#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 -1.42 -1.18 1.61 3.00 -1.26 -2.65 117.38 115.47 2opv n GLN 6 Ca 0.00 1.05 -0.26 0.00 -0.01 0.00 0.00 57.00 57.78 2opv n GLN 6 Cb 0.00 -4.47 -0.10 0.00 0.00 0.00 0.00 30.24 25.67 2opv n GLN 6 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2opv n PHE 7 N -2.57 1.28 -1.38 1.08 -1.74 -1.26 -3.29 117.46 109.58 2opv n PHE 7 Ca -0.11 -2.32 0.00 0.00 -0.56 0.00 0.00 57.45 54.45 2opv n PHE 7 Cb 0.58 -2.04 0.00 0.00 1.52 0.00 0.00 39.48 39.54 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 2.98 -2.23 -0.21 2.97 -0.00 0.20 -4.27 115.22 114.66 2opv n HIS 8 Ca 0.61 1.34 0.01 0.00 -0.00 0.00 0.00 57.72 59.68 2opv n HIS 8 Cb 0.56 -2.80 0.12 0.00 -0.00 0.00 0.00 29.99 27.87 2opv n HIS 8 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2opv h ASP 9 N 1.94 -0.05 -3.60 0.26 3.58 -1.85 -3.38 116.42 113.33 2opv h ASP 9 Ca 0.00 0.12 -0.65 0.00 0.42 0.00 0.00 57.03 56.93 2opv h ASP 9 Cb 0.00 0.18 -0.22 0.00 1.72 0.00 0.00 39.33 41.01 2opv h ASP 9 CO 0.00 -0.02 -0.62 0.21 -2.88 0.00 0.00 179.24 175.93 2opv s ASN 10 N -5.28 5.19 0.53 2.28 2.47 -1.26 -4.91 114.94 113.96 2opv s ASN 10 Ca -0.13 -0.17 0.00 0.00 0.42 0.00 0.00 52.86 52.98 2opv s ASN 10 Cb 0.18 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 38.06 2opv s ASN 10 CO 0.74 -0.00 0.00 0.00 -3.72 0.00 0.00 177.10 174.12 2opv n ALA 11 N 4.72 0.00 0.00 1.71 0.00 -1.26 -4.47 120.51 121.21 2opv n ALA 11 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2opv n ALA 11 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2opv n ALA 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2opv n ASN 12 N 5.71 0.00 -2.18 0.00 0.23 -1.26 -4.85 115.26 112.91 2opv n ASN 12 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.74 2opv n ASN 12 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 2opv n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2opv n GLY 13 N 0.00 0.07 1.92 4.83 0.00 -1.26 -4.11 105.19 106.64 2opv n GLY 13 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 2.01 0.82 3.59 -0.02 0.00 -1.26 -4.84 105.19 105.50 2opv n GLY 14 Ca 0.15 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 3.12 0.00 1.61 0.74 -1.26 -4.80 119.66 119.07 2opv s GLN 15 Ca 0.00 1.50 0.00 0.00 0.05 0.00 0.00 55.36 56.91 2opv s GLN 15 Cb 0.00 -4.29 0.00 0.00 1.10 0.00 0.00 33.01 29.82 2opv s GLN 15 CO 0.00 -2.11 0.01 0.09 -0.55 0.00 0.00 175.29 172.73 2opv n ASN 16 N 11.29 0.00 0.00 6.67 5.03 -1.26 -4.53 115.26 132.46 2opv n ASN 16 Ca 0.25 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.74 2opv n ASN 16 Cb 0.47 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2opv n GLY 17 N 2.43 -0.97 3.73 7.41 0.00 -0.94 -0.63 105.19 116.21 2opv n GLY 17 Ca 0.00 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 2opv n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2opv n THR 18 N 0.00 0.32 -3.73 2.61 -1.04 0.39 -4.65 114.28 108.17 2opv n THR 18 Ca 0.00 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 61.77 2opv n THR 18 Cb 0.00 -1.98 -0.16 0.00 -1.82 0.00 0.00 70.33 66.36 2opv n THR 18 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2opv s VAL 19 N 0.81 -0.09 -0.15 12.58 0.11 -1.25 0.54 120.40 132.94 2opv s VAL 19 Ca 0.72 0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 60.03 2opv s VAL 19 Cb -0.50 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2opv s VAL 19 CO 0.37 0.12 -0.08 -1.10 -3.33 0.00 0.00 175.10 171.08 2opv s GLN 20 N 1.48 3.52 -0.34 1.54 -0.21 -1.00 -4.93 119.66 119.72 2opv s GLN 20 Ca -0.04 -0.60 -0.16 0.00 0.02 0.00 0.00 55.36 54.58 2opv s GLN 20 Cb -0.12 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 2opv s GLN 20 CO -0.04 0.18 0.38 -1.21 -2.12 0.00 0.00 175.29 172.48 2opv s GLU 21 N 0.49 3.58 0.07 2.91 2.02 -1.25 -1.86 118.70 124.66 2opv s GLU 21 Ca -0.06 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2opv s GLU 21 Cb -0.15 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2opv s GLU 21 CO 0.03 -0.53 0.20 0.42 0.02 0.00 0.00 175.26 175.40 2opv s ILE 22 N 2.06 5.27 -0.72 -1.63 -1.09 0.54 -4.86 121.20 120.77 2opv s ILE 22 Ca 0.13 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.97 2opv s ILE 22 Cb -0.16 -3.57 0.19 0.00 -1.58 0.00 0.00 42.46 37.33 2opv s ILE 22 CO 0.12 0.12 0.63 -0.04 -1.23 0.00 0.00 174.94 174.54 2opv s MET 23 N -2.53 3.21 -0.05 2.79 -1.94 -1.25 -0.71 119.30 118.80 2opv s MET 23 Ca 0.34 -2.35 -0.28 0.00 -1.71 0.00 0.00 55.69 51.69 2opv s MET 23 Cb -0.13 -4.21 -0.02 0.00 2.01 0.00 0.00 34.83 32.47 2opv s MET 23 CO 0.27 -1.26 0.93 0.42 -0.01 0.00 0.00 175.02 175.37 2opv s ILE 24 N 0.36 4.88 0.11 2.53 -1.09 0.31 -4.65 121.20 123.64 2opv s ILE 24 Ca 0.15 1.91 -0.35 0.00 -2.23 0.00 0.00 60.65 60.13 2opv s ILE 24 Cb -0.16 -4.26 -0.17 0.00 -1.58 0.00 0.00 42.46 36.30 2opv s ILE 24 CO -0.06 0.12 1.25 -2.65 -1.23 0.00 0.00 174.94 172.38 2opv n PRO 25 N 4.30 1.08 0.28 2.79 -0.02 -1.26 0.60 135.00 142.76 2opv n PRO 25 Ca 0.05 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 2opv n PRO 25 Cb 0.50 -1.96 0.83 0.00 -0.02 0.00 0.00 33.50 32.85 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 4.01 1.70 -0.00 3.55 0.00 -1.93 -0.16 119.26 126.42 2opv h ALA 26 Ca -0.46 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 2opv h ALA 26 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2opv h ALA 26 CO 0.74 -0.03 -0.79 0.78 0.00 0.00 0.00 179.25 179.95 2opv h GLY 27 N 0.00 0.08 -3.28 0.00 0.00 -1.94 -3.21 103.07 94.72 2opv h GLY 27 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2opv h GLY 27 CO -0.00 0.12 0.00 0.28 0.00 0.00 0.00 176.54 176.94 2opv n LYS 28 N -3.65 4.43 0.02 4.80 5.02 -0.12 -4.36 118.16 124.31 2opv n LYS 28 Ca -0.02 -2.86 -0.00 0.00 -2.02 0.00 0.00 58.31 53.41 2opv n LYS 28 Cb 0.75 -2.15 0.30 0.00 -0.02 0.00 0.00 35.03 33.90 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 3.88 1.35 0.00 7.82 0.00 -1.44 -2.10 119.26 128.76 2opv h ALA 29 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2opv h ALA 29 Cb 1.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2opv h ALA 29 CO 0.42 0.45 -0.23 0.78 0.00 0.00 0.00 179.25 180.66 2opv h GLY 30 N 0.85 0.00 0.96 0.00 0.00 -1.85 -2.33 103.07 100.70 2opv h GLY 30 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 2opv h GLY 30 CO 0.02 0.00 -0.63 1.41 0.00 0.00 0.00 176.54 177.34 2opv h LEU 31 N 0.00 0.70 -0.95 3.11 3.38 -1.70 0.15 115.31 120.01 2opv h LEU 31 Ca -0.00 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 2opv h LEU 31 Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2opv h LEU 31 CO 0.03 1.26 -0.22 -0.37 0.09 0.00 0.00 178.44 179.23 2opv h VAL 32 N 0.20 0.50 0.02 1.22 -1.51 -1.39 -2.31 116.25 112.98 2opv h VAL 32 Ca -0.05 -1.17 -0.23 0.00 -1.23 0.00 0.00 66.70 64.02 2opv h VAL 32 Cb 1.28 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 2opv h VAL 32 CO 0.13 0.21 -0.98 0.40 -1.23 0.00 0.00 177.57 176.10 2opv h ILE 33 N 0.00 1.43 -0.01 7.19 2.04 -1.38 -3.40 117.51 123.38 2opv h ILE 33 Ca -0.00 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.28 2opv h ILE 33 Cb 0.81 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2opv h ILE 33 CO 0.03 0.76 0.00 0.61 0.00 0.00 0.00 178.15 179.55 2opv n GLY 34 N 1.03 1.69 5.00 5.37 0.00 -0.33 -2.05 105.19 115.90 2opv n GLY 34 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.77 0.00 -0.02 1.61 4.76 0.39 -3.59 118.16 120.54 2opv n LYS 35 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2opv n LYS 35 Cb 0.03 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.08 2opv n LYS 35 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2opv h GLY 36 N 0.00 0.01 0.00 0.72 0.00 -1.87 -3.48 103.07 98.45 2opv h GLY 36 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2opv h GLY 36 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2opv n GLY 37 N 1.56 0.75 0.09 4.60 0.00 -1.24 -4.96 105.19 106.00 2opv n GLY 37 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 2.39 0.00 -0.49 1.61 -0.00 -1.81 -3.37 114.58 112.91 2opv h GLU 38 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.26 2opv h GLU 38 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 2opv h GLU 38 CO 0.00 0.54 -0.08 1.15 -0.00 0.00 0.00 179.01 180.62 2opv h THR 39 N 0.00 1.27 -0.43 -1.06 2.02 -1.78 -1.84 112.91 111.09 2opv h THR 39 Ca -0.12 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 65.90 2opv h THR 39 Cb 1.68 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 2opv h THR 39 CO 0.08 0.42 0.29 -0.29 0.37 0.00 0.00 175.52 176.38 2opv h ILE 40 N 0.77 0.99 -0.26 3.11 2.10 -1.57 0.26 117.51 122.91 2opv h ILE 40 Ca 0.13 -0.14 -0.11 0.00 1.08 0.00 0.00 64.86 65.82 2opv h ILE 40 Cb 0.63 0.56 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 2opv h ILE 40 CO 0.04 0.07 -0.27 0.50 -1.08 0.00 0.00 178.15 177.41 2opv h LYS 41 N 0.40 0.65 -0.68 2.19 3.64 -1.63 -3.21 116.57 117.92 2opv h LYS 41 Ca 0.18 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2opv h LYS 41 Cb 0.23 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2opv h LYS 41 CO -0.04 0.95 0.23 1.96 -2.27 0.00 0.00 179.45 180.28 2opv h GLN 42 N 0.38 1.03 -0.73 1.90 4.20 -0.14 -2.29 115.11 119.45 2opv h GLN 42 Ca 0.04 -0.20 0.08 0.00 0.06 0.00 0.00 58.65 58.64 2opv h GLN 42 Cb 0.84 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.39 2opv h GLN 42 CO 0.07 0.87 0.39 -0.07 -0.67 0.00 0.00 178.83 179.42 2opv h LEU 43 N 1.00 0.55 -0.36 1.46 3.38 -0.61 0.31 115.31 121.04 2opv h LEU 43 Ca 0.22 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2opv h LEU 43 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2opv h LEU 43 CO -0.01 0.33 0.08 1.56 0.09 0.00 0.00 178.44 180.48 2opv h GLN 44 N 0.68 0.59 -0.31 1.13 4.20 -1.44 -0.94 115.11 119.02 2opv h GLN 44 Ca 0.35 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2opv h GLN 44 Cb 0.32 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2opv h GLN 44 CO -0.24 0.64 0.10 0.93 -0.67 0.00 0.00 178.83 179.60 2opv h GLU 45 N 0.44 0.47 0.00 1.46 5.08 -0.77 -0.98 114.58 120.27 2opv h GLU 45 Ca 0.11 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2opv h GLU 45 Cb 0.33 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2opv h GLU 45 CO 0.00 0.51 -0.77 0.07 -1.00 0.00 0.00 179.01 177.82 2opv h ARG 46 N 0.34 0.00 0.00 2.33 0.11 -0.38 -3.25 114.38 113.53 2opv h ARG 46 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2opv h ARG 46 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2opv h ARG 46 CO -0.00 0.77 -1.10 0.00 0.10 0.00 0.00 179.97 179.74 2opv n ALA 47 N -2.34 2.82 -1.65 0.08 0.00 -0.36 -4.95 120.51 114.10 2opv n ALA 47 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 2opv n ALA 47 Cb 0.79 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 1.26 0.44 3.46 0.00 0.00 -0.40 -4.90 105.19 105.05 2opv n GLY 48 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.22 1.19 -0.19 1.61 -7.23 -1.04 -4.86 120.40 107.66 2opv s VAL 49 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2opv s VAL 49 Cb 0.00 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 2opv s VAL 49 CO 0.00 0.00 -0.04 -0.75 -0.31 0.00 0.00 175.10 174.00 2opv s LYS 50 N -3.88 3.49 -0.14 4.82 2.36 0.87 -4.35 119.74 122.91 2opv s LYS 50 Ca 0.36 -0.59 -0.01 0.00 -2.55 0.00 0.00 55.97 53.17 2opv s LYS 50 Cb 0.08 -2.96 -0.02 0.00 -1.05 0.00 0.00 37.83 33.89 2opv s LYS 50 CO 0.15 -0.01 -0.10 -1.64 1.55 0.00 0.00 175.35 175.31 2opv s MET 51 N 1.00 3.47 -0.29 4.03 -1.94 -1.26 0.37 119.30 124.69 2opv s MET 51 Ca 0.00 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 2opv s MET 51 Cb -0.15 -2.74 0.08 0.00 2.01 0.00 0.00 34.83 34.03 2opv s MET 51 CO 0.01 0.20 -0.02 -1.50 -0.01 0.00 0.00 175.02 173.69 2opv s ILE 52 N 0.42 1.95 -0.64 2.53 2.07 -0.81 -5.00 121.20 121.73 2opv s ILE 52 Ca -0.08 -1.77 -0.27 0.00 -1.41 0.00 0.00 60.65 57.12 2opv s ILE 52 Cb -0.15 -2.26 0.03 0.00 0.13 0.00 0.00 42.46 40.21 2opv s ILE 52 CO 0.04 -0.30 1.17 -0.76 -1.91 0.00 0.00 174.94 173.19 2opv s LEU 53 N 1.14 3.50 -1.05 8.50 2.01 -1.26 -2.55 118.68 128.96 2opv s LEU 53 Ca 0.00 -0.24 -0.23 0.00 0.01 0.00 0.00 54.13 53.68 2opv s LEU 53 Cb -0.19 -2.85 0.01 0.00 0.01 0.00 0.00 46.19 43.17 2opv s LEU 53 CO -0.08 -1.58 1.71 -0.63 1.01 0.00 0.00 176.35 176.79 2opv s ILE 54 N 5.04 3.76 0.00 -0.59 1.01 -0.56 -4.13 121.20 125.74 2opv s ILE 54 Ca 0.37 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2opv s ILE 54 Cb -0.09 -4.70 0.00 0.00 0.01 0.00 0.00 42.46 37.68 2opv s ILE 54 CO 0.20 -1.53 0.00 0.00 0.00 0.00 0.00 174.94 173.61 2opv n GLN 55 N 8.72 0.18 0.13 2.79 10.64 -1.26 -4.12 117.38 134.46 2opv n GLN 55 Ca 0.39 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.55 2opv n GLN 55 Cb 0.48 -0.57 0.22 0.00 -0.86 0.00 0.00 30.24 29.52 2opv n GLN 55 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2opv h ASP 56 N 0.00 0.10 -3.36 2.61 5.19 -2.00 -3.42 116.42 115.54 2opv h ASP 56 Ca 0.00 -0.05 -0.56 0.00 -0.62 0.00 0.00 57.03 55.81 2opv h ASP 56 Cb 0.14 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 2opv h ASP 56 CO 0.00 0.59 0.27 -0.83 -3.12 0.00 0.00 179.24 176.15 2opv s GLY 57 N -4.35 2.58 -1.44 2.75 0.00 -1.26 -4.96 107.32 100.63 2opv s GLY 57 Ca -0.03 0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.81 2opv s GLY 57 CO 0.76 1.49 2.19 -1.14 0.00 0.00 0.00 173.10 176.41 2opv n SER 58 N 4.22 3.99 -0.01 1.64 3.41 -1.26 -4.21 113.62 121.40 2opv n SER 58 Ca 0.03 -2.86 -0.05 0.00 -0.26 0.00 0.00 58.87 55.73 2opv n SER 58 Cb 0.50 -1.65 -0.02 0.00 -0.26 0.00 0.00 64.21 62.79 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2opv n GLN 59 N 5.97 0.18 -2.02 4.33 6.02 -1.26 -4.80 117.38 125.80 2opv n GLN 59 Ca 0.51 0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 57.29 2opv n GLN 59 Cb 0.39 -0.81 0.03 0.00 1.02 0.00 0.00 30.24 30.86 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 -3.71 5.65 -0.06 1.08 4.13 -1.26 -4.76 115.26 116.33 2opv n ASN 60 Ca -0.08 -3.76 -0.02 0.00 1.68 0.00 0.00 54.58 52.40 2opv n ASN 60 Cb 0.29 -0.57 0.24 0.00 -1.54 0.00 0.00 39.78 38.20 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 2.07 1.21 -0.00 3.41 1.35 -1.86 -2.93 112.91 116.16 2opv h THR 61 Ca 0.41 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2opv h THR 61 Cb 1.06 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2opv h THR 61 CO 1.01 0.30 -0.77 0.59 -0.25 0.00 0.00 175.52 176.40 2opv n ASN 62 N -4.26 0.87 -0.61 5.36 5.03 -1.26 -4.99 115.26 115.39 2opv n ASN 62 Ca 0.02 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.72 2opv n ASN 62 Cb 0.25 0.68 0.00 0.00 -1.02 0.00 0.00 39.78 39.69 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2opv n VAL 63 N -1.40 0.00 -1.61 2.41 0.24 -1.11 -5.01 118.33 111.85 2opv n VAL 63 Ca 0.05 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.97 2opv n VAL 63 Cb 0.34 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.60 0.66 -4.67 -1.34 9.92 -1.26 -4.44 116.55 114.82 2opv n ASP 64 Ca 0.00 0.80 -0.37 0.00 -0.53 0.00 0.00 54.79 54.69 2opv n ASP 64 Cb 0.00 -1.38 -0.08 0.00 -0.64 0.00 0.00 41.12 39.02 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 -2.72 4.14 -0.45 -1.24 -0.14 0.20 -4.74 119.74 114.77 2opv s LYS 65 Ca 0.75 0.01 -0.28 0.00 -1.36 0.00 0.00 55.97 55.09 2opv s LYS 65 Cb -0.42 -3.53 -0.01 0.00 -1.68 0.00 0.00 37.83 32.19 2opv s LYS 65 CO 0.47 0.02 1.72 -2.14 -0.76 0.00 0.00 175.35 174.66 2opv s PRO 66 N 1.16 3.15 -0.36 -1.68 0.02 -1.25 -0.53 135.00 135.50 2opv s PRO 66 Ca 0.14 1.00 -0.10 0.00 0.02 0.00 0.00 61.00 62.06 2opv s PRO 66 Cb -0.14 -4.22 0.03 0.00 0.02 0.00 0.00 34.50 30.18 2opv s PRO 66 CO 0.06 -2.09 0.18 -1.17 -0.33 0.00 0.00 177.00 173.65 2opv s LEU 67 N 7.26 4.55 -0.41 -5.54 2.96 0.11 -1.49 118.68 126.13 2opv s LEU 67 Ca 0.70 -0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 53.52 2opv s LEU 67 Cb -0.17 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.56 2opv s LEU 67 CO 0.29 -0.35 0.28 -0.13 -1.32 0.00 0.00 176.35 175.12 2opv s ARG 68 N 1.53 2.91 -0.56 1.98 0.52 -1.06 -0.34 118.95 123.94 2opv s ARG 68 Ca 0.02 -1.10 -0.22 0.00 -0.52 0.00 0.00 55.73 53.92 2opv s ARG 68 Cb -0.19 -3.91 0.06 0.00 0.52 0.00 0.00 34.95 31.43 2opv s ARG 68 CO 0.06 -0.78 0.81 0.42 0.02 0.00 0.00 175.30 175.83 2opv s ILE 69 N 1.63 4.59 -0.24 1.52 1.09 -0.78 -1.93 121.20 127.08 2opv s ILE 69 Ca 0.04 -0.23 -0.08 0.00 -1.10 0.00 0.00 60.65 59.28 2opv s ILE 69 Cb -0.20 -4.47 -0.04 0.00 -1.06 0.00 0.00 42.46 36.69 2opv s ILE 69 CO 0.08 -1.06 0.09 -0.63 -0.10 0.00 0.00 174.94 173.32 2opv s ILE 70 N 3.37 4.59 0.00 2.92 1.01 0.16 -2.38 121.20 130.87 2opv s ILE 70 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2opv s ILE 70 Cb -0.17 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2opv s ILE 70 CO 0.14 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2opv n GLY 71 N 4.71 -0.36 3.48 6.18 0.00 0.19 -0.09 105.19 119.29 2opv n GLY 71 Ca -0.16 0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 3.96 0.36 1.61 2.15 -1.26 -0.46 116.67 119.03 2opv s ASP 72 Ca 0.00 -0.30 0.18 0.00 0.43 0.00 0.00 52.55 52.86 2opv s ASP 72 Cb 0.00 -0.75 1.19 0.00 -0.30 0.00 0.00 42.92 43.06 2opv s ASP 72 CO 0.00 0.30 1.64 -0.65 -0.17 0.00 0.00 175.17 176.29 2opv h PRO 73 N 4.91 0.21 0.67 4.34 0.11 -1.91 0.58 132.00 140.91 2opv h PRO 73 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2opv h PRO 73 Cb 1.15 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.22 2opv h PRO 73 CO 0.49 0.14 -0.32 -0.92 -0.21 0.00 0.00 178.00 177.18 2opv h TYR 74 N 0.22 -0.83 0.00 0.65 3.20 -2.00 -2.14 116.97 116.07 2opv h TYR 74 Ca 0.77 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 62.45 2opv h TYR 74 Cb 1.92 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 40.44 2opv h TYR 74 CO -0.01 -0.48 -0.81 1.57 -1.64 0.00 0.00 178.16 176.79 2opv h LYS 75 N -1.06 0.03 -0.95 1.82 2.10 -1.48 -2.42 116.57 114.61 2opv h LYS 75 Ca -0.09 -0.03 0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2opv h LYS 75 Cb 0.72 0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 32.00 2opv h LYS 75 CO 0.15 0.82 0.61 0.28 -2.00 0.00 0.00 179.45 179.31 2opv h VAL 76 N 0.02 1.07 -0.06 0.07 2.07 0.08 0.47 116.25 119.98 2opv h VAL 76 Ca -0.01 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2opv h VAL 76 Cb 1.43 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2opv h VAL 76 CO 0.11 0.20 -0.33 1.56 0.02 0.00 0.00 177.57 179.13 2opv h GLN 77 N 1.11 0.33 -0.62 1.57 1.08 -1.27 -1.12 115.11 116.19 2opv h GLN 77 Ca 0.41 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2opv h GLN 77 Cb 0.17 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2opv h GLN 77 CO -0.17 0.93 0.20 1.96 -0.95 0.00 0.00 178.83 180.79 2opv h GLN 78 N -0.18 0.93 -0.41 1.46 4.20 -1.09 0.34 115.11 120.37 2opv h GLN 78 Ca -0.03 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 2opv h GLN 78 Cb 1.00 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2opv h GLN 78 CO 0.07 0.80 -0.20 0.00 -0.67 0.00 0.00 178.83 178.82 2opv h ALA 79 N 1.31 0.88 -0.15 3.87 0.00 -0.10 0.18 119.26 125.25 2opv h ALA 79 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2opv h ALA 79 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2opv h ALA 79 CO -0.01 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.92 2opv h GLU 81 N 0.07 1.08 -0.06 0.00 5.08 -0.23 0.22 114.58 120.75 2opv h GLU 81 Ca 0.05 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2opv h GLU 81 Cb 0.22 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2opv h GLU 81 CO -0.00 0.78 0.03 1.98 -1.00 0.00 0.00 179.01 180.80 2opv h MET 82 N 1.10 0.08 0.03 2.33 4.05 -0.36 0.29 114.93 122.44 2opv h MET 82 Ca 0.28 -0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.48 2opv h MET 82 Cb -0.01 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2opv h MET 82 CO -0.05 0.11 -0.97 -0.39 0.23 0.00 0.00 176.91 175.84 2opv h VAL 83 N 0.03 1.52 -0.21 -5.77 -1.51 -0.86 -2.54 116.25 106.91 2opv h VAL 83 Ca 0.02 -2.80 -0.09 0.00 -1.23 0.00 0.00 66.70 62.60 2opv h VAL 83 Cb 0.05 2.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2opv h VAL 83 CO -0.00 0.81 -0.26 -0.03 -1.23 0.00 0.00 177.57 176.86 2opv h MET 84 N 0.10 0.39 -0.07 5.19 -1.53 -0.49 -2.38 114.93 116.14 2opv h MET 84 Ca -0.06 -0.14 -0.08 0.00 -3.44 0.00 0.00 59.70 55.98 2opv h MET 84 Cb 1.64 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 32.65 2opv h MET 84 CO 0.15 0.62 -0.34 0.22 0.14 0.00 0.00 176.91 177.71 2opv h ASP 85 N 0.35 0.13 0.02 1.39 3.58 -0.21 -1.83 116.42 119.84 2opv h ASP 85 Ca 0.05 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2opv h ASP 85 Cb 0.65 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 2opv h ASP 85 CO 0.05 0.46 -0.04 0.40 -2.88 0.00 0.00 179.24 177.23 2opv h ILE 86 N 0.11 1.06 -0.01 2.25 2.04 -1.00 0.23 117.51 122.19 2opv h ILE 86 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2opv h ILE 86 Cb 0.65 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2opv h ILE 86 CO 0.05 0.08 -0.24 0.18 0.00 0.00 0.00 178.15 178.22 2opv n LEU 87 N -4.46 0.74 -0.17 1.44 4.32 -0.73 -3.78 117.00 114.37 2opv n LEU 87 Ca -0.02 -0.11 0.03 0.00 -0.02 0.00 0.00 56.01 55.89 2opv n LEU 87 Cb 0.14 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 2opv n LEU 87 CO 0.35 0.14 0.22 -1.14 -1.22 0.00 0.00 177.39 175.74 2opv n ARG 88 N -0.90 1.87 0.00 3.23 0.00 0.17 -5.11 116.66 115.92 2opv n ARG 88 Ca 0.12 -0.56 0.11 0.00 -0.00 0.00 0.00 57.85 57.52 2opv n ARG 88 Cb 0.32 -1.00 0.09 0.00 0.00 0.00 0.00 32.46 31.88 2opv n ARG 88 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78