#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 2.97 0.24 1.61 -2.07 -1.26 -5.07 119.66 116.07 2opv s GLN 6 Ca 0.00 -2.96 -0.04 0.00 -1.82 0.00 0.00 55.36 50.54 2opv s GLN 6 Cb 0.00 -3.86 0.05 0.00 -1.09 0.00 0.00 33.01 28.12 2opv s GLN 6 CO 0.00 -1.23 0.32 1.19 -1.32 0.00 0.00 175.29 174.25 2opv n PHE 7 N 2.83 -4.00 -2.08 9.60 3.72 -1.26 -4.30 117.46 121.96 2opv n PHE 7 Ca 0.16 -0.29 -0.06 0.00 -0.05 0.00 0.00 57.45 57.21 2opv n PHE 7 Cb 0.38 -0.25 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.45 -0.26 -0.09 1.38 -0.00 -1.26 -3.63 115.22 108.91 2opv n HIS 8 Ca 0.04 -0.65 -0.14 0.00 0.46 0.00 0.00 57.72 57.43 2opv n HIS 8 Cb 0.14 0.63 -0.04 0.00 -0.12 0.00 0.00 29.99 30.60 2opv n HIS 8 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 2opv h ASP 9 N 0.13 0.88 -1.48 0.26 2.03 -1.92 -3.32 116.42 112.99 2opv h ASP 9 Ca -0.55 -0.50 -0.47 0.00 -0.73 0.00 0.00 57.03 54.78 2opv h ASP 9 Cb 1.39 -0.25 -0.41 0.00 -0.83 0.00 0.00 39.33 39.24 2opv h ASP 9 CO -0.28 1.20 -1.01 -3.20 -1.03 0.00 0.00 179.24 174.93 2opv n ASN 10 N -4.14 2.57 -3.34 4.15 5.15 -1.26 -4.67 115.26 113.72 2opv n ASN 10 Ca -0.04 -3.16 -0.12 0.00 -0.60 0.00 0.00 54.58 50.66 2opv n ASN 10 Cb 0.54 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2opv n ALA 11 N -0.13 -2.65 -2.54 5.20 0.00 -1.25 -4.85 120.51 114.30 2opv n ALA 11 Ca 0.23 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 2opv n ALA 11 Cb 0.69 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.85 6.15 0.00 0.00 3.84 -1.24 -4.15 114.94 116.69 2opv s ASN 12 Ca 0.05 -0.44 0.00 0.00 0.21 0.00 0.00 52.86 52.68 2opv s ASN 12 Cb -0.01 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 2opv s ASN 12 CO 0.81 -1.85 0.00 0.61 -2.79 0.00 0.00 177.10 173.89 2opv n GLY 13 N 5.40 1.40 0.00 1.21 0.00 -1.26 -3.67 105.19 108.27 2opv n GLY 13 Ca 0.04 -0.00 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 1.20 3.76 -0.02 0.00 -1.26 -5.13 105.19 103.74 2opv n GLY 14 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.34 -0.42 1.61 1.11 -1.24 -5.00 119.66 120.06 2opv s GLN 15 Ca 0.00 2.21 -0.15 0.00 0.01 0.00 0.00 55.36 57.43 2opv s GLN 15 Cb 0.00 -3.09 0.03 0.00 -1.01 0.00 0.00 33.01 28.94 2opv s GLN 15 CO 0.00 -0.23 0.32 -0.80 0.01 0.00 0.00 175.29 174.59 2opv s ASN 16 N -0.24 6.12 -0.01 5.90 0.01 -1.26 -4.64 114.94 120.82 2opv s ASN 16 Ca 0.52 -0.98 -0.00 0.00 -0.71 0.00 0.00 52.86 51.69 2opv s ASN 16 Cb -0.40 -2.17 -0.00 0.00 0.41 0.00 0.00 41.25 39.10 2opv s ASN 16 CO 0.49 -0.49 -0.00 1.23 -1.51 0.00 0.00 177.10 176.83 2opv h GLY 17 N 8.66 0.00 -5.88 0.66 0.00 -1.75 -3.47 103.07 101.29 2opv h GLY 17 Ca -0.27 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.42 2opv h GLY 17 CO 0.76 0.00 -0.64 -1.59 0.00 0.00 0.00 176.54 175.07 2opv s THR 18 N -1.07 4.14 -0.07 4.70 2.01 -0.58 -4.97 115.64 119.80 2opv s THR 18 Ca -0.00 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2opv s THR 18 Cb 0.00 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.71 2opv s THR 18 CO 0.00 0.49 -0.01 0.54 -0.69 0.00 0.00 174.62 174.95 2opv s VAL 19 N 0.29 0.46 -0.09 3.82 0.11 -1.26 -0.13 120.40 123.61 2opv s VAL 19 Ca -0.02 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2opv s VAL 19 Cb -0.14 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2opv s VAL 19 CO 0.02 0.27 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.42 2opv s GLN 20 N 1.83 2.99 -0.18 1.54 0.74 -0.48 -4.91 119.66 121.19 2opv s GLN 20 Ca 0.03 -0.54 -0.05 0.00 0.05 0.00 0.00 55.36 54.85 2opv s GLN 20 Cb -0.12 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.29 2opv s GLN 20 CO -0.05 0.55 -0.01 -1.21 -0.55 0.00 0.00 175.29 174.02 2opv s GLU 21 N -0.50 3.67 0.18 1.67 2.02 -1.24 -0.94 118.70 123.54 2opv s GLU 21 Ca 0.08 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.65 2opv s GLU 21 Cb -0.12 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 2opv s GLU 21 CO 0.02 0.12 -0.13 0.42 0.02 0.00 0.00 175.26 175.72 2opv s ILE 22 N 0.70 3.02 -0.43 -1.63 -1.09 0.79 -4.90 121.20 117.66 2opv s ILE 22 Ca -0.01 -1.70 -0.11 0.00 -2.23 0.00 0.00 60.65 56.61 2opv s ILE 22 Cb -0.14 -2.48 0.08 0.00 -1.58 0.00 0.00 42.46 38.33 2opv s ILE 22 CO 0.02 -0.09 0.29 -0.04 -1.23 0.00 0.00 174.94 173.89 2opv s MET 23 N -2.73 2.70 -0.06 2.79 -1.94 -1.25 -0.96 119.30 117.85 2opv s MET 23 Ca 0.24 -1.42 -0.21 0.00 -1.71 0.00 0.00 55.69 52.58 2opv s MET 23 Cb -0.09 -3.87 -0.04 0.00 2.01 0.00 0.00 34.83 32.84 2opv s MET 23 CO 0.14 -0.96 0.61 0.42 -0.01 0.00 0.00 175.02 175.21 2opv s ILE 24 N 1.48 5.05 0.18 2.53 -1.09 0.00 -4.70 121.20 124.65 2opv s ILE 24 Ca 0.03 1.25 -0.31 0.00 -2.23 0.00 0.00 60.65 59.39 2opv s ILE 24 Cb -0.23 -3.95 -0.16 0.00 -1.58 0.00 0.00 42.46 36.54 2opv s ILE 24 CO 0.03 0.32 0.88 -2.65 -1.23 0.00 0.00 174.94 172.29 2opv n PRO 25 N 3.45 0.60 0.22 2.79 -0.02 -1.26 0.11 135.00 140.88 2opv n PRO 25 Ca -0.04 0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2opv n PRO 25 Cb 0.51 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 32.99 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 2.15 1.36 0.00 3.55 0.00 -1.93 -1.71 119.26 122.68 2opv h ALA 26 Ca -0.38 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 2opv h ALA 26 Cb 1.39 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2opv h ALA 26 CO 0.62 0.32 -2.04 0.41 0.00 0.00 0.00 179.25 178.57 2opv n GLY 27 N -0.55 -0.83 1.18 0.00 0.00 -1.26 -4.37 105.19 99.37 2opv n GLY 27 Ca -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.45 2.80 0.17 1.61 4.81 -1.15 -4.15 118.16 119.80 2opv n LYS 28 Ca -0.19 -2.09 0.04 0.00 -0.87 0.00 0.00 58.31 55.20 2opv n LYS 28 Cb 0.85 -1.64 0.45 0.00 0.02 0.00 0.00 35.03 34.72 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2opv h ALA 29 N 3.84 1.63 -0.21 3.14 0.00 -1.51 -2.50 119.26 123.64 2opv h ALA 29 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2opv h ALA 29 Cb 1.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2opv h ALA 29 CO 0.12 0.28 0.19 0.78 0.00 0.00 0.00 179.25 180.62 2opv h GLY 30 N 0.61 0.00 1.50 0.00 0.00 -1.88 -0.16 103.07 103.14 2opv h GLY 30 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 2opv h GLY 30 CO 0.02 0.00 -1.19 1.41 0.00 0.00 0.00 176.54 176.78 2opv h LEU 31 N 0.00 0.59 -0.79 3.11 3.38 -1.78 0.26 115.31 120.08 2opv h LEU 31 Ca 0.10 -0.57 -0.13 0.00 0.09 0.00 0.00 57.88 57.38 2opv h LEU 31 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2opv h LEU 31 CO -0.00 1.41 -0.60 1.62 0.09 0.00 0.00 178.44 180.96 2opv h VAL 32 N 0.16 1.42 0.01 1.22 3.04 -1.30 -2.75 116.25 118.05 2opv h VAL 32 Ca -0.14 -2.07 -0.24 0.00 -1.01 0.00 0.00 66.70 63.23 2opv h VAL 32 Cb 1.88 2.12 0.01 0.00 -2.01 0.00 0.00 31.29 33.29 2opv h VAL 32 CO 0.21 0.59 -0.99 0.40 -1.01 0.00 0.00 177.57 176.76 2opv h ILE 33 N 0.00 1.35 -0.14 3.17 2.04 -1.09 -3.35 117.51 119.49 2opv h ILE 33 Ca -0.01 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.47 2opv h ILE 33 Cb 1.07 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2opv h ILE 33 CO 0.08 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.56 2opv n GLY 34 N 1.02 0.73 3.86 5.37 0.00 0.30 -1.33 105.19 115.12 2opv n GLY 34 Ca -0.08 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.07 -4.49 0.00 1.61 5.02 0.64 -2.84 118.16 118.03 2opv n LYS 35 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 2opv n LYS 35 Cb 0.05 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2opv n GLY 36 N -1.70 1.15 0.00 0.72 0.00 -1.26 -4.76 105.19 99.34 2opv n GLY 36 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.63 0.08 -0.02 0.00 -1.13 -5.03 105.19 99.73 2opv n GLY 37 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.12 -0.28 1.61 5.08 -1.63 -2.67 114.58 116.81 2opv h GLU 38 Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2opv h GLU 38 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2opv h GLU 38 CO 0.00 0.59 0.07 1.15 -1.00 0.00 0.00 179.01 179.81 2opv h THR 39 N -0.35 1.22 -0.56 1.13 2.02 -1.62 -1.63 112.91 113.12 2opv h THR 39 Ca 0.01 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2opv h THR 39 Cb 0.57 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2opv h THR 39 CO 0.01 0.24 0.35 -0.29 0.37 0.00 0.00 175.52 176.20 2opv h ILE 40 N 0.29 1.15 -0.25 3.11 2.10 -1.29 0.45 117.51 123.07 2opv h ILE 40 Ca 0.09 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.72 2opv h ILE 40 Cb 0.29 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 2opv h ILE 40 CO 0.00 0.15 0.14 0.50 -1.08 0.00 0.00 178.15 177.86 2opv h LYS 41 N 0.76 0.34 -0.09 2.19 3.64 -1.17 -3.07 116.57 119.18 2opv h LYS 41 Ca 0.20 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 2opv h LYS 41 Cb -0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2opv h LYS 41 CO -0.04 0.31 -0.64 1.96 -2.27 0.00 0.00 179.45 178.77 2opv h GLN 42 N 0.29 0.33 -0.42 1.90 1.08 -0.24 -3.01 115.11 115.03 2opv h GLN 42 Ca 0.09 -0.24 0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2opv h GLN 42 Cb 0.06 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 2opv h GLN 42 CO -0.01 0.86 0.07 -0.07 -0.95 0.00 0.00 178.83 178.72 2opv h LEU 43 N 0.24 -0.03 -0.30 1.46 3.38 -0.08 0.48 115.31 120.45 2opv h LEU 43 Ca -0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2opv h LEU 43 Cb 1.17 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2opv h LEU 43 CO 0.10 0.02 0.12 1.56 0.09 0.00 0.00 178.44 180.34 2opv h GLN 44 N 0.19 0.46 -0.20 1.13 4.20 -1.51 -2.39 115.11 116.99 2opv h GLN 44 Ca 0.20 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 2opv h GLN 44 Cb 0.26 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2opv h GLN 44 CO -0.28 0.47 -0.54 0.93 -0.67 0.00 0.00 178.83 178.74 2opv h GLU 45 N 0.34 0.60 -0.01 1.46 5.08 -1.27 0.69 114.58 121.47 2opv h GLU 45 Ca 0.10 -0.37 -0.19 0.00 -1.00 0.00 0.00 59.36 57.89 2opv h GLU 45 Cb 0.19 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2opv h GLU 45 CO -0.01 0.98 -0.85 0.07 -1.00 0.00 0.00 179.01 178.21 2opv h ARG 46 N 0.46 0.22 0.00 2.33 0.11 -0.03 -3.27 114.38 114.21 2opv h ARG 46 Ca 0.01 -0.23 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 2opv h ARG 46 Cb 1.09 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2opv h ARG 46 CO 0.10 0.94 -1.71 0.00 0.10 0.00 0.00 179.97 179.41 2opv n ALA 47 N -2.47 2.58 -1.93 0.08 0.00 -0.90 -4.98 120.51 112.88 2opv n ALA 47 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2opv n ALA 47 Cb 0.78 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 1.28 0.51 3.52 0.00 0.00 0.15 -4.86 105.19 105.80 2opv n GLY 48 Ca -0.05 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.09 1.82 -0.24 1.61 -7.23 -0.69 -4.08 120.40 109.50 2opv s VAL 49 Ca 0.00 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.00 2opv s VAL 49 Cb 0.00 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2opv s VAL 49 CO 0.00 -0.12 0.11 -0.75 -0.31 0.00 0.00 175.10 174.02 2opv s LYS 50 N -3.72 3.86 -0.21 4.82 2.20 -0.58 -4.45 119.74 121.65 2opv s LYS 50 Ca 0.33 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 2opv s LYS 50 Cb 0.06 -3.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2opv s LYS 50 CO 0.16 -0.04 -0.16 -1.64 -0.36 0.00 0.00 175.35 173.32 2opv s MET 51 N 1.25 2.61 -0.33 4.03 -1.94 -1.26 -0.02 119.30 123.65 2opv s MET 51 Ca 0.06 -1.04 -0.08 0.00 -1.71 0.00 0.00 55.69 52.92 2opv s MET 51 Cb -0.14 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.03 2opv s MET 51 CO 0.05 -0.37 0.12 -1.50 -0.01 0.00 0.00 175.02 173.30 2opv s ILE 52 N 1.22 4.07 -0.36 2.53 2.07 -0.61 -4.98 121.20 125.13 2opv s ILE 52 Ca -0.01 -0.86 -0.17 0.00 -1.41 0.00 0.00 60.65 58.20 2opv s ILE 52 Cb -0.16 -3.20 -0.00 0.00 0.13 0.00 0.00 42.46 39.23 2opv s ILE 52 CO -0.09 -0.07 0.47 -0.76 -1.91 0.00 0.00 174.94 172.58 2opv s LEU 53 N 1.49 4.43 -1.03 8.50 2.01 -1.26 -2.17 118.68 130.65 2opv s LEU 53 Ca 0.01 -0.16 -0.23 0.00 0.01 0.00 0.00 54.13 53.76 2opv s LEU 53 Cb -0.18 -2.51 0.00 0.00 0.01 0.00 0.00 46.19 43.51 2opv s LEU 53 CO 0.04 -0.47 1.71 -0.63 1.01 0.00 0.00 176.35 178.01 2opv s ILE 54 N 2.29 3.74 -0.26 -0.59 -1.09 -0.87 -4.65 121.20 119.77 2opv s ILE 54 Ca 0.16 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 2opv s ILE 54 Cb -0.16 -4.66 -0.17 0.00 -1.58 0.00 0.00 42.46 35.90 2opv s ILE 54 CO 0.13 -1.51 -0.23 0.00 -1.23 0.00 0.00 174.94 172.10 2opv n GLN 55 N 8.76 0.65 -0.03 2.79 6.02 -1.26 -4.48 117.38 129.82 2opv n GLN 55 Ca 0.39 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.58 2opv n GLN 55 Cb 0.48 -1.52 0.06 0.00 1.02 0.00 0.00 30.24 30.29 2opv n GLN 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2opv n ASP 56 N -3.32 2.04 -4.80 1.08 2.03 -1.26 -4.85 116.55 107.46 2opv n ASP 56 Ca -0.46 -1.54 -0.22 0.00 0.52 0.00 0.00 54.79 53.09 2opv n ASP 56 Cb 0.98 -0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 41.29 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 -0.87 1.99 0.05 0.27 0.00 -1.26 -5.04 107.32 102.47 2opv s GLY 57 Ca 0.14 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2opv s GLY 57 CO 0.13 -1.71 0.00 1.44 0.00 0.00 0.00 173.10 172.96 2opv n SER 58 N -1.32 -5.57 -0.13 1.64 7.64 -1.26 -4.45 113.62 110.17 2opv n SER 58 Ca -0.01 0.26 0.07 0.00 1.01 0.00 0.00 58.87 60.20 2opv n SER 58 Cb 0.61 -0.72 0.12 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.11 1.84 -0.10 1.43 1.13 -1.26 -4.46 117.38 113.84 2opv n GLN 59 Ca 0.00 -2.34 0.02 0.00 -1.94 0.00 0.00 57.00 52.74 2opv n GLN 59 Cb 0.11 -1.40 0.07 0.00 0.11 0.00 0.00 30.24 29.12 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 -1.11 1.11 0.24 1.08 4.13 -1.26 -3.78 115.26 115.67 2opv n ASN 60 Ca 0.13 -2.05 0.16 0.00 1.68 0.00 0.00 54.58 54.50 2opv n ASN 60 Cb 0.56 -0.23 0.79 0.00 -1.54 0.00 0.00 39.78 39.37 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 0.81 0.00 -0.02 3.41 1.35 -1.79 -0.53 112.91 116.15 2opv h THR 61 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2opv h THR 61 Cb 0.37 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2opv h THR 61 CO 0.03 0.00 -0.43 -0.46 -0.25 0.00 0.00 175.52 174.41 2opv n ASN 62 N -2.71 2.09 0.00 5.36 6.94 -1.25 -5.00 115.26 120.69 2opv n ASN 62 Ca -0.01 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 2opv n ASN 62 Cb 0.15 0.44 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 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 0.09 0.00 -1.66 3.53 0.24 -0.21 -4.95 118.33 115.37 2opv n VAL 63 Ca 0.09 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.02 2opv n VAL 63 Cb 0.47 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.90 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 1.31 -4.65 -1.34 9.92 -1.26 -4.13 116.55 116.40 2opv n ASP 64 Ca 0.00 0.82 -0.36 0.00 -0.53 0.00 0.00 54.79 54.72 2opv n ASP 64 Cb 0.00 -1.46 -0.09 0.00 -0.64 0.00 0.00 41.12 38.93 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 -2.99 4.04 -0.25 -1.24 -0.14 0.12 -4.75 119.74 114.53 2opv s LYS 65 Ca 0.78 -0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 54.81 2opv s LYS 65 Cb -0.40 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.31 2opv s LYS 65 CO 0.45 0.15 1.90 -2.14 -0.76 0.00 0.00 175.35 174.95 2opv s PRO 66 N 0.75 3.43 -0.20 -1.68 0.02 -1.26 -0.82 135.00 135.25 2opv s PRO 66 Ca 0.06 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 62.79 2opv s PRO 66 Cb -0.13 -4.21 -0.01 0.00 0.02 0.00 0.00 34.50 30.17 2opv s PRO 66 CO 0.02 -1.75 -0.06 -1.17 -0.33 0.00 0.00 177.00 173.70 2opv s LEU 67 N 6.79 2.86 -0.28 -5.54 2.96 -0.13 -2.05 118.68 123.29 2opv s LEU 67 Ca 0.85 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 2opv s LEU 67 Cb -0.28 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.74 2opv s LEU 67 CO 0.34 0.02 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.26 2opv s ARG 68 N 1.20 2.66 -0.51 1.98 0.52 -0.92 -0.15 118.95 123.73 2opv s ARG 68 Ca 0.02 -1.11 -0.19 0.00 -0.52 0.00 0.00 55.73 53.93 2opv s ARG 68 Cb -0.14 -3.15 0.06 0.00 0.52 0.00 0.00 34.95 32.24 2opv s ARG 68 CO -0.02 -0.52 0.63 0.42 0.02 0.00 0.00 175.30 175.83 2opv s ILE 69 N 1.32 4.87 -0.13 1.52 1.09 -0.12 -1.58 121.20 128.16 2opv s ILE 69 Ca -0.02 -0.52 -0.02 0.00 -1.10 0.00 0.00 60.65 58.99 2opv s ILE 69 Cb -0.18 -4.31 -0.03 0.00 -1.06 0.00 0.00 42.46 36.88 2opv s ILE 69 CO -0.02 -0.83 -0.05 -0.63 -0.10 0.00 0.00 174.94 173.31 2opv s ILE 70 N 2.65 3.79 0.00 2.92 1.01 0.98 -1.38 121.20 131.16 2opv s ILE 70 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2opv s ILE 70 Cb -0.19 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2opv s ILE 70 CO 0.12 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.19 2opv n GLY 71 N 3.22 -0.11 3.76 6.18 0.00 0.82 -1.53 105.19 117.53 2opv n GLY 71 Ca -0.18 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 6.71 0.46 1.61 2.15 -1.26 -1.53 116.67 120.81 2opv s ASP 72 Ca 0.00 0.84 0.26 0.00 0.43 0.00 0.00 52.55 54.08 2opv s ASP 72 Cb 0.00 -2.27 1.29 0.00 -0.30 0.00 0.00 42.92 41.64 2opv s ASP 72 CO 0.00 0.12 1.81 -0.65 -0.17 0.00 0.00 175.17 176.28 2opv h PRO 73 N 6.01 0.21 0.26 4.34 0.11 -1.93 0.48 132.00 141.48 2opv h PRO 73 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 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 0.71 0.14 -0.13 -0.92 -0.21 0.00 0.00 178.00 177.59 2opv h TYR 74 N 0.22 -0.33 0.00 0.65 3.20 -2.00 -3.01 116.97 115.70 2opv h TYR 74 Ca 0.54 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.33 2opv h TYR 74 Cb 1.71 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 2opv h TYR 74 CO -0.00 -0.02 -0.36 1.57 -1.64 0.00 0.00 178.16 177.71 2opv h LYS 75 N -0.99 0.00 -0.83 1.82 2.10 -1.73 -0.61 116.57 116.34 2opv h LYS 75 Ca -0.04 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.70 2opv h LYS 75 Cb 0.46 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.72 2opv h LYS 75 CO 0.06 0.36 0.49 0.28 -2.00 0.00 0.00 179.45 178.64 2opv h VAL 76 N 0.00 0.96 -0.01 0.07 2.07 -0.16 0.22 116.25 119.40 2opv h VAL 76 Ca -0.00 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 2opv h VAL 76 Cb 0.91 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2opv h VAL 76 CO 0.05 0.15 -0.59 1.56 0.02 0.00 0.00 177.57 178.76 2opv h GLN 77 N 0.85 0.41 -0.35 1.57 1.08 -1.26 -1.71 115.11 115.69 2opv h GLN 77 Ca 0.38 -0.43 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 2opv h GLN 77 Cb 0.29 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.77 2opv h GLN 77 CO -0.22 1.10 -0.09 1.96 -0.95 0.00 0.00 178.83 180.63 2opv h GLN 78 N -0.10 -0.00 -0.42 1.46 4.20 -0.88 -0.71 115.11 118.66 2opv h GLN 78 Ca -0.07 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 2opv h GLN 78 Cb 1.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 2opv h GLN 78 CO 0.12 -0.00 -0.19 0.00 -0.67 0.00 0.00 178.83 178.09 2opv h ALA 79 N 1.34 0.88 0.65 3.87 0.00 -0.63 -1.91 119.26 123.47 2opv h ALA 79 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2opv h ALA 79 Cb 0.26 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2opv h ALA 79 CO -0.37 0.63 -0.31 0.00 0.00 0.00 0.00 179.25 179.20 2opv h GLU 81 N -1.00 0.00 0.03 0.00 4.11 -1.20 0.22 114.58 116.75 2opv h GLU 81 Ca -0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2opv h GLU 81 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2opv h GLU 81 CO 0.15 0.00 -0.01 1.98 0.07 0.00 0.00 179.01 181.19 2opv h MET 82 N 0.00 -0.04 0.02 1.06 4.05 -1.01 -2.78 114.93 116.23 2opv h MET 82 Ca 0.00 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.21 2opv h MET 82 Cb 0.36 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2opv h MET 82 CO 0.00 0.61 -0.94 -0.39 0.23 0.00 0.00 176.91 176.42 2opv h VAL 83 N -0.74 1.47 0.00 -5.77 -1.51 -0.20 -2.77 116.25 106.73 2opv h VAL 83 Ca -0.00 -2.63 -0.05 0.00 -1.23 0.00 0.00 66.70 62.78 2opv h VAL 83 Cb 0.67 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 32.33 2opv h VAL 83 CO 0.01 0.77 -0.24 0.24 -1.23 0.00 0.00 177.57 177.12 2opv h MET 84 N 0.14 0.00 -0.33 5.19 2.86 -0.73 -2.31 114.93 119.76 2opv h MET 84 Ca -0.06 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 2opv h MET 84 Cb 1.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 2opv h MET 84 CO 0.15 0.24 -0.24 0.22 1.06 0.00 0.00 176.91 178.33 2opv h ASP 85 N 0.00 0.65 -0.39 1.22 3.58 -1.21 -0.73 116.42 119.54 2opv h ASP 85 Ca -0.00 -0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.18 2opv h ASP 85 Cb 0.60 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2opv h ASP 85 CO 0.03 0.88 0.14 0.40 -2.88 0.00 0.00 179.24 177.81 2opv h ILE 86 N 0.56 1.19 -0.00 2.25 2.04 -1.23 0.17 117.51 122.49 2opv h ILE 86 Ca 0.08 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2opv h ILE 86 Cb 0.72 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2opv h ILE 86 CO 0.06 0.24 -0.34 0.18 0.00 0.00 0.00 178.15 178.28 2opv n LEU 87 N -4.33 0.53 -0.00 1.44 4.77 -1.07 -3.43 117.00 114.92 2opv n LEU 87 Ca 0.03 0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 2opv n LEU 87 Cb 0.18 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 2opv n LEU 87 CO 0.38 0.12 -0.08 -1.14 -1.33 0.00 0.00 177.39 175.34 2opv n ARG 88 N -1.28 0.61 0.00 3.23 3.00 -0.30 -5.09 116.66 116.83 2opv n ARG 88 Ca 0.08 -0.01 0.14 0.00 -0.00 0.00 0.00 57.85 58.06 2opv n ARG 88 Cb 0.33 -1.42 0.50 0.00 0.00 0.00 0.00 32.46 31.88 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72