#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 2.58 0.00 1.61 1.13 -1.26 -4.94 117.38 116.50 2opv n GLN 6 Ca 0.00 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 51.99 2opv n GLN 6 Cb 0.00 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.27 2opv n GLN 6 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 2opv n PHE 7 N -0.85 0.00 -1.54 1.08 -1.74 -1.26 -3.01 117.46 110.15 2opv n PHE 7 Ca 0.46 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 57.35 2opv n PHE 7 Cb 1.40 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 42.40 2opv n PHE 7 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 2opv n HIS 8 N 0.00 -0.20 0.00 2.97 8.25 -1.26 -4.88 115.22 120.09 2opv n HIS 8 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2opv n HIS 8 Cb 0.00 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 29.49 2opv n HIS 8 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2opv n ASP 9 N 0.08 0.00 0.00 0.41 2.03 -1.26 -4.96 116.55 112.85 2opv n ASP 9 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2opv n ASP 9 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2opv n ASP 9 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2opv n ASN 10 N 0.00 0.00 -3.35 1.67 0.23 -1.26 -5.07 115.26 107.49 2opv n ASN 10 Ca 0.00 -0.50 -0.10 0.00 -0.53 0.00 0.00 54.58 53.46 2opv n ASN 10 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2opv s ALA 11 N 0.00 -1.07 -0.03 -2.53 0.00 -1.26 -4.98 121.76 111.89 2opv s ALA 11 Ca 0.00 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.76 2opv s ALA 11 Cb 0.00 -1.73 0.08 0.00 0.00 0.00 0.00 23.12 21.47 2opv s ALA 11 CO 0.00 -1.35 1.04 0.27 0.00 0.00 0.00 175.76 175.72 2opv n ASN 12 N 5.36 0.56 -4.21 0.00 6.94 -1.26 -4.14 115.26 118.50 2opv n ASN 12 Ca -0.03 -2.25 -0.24 0.00 -0.02 0.00 0.00 54.58 52.04 2opv n ASN 12 Cb 0.50 -0.26 -0.14 0.00 -2.36 0.00 0.00 39.78 37.52 2opv n ASN 12 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2opv s GLY 13 N -1.46 1.00 0.00 4.83 0.00 -1.26 -4.80 107.32 105.62 2opv s GLY 13 Ca 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2opv s GLY 13 CO -0.00 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.81 2opv n GLY 14 N 1.93 2.20 3.19 0.20 0.00 -1.26 -4.72 105.19 106.72 2opv n GLY 14 Ca -0.17 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 2.40 -1.36 1.61 -0.21 -1.26 -5.02 119.66 115.82 2opv s GLN 15 Ca 0.00 -1.33 -0.11 0.00 0.02 0.00 0.00 55.36 53.94 2opv s GLN 15 Cb 0.00 -3.30 0.11 0.00 1.00 0.00 0.00 33.01 30.82 2opv s GLN 15 CO 0.00 -0.70 2.04 0.09 -2.12 0.00 0.00 175.29 174.60 2opv n ASN 16 N 4.66 4.72 0.00 5.90 3.02 -1.26 -4.59 115.26 127.70 2opv n ASN 16 Ca -0.11 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 2opv n ASN 16 Cb 0.43 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 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 3.29 1.14 3.84 7.41 0.00 -1.26 -4.87 105.19 114.73 2opv n GLY 17 Ca 0.46 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 5.22 -0.07 2.61 2.01 0.65 -4.87 115.64 121.20 2opv s THR 18 Ca 0.00 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.61 2opv s THR 18 Cb 0.00 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2opv s THR 18 CO 0.00 0.57 -0.06 0.54 -0.69 0.00 0.00 174.62 174.98 2opv s VAL 19 N -0.87 0.76 -0.20 3.82 0.11 -1.25 -1.79 120.40 120.97 2opv s VAL 19 Ca 0.20 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2opv s VAL 19 Cb -0.15 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2opv s VAL 19 CO 0.09 0.29 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.94 2opv s GLN 20 N 1.16 3.20 -0.40 1.54 -0.21 -0.70 -4.93 119.66 119.31 2opv s GLN 20 Ca -0.07 -0.72 -0.20 0.00 0.02 0.00 0.00 55.36 54.39 2opv s GLN 20 Cb -0.14 -2.82 0.01 0.00 1.00 0.00 0.00 33.01 31.07 2opv s GLN 20 CO -0.01 -0.21 0.61 -1.21 -2.12 0.00 0.00 175.29 172.35 2opv s GLU 21 N 1.39 3.42 0.17 2.91 2.02 -1.24 -1.79 118.70 125.59 2opv s GLU 21 Ca 0.05 -0.25 0.05 0.00 0.02 0.00 0.00 54.97 54.84 2opv s GLU 21 Cb -0.14 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 2opv s GLU 21 CO -0.08 -0.88 0.19 0.42 0.02 0.00 0.00 175.26 174.93 2opv s ILE 22 N 2.70 4.73 -0.40 -1.63 -1.09 0.81 -4.87 121.20 121.45 2opv s ILE 22 Ca 0.22 -1.01 -0.07 0.00 -2.23 0.00 0.00 60.65 57.56 2opv s ILE 22 Cb -0.14 -3.44 0.08 0.00 -1.58 0.00 0.00 42.46 37.37 2opv s ILE 22 CO 0.17 -0.14 0.22 -0.04 -1.23 0.00 0.00 174.94 173.92 2opv s MET 23 N -3.25 2.51 -0.19 2.79 -1.94 -1.25 -0.84 119.30 117.13 2opv s MET 23 Ca 0.32 -1.47 -0.19 0.00 -1.71 0.00 0.00 55.69 52.64 2opv s MET 23 Cb -0.10 -3.68 -0.03 0.00 2.01 0.00 0.00 34.83 33.03 2opv s MET 23 CO 0.25 -0.92 0.53 0.42 -0.01 0.00 0.00 175.02 175.29 2opv s ILE 24 N 1.37 5.10 0.31 2.53 -1.09 0.34 -4.66 121.20 125.10 2opv s ILE 24 Ca 0.03 1.00 -0.27 0.00 -2.23 0.00 0.00 60.65 59.17 2opv s ILE 24 Cb -0.22 -3.86 -0.14 0.00 -1.58 0.00 0.00 42.46 36.66 2opv s ILE 24 CO 0.01 0.19 1.00 -2.65 -1.23 0.00 0.00 174.94 172.26 2opv n PRO 25 N 4.65 1.35 0.01 2.79 -0.02 -1.26 0.10 135.00 142.62 2opv n PRO 25 Ca -0.04 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2opv n PRO 25 Cb 0.50 -1.87 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.92 -0.83 0.00 3.55 0.00 -1.89 0.04 119.26 122.05 2opv h ALA 26 Ca -0.40 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2opv h ALA 26 Cb 1.34 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 2opv h ALA 26 CO 0.60 -0.99 -0.53 0.78 0.00 0.00 0.00 179.25 179.12 2opv h GLY 27 N -0.50 0.00 2.00 0.00 0.00 -1.90 -3.02 103.07 99.64 2opv h GLY 27 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2opv h GLY 27 CO -0.35 0.00 0.00 1.70 0.00 0.00 0.00 176.54 177.89 2opv h LYS 28 N 0.00 0.00 -0.01 4.80 1.63 -1.77 -2.68 116.57 118.54 2opv h LYS 28 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2opv h LYS 28 Cb 1.34 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2opv h LYS 28 CO 0.07 0.00 0.02 0.00 -3.45 0.00 0.00 179.45 176.09 2opv h ALA 29 N 2.03 1.37 0.00 5.00 0.00 -0.87 0.00 119.26 126.79 2opv h ALA 29 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2opv h ALA 29 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2opv h ALA 29 CO 0.00 -0.03 -0.02 0.78 0.00 0.00 0.00 179.25 179.98 2opv h GLY 30 N 0.00 0.00 1.08 0.00 0.00 -1.69 0.16 103.07 102.61 2opv h GLY 30 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2opv h GLY 30 CO -0.00 0.00 -1.65 1.41 0.00 0.00 0.00 176.54 176.30 2opv h LEU 31 N 0.00 0.19 -0.58 3.11 3.38 -1.22 -1.91 115.31 118.27 2opv h LEU 31 Ca -0.00 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 2opv h LEU 31 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2opv h LEU 31 CO 0.00 1.29 -0.69 1.62 0.09 0.00 0.00 178.44 180.75 2opv h VAL 32 N 0.03 1.46 0.11 1.22 3.04 -1.32 -3.23 116.25 117.56 2opv h VAL 32 Ca -0.27 -2.28 -0.24 0.00 -1.01 0.00 0.00 66.70 62.89 2opv h VAL 32 Cb 2.00 2.22 -0.00 0.00 -2.01 0.00 0.00 31.29 33.49 2opv h VAL 32 CO 0.11 0.66 -1.22 0.40 -1.01 0.00 0.00 177.57 176.51 2opv h ILE 33 N 0.07 1.15 0.00 3.17 2.04 -1.12 -3.37 117.51 119.45 2opv h ILE 33 Ca -0.01 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.44 2opv h ILE 33 Cb 1.23 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 2opv h ILE 33 CO 0.10 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.53 2opv n GLY 34 N 1.70 2.94 0.18 5.37 0.00 -0.72 -0.95 105.19 113.71 2opv n GLY 34 Ca -0.23 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 43.94 2opv n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2opv h LYS 35 N 0.00 0.00 0.00 1.61 6.56 -1.87 -3.21 116.57 119.65 2opv h LYS 35 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2opv h LYS 35 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2opv h LYS 35 CO 0.00 0.40 -0.38 0.41 -2.06 0.00 0.00 179.45 177.82 2opv n GLY 36 N -0.17 0.96 2.48 3.86 0.00 -1.26 -4.96 105.19 106.11 2opv n GLY 36 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.23 0.65 0.12 -0.02 0.00 -1.21 -4.88 105.19 99.63 2opv n GLY 37 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2opv n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2opv h GLU 38 N 1.69 0.00 -0.08 1.61 -0.00 -1.87 -3.37 114.58 112.56 2opv h GLU 38 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 2opv h GLU 38 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.79 2opv h GLU 38 CO 0.00 0.30 0.02 1.15 -0.00 0.00 0.00 179.01 180.48 2opv h THR 39 N 0.00 1.18 -0.45 -1.06 2.02 -1.88 -2.39 112.91 110.33 2opv h THR 39 Ca -0.07 -0.55 0.12 0.00 0.77 0.00 0.00 66.41 66.69 2opv h THR 39 Cb 1.38 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 2opv h THR 39 CO 0.04 0.15 0.32 -0.29 0.37 0.00 0.00 175.52 176.12 2opv h ILE 40 N -0.08 0.79 -0.09 3.11 2.10 -1.21 -0.36 117.51 121.78 2opv h ILE 40 Ca 0.02 -0.02 -0.24 0.00 1.08 0.00 0.00 64.86 65.71 2opv h ILE 40 Cb 0.23 0.74 0.01 0.00 -1.09 0.00 0.00 36.82 36.71 2opv h ILE 40 CO -0.00 0.01 -0.89 0.50 -1.08 0.00 0.00 178.15 176.69 2opv h LYS 41 N 0.05 0.73 -0.29 2.19 3.11 -1.64 -3.14 116.57 117.58 2opv h LYS 41 Ca 0.22 -0.67 -0.11 0.00 -2.81 0.00 0.00 60.65 57.28 2opv h LYS 41 Cb 0.80 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.18 2opv h LYS 41 CO -0.01 1.27 -0.27 1.96 -2.81 0.00 0.00 179.45 179.59 2opv h GLN 42 N 0.47 0.58 -0.76 1.90 4.20 -0.63 -2.90 115.11 117.97 2opv h GLN 42 Ca -0.08 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.43 2opv h GLN 42 Cb 1.52 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.23 2opv h GLN 42 CO 0.18 0.79 0.48 -0.07 -0.67 0.00 0.00 178.83 179.54 2opv h LEU 43 N 0.50 0.79 -0.85 1.46 3.38 -1.21 0.19 115.31 119.57 2opv h LEU 43 Ca 0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2opv h LEU 43 Cb 0.73 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2opv h LEU 43 CO 0.06 0.54 0.37 1.56 0.09 0.00 0.00 178.44 181.06 2opv h GLN 44 N 0.93 1.21 0.04 1.13 4.20 -1.47 -2.47 115.11 118.69 2opv h GLN 44 Ca 0.31 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2opv h GLN 44 Cb 0.03 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2opv h GLN 44 CO -0.12 0.95 -0.02 0.93 -0.67 0.00 0.00 178.83 179.90 2opv h GLU 45 N 1.19 -0.05 -0.44 1.46 4.39 -1.19 -1.86 114.58 118.09 2opv h GLU 45 Ca 0.28 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.89 2opv h GLU 45 Cb 0.16 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2opv h GLU 45 CO -0.03 0.59 -0.12 0.07 -1.16 0.00 0.00 179.01 178.36 2opv h ARG 46 N -0.75 0.80 0.00 2.33 0.11 -0.67 -2.94 114.38 113.26 2opv h ARG 46 Ca -0.00 -0.27 0.00 0.00 0.10 0.00 0.00 59.98 59.80 2opv h ARG 46 Cb 0.66 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2opv h ARG 46 CO 0.01 0.88 -1.06 0.00 0.10 0.00 0.00 179.97 179.90 2opv n ALA 47 N -2.49 3.72 -2.32 0.08 0.00 -0.93 -4.95 120.51 113.62 2opv n ALA 47 Ca 0.01 -0.46 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 2opv n ALA 47 Cb 0.37 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.41 -0.07 3.72 0.00 0.00 -0.76 -4.89 105.19 104.60 2opv n GLY 48 Ca 0.02 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.64 2.70 -0.20 1.61 -7.23 -0.87 -4.83 120.40 108.94 2opv s VAL 49 Ca 0.04 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2opv s VAL 49 Cb -0.02 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 2opv s VAL 49 CO 0.05 -0.12 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.91 2opv s LYS 50 N -3.85 3.44 -0.20 4.82 2.20 0.29 -4.34 119.74 122.10 2opv s LYS 50 Ca 0.39 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 2opv s LYS 50 Cb 0.00 -2.94 0.04 0.00 -1.51 0.00 0.00 37.83 33.42 2opv s LYS 50 CO 0.22 -0.06 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.40 2opv s MET 51 N 1.11 2.14 -0.43 4.03 -1.94 -1.26 0.15 119.30 123.10 2opv s MET 51 Ca 0.01 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 2opv s MET 51 Cb -0.15 -2.42 0.07 0.00 2.01 0.00 0.00 34.83 34.35 2opv s MET 51 CO -0.01 -0.40 0.29 -1.50 -0.01 0.00 0.00 175.02 173.39 2opv s ILE 52 N 1.38 4.57 -0.65 2.53 2.07 -0.77 -4.99 121.20 125.34 2opv s ILE 52 Ca -0.01 -1.21 -0.27 0.00 -1.41 0.00 0.00 60.65 57.75 2opv s ILE 52 Cb -0.16 -3.74 0.02 0.00 0.13 0.00 0.00 42.46 38.72 2opv s ILE 52 CO -0.09 -0.48 1.34 -0.76 -1.91 0.00 0.00 174.94 173.04 2opv s LEU 53 N 1.51 3.30 -1.07 8.50 2.01 -1.26 -2.83 118.68 128.83 2opv s LEU 53 Ca 0.03 -0.08 -0.18 0.00 0.01 0.00 0.00 54.13 53.92 2opv s LEU 53 Cb -0.23 -2.82 0.13 0.00 0.01 0.00 0.00 46.19 43.28 2opv s LEU 53 CO 0.04 -1.77 1.32 -0.63 1.01 0.00 0.00 176.35 176.32 2opv s ILE 54 N 5.91 4.67 -0.16 -0.59 1.01 -0.61 -4.65 121.20 126.78 2opv s ILE 54 Ca 0.44 -1.85 0.11 0.00 0.00 0.00 0.00 60.65 59.34 2opv s ILE 54 Cb -0.09 -4.90 -0.16 0.00 0.01 0.00 0.00 42.46 37.33 2opv s ILE 54 CO 0.20 -1.65 0.31 0.00 0.00 0.00 0.00 174.94 173.80 2opv n GLN 55 N 6.72 1.23 -0.11 2.79 10.64 -1.26 -3.77 117.38 133.61 2opv n GLN 55 Ca 0.32 -0.07 -0.13 0.00 -1.83 0.00 0.00 57.00 55.28 2opv n GLN 55 Cb 0.47 -1.19 -0.14 0.00 -0.86 0.00 0.00 30.24 28.52 2opv n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2opv n ASP 56 N -1.71 0.82 -1.73 2.61 8.00 -1.26 -4.50 116.55 118.78 2opv n ASP 56 Ca -0.01 -0.05 -0.11 0.00 0.71 0.00 0.00 54.79 55.33 2opv n ASP 56 Cb 0.26 0.44 0.03 0.00 -0.02 0.00 0.00 41.12 41.82 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 1.96 3.50 3.00 0.44 0.00 -1.26 -4.82 105.19 108.01 2opv n GLY 57 Ca -0.38 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 2opv n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2opv s SER 58 N 0.78 0.63 -0.01 1.61 1.04 -1.26 -5.01 113.70 111.47 2opv s SER 58 Ca 0.20 -0.36 0.22 0.00 0.48 0.00 0.00 55.95 56.49 2opv s SER 58 Cb 0.16 0.01 -0.26 0.00 0.10 0.00 0.00 66.02 66.02 2opv s SER 58 CO -0.00 -0.12 0.68 0.00 0.98 0.00 0.00 173.24 174.78 2opv n GLN 59 N 2.08 0.40 -0.96 4.02 -0.00 -1.26 -3.41 117.38 118.25 2opv n GLN 59 Ca -0.19 -0.11 -0.19 0.00 -0.00 0.00 0.00 57.00 56.51 2opv n GLN 59 Cb 0.56 -1.52 0.14 0.00 -0.00 0.00 0.00 30.24 29.42 2opv n GLN 59 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2opv n ASN 60 N -1.98 3.59 0.30 2.61 6.94 -1.26 -4.57 115.26 120.89 2opv n ASN 60 Ca -0.01 -3.26 0.20 0.00 -0.02 0.00 0.00 54.58 51.50 2opv n ASN 60 Cb 0.48 -0.77 1.08 0.00 -2.36 0.00 0.00 39.78 38.21 2opv n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2opv h THR 61 N 0.78 0.00 -0.01 5.53 1.03 -1.83 0.36 112.91 118.78 2opv h THR 61 Ca 0.50 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.89 2opv h THR 61 Cb 2.46 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 70.44 2opv h THR 61 CO 0.87 0.00 -0.05 0.59 -0.01 0.00 0.00 175.52 176.91 2opv n ASN 62 N -2.90 1.05 0.00 0.00 3.02 -1.26 -4.88 115.26 110.29 2opv n ASN 62 Ca -0.03 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 2opv n ASN 62 Cb 0.07 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 -0.29 0.00 -1.61 2.41 0.24 0.12 -4.86 118.33 114.34 2opv n VAL 63 Ca 0.18 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 62.02 2opv n VAL 63 Cb 0.30 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.00 1.74 -4.70 -1.34 9.92 -1.25 -3.66 116.55 117.26 2opv n ASP 64 Ca 0.00 1.16 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 2opv n ASP 64 Cb 0.00 -1.31 -0.09 0.00 -0.64 0.00 0.00 41.12 39.09 2opv n ASP 64 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2opv s LYS 65 N -0.91 4.14 -0.17 -1.24 -0.14 0.28 -4.67 119.74 117.03 2opv s LYS 65 Ca 0.66 -0.19 -0.29 0.00 -1.36 0.00 0.00 55.97 54.79 2opv s LYS 65 Cb -0.73 -3.48 -0.05 0.00 -1.68 0.00 0.00 37.83 31.89 2opv s LYS 65 CO 0.55 0.17 1.86 -2.14 -0.76 0.00 0.00 175.35 175.04 2opv s PRO 66 N 0.72 3.66 -0.11 -1.68 0.02 -1.25 -0.51 135.00 135.85 2opv s PRO 66 Ca 0.09 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.08 2opv s PRO 66 Cb -0.12 -4.16 0.01 0.00 0.02 0.00 0.00 34.50 30.24 2opv s PRO 66 CO 0.02 -1.48 -0.19 -1.17 -0.33 0.00 0.00 177.00 173.85 2opv s LEU 67 N 6.00 1.90 -0.28 -5.54 2.96 -0.02 -1.58 118.68 122.12 2opv s LEU 67 Ca 0.83 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2opv s LEU 67 Cb -0.31 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.15 2opv s LEU 67 CO 0.34 0.06 0.05 -0.13 -1.32 0.00 0.00 176.35 175.35 2opv s ARG 68 N 0.78 3.15 -0.33 1.98 0.52 -1.13 -0.14 118.95 123.78 2opv s ARG 68 Ca -0.10 -0.81 -0.15 0.00 -0.52 0.00 0.00 55.73 54.16 2opv s ARG 68 Cb -0.16 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 2opv s ARG 68 CO 0.01 -0.39 0.34 0.42 0.02 0.00 0.00 175.30 175.70 2opv s ILE 69 N 1.49 5.19 -0.01 1.52 1.09 -0.74 -1.85 121.20 127.89 2opv s ILE 69 Ca 0.03 0.04 0.08 0.00 -1.10 0.00 0.00 60.65 59.70 2opv s ILE 69 Cb -0.17 -3.79 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 2opv s ILE 69 CO 0.01 -0.05 -0.25 -0.63 -0.10 0.00 0.00 174.94 173.92 2opv s ILE 70 N 1.97 2.17 -5.00 2.92 1.01 0.12 -1.72 121.20 122.66 2opv s ILE 70 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2opv s ILE 70 Cb -0.17 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2opv s ILE 70 CO 0.11 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.21 2opv n GLY 71 N 2.32 -0.31 3.76 6.18 0.00 -0.74 -0.55 105.19 115.87 2opv n GLY 71 Ca -0.16 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 6.45 0.34 1.61 1.11 -1.26 -0.25 116.67 120.67 2opv s ASP 72 Ca 0.00 2.91 0.14 0.00 0.18 0.00 0.00 52.55 55.78 2opv s ASP 72 Cb 0.00 -2.65 1.12 0.00 1.07 0.00 0.00 42.92 42.46 2opv s ASP 72 CO 0.00 -0.83 1.62 -0.65 1.18 0.00 0.00 175.17 176.49 2opv h PRO 73 N 4.13 0.15 0.09 8.23 0.11 -1.86 -1.61 132.00 141.23 2opv h PRO 73 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2opv h PRO 73 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2opv h PRO 73 CO 0.73 0.10 -0.04 1.88 -0.21 0.00 0.00 178.00 180.45 2opv h TYR 74 N 0.15 -0.11 -0.19 0.65 0.05 -1.96 -3.01 116.97 112.55 2opv h TYR 74 Ca 0.75 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.49 2opv h TYR 74 Cb 1.80 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 39.56 2opv h TYR 74 CO -0.09 0.33 -0.03 1.57 -1.05 0.00 0.00 178.16 178.90 2opv h LYS 75 N -0.59 0.28 -0.32 4.88 2.10 -1.67 -0.14 116.57 121.11 2opv h LYS 75 Ca -0.01 -0.05 0.04 0.00 -2.00 0.00 0.00 60.65 58.63 2opv h LYS 75 Cb 0.49 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.73 2opv h LYS 75 CO 0.02 0.34 0.10 0.28 -2.00 0.00 0.00 179.45 178.18 2opv h VAL 76 N 0.28 0.89 -0.23 0.07 2.07 -1.31 0.60 116.25 118.62 2opv h VAL 76 Ca 0.06 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 2opv h VAL 76 Cb 0.24 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2opv h VAL 76 CO 0.01 0.04 -0.40 1.56 0.02 0.00 0.00 177.57 178.80 2opv h GLN 77 N 0.23 0.68 -0.76 1.57 1.08 -1.28 -0.05 115.11 116.56 2opv h GLN 77 Ca 0.15 -0.42 0.01 0.00 -1.45 0.00 0.00 58.65 56.93 2opv h GLN 77 Cb 0.13 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 2opv h GLN 77 CO -0.17 1.04 0.50 1.96 -0.95 0.00 0.00 178.83 181.21 2opv h GLN 78 N 0.38 1.01 -0.19 1.46 4.20 -0.70 0.17 115.11 121.44 2opv h GLN 78 Ca 0.01 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 2opv h GLN 78 Cb 1.00 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2opv h GLN 78 CO 0.09 0.68 -0.56 0.00 -0.67 0.00 0.00 178.83 178.37 2opv h ALA 79 N 1.27 0.67 0.47 3.87 0.00 0.22 -0.79 119.26 124.97 2opv h ALA 79 Ca 0.28 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2opv h ALA 79 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2opv h ALA 79 CO -0.06 0.69 -0.23 0.00 0.00 0.00 0.00 179.25 179.66 2opv h GLU 81 N -0.69 0.01 0.26 0.00 5.08 -0.68 0.40 114.58 118.95 2opv h GLU 81 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2opv h GLU 81 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2opv h GLU 81 CO 0.11 0.08 -0.12 1.98 -1.00 0.00 0.00 179.01 180.06 2opv h MET 82 N 0.01 -0.33 0.06 2.33 4.05 -0.78 -0.80 114.93 119.47 2opv h MET 82 Ca 0.00 0.02 -0.23 0.00 -0.28 0.00 0.00 59.70 59.21 2opv h MET 82 Cb 0.14 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2opv h MET 82 CO 0.01 -0.06 -1.07 -0.39 0.23 0.00 0.00 176.91 175.63 2opv h VAL 83 N -0.58 1.54 -0.33 -5.77 -1.51 -0.67 -3.13 116.25 105.80 2opv h VAL 83 Ca -0.04 -2.99 -0.09 0.00 -1.23 0.00 0.00 66.70 62.36 2opv h VAL 83 Cb 0.42 2.76 -0.02 0.00 -2.13 0.00 0.00 31.29 32.33 2opv h VAL 83 CO 0.06 0.87 -0.16 -0.03 -1.23 0.00 0.00 177.57 177.07 2opv h MET 84 N 0.08 0.60 -0.83 5.19 -1.53 -0.28 -2.23 114.93 115.93 2opv h MET 84 Ca -0.08 -0.20 0.00 0.00 -3.44 0.00 0.00 59.70 55.99 2opv h MET 84 Cb 1.77 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 32.73 2opv h MET 84 CO 0.16 0.74 0.54 0.22 0.14 0.00 0.00 176.91 178.71 2opv h ASP 85 N 0.55 0.97 0.43 1.39 3.58 -1.10 0.43 116.42 122.67 2opv h ASP 85 Ca 0.09 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2opv h ASP 85 Cb 0.59 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2opv h ASP 85 CO 0.04 0.72 -0.24 0.40 -2.88 0.00 0.00 179.24 177.27 2opv h ILE 86 N 1.13 0.90 0.00 2.25 2.04 -1.36 -1.54 117.51 120.93 2opv h ILE 86 Ca 0.30 -0.92 -0.25 0.00 1.00 0.00 0.00 64.86 64.99 2opv h ILE 86 Cb -0.10 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2opv h ILE 86 CO -0.06 0.24 -1.69 0.18 0.00 0.00 0.00 178.15 176.81 2opv n LEU 87 N -3.85 0.73 0.05 1.44 4.77 -0.39 -3.95 117.00 115.80 2opv n LEU 87 Ca -0.02 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 2opv n LEU 87 Cb 0.33 0.17 0.30 0.00 -2.33 0.00 0.00 43.42 41.89 2opv n LEU 87 CO 0.35 0.30 0.56 0.54 -1.33 0.00 0.00 177.39 177.81 2opv n ARG 88 N -2.93 0.18 0.00 3.23 5.12 0.14 -5.09 116.66 117.31 2opv n ARG 88 Ca -0.16 0.08 0.14 0.00 -1.93 0.00 0.00 57.85 55.98 2opv n ARG 88 Cb 0.97 -1.64 0.57 0.00 -1.16 0.00 0.00 32.46 31.20 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79