#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 0.00 0.00 1.61 6.02 -1.26 -0.87 117.38 122.88 2opv n GLN 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2opv n GLN 6 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2opv n GLN 6 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 2opv n PHE 7 N 0.00 0.00 -2.21 1.08 1.16 -1.26 -4.24 117.46 111.98 2opv n PHE 7 Ca 0.00 -0.14 -0.03 0.00 -1.87 0.00 0.00 57.45 55.40 2opv n PHE 7 Cb 0.00 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 37.83 2opv n PHE 7 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 2opv n HIS 8 N -0.14 -2.88 -1.78 2.97 -0.00 -0.05 -3.65 115.22 109.68 2opv n HIS 8 Ca 0.00 1.64 -0.40 0.00 -0.00 0.00 0.00 57.72 58.95 2opv n HIS 8 Cb 0.26 -3.08 0.01 0.00 -0.00 0.00 0.00 29.99 27.18 2opv n HIS 8 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2opv s ASP 9 N -0.51 6.11 -0.70 0.26 2.15 -1.26 -2.94 116.67 119.78 2opv s ASP 9 Ca -0.17 3.01 -0.02 0.00 0.43 0.00 0.00 52.55 55.80 2opv s ASP 9 Cb 0.01 -2.66 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 2opv s ASP 9 CO 0.52 -1.03 0.60 -3.20 -0.17 0.00 0.00 175.17 171.89 2opv n ASN 10 N 0.15 -3.77 0.01 -0.34 2.85 -1.26 -4.87 115.26 108.03 2opv n ASN 10 Ca 0.03 -0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.07 2opv n ASN 10 Cb 0.40 -3.46 0.00 0.00 1.24 0.00 0.00 39.78 37.96 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2opv n ALA 11 N -2.75 0.00 -3.28 5.20 0.00 -1.15 -5.08 120.51 113.45 2opv n ALA 11 Ca -0.10 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.88 2opv n ALA 11 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 2opv n ALA 11 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2opv s ASN 12 N -1.16 6.57 -0.38 0.00 2.47 -1.16 -4.17 114.94 117.10 2opv s ASN 12 Ca 0.00 -2.33 0.01 0.00 0.42 0.00 0.00 52.86 50.96 2opv s ASN 12 Cb 0.00 -2.23 0.14 0.00 -1.45 0.00 0.00 41.25 37.72 2opv s ASN 12 CO 0.00 -0.72 0.24 -0.83 -3.72 0.00 0.00 177.10 172.07 2opv s GLY 13 N 2.73 1.06 0.00 1.21 0.00 -1.26 -4.88 107.32 106.18 2opv s GLY 13 Ca 0.15 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.77 2opv s GLY 13 CO -0.05 2.00 0.00 0.61 0.00 0.00 0.00 173.10 175.67 2opv n GLY 14 N 3.74 1.56 3.66 0.20 0.00 -1.26 -4.87 105.19 108.21 2opv n GLY 14 Ca 0.15 -0.04 -0.42 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 0.00 4.24 -0.04 1.61 -0.21 -1.26 -5.00 119.66 119.01 2opv s GLN 15 Ca 0.00 1.15 -0.30 0.00 0.02 0.00 0.00 55.36 56.23 2opv s GLN 15 Cb 0.00 -3.63 -0.06 0.00 1.00 0.00 0.00 33.01 30.32 2opv s GLN 15 CO 0.00 -0.53 1.67 -0.80 -2.12 0.00 0.00 175.29 173.51 2opv s ASN 16 N 1.24 6.65 -0.23 5.90 0.01 -1.26 -4.28 114.94 122.98 2opv s ASN 16 Ca 0.40 2.28 0.09 0.00 -0.71 0.00 0.00 52.86 54.91 2opv s ASN 16 Cb -0.16 -2.54 -0.20 0.00 0.41 0.00 0.00 41.25 38.77 2opv s ASN 16 CO 0.08 -0.92 -0.10 0.61 -1.51 0.00 0.00 177.10 175.25 2opv n GLY 17 N 4.13 -0.62 3.70 0.66 0.00 -1.14 -4.48 105.19 107.45 2opv n GLY 17 Ca 0.17 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.50 4.04 -0.05 2.61 2.01 0.43 -4.84 115.64 117.34 2opv s THR 18 Ca -0.24 1.43 -0.01 0.00 0.31 0.00 0.00 61.69 63.17 2opv s THR 18 Cb 0.08 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.70 2opv s THR 18 CO 0.68 0.06 0.03 -0.69 -0.69 0.00 0.00 174.62 174.01 2opv s VAL 19 N 1.66 0.11 -0.27 3.82 1.01 -1.25 -0.15 120.40 125.33 2opv s VAL 19 Ca 0.59 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 2opv s VAL 19 Cb -0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 2opv s VAL 19 CO 0.26 0.20 0.07 -1.10 0.00 0.00 0.00 175.10 174.53 2opv s GLN 20 N 1.86 3.43 -0.34 2.72 -0.21 -1.01 -4.92 119.66 121.19 2opv s GLN 20 Ca 0.02 -0.63 -0.21 0.00 0.02 0.00 0.00 55.36 54.57 2opv s GLN 20 Cb -0.12 -3.33 -0.00 0.00 1.00 0.00 0.00 33.01 30.56 2opv s GLN 20 CO -0.04 -0.29 0.65 -1.21 -2.12 0.00 0.00 175.29 172.29 2opv s GLU 21 N 1.57 3.78 0.11 2.91 2.02 -1.24 -1.84 118.70 126.00 2opv s GLU 21 Ca 0.05 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.27 2opv s GLU 21 Cb -0.16 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 2opv s GLU 21 CO 0.03 -0.68 -0.00 0.42 0.02 0.00 0.00 175.26 175.05 2opv s ILE 22 N 2.70 3.93 -0.55 -1.63 -1.09 0.68 -4.89 121.20 120.36 2opv s ILE 22 Ca 0.25 -1.10 -0.11 0.00 -2.23 0.00 0.00 60.65 57.46 2opv s ILE 22 Cb -0.15 -2.90 0.14 0.00 -1.58 0.00 0.00 42.46 37.97 2opv s ILE 22 CO 0.14 0.06 0.45 -0.04 -1.23 0.00 0.00 174.94 174.32 2opv s MET 23 N -2.48 2.77 -0.02 2.79 -1.94 -1.25 -0.07 119.30 119.10 2opv s MET 23 Ca 0.26 -1.89 -0.28 0.00 -1.71 0.00 0.00 55.69 52.06 2opv s MET 23 Cb -0.11 -4.08 -0.03 0.00 2.01 0.00 0.00 34.83 32.62 2opv s MET 23 CO 0.18 -1.25 0.92 0.42 -0.01 0.00 0.00 175.02 175.29 2opv s ILE 24 N 1.18 4.91 -0.00 2.53 -1.09 0.41 -4.64 121.20 124.49 2opv s ILE 24 Ca 0.07 1.92 -0.38 0.00 -2.23 0.00 0.00 60.65 60.03 2opv s ILE 24 Cb -0.25 -4.26 -0.17 0.00 -1.58 0.00 0.00 42.46 36.20 2opv s ILE 24 CO -0.01 0.17 1.37 -2.65 -1.23 0.00 0.00 174.94 172.60 2opv n PRO 25 N 3.92 0.94 -0.20 2.79 -0.02 -1.26 0.34 135.00 141.51 2opv n PRO 25 Ca 0.04 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.79 2opv n PRO 25 Cb 0.51 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 4.76 -0.25 -0.00 3.55 0.00 -1.92 0.10 119.26 125.50 2opv h ALA 26 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2opv h ALA 26 Cb 1.35 0.90 0.00 0.00 0.00 0.00 0.00 17.79 20.04 2opv h ALA 26 CO 0.79 -0.79 -0.04 0.41 0.00 0.00 0.00 179.25 179.63 2opv n GLY 27 N -1.42 -1.14 0.11 0.00 0.00 -1.26 -2.98 105.19 98.51 2opv n GLY 27 Ca 0.02 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2opv n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2opv n LYS 28 N -1.15 0.31 0.28 1.61 3.00 0.31 -4.07 118.16 118.44 2opv n LYS 28 Ca 0.15 -0.23 0.14 0.00 -0.00 0.00 0.00 58.31 58.38 2opv n LYS 28 Cb 0.24 -1.50 0.79 0.00 0.00 0.00 0.00 35.03 34.57 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 3.23 1.29 -0.09 3.14 0.00 -1.33 -2.12 119.26 123.37 2opv h ALA 29 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2opv h ALA 29 Cb 0.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2opv h ALA 29 CO 0.00 0.10 0.08 0.78 0.00 0.00 0.00 179.25 180.22 2opv h GLY 30 N 0.69 0.00 1.42 0.00 0.00 -1.81 0.44 103.07 103.82 2opv h GLY 30 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2opv h GLY 30 CO 0.01 0.00 -1.40 1.41 0.00 0.00 0.00 176.54 176.56 2opv h LEU 31 N 0.00 0.34 -0.30 3.11 3.38 -1.68 0.28 115.31 120.45 2opv h LEU 31 Ca 0.04 -0.43 -0.20 0.00 0.09 0.00 0.00 57.88 57.38 2opv h LEU 31 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2opv h LEU 31 CO -0.00 1.35 -0.79 0.58 0.09 0.00 0.00 178.44 179.67 2opv h VAL 32 N 0.06 1.36 0.11 1.22 2.07 -1.42 -3.27 116.25 116.38 2opv h VAL 32 Ca -0.19 -2.18 -0.22 0.00 0.82 0.00 0.00 66.70 64.93 2opv h VAL 32 Cb 1.98 2.16 0.02 0.00 -1.52 0.00 0.00 31.29 33.93 2opv h VAL 32 CO 0.17 0.66 -0.91 0.40 0.02 0.00 0.00 177.57 177.91 2opv h ILE 33 N 0.32 1.42 0.00 4.57 1.08 -1.03 -2.63 117.51 121.24 2opv h ILE 33 Ca -0.05 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 2opv h ILE 33 Cb 1.39 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 38.05 2opv h ILE 33 CO 0.14 0.70 0.00 0.61 -0.69 0.00 0.00 178.15 178.91 2opv n GLY 34 N 1.44 1.57 0.21 5.37 0.00 0.09 -1.43 105.19 112.45 2opv n GLY 34 Ca -0.13 -2.13 0.10 0.00 0.00 0.00 0.00 46.02 43.86 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 1.79 -1.91 -3.31 116.57 114.75 2opv h LYS 35 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2opv h LYS 35 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2opv h LYS 35 CO 0.00 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 178.96 2opv n GLY 36 N 0.61 0.47 0.00 3.86 0.00 -1.26 -4.99 105.19 103.88 2opv n GLY 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.24 0.46 0.21 -0.02 0.00 -1.22 -4.95 105.19 99.91 2opv n GLY 37 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 4.75 0.00 0.05 1.61 5.08 -1.89 -3.04 114.58 121.14 2opv h GLU 38 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2opv h GLU 38 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2opv h GLU 38 CO 0.00 0.13 -0.02 1.15 -1.00 0.00 0.00 179.01 179.27 2opv h THR 39 N 0.00 1.26 0.00 1.13 2.02 -1.79 -0.88 112.91 114.65 2opv h THR 39 Ca -0.00 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 2opv h THR 39 Cb 1.00 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2opv h THR 39 CO 0.02 0.26 -0.18 -0.29 0.37 0.00 0.00 175.52 175.69 2opv h ILE 40 N -0.53 0.65 0.26 3.11 2.10 -0.85 -1.94 117.51 120.31 2opv h ILE 40 Ca -0.01 -0.81 -0.01 0.00 1.08 0.00 0.00 64.86 65.12 2opv h ILE 40 Cb 0.48 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 2opv h ILE 40 CO 0.01 0.18 -0.12 0.50 -1.08 0.00 0.00 178.15 177.64 2opv h LYS 41 N 0.00 -0.33 -0.32 2.19 1.63 -1.38 -3.14 116.57 115.21 2opv h LYS 41 Ca -0.00 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 2opv h LYS 41 Cb 0.50 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 2opv h LYS 41 CO 0.02 -0.11 -0.33 -0.56 -3.45 0.00 0.00 179.45 175.03 2opv h GLN 42 N -0.51 0.70 -0.99 1.90 3.07 -0.84 -2.87 115.11 115.56 2opv h GLN 42 Ca -0.04 -0.32 0.14 0.00 0.09 0.00 0.00 58.65 58.52 2opv h GLN 42 Cb 0.38 -0.01 -0.09 0.00 0.08 0.00 0.00 27.48 27.84 2opv h GLN 42 CO 0.06 0.93 0.62 -0.07 0.09 0.00 0.00 178.83 180.46 2opv h LEU 43 N 0.59 0.87 -0.35 0.06 3.38 -1.40 0.13 115.31 118.59 2opv h LEU 43 Ca 0.06 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2opv h LEU 43 Cb 0.84 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2opv h LEU 43 CO 0.07 0.43 -0.35 1.56 0.09 0.00 0.00 178.44 180.25 2opv h GLN 44 N 0.92 0.86 -0.22 1.13 4.20 -1.46 -3.02 115.11 117.52 2opv h GLN 44 Ca 0.51 -0.45 -0.20 0.00 0.06 0.00 0.00 58.65 58.57 2opv h GLN 44 Cb 0.60 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.40 2opv h GLN 44 CO -0.28 1.09 -0.63 0.93 -0.67 0.00 0.00 178.83 179.28 2opv h GLU 45 N 0.65 0.81 -0.12 1.46 4.39 -1.19 -2.45 114.58 118.13 2opv h GLU 45 Ca 0.06 -0.58 -0.15 0.00 0.34 0.00 0.00 59.36 59.03 2opv h GLU 45 Cb 0.94 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2opv h GLU 45 CO 0.09 1.20 -0.57 0.07 -1.16 0.00 0.00 179.01 178.64 2opv h ARG 46 N 0.56 0.38 -0.01 2.33 0.11 -0.84 -3.21 114.38 113.69 2opv h ARG 46 Ca -0.02 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2opv h ARG 46 Cb 1.25 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2opv h ARG 46 CO 0.13 0.84 -0.57 0.00 0.10 0.00 0.00 179.97 180.48 2opv n ALA 47 N -2.49 3.77 -2.31 0.08 0.00 -1.14 -4.95 120.51 113.46 2opv n ALA 47 Ca -0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.65 2opv n ALA 47 Cb 0.60 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 1.43 -0.22 3.66 0.00 0.00 -0.96 -4.84 105.19 104.25 2opv n GLY 48 Ca 0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.74 0.78 -0.12 1.61 -7.23 -0.98 -4.89 120.40 106.81 2opv s VAL 49 Ca 0.02 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2opv s VAL 49 Cb -0.01 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.79 2opv s VAL 49 CO 0.02 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.87 2opv s LYS 50 N -3.78 2.64 -0.28 4.82 2.20 -0.42 -4.54 119.74 120.39 2opv s LYS 50 Ca 0.12 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.96 2opv s LYS 50 Cb 0.01 -2.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.18 2opv s LYS 50 CO 0.08 -0.03 0.03 -1.64 -0.36 0.00 0.00 175.35 173.44 2opv s MET 51 N 0.86 2.98 -0.42 4.03 -1.94 -1.26 -0.15 119.30 123.41 2opv s MET 51 Ca -0.08 -0.91 -0.10 0.00 -1.71 0.00 0.00 55.69 52.90 2opv s MET 51 Cb -0.15 -3.24 0.08 0.00 2.01 0.00 0.00 34.83 33.52 2opv s MET 51 CO -0.01 -0.44 0.27 -1.50 -0.01 0.00 0.00 175.02 173.33 2opv s ILE 52 N 1.43 4.32 -0.62 2.53 2.07 -0.88 -4.96 121.20 125.09 2opv s ILE 52 Ca 0.01 -1.36 -0.22 0.00 -1.41 0.00 0.00 60.65 57.67 2opv s ILE 52 Cb -0.17 -3.63 0.06 0.00 0.13 0.00 0.00 42.46 38.85 2opv s ILE 52 CO 0.00 -0.50 0.92 -0.76 -1.91 0.00 0.00 174.94 172.69 2opv s LEU 53 N 1.45 4.40 -1.11 8.50 2.01 -1.26 -2.59 118.68 130.09 2opv s LEU 53 Ca 0.03 -0.84 -0.22 0.00 0.01 0.00 0.00 54.13 53.11 2opv s LEU 53 Cb -0.23 -2.52 0.05 0.00 0.01 0.00 0.00 46.19 43.50 2opv s LEU 53 CO 0.03 -1.33 1.59 -0.63 1.01 0.00 0.00 176.35 177.02 2opv s ILE 54 N 3.86 3.94 -0.02 -0.59 1.01 -0.83 -4.57 121.20 124.00 2opv s ILE 54 Ca 0.23 -1.10 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2opv s ILE 54 Cb -0.16 -5.02 -0.07 0.00 0.01 0.00 0.00 42.46 37.22 2opv s ILE 54 CO 0.12 -1.87 0.08 0.00 0.00 0.00 0.00 174.94 173.27 2opv n GLN 55 N 8.71 1.06 0.00 2.79 -0.00 -1.26 -4.03 117.38 124.65 2opv n GLN 55 Ca 0.39 -0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.36 2opv n GLN 55 Cb 0.49 -1.12 0.00 0.00 -0.00 0.00 0.00 30.24 29.61 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 -1.82 2.06 -0.88 2.61 2.03 -1.26 -4.66 116.55 114.62 2opv n ASP 56 Ca -0.03 -0.21 -0.00 0.00 0.52 0.00 0.00 54.79 55.07 2opv n ASP 56 Cb 0.28 0.84 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 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 1.46 1.90 7.00 0.27 0.00 -1.26 -4.97 105.19 109.58 2opv n GLY 57 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.35 -1.51 0.00 1.61 7.64 -1.26 -4.83 113.62 115.61 2opv n SER 58 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2opv n SER 58 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 0.00 -2.56 1.43 6.02 -1.26 -3.35 117.38 117.65 2opv n GLN 59 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2opv n GLN 59 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 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 2.58 2.81 -0.02 1.08 5.03 -1.26 -4.91 115.26 120.57 2opv n ASN 60 Ca 0.00 -2.99 -0.13 0.00 0.87 0.00 0.00 54.58 52.33 2opv n ASN 60 Cb 0.00 -0.48 -0.09 0.00 -1.02 0.00 0.00 39.78 38.19 2opv n ASN 60 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2opv h THR 61 N 3.28 1.35 -0.23 3.41 1.35 -1.82 -3.19 112.91 117.06 2opv h THR 61 Ca 0.06 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2opv h THR 61 Cb 1.17 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 2opv h THR 61 CO 0.57 0.29 0.00 -0.46 -0.25 0.00 0.00 175.52 175.66 2opv n ASN 62 N -4.83 1.44 0.00 5.36 6.94 -1.26 -4.87 115.26 118.04 2opv n ASN 62 Ca -0.08 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 2opv n ASN 62 Cb 0.25 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2opv n VAL 63 N 0.25 0.00 -1.24 3.53 0.24 -1.21 -5.04 118.33 114.86 2opv n VAL 63 Ca 0.12 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.08 2opv n VAL 63 Cb 0.25 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.73 2opv n VAL 63 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2opv s ASP 64 N 1.00 3.82 -0.27 -1.34 1.01 -1.26 -4.24 116.67 115.39 2opv s ASP 64 Ca 0.00 2.38 -0.11 0.00 0.71 0.00 0.00 52.55 55.53 2opv s ASP 64 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 2opv s ASP 64 CO 0.00 -2.52 0.19 -0.54 0.21 0.00 0.00 175.17 172.51 2opv s LYS 65 N -4.04 3.99 -0.39 8.23 -0.14 0.15 -4.73 119.74 122.82 2opv s LYS 65 Ca 0.74 -0.29 -0.28 0.00 -1.36 0.00 0.00 55.97 54.79 2opv s LYS 65 Cb -0.29 -3.62 -0.03 0.00 -1.68 0.00 0.00 37.83 32.20 2opv s LYS 65 CO 0.49 -0.11 1.94 -2.14 -0.76 0.00 0.00 175.35 174.77 2opv s PRO 66 N 1.57 3.03 -0.32 -1.68 0.02 -1.26 -0.45 135.00 135.91 2opv s PRO 66 Ca 0.08 1.36 -0.07 0.00 0.02 0.00 0.00 61.00 62.39 2opv s PRO 66 Cb -0.15 -4.30 0.03 0.00 0.02 0.00 0.00 34.50 30.09 2opv s PRO 66 CO 0.09 -2.23 0.10 -1.17 -0.33 0.00 0.00 177.00 173.47 2opv s LEU 67 N 8.13 4.15 -0.42 -5.54 2.96 0.90 -1.96 118.68 126.90 2opv s LEU 67 Ca 0.82 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 2opv s LEU 67 Cb -0.22 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 44.63 2opv s LEU 67 CO 0.30 -0.27 0.30 -0.13 -1.32 0.00 0.00 176.35 175.23 2opv s ARG 68 N 1.45 2.91 -0.57 1.98 0.52 -1.07 -0.23 118.95 123.94 2opv s ARG 68 Ca 0.00 -1.17 -0.23 0.00 -0.52 0.00 0.00 55.73 53.81 2opv s ARG 68 Cb -0.18 -3.95 0.05 0.00 0.52 0.00 0.00 34.95 31.38 2opv s ARG 68 CO 0.03 -0.84 0.92 0.42 0.02 0.00 0.00 175.30 175.86 2opv s ILE 69 N 1.62 4.41 -0.27 1.52 1.09 -0.77 -2.08 121.20 126.72 2opv s ILE 69 Ca 0.04 0.07 -0.11 0.00 -1.10 0.00 0.00 60.65 59.55 2opv s ILE 69 Cb -0.21 -4.56 -0.05 0.00 -1.06 0.00 0.00 42.46 36.59 2opv s ILE 69 CO 0.08 -1.17 0.19 -0.63 -0.10 0.00 0.00 174.94 173.30 2opv s ILE 70 N 3.88 5.32 0.00 2.92 1.01 0.79 -2.40 121.20 132.71 2opv s ILE 70 Ca 0.27 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2opv s ILE 70 Cb -0.14 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2opv s ILE 70 CO 0.16 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2opv n GLY 71 N 4.90 -0.76 3.88 6.18 0.00 0.78 -1.30 105.19 118.87 2opv n GLY 71 Ca -0.14 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 5.87 0.34 1.61 1.11 -1.26 -0.43 116.67 119.90 2opv s ASP 72 Ca 0.00 -0.06 0.12 0.00 0.18 0.00 0.00 52.55 52.79 2opv s ASP 72 Cb 0.00 -1.62 0.95 0.00 1.07 0.00 0.00 42.92 43.32 2opv s ASP 72 CO 0.00 -0.00 1.73 -0.65 1.18 0.00 0.00 175.17 177.43 2opv h PRO 73 N 1.77 0.50 0.45 8.23 0.11 -1.87 0.13 132.00 141.33 2opv h PRO 73 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2opv h PRO 73 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2opv h PRO 73 CO 0.63 0.33 -0.22 1.88 -0.21 0.00 0.00 178.00 180.41 2opv h TYR 74 N 0.52 -0.57 0.00 0.65 0.05 -1.95 -2.58 116.97 113.10 2opv h TYR 74 Ca 0.65 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.37 2opv h TYR 74 Cb 1.34 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 39.26 2opv h TYR 74 CO -0.01 -0.35 -0.22 1.57 -1.05 0.00 0.00 178.16 178.10 2opv h LYS 75 N -0.87 0.00 -0.13 4.88 2.10 -1.80 0.94 116.57 121.69 2opv h LYS 75 Ca -0.06 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.43 2opv h LYS 75 Cb 0.47 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2opv h LYS 75 CO 0.10 0.22 -0.59 0.28 -2.00 0.00 0.00 179.45 177.46 2opv h VAL 76 N 0.00 1.35 0.05 0.07 2.07 -0.82 0.13 116.25 119.10 2opv h VAL 76 Ca -0.00 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 2opv h VAL 76 Cb 0.56 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2opv h VAL 76 CO 0.03 0.58 -0.02 -0.61 0.02 0.00 0.00 177.57 177.56 2opv h GLN 77 N 0.33 -0.07 -0.94 1.57 -0.00 -0.91 -2.06 115.11 113.03 2opv h GLN 77 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 2opv h GLN 77 Cb 1.13 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 28.58 2opv h GLN 77 CO 0.10 0.54 0.63 1.96 0.00 0.00 0.00 178.83 182.06 2opv h GLN 78 N -0.77 1.24 -0.33 1.69 4.20 -0.86 -1.00 115.11 119.28 2opv h GLN 78 Ca -0.01 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 2opv h GLN 78 Cb 0.64 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2opv h GLN 78 CO 0.01 0.82 -0.27 0.00 -0.67 0.00 0.00 178.83 178.72 2opv h ALA 79 N 1.41 0.91 -0.16 3.87 0.00 -0.80 -1.57 119.26 122.93 2opv h ALA 79 Ca 0.35 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2opv h ALA 79 Cb -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2opv h ALA 79 CO -0.08 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 2opv h GLU 81 N 0.02 0.00 -0.01 0.00 4.11 -1.21 0.15 114.58 117.64 2opv h GLU 81 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 2opv h GLU 81 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2opv h GLU 81 CO 0.01 0.00 -0.23 1.98 0.07 0.00 0.00 179.01 180.85 2opv h MET 82 N 0.00 0.17 -0.07 1.06 4.05 -0.79 -2.18 114.93 117.16 2opv h MET 82 Ca 0.00 -0.17 -0.15 0.00 -0.28 0.00 0.00 59.70 59.10 2opv h MET 82 Cb 0.49 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2opv h MET 82 CO 0.00 0.90 -0.63 -0.39 0.23 0.00 0.00 176.91 177.02 2opv h VAL 83 N -0.50 1.39 0.00 -5.77 -1.51 -0.58 -2.29 116.25 107.00 2opv h VAL 83 Ca -0.03 -2.02 -0.06 0.00 -1.23 0.00 0.00 66.70 63.36 2opv h VAL 83 Cb 0.97 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 32.15 2opv h VAL 83 CO 0.05 0.60 -0.28 0.24 -1.23 0.00 0.00 177.57 176.94 2opv h MET 84 N 0.20 0.00 -0.32 5.19 2.07 -0.81 -2.64 114.93 118.63 2opv h MET 84 Ca -0.01 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.58 2opv h MET 84 Cb 1.15 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.87 2opv h MET 84 CO 0.10 0.28 0.06 0.22 1.07 0.00 0.00 176.91 178.64 2opv h ASP 85 N 0.00 0.51 0.28 1.22 3.58 -0.83 -0.75 116.42 120.42 2opv h ASP 85 Ca -0.00 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 2opv h ASP 85 Cb 0.60 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 2opv h ASP 85 CO 0.04 0.63 -0.04 0.40 -2.88 0.00 0.00 179.24 177.39 2opv h ILE 86 N 0.36 0.29 0.00 2.25 2.04 -1.13 -1.26 117.51 120.06 2opv h ILE 86 Ca 0.10 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2opv h ILE 86 Cb 0.34 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2opv h ILE 86 CO 0.01 0.04 -1.06 0.18 0.00 0.00 0.00 178.15 177.31 2opv n LEU 87 N -3.42 0.72 -0.04 1.44 4.77 -0.96 -4.20 117.00 115.31 2opv n LEU 87 Ca -0.02 -0.26 0.02 0.00 -0.03 0.00 0.00 56.01 55.73 2opv n LEU 87 Cb 0.16 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.04 2opv n LEU 87 CO 0.26 0.15 -0.90 -2.11 -1.33 0.00 0.00 177.39 173.46 2opv n ARG 88 N -1.70 0.73 0.00 3.23 1.85 -0.33 -5.08 116.66 115.35 2opv n ARG 88 Ca 0.03 -0.12 0.06 0.00 -1.00 0.00 0.00 57.85 56.82 2opv n ARG 88 Cb 0.39 -1.49 0.05 0.00 -1.05 0.00 0.00 32.46 30.36 2opv n ARG 88 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01