#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv h GLN 6 N 0.00 -0.66 0.00 1.61 4.20 -1.99 -3.48 115.11 114.80 2opv h GLN 6 Ca 0.00 0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2opv h GLN 6 Cb 0.00 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2opv h GLN 6 CO 0.00 -0.44 0.26 1.97 -0.67 0.00 0.00 178.83 179.96 2opv n PHE 7 N -5.47 -1.52 -2.70 2.96 -1.74 -1.26 -5.01 117.46 102.72 2opv n PHE 7 Ca -0.07 -1.01 -0.07 0.00 -0.56 0.00 0.00 57.45 55.73 2opv n PHE 7 Cb 0.39 0.50 0.10 0.00 1.52 0.00 0.00 39.48 41.99 2opv n PHE 7 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 2opv n HIS 8 N -0.39 -2.26 -0.09 2.97 -0.00 -1.26 -4.68 115.22 109.51 2opv n HIS 8 Ca -0.04 -1.79 -0.08 0.00 0.46 0.00 0.00 57.72 56.28 2opv n HIS 8 Cb 0.37 1.55 -0.06 0.00 -0.12 0.00 0.00 29.99 31.74 2opv n HIS 8 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2opv h ASP 9 N 2.14 -1.07 0.00 0.26 3.58 -1.89 -2.18 116.42 117.26 2opv h ASP 9 Ca -0.28 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2opv h ASP 9 Cb 1.25 0.44 0.00 0.00 1.72 0.00 0.00 39.33 42.73 2opv h ASP 9 CO -0.04 -0.22 -0.93 0.59 -2.88 0.00 0.00 179.24 175.75 2opv n ASN 10 N -4.21 4.22 -2.32 2.28 5.03 -1.26 -4.48 115.26 114.51 2opv n ASN 10 Ca -0.02 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.35 2opv n ASN 10 Cb 0.19 0.24 -0.00 0.00 -1.02 0.00 0.00 39.78 39.19 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2opv n ALA 11 N -2.16 -0.65 -2.71 5.41 0.00 -1.26 -4.99 120.51 114.16 2opv n ALA 11 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 53.44 52.37 2opv n ALA 11 Cb 0.47 0.82 0.04 0.00 0.00 0.00 0.00 19.45 20.78 2opv n ALA 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2opv n ASN 12 N -1.60 -2.26 0.00 0.00 2.85 -1.26 -4.35 115.26 108.64 2opv n ASN 12 Ca -0.02 -2.15 0.00 0.00 -0.11 0.00 0.00 54.58 52.30 2opv n ASN 12 Cb 0.41 1.23 0.00 0.00 1.24 0.00 0.00 39.78 42.66 2opv n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2opv n GLY 13 N 2.24 0.73 1.54 8.20 0.00 -1.26 -1.33 105.19 115.31 2opv n GLY 13 Ca 0.10 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.69 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 1.02 3.33 -0.02 0.00 -1.26 -5.09 105.19 103.17 2opv n GLY 14 Ca 0.00 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.11 1.97 0.45 1.61 0.74 -0.44 -5.14 119.66 118.74 2opv s GLN 15 Ca 0.34 -1.01 -0.08 0.00 0.05 0.00 0.00 55.36 54.66 2opv s GLN 15 Cb 0.39 -2.02 0.10 0.00 1.10 0.00 0.00 33.01 32.58 2opv s GLN 15 CO -0.17 0.54 0.61 0.27 -0.55 0.00 0.00 175.29 175.99 2opv n ASN 16 N 2.12 0.05 0.00 6.67 0.23 -1.26 -4.35 115.26 118.72 2opv n ASN 16 Ca -0.16 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 2opv n ASN 16 Cb 0.51 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2opv n GLY 17 N 1.03 2.28 3.70 4.83 0.00 -1.26 -4.73 105.19 111.04 2opv n GLY 17 Ca 0.08 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 2.10 5.24 -0.04 2.61 2.01 -0.97 -4.96 115.64 121.63 2opv s THR 18 Ca 0.00 0.66 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 2opv s THR 18 Cb 0.00 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.84 2opv s THR 18 CO 0.00 0.31 0.01 0.54 -0.69 0.00 0.00 174.62 174.80 2opv s VAL 19 N 0.91 0.17 -0.20 3.82 0.11 -1.26 -1.10 120.40 122.85 2opv s VAL 19 Ca 0.19 0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.35 2opv s VAL 19 Cb -0.14 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 2opv s VAL 19 CO 0.07 0.18 -0.02 -1.10 -3.33 0.00 0.00 175.10 170.90 2opv s GLN 20 N 1.44 3.55 -0.28 1.54 -0.21 -0.76 -4.92 119.66 120.02 2opv s GLN 20 Ca -0.04 -0.55 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 2opv s GLN 20 Cb -0.13 -3.04 -0.05 0.00 1.00 0.00 0.00 33.01 30.79 2opv s GLN 20 CO -0.03 -0.04 0.20 -1.21 -2.12 0.00 0.00 175.29 172.10 2opv s GLU 21 N 1.10 3.97 0.12 2.91 2.02 -1.25 -1.71 118.70 125.86 2opv s GLU 21 Ca 0.02 -0.29 0.05 0.00 0.02 0.00 0.00 54.97 54.77 2opv s GLU 21 Cb -0.14 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 2opv s GLU 21 CO 0.01 -0.17 0.07 0.42 0.02 0.00 0.00 175.26 175.62 2opv s ILE 22 N 1.72 4.32 -0.73 -1.63 -1.09 -0.01 -4.90 121.20 118.89 2opv s ILE 22 Ca 0.08 -0.98 -0.11 0.00 -2.23 0.00 0.00 60.65 57.40 2opv s ILE 22 Cb -0.16 -3.13 0.19 0.00 -1.58 0.00 0.00 42.46 37.78 2opv s ILE 22 CO 0.10 0.02 0.63 -0.04 -1.23 0.00 0.00 174.94 174.43 2opv s MET 23 N -2.66 3.22 0.11 2.79 -1.94 -1.25 -1.74 119.30 117.83 2opv s MET 23 Ca 0.29 -2.36 -0.30 0.00 -1.71 0.00 0.00 55.69 51.61 2opv s MET 23 Cb -0.11 -4.21 -0.06 0.00 2.01 0.00 0.00 34.83 32.46 2opv s MET 23 CO 0.21 -1.26 0.96 0.42 -0.01 0.00 0.00 175.02 175.35 2opv s ILE 24 N 0.32 4.48 -0.01 2.53 -1.09 0.08 -4.68 121.20 122.83 2opv s ILE 24 Ca 0.15 2.06 -0.38 0.00 -2.23 0.00 0.00 60.65 60.26 2opv s ILE 24 Cb -0.16 -4.32 -0.16 0.00 -1.58 0.00 0.00 42.46 36.24 2opv s ILE 24 CO -0.06 0.32 1.45 -2.65 -1.23 0.00 0.00 174.94 172.77 2opv n PRO 25 N 2.76 1.17 -0.04 2.79 -0.02 -1.26 -1.15 135.00 139.25 2opv n PRO 25 Ca 0.02 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 2opv n PRO 25 Cb 0.49 -2.08 0.38 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 5.30 1.64 -0.07 3.55 0.00 -1.89 -1.09 119.26 126.70 2opv h ALA 26 Ca -0.47 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 2opv h ALA 26 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2opv h ALA 26 CO 0.83 0.32 -0.63 0.78 0.00 0.00 0.00 179.25 180.55 2opv h GLY 27 N 0.66 0.27 -2.46 0.00 0.00 -1.91 -3.11 103.07 96.52 2opv h GLY 27 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2opv h GLY 27 CO -0.03 0.31 0.00 0.28 0.00 0.00 0.00 176.54 177.10 2opv n LYS 28 N -3.85 3.39 0.22 4.80 5.02 -0.91 -4.40 118.16 122.42 2opv n LYS 28 Ca -0.03 -2.70 0.06 0.00 -2.02 0.00 0.00 58.31 53.62 2opv n LYS 28 Cb 0.64 -1.74 0.48 0.00 -0.02 0.00 0.00 35.03 34.39 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2opv h ALA 29 N 3.34 1.48 0.00 7.82 0.00 -1.15 -2.22 119.26 128.54 2opv h ALA 29 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2opv h ALA 29 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2opv h ALA 29 CO 0.17 0.31 -0.27 0.78 0.00 0.00 0.00 179.25 180.24 2opv h GLY 30 N 0.86 0.00 1.19 0.00 0.00 -1.80 -2.71 103.07 100.61 2opv h GLY 30 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2opv h GLY 30 CO 0.03 0.00 -0.56 1.41 0.00 0.00 0.00 176.54 177.43 2opv h LEU 31 N 0.00 0.94 -0.92 3.11 3.38 -1.72 0.42 115.31 120.52 2opv h LEU 31 Ca -0.00 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 2opv h LEU 31 Cb 0.48 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2opv h LEU 31 CO 0.04 1.30 -0.50 0.58 0.09 0.00 0.00 178.44 179.94 2opv h VAL 32 N 0.65 1.25 0.10 1.22 2.07 -1.52 -2.69 116.25 117.33 2opv h VAL 32 Ca 0.01 -1.79 -0.27 0.00 0.82 0.00 0.00 66.70 65.47 2opv h VAL 32 Cb 1.16 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2opv h VAL 32 CO 0.12 0.49 -1.28 0.40 0.02 0.00 0.00 177.57 177.32 2opv h ILE 33 N 0.00 1.44 0.00 4.57 2.04 -1.40 -3.37 117.51 120.79 2opv h ILE 33 Ca -0.01 -3.05 0.00 0.00 1.00 0.00 0.00 64.86 62.80 2opv h ILE 33 Cb 0.95 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 2opv h ILE 33 CO 0.07 0.88 0.00 0.61 0.00 0.00 0.00 178.15 179.70 2opv n GLY 34 N 1.53 1.71 5.00 5.37 0.00 0.34 -1.40 105.19 117.74 2opv n GLY 34 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.19 0.00 -0.12 1.61 4.76 0.12 -3.82 118.16 119.52 2opv n LYS 35 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 2opv n LYS 35 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 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 0.00 -0.38 0.00 0.72 0.00 -1.26 -5.01 105.19 99.25 2opv n GLY 36 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.30 0.30 0.13 -0.02 0.00 -1.23 -5.01 105.19 101.66 2opv n GLY 37 Ca -0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.37 0.08 1.61 9.09 -1.80 -3.24 114.58 120.70 2opv h GLU 38 Ca 0.00 -0.52 -0.00 0.00 0.05 0.00 0.00 59.36 58.89 2opv h GLU 38 Cb 0.00 0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2opv h GLU 38 CO 0.00 1.20 -0.04 1.15 0.05 0.00 0.00 179.01 181.37 2opv h THR 39 N 0.16 1.00 -0.76 -1.06 2.02 -1.79 -1.94 112.91 110.54 2opv h THR 39 Ca -0.13 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 66.84 2opv h THR 39 Cb 1.83 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 69.38 2opv h THR 39 CO 0.20 0.08 0.50 -0.29 0.37 0.00 0.00 175.52 176.37 2opv h ILE 40 N -0.25 0.95 -0.34 3.11 2.10 -1.35 0.28 117.51 122.01 2opv h ILE 40 Ca -0.01 -0.24 -0.12 0.00 1.08 0.00 0.00 64.86 65.57 2opv h ILE 40 Cb 0.21 0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 36.12 2opv h ILE 40 CO 0.02 0.13 -0.26 0.50 -1.08 0.00 0.00 178.15 177.45 2opv h LYS 41 N 0.69 0.69 -0.16 2.19 3.11 -1.52 -3.04 116.57 118.53 2opv h LYS 41 Ca 0.35 -0.29 -0.15 0.00 -2.81 0.00 0.00 60.65 57.75 2opv h LYS 41 Cb 0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2opv h LYS 41 CO -0.13 0.88 -0.49 1.96 -2.81 0.00 0.00 179.45 178.87 2opv h GLN 42 N 0.60 0.62 -0.83 1.90 4.20 -0.18 -3.29 115.11 118.12 2opv h GLN 42 Ca 0.08 -0.45 0.14 0.00 0.06 0.00 0.00 58.65 58.48 2opv h GLN 42 Cb 0.76 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.52 2opv h GLN 42 CO 0.06 1.07 0.43 -0.07 -0.67 0.00 0.00 178.83 179.65 2opv h LEU 43 N 0.28 0.52 -0.45 1.46 3.38 -0.44 -0.32 115.31 119.74 2opv h LEU 43 Ca -0.02 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2opv h LEU 43 Cb 1.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2opv h LEU 43 CO 0.10 0.23 0.08 1.56 0.09 0.00 0.00 178.44 180.51 2opv h GLN 44 N 0.63 0.20 -0.52 1.13 4.20 -1.60 -1.90 115.11 117.26 2opv h GLN 44 Ca 0.45 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.04 2opv h GLN 44 Cb 0.61 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2opv h GLN 44 CO -0.35 0.14 -0.10 0.93 -0.67 0.00 0.00 178.83 178.78 2opv h GLU 45 N 0.21 0.97 -0.54 1.46 4.39 -1.22 -1.16 114.58 118.69 2opv h GLU 45 Ca 0.22 -0.34 0.05 0.00 0.34 0.00 0.00 59.36 59.63 2opv h GLU 45 Cb 0.29 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 2opv h GLU 45 CO -0.30 1.01 0.27 0.00 -1.16 0.00 0.00 179.01 178.84 2opv h ARG 46 N 0.87 0.51 0.00 2.33 2.47 -0.35 -2.59 114.38 117.62 2opv h ARG 46 Ca 0.14 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2opv h ARG 46 Cb 0.64 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2opv h ARG 46 CO 0.04 0.34 -1.54 0.00 0.56 0.00 0.00 179.97 179.37 2opv n ALA 47 N -2.34 2.63 -1.88 0.04 0.00 -1.11 -4.99 120.51 112.87 2opv n ALA 47 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2opv n ALA 47 Cb 0.15 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.24 0.57 3.39 0.00 0.00 -0.77 -4.73 105.19 104.88 2opv n GLY 48 Ca -0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.80 0.00 -0.27 1.61 -7.23 -0.51 -4.62 120.40 106.59 2opv s VAL 49 Ca 0.00 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 2opv s VAL 49 Cb 0.00 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 2opv s VAL 49 CO 0.00 0.00 0.17 -0.75 -0.31 0.00 0.00 175.10 174.21 2opv s LYS 50 N -3.97 3.97 -0.16 4.82 2.36 0.37 -4.44 119.74 122.69 2opv s LYS 50 Ca 0.32 -0.32 -0.00 0.00 -2.55 0.00 0.00 55.97 53.42 2opv s LYS 50 Cb 0.03 -3.60 -0.01 0.00 -1.05 0.00 0.00 37.83 33.20 2opv s LYS 50 CO 0.12 -0.11 -0.13 -1.64 1.55 0.00 0.00 175.35 175.15 2opv s MET 51 N 1.53 3.29 -0.32 4.03 -1.94 -1.26 -0.26 119.30 124.36 2opv s MET 51 Ca 0.07 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 2opv s MET 51 Cb -0.15 -2.68 0.08 0.00 2.01 0.00 0.00 34.83 34.09 2opv s MET 51 CO 0.09 0.04 0.02 -1.50 -0.01 0.00 0.00 175.02 173.66 2opv s ILE 52 N 0.77 2.50 -0.68 2.53 2.07 -0.68 -4.97 121.20 122.74 2opv s ILE 52 Ca -0.05 -1.98 -0.27 0.00 -1.41 0.00 0.00 60.65 56.93 2opv s ILE 52 Cb -0.15 -2.67 0.02 0.00 0.13 0.00 0.00 42.46 39.79 2opv s ILE 52 CO 0.01 -0.39 1.33 -0.76 -1.91 0.00 0.00 174.94 173.21 2opv s LEU 53 N 1.04 3.25 -0.91 8.50 2.01 -1.26 -2.40 118.68 128.91 2opv s LEU 53 Ca 0.03 -0.20 -0.24 0.00 0.01 0.00 0.00 54.13 53.73 2opv s LEU 53 Cb -0.20 -2.73 0.01 0.00 0.01 0.00 0.00 46.19 43.28 2opv s LEU 53 CO -0.06 -1.80 1.61 -0.63 1.01 0.00 0.00 176.35 176.48 2opv s ILE 54 N 5.91 3.70 0.00 -0.59 1.01 -0.98 -4.43 121.20 125.82 2opv s ILE 54 Ca 0.41 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2opv s ILE 54 Cb -0.09 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.76 2opv s ILE 54 CO 0.19 -1.54 0.00 0.00 0.00 0.00 0.00 174.94 173.59 2opv n GLN 55 N 8.97 2.07 0.07 2.79 -0.00 -1.26 -4.42 117.38 125.61 2opv n GLN 55 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 57.29 2opv n GLN 55 Cb 0.50 -0.84 -0.05 0.00 -0.00 0.00 0.00 30.24 29.84 2opv n GLN 55 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2opv h ASP 56 N 0.00 0.00 0.50 2.61 2.03 -2.01 -3.25 116.42 116.30 2opv h ASP 56 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2opv h ASP 56 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 2opv h ASP 56 CO 0.00 0.66 -0.29 0.61 -1.03 0.00 0.00 179.24 179.19 2opv n GLY 57 N 1.34 -1.10 3.60 7.15 0.00 -1.26 -4.89 105.19 110.02 2opv n GLY 57 Ca -0.04 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 2opv n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2opv s SER 58 N -2.79 4.55 0.00 1.61 0.01 -1.23 -4.95 113.70 110.91 2opv s SER 58 Ca 0.18 -0.32 0.09 0.00 1.31 0.00 0.00 55.95 57.22 2opv s SER 58 Cb 0.19 -0.94 0.13 0.00 0.21 0.00 0.00 66.02 65.61 2opv s SER 58 CO 0.59 0.19 0.93 0.00 0.41 0.00 0.00 173.24 175.36 2opv n GLN 59 N 0.78 1.11 -0.32 12.44 6.02 -1.26 -4.46 117.38 131.69 2opv n GLN 59 Ca -0.13 -1.34 0.05 0.00 -0.01 0.00 0.00 57.00 55.56 2opv n GLN 59 Cb 0.52 -1.19 0.18 0.00 1.02 0.00 0.00 30.24 30.77 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 0.48 2.66 0.22 1.08 4.13 -1.26 -4.15 115.26 118.41 2opv n ASN 60 Ca 0.07 -2.24 0.15 0.00 1.68 0.00 0.00 54.58 54.24 2opv n ASN 60 Cb 0.29 -0.43 0.67 0.00 -1.54 0.00 0.00 39.78 38.77 2opv n ASN 60 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2opv h THR 61 N 2.03 0.00 -0.00 3.41 2.02 -1.84 -0.12 112.91 118.39 2opv h THR 61 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2opv h THR 61 Cb 0.87 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2opv h THR 61 CO 0.13 0.00 -0.08 0.59 0.37 0.00 0.00 175.52 176.53 2opv n ASN 62 N -2.69 0.47 0.00 4.18 4.13 -1.26 -4.84 115.26 115.25 2opv n ASN 62 Ca 0.00 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.57 2opv n ASN 62 Cb 0.22 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2opv n VAL 63 N -0.88 0.00 -1.61 2.41 0.24 -0.06 -4.94 118.33 113.49 2opv n VAL 63 Ca 0.16 0.00 -0.47 0.00 -2.04 0.00 0.00 64.34 61.99 2opv n VAL 63 Cb 0.26 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 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 1.83 -4.54 -1.34 9.92 -1.26 -4.05 116.55 117.11 2opv n ASP 64 Ca 0.00 1.15 -0.38 0.00 -0.53 0.00 0.00 54.79 55.03 2opv n ASP 64 Cb 0.00 -1.30 -0.11 0.00 -0.64 0.00 0.00 41.12 39.07 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 -0.56 3.80 0.05 -1.24 -0.14 -0.30 -4.71 119.74 116.65 2opv s LYS 65 Ca 0.69 -0.41 -0.31 0.00 -1.36 0.00 0.00 55.97 54.59 2opv s LYS 65 Cb -0.76 -3.60 -0.07 0.00 -1.68 0.00 0.00 37.83 31.72 2opv s LYS 65 CO 0.52 -0.22 1.53 -2.14 -0.76 0.00 0.00 175.35 174.28 2opv s PRO 66 N 1.72 4.24 -0.05 -1.68 0.02 -1.26 -0.75 135.00 137.24 2opv s PRO 66 Ca 0.07 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.27 2opv s PRO 66 Cb -0.16 -3.53 0.02 0.00 0.02 0.00 0.00 34.50 30.85 2opv s PRO 66 CO 0.09 -0.64 -0.04 -1.17 -0.33 0.00 0.00 177.00 174.90 2opv s LEU 67 N 2.32 1.24 -0.27 -5.54 2.96 -0.71 -2.32 118.68 116.35 2opv s LEU 67 Ca 0.69 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 2opv s LEU 67 Cb -0.37 -0.49 0.05 0.00 0.50 0.00 0.00 46.19 45.88 2opv s LEU 67 CO 0.30 -0.07 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.07 2opv s ARG 68 N 1.09 2.47 -0.52 1.98 0.52 -1.01 -0.83 118.95 122.65 2opv s ARG 68 Ca -0.08 -1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 53.72 2opv s ARG 68 Cb -0.14 -3.01 0.06 0.00 0.52 0.00 0.00 34.95 32.39 2opv s ARG 68 CO -0.01 -0.54 0.63 0.42 0.02 0.00 0.00 175.30 175.82 2opv s ILE 69 N 1.21 4.88 -0.18 1.52 1.09 -0.70 -1.69 121.20 127.33 2opv s ILE 69 Ca -0.05 -0.58 -0.04 0.00 -1.10 0.00 0.00 60.65 58.87 2opv s ILE 69 Cb -0.19 -4.32 -0.02 0.00 -1.06 0.00 0.00 42.46 36.87 2opv s ILE 69 CO -0.04 -0.84 -0.02 -0.63 -0.10 0.00 0.00 174.94 173.32 2opv s ILE 70 N 2.59 3.89 0.00 2.92 1.01 0.64 -1.82 121.20 130.43 2opv s ILE 70 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2opv s ILE 70 Cb -0.20 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.53 2opv s ILE 70 CO 0.11 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2opv n GLY 71 N 3.98 -0.60 3.78 6.18 0.00 -0.26 -0.48 105.19 117.80 2opv n GLY 71 Ca -0.17 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 6.74 0.34 1.61 -1.08 -0.82 -2.29 116.67 117.17 2opv s ASP 72 Ca 0.00 0.88 0.12 0.00 -0.52 0.00 0.00 52.55 53.03 2opv s ASP 72 Cb 0.00 -2.26 1.08 0.00 -1.46 0.00 0.00 42.92 40.28 2opv s ASP 72 CO 0.00 0.19 1.55 -2.65 0.52 0.00 0.00 175.17 174.77 2opv n PRO 73 N 2.65 -0.07 0.09 4.34 -0.02 -1.26 0.08 135.00 140.81 2opv n PRO 73 Ca -0.11 1.41 -0.12 0.00 -2.02 0.00 0.00 63.50 62.65 2opv n PRO 73 Cb 0.52 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 2opv n PRO 73 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2opv h TYR 74 N 0.00 -0.25 0.00 6.00 3.20 -2.00 -2.60 116.97 121.32 2opv h TYR 74 Ca 0.73 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.53 2opv h TYR 74 Cb 1.78 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.13 2opv h TYR 74 CO -0.22 0.13 -0.32 1.57 -1.64 0.00 0.00 178.16 177.69 2opv h LYS 75 N -0.71 0.00 -0.14 1.82 -0.00 -1.48 -1.55 116.57 114.50 2opv h LYS 75 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.59 2opv h LYS 75 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.71 2opv h LYS 75 CO 0.04 0.32 -0.07 0.28 -0.00 0.00 0.00 179.45 180.02 2opv h VAL 76 N 0.00 1.14 0.01 0.07 2.07 -0.34 0.48 116.25 119.68 2opv h VAL 76 Ca -0.00 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2opv h VAL 76 Cb 0.96 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2opv h VAL 76 CO 0.04 0.19 -0.16 -0.61 0.02 0.00 0.00 177.57 177.05 2opv h GLN 77 N 0.21 0.10 -0.75 1.57 -0.00 -1.01 -2.22 115.11 113.01 2opv h GLN 77 Ca 0.05 -0.11 0.09 0.00 -0.00 0.00 0.00 58.65 58.68 2opv h GLN 77 Cb 0.27 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.71 2opv h GLN 77 CO 0.01 0.90 0.39 1.96 0.00 0.00 0.00 178.83 182.10 2opv h GLN 78 N -0.66 0.65 -0.70 1.69 4.20 -1.05 -0.87 115.11 118.38 2opv h GLN 78 Ca -0.02 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2opv h GLN 78 Cb 0.96 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2opv h GLN 78 CO 0.03 0.43 0.16 0.00 -0.67 0.00 0.00 178.83 178.78 2opv h ALA 79 N 1.43 0.92 -0.23 3.87 0.00 -0.08 -0.25 119.26 124.92 2opv h ALA 79 Ca 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2opv h ALA 79 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2opv h ALA 79 CO -0.26 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.67 2opv h GLU 81 N 0.18 0.00 0.19 0.00 4.11 -1.07 0.93 114.58 118.92 2opv h GLU 81 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 2opv h GLU 81 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2opv h GLU 81 CO 0.01 0.00 -0.09 1.98 0.07 0.00 0.00 179.01 180.98 2opv h MET 82 N 0.00 -0.24 0.00 1.06 4.05 -0.53 -2.47 114.93 116.80 2opv h MET 82 Ca 0.00 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 2opv h MET 82 Cb 0.52 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 2opv h MET 82 CO 0.00 0.16 -0.74 -0.39 0.23 0.00 0.00 176.91 176.17 2opv h VAL 83 N -0.85 1.53 -0.06 -5.77 -1.51 -1.03 -2.73 116.25 105.81 2opv h VAL 83 Ca -0.03 -2.55 -0.12 0.00 -1.23 0.00 0.00 66.70 62.78 2opv h VAL 83 Cb 0.52 2.38 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2opv h VAL 83 CO 0.04 0.73 -0.49 -0.03 -1.23 0.00 0.00 177.57 176.59 2opv h MET 84 N 0.00 0.16 -0.68 5.19 -1.53 -0.94 -2.70 114.93 114.43 2opv h MET 84 Ca -0.01 -0.09 0.00 0.00 -3.44 0.00 0.00 59.70 56.17 2opv h MET 84 Cb 1.32 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.34 2opv h MET 84 CO 0.10 0.62 0.42 0.22 0.14 0.00 0.00 176.91 178.41 2opv h ASP 85 N 0.13 0.79 0.75 1.39 3.58 -1.12 -0.15 116.42 121.80 2opv h ASP 85 Ca 0.00 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2opv h ASP 85 Cb 0.91 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 2opv h ASP 85 CO 0.07 0.60 -0.14 0.40 -2.88 0.00 0.00 179.24 177.29 2opv h ILE 86 N 0.93 0.42 0.00 2.25 2.04 -1.44 -1.07 117.51 120.64 2opv h ILE 86 Ca 0.25 -0.79 -0.29 0.00 1.00 0.00 0.00 64.86 65.03 2opv h ILE 86 Cb -0.07 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2opv h ILE 86 CO -0.05 0.14 -1.66 -0.07 0.00 0.00 0.00 178.15 176.51 2opv h LEU 87 N 0.00 0.01 -0.38 1.44 3.38 -1.01 -3.20 115.31 115.56 2opv h LEU 87 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2opv h LEU 87 Cb 0.56 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2opv h LEU 87 CO 0.02 1.03 -0.11 -2.11 0.09 0.00 0.00 178.44 177.35 2opv n ARG 88 N -3.08 0.90 0.00 1.13 1.85 -0.36 -5.10 116.66 111.99 2opv n ARG 88 Ca -0.16 -0.38 0.15 0.00 -1.00 0.00 0.00 57.85 56.47 2opv n ARG 88 Cb 1.04 -1.49 0.83 0.00 -1.05 0.00 0.00 32.46 31.80 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71