25 0.00 0.00 175.52 172.39 2opv n ASN 62 N -4.36 0.03 0.08 5.36 2.85 -1.26 -4.37 115.26 113.58 2opv n ASN 62 Ca 0.01 0.50 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 2opv n ASN 62 Cb 0.18 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.69 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2opv n VAL 63 N -1.53 0.77 -3.37 3.44 0.24 -0.56 -4.97 118.33 112.36 2opv n VAL 63 Ca 0.05 0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.61 2opv n VAL 63 Cb 0.25 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 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 -3.42 1.94 -3.49 -1.34 8.00 0.24 -2.54 116.55 115.93 2opv n ASP 64 Ca 0.00 -0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.01 2opv n ASP 64 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 -0.10 0.25 -0.26 -1.24 -0.14 0.11 -4.14 119.74 114.22 2opv s LYS 65 Ca 0.00 0.54 -0.28 0.00 -1.36 0.00 0.00 55.97 54.86 2opv s LYS 65 Cb 0.00 -0.51 -0.04 0.00 -1.68 0.00 0.00 37.83 35.60 2opv s LYS 65 CO 0.00 -0.53 2.03 -2.14 -0.76 0.00 0.00 175.35 173.95 2opv s PRO 66 N 2.46 3.24 -0.38 -1.68 0.02 -1.26 -1.15 135.00 136.26 2opv s PRO 66 Ca 0.07 1.79 -0.05 0.00 0.02 0.00 0.00 61.00 62.83 2opv s PRO 66 Cb -0.14 -4.29 0.08 0.00 0.02 0.00 0.00 34.50 30.16 2opv s PRO 66 CO -0.13 -1.97 0.16 -1.17 -0.33 0.00 0.00 177.00 173.56 2opv s LEU 67 N 7.60 4.76 -0.37 -5.54 2.96 0.21 -1.44 118.68 126.87 2opv s LEU 67 Ca 0.91 -1.57 -0.15 0.00 -0.22 0.00 0.00 54.13 53.10 2opv s LEU 67 Cb -0.29 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 2opv s LEU 67 CO 0.34 -0.44 0.36 -0.13 -1.32 0.00 0.00 176.35 175.16 2opv s ARG 68 N 1.29 3.39 -0.50 1.98 0.52 -1.01 -0.83 118.95 123.79 2opv s ARG 68 Ca 0.02 -0.58 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 2opv s ARG 68 Cb -0.22 -3.86 0.08 0.00 0.52 0.00 0.00 34.95 31.48 2opv s ARG 68 CO -0.01 -0.61 0.47 0.42 0.02 0.00 0.00 175.30 175.59 2opv s ILE 69 N 1.97 5.15 -0.12 1.52 1.01 0.23 -1.00 121.20 129.97 2opv s ILE 69 Ca 0.10 -1.05 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 2opv s ILE 69 Cb -0.17 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 2opv s ILE 69 CO 0.12 -0.69 -0.11 -0.63 0.00 0.00 0.00 174.94 173.63 2opv s ILE 70 N 1.84 3.31 0.00 2.92 1.01 0.20 -1.33 121.20 129.16 2opv s ILE 70 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2opv s ILE 70 Cb -0.24 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.84 2opv s ILE 70 CO 0.07 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.15 2opv n GLY 71 N 3.19 -0.38 3.73 6.18 0.00 0.73 -0.96 105.19 117.68 2opv n GLY 71 Ca -0.18 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 5.86 0.31 1.61 2.15 -1.24 -1.03 116.67 120.33 2opv s ASP 72 Ca 0.00 0.23 0.07 0.00 0.43 0.00 0.00 52.55 53.28 2opv s ASP 72 Cb 0.00 -1.92 0.89 0.00 -0.30 0.00 0.00 42.92 41.58 2opv s ASP 72 CO 0.00 0.28 1.64 -0.65 -0.17 0.00 0.00 175.17 176.27 2opv h PRO 73 N 5.90 0.20 -0.07 4.34 0.11 -1.92 0.39 132.00 140.96 2opv h PRO 73 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2opv h PRO 73 Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2opv h PRO 73 CO 0.65 0.13 -0.12 -0.92 -0.21 0.00 0.00 178.00 177.53 2opv h TYR 74 N 0.21 0.25 0.00 0.65 3.20 -1.99 -1.26 116.97 118.03 2opv h TYR 74 Ca 0.64 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.42 2opv h TYR 74 Cb 1.39 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.62 2opv h TYR 74 CO -0.19 0.70 -0.28 1.57 -1.64 0.00 0.00 178.16 178.33 2opv h LYS 75 N -0.26 0.00 -0.53 1.82 2.10 -1.71 -0.04 116.57 117.95 2opv h LYS 75 Ca 0.01 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 2opv h LYS 75 Cb 0.68 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.99 2opv h LYS 75 CO 0.03 0.00 -0.04 0.28 -2.00 0.00 0.00 179.45 177.72 2opv h VAL 76 N 0.00 1.26 -0.03 0.07 2.07 -0.17 0.17 116.25 119.62 2opv h VAL 76 Ca 0.00 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2opv h VAL 76 Cb 0.96 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2opv h VAL 76 CO 0.00 0.40 -0.04 -0.61 0.02 0.00 0.00 177.57 177.35 2opv h GLN 77 N 0.85 0.08 -0.63 1.57 5.75 -1.02 -1.76 115.11 119.96 2opv h GLN 77 Ca 0.15 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2opv h GLN 77 Cb 0.56 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2opv h GLN 77 CO 0.03 0.55 0.39 1.96 -2.65 0.00 0.00 178.83 179.12 2opv h GLN 78 N -0.39 0.84 -0.37 1.69 4.20 -0.94 0.77 115.11 120.90 2opv h GLN 78 Ca 0.01 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 2opv h GLN 78 Cb 0.54 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2opv h GLN 78 CO 0.01 0.57 -0.38 0.00 -0.67 0.00 0.00 178.83 178.37 2opv h ALA 79 N 1.58 0.62 0.11 3.87 0.00 -0.68 -1.69 119.26 123.06 2opv h ALA 79 Ca 0.23 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2opv h ALA 79 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2opv h ALA 79 CO -0.05 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 2opv h GLU 81 N -0.40 0.00 0.07 0.00 4.11 -0.93 0.92 114.58 118.34 2opv h GLU 81 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2opv h GLU 81 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2opv h GLU 81 CO 0.02 0.10 -0.03 1.98 0.07 0.00 0.00 179.01 181.15 2opv h MET 82 N 0.00 -0.09 0.05 1.06 4.05 -0.98 -2.69 114.93 116.33 2opv h MET 82 Ca -0.00 0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.19 2opv h MET 82 Cb 0.33 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2opv h MET 82 CO 0.01 0.46 -1.03 -0.39 0.23 0.00 0.00 176.91 176.20 2opv h VAL 83 N -0.75 1.49 -0.42 -5.77 -1.51 -0.92 -2.72 116.25 105.65 2opv h VAL 83 Ca -0.01 -2.81 -0.04 0.00 -1.23 0.00 0.00 66.70 62.61 2opv h VAL 83 Cb 0.60 2.66 -0.02 0.00 -2.13 0.00 0.00 31.29 32.39 2opv h VAL 83 CO 0.02 0.82 0.08 -0.03 -1.23 0.00 0.00 177.57 177.23 2opv h MET 84 N 0.11 0.63 -0.31 5.19 -1.53 -0.95 -2.16 114.93 115.91 2opv h MET 84 Ca -0.08 -0.12 -0.12 0.00 -3.44 0.00 0.00 59.70 55.94 2opv h MET 84 Cb 1.71 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 32.65 2opv h MET 84 CO 0.16 0.59 -0.31 0.22 0.14 0.00 0.00 176.91 177.72 2opv h ASP 85 N 0.61 0.69 -0.15 1.39 3.58 -1.34 -2.61 116.42 118.60 2opv h ASP 85 Ca 0.14 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 2opv h ASP 85 Cb 0.26 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2opv h ASP 85 CO 0.00 0.96 -0.01 0.40 -2.88 0.00 0.00 179.24 177.71 2opv h ILE 86 N 0.57 1.17 0.00 2.25 2.04 -1.09 0.38 117.51 122.82 2opv h ILE 86 Ca 0.07 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2opv h ILE 86 Cb 0.81 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2opv h ILE 86 CO 0.07 0.22 0.00 -0.07 0.00 0.00 0.00 178.15 178.37 2opv h LEU 87 N 0.38 0.00 0.00 1.44 3.38 -1.04 -3.20 115.31 116.27 2opv h LEU 87 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2opv h LEU 87 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2opv h LEU 87 CO 0.01 0.00 -1.39 -2.11 0.09 0.00 0.00 178.44 175.04 2opv n ARG 88 N -3.03 0.55 0.00 1.13 1.85 -0.95 -5.12 116.66 111.09 2opv n ARG 88 Ca 0.02 -0.09 0.04 0.00 -1.00 0.00 0.00 57.85 56.82 2opv n ARG 88 Cb 0.38 -1.22 0.03 0.00 -1.05 0.00 0.00 32.46 30.60 2opv n ARG 88 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01