#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 3.33 0.00 1.61 6.02 -1.26 -4.81 117.38 122.28 2opv n GLN 6 Ca 0.00 -3.93 0.01 0.00 -0.01 0.00 0.00 57.00 53.08 2opv n GLN 6 Cb 0.00 -2.28 0.08 0.00 1.02 0.00 0.00 30.24 29.06 2opv n GLN 6 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2opv n PHE 7 N -0.75 0.00 -3.50 1.08 3.01 -1.26 -4.24 117.46 111.80 2opv n PHE 7 Ca 0.49 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.67 2opv n PHE 7 Cb 0.85 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.21 2opv n PHE 7 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2opv s HIS 8 N -2.00 1.09 0.00 1.38 3.76 -1.26 -4.13 115.29 114.13 2opv s HIS 8 Ca 0.04 -1.96 0.00 0.00 -0.15 0.00 0.00 55.06 52.99 2opv s HIS 8 Cb 0.02 -1.13 0.00 0.00 1.11 0.00 0.00 32.58 32.58 2opv s HIS 8 CO 0.03 -0.81 0.00 -3.47 -0.85 0.00 0.00 174.74 169.64 2opv n ASP 9 N 3.65 1.58 0.26 1.40 2.03 -1.26 -5.04 116.55 119.16 2opv n ASP 9 Ca 0.15 -0.42 -0.16 0.00 0.52 0.00 0.00 54.79 54.88 2opv n ASP 9 Cb 0.39 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.71 2opv n ASP 9 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2opv h ASN 10 N 0.00 -1.01 -3.05 1.67 2.35 -1.98 -3.31 115.58 110.25 2opv h ASN 10 Ca 0.00 0.08 -0.71 0.00 -0.55 0.00 0.00 56.30 55.12 2opv h ASN 10 Cb 0.00 0.33 -0.21 0.00 0.05 0.00 0.00 38.32 38.49 2opv h ASN 10 CO 0.00 -0.54 -0.01 0.00 -1.65 0.00 0.00 177.43 175.23 2opv s ALA 11 N -5.99 3.47 0.38 -0.83 0.00 -1.26 -5.03 121.76 112.50 2opv s ALA 11 Ca -0.17 -2.19 0.02 0.00 0.00 0.00 0.00 51.96 49.62 2opv s ALA 11 Cb 0.05 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2opv s ALA 11 CO 0.63 -2.15 0.07 0.27 0.00 0.00 0.00 175.76 174.57 2opv n ASN 12 N 5.96 2.04 0.00 0.00 0.23 -1.24 -3.94 115.26 118.31 2opv n ASN 12 Ca -0.10 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.12 2opv n ASN 12 Cb 0.43 0.62 0.00 0.00 -2.08 0.00 0.00 39.78 38.74 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 -0.18 1.10 0.00 4.83 0.00 -1.26 -4.51 105.19 105.17 2opv n GLY 13 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.51 3.74 -0.02 0.00 -1.26 -4.70 105.19 102.45 2opv n GLY 14 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2opv n GLY 14 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2opv s GLN 15 N -1.03 4.60 -0.29 1.61 0.00 -1.26 -3.60 119.66 119.69 2opv s GLN 15 Ca 0.00 1.24 0.20 0.00 -0.00 0.00 0.00 55.36 56.79 2opv s GLN 15 Cb 0.00 -3.35 0.48 0.00 0.00 0.00 0.00 33.01 30.14 2opv s GLN 15 CO 0.00 0.31 1.18 -1.71 0.00 0.00 0.00 175.29 175.07 2opv n ASN 16 N 2.56 0.78 0.00 12.60 4.05 -1.24 -3.59 115.26 130.41 2opv n ASN 16 Ca -0.01 -2.19 0.00 0.00 0.45 0.00 0.00 54.58 52.83 2opv n ASN 16 Cb 0.49 -0.18 0.00 0.00 1.23 0.00 0.00 39.78 41.32 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2opv n GLY 17 N -0.71 2.08 3.70 8.20 0.00 -1.25 -4.46 105.19 112.76 2opv n GLY 17 Ca 0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 2.97 -0.03 2.61 2.01 -0.74 -4.79 115.64 117.67 2opv s THR 18 Ca 0.00 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.59 2opv s THR 18 Cb 0.00 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.16 2opv s THR 18 CO 0.00 0.02 0.01 0.54 -0.69 0.00 0.00 174.62 174.50 2opv s VAL 19 N 1.81 0.12 -0.22 3.82 0.11 -1.26 -0.45 120.40 124.34 2opv s VAL 19 Ca 0.70 0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.90 2opv s VAL 19 Cb -0.40 -0.24 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2opv s VAL 19 CO 0.31 0.14 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.99 2opv s GLN 20 N 1.19 2.77 -0.51 1.54 -0.21 -1.12 -4.95 119.66 118.37 2opv s GLN 20 Ca -0.07 -1.00 -0.24 0.00 0.02 0.00 0.00 55.36 54.06 2opv s GLN 20 Cb -0.13 -2.79 0.03 0.00 1.00 0.00 0.00 33.01 31.12 2opv s GLN 20 CO -0.02 -0.36 0.90 -1.21 -2.12 0.00 0.00 175.29 172.48 2opv s GLU 21 N 1.26 3.39 0.39 2.91 8.01 -1.24 -2.74 118.70 130.68 2opv s GLU 21 Ca 0.00 -0.13 -0.08 0.00 0.01 0.00 0.00 54.97 54.77 2opv s GLU 21 Cb -0.16 -4.00 -0.05 0.00 -4.31 0.00 0.00 34.13 25.61 2opv s GLU 21 CO -0.08 -1.34 0.71 0.42 0.01 0.00 0.00 175.26 174.99 2opv s ILE 22 N 3.73 4.88 -0.69 -1.63 -1.09 0.53 -4.79 121.20 122.15 2opv s ILE 22 Ca 0.32 0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 59.00 2opv s ILE 22 Cb -0.12 -3.77 0.18 0.00 -1.58 0.00 0.00 42.46 37.18 2opv s ILE 22 CO 0.22 -0.54 0.58 -0.04 -1.23 0.00 0.00 174.94 173.92 2opv s MET 23 N -3.98 3.03 -0.11 2.79 -1.94 -1.25 -1.32 119.30 116.52 2opv s MET 23 Ca 0.48 -2.38 -0.29 0.00 -1.71 0.00 0.00 55.69 51.79 2opv s MET 23 Cb -0.10 -4.08 -0.01 0.00 2.01 0.00 0.00 34.83 32.64 2opv s MET 23 CO 0.34 -1.23 0.97 0.42 -0.01 0.00 0.00 175.02 175.51 2opv s ILE 24 N 0.27 4.81 0.13 2.53 -1.09 0.07 -4.63 121.20 123.28 2opv s ILE 24 Ca 0.15 1.97 -0.35 0.00 -2.23 0.00 0.00 60.65 60.19 2opv s ILE 24 Cb -0.17 -4.28 -0.15 0.00 -1.58 0.00 0.00 42.46 36.28 2opv s ILE 24 CO -0.05 0.02 1.46 -2.65 -1.23 0.00 0.00 174.94 172.48 2opv n PRO 25 N 4.98 1.66 -0.27 2.79 -0.02 -1.26 0.55 135.00 143.43 2opv n PRO 25 Ca 0.08 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 62.19 2opv n PRO 25 Cb 0.49 -2.30 0.24 0.00 -0.02 0.00 0.00 33.50 31.91 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 5.22 1.50 -0.35 3.55 0.00 -1.94 0.41 119.26 127.64 2opv h ALA 26 Ca -0.46 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2opv h ALA 26 Cb 1.29 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2opv h ALA 26 CO 0.83 0.40 0.08 0.41 0.00 0.00 0.00 179.25 180.97 2opv n GLY 27 N -1.41 2.51 0.00 0.00 0.00 -1.26 -3.34 105.19 101.69 2opv n GLY 27 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.16 -0.23 0.01 1.61 3.00 0.07 -4.85 118.16 117.93 2opv n LYS 28 Ca 0.18 -0.23 0.03 0.00 -0.00 0.00 0.00 58.31 58.29 2opv n LYS 28 Cb 0.83 -0.67 0.38 0.00 0.00 0.00 0.00 35.03 35.57 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 0.00 1.59 -0.02 3.14 0.00 -1.39 -1.79 119.26 120.79 2opv h ALA 29 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2opv h ALA 29 Cb 0.37 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2opv h ALA 29 CO 0.00 0.33 0.05 0.78 0.00 0.00 0.00 179.25 180.41 2opv h GLY 30 N 0.65 0.00 0.52 0.00 0.00 -1.88 -0.68 103.07 101.68 2opv h GLY 30 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.15 2opv h GLY 30 CO -0.01 0.00 -1.61 1.41 0.00 0.00 0.00 176.54 176.33 2opv h LEU 31 N 0.00 0.35 -1.32 3.11 3.38 -1.61 -1.39 115.31 117.83 2opv h LEU 31 Ca 0.01 -0.84 -0.07 0.00 0.09 0.00 0.00 57.88 57.07 2opv h LEU 31 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2opv h LEU 31 CO -0.00 1.69 -0.34 1.62 0.09 0.00 0.00 178.44 181.50 2opv h VAL 32 N -0.26 1.24 0.15 1.22 3.04 -1.38 -2.44 116.25 117.83 2opv h VAL 32 Ca -0.35 -1.16 -0.23 0.00 -1.01 0.00 0.00 66.70 63.95 2opv h VAL 32 Cb 1.81 1.63 0.02 0.00 -2.01 0.00 0.00 31.29 32.73 2opv h VAL 32 CO 0.04 0.33 -1.04 0.40 -1.01 0.00 0.00 177.57 176.29 2opv h ILE 33 N 0.00 1.38 0.00 3.17 2.04 -1.29 -3.36 117.51 119.45 2opv h ILE 33 Ca -0.00 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.33 2opv h ILE 33 Cb 0.60 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 2opv h ILE 33 CO 0.04 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.53 2opv n GLY 34 N 1.69 2.82 2.28 5.37 0.00 -0.52 -0.55 105.19 116.27 2opv n GLY 34 Ca -0.17 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.47 3.07 0.00 1.61 4.01 -1.25 -2.80 118.16 122.33 2opv n LYS 35 Ca 0.00 -1.81 0.00 0.00 -0.51 0.00 0.00 58.31 55.99 2opv n LYS 35 Cb 0.00 -2.56 0.00 0.00 -0.51 0.00 0.00 35.03 31.96 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2opv n GLY 36 N 3.35 0.12 2.80 0.72 0.00 -1.26 -4.74 105.19 106.18 2opv n GLY 36 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 0.39 0.15 -0.02 0.00 -1.12 -4.84 105.19 99.74 2opv n GLY 37 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.98 0.00 0.08 1.61 4.39 -1.83 -3.08 114.58 116.72 2opv h GLU 38 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2opv h GLU 38 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2opv h GLU 38 CO 0.00 0.21 -0.04 1.15 -1.16 0.00 0.00 179.01 179.17 2opv h THR 39 N 0.00 1.20 -0.45 1.13 2.02 -1.87 -2.05 112.91 112.88 2opv h THR 39 Ca -0.03 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.02 2opv h THR 39 Cb 1.23 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 2opv h THR 39 CO 0.03 0.28 0.30 -0.29 0.37 0.00 0.00 175.52 176.21 2opv h ILE 40 N -0.65 1.03 -0.62 3.11 2.10 -0.94 0.27 117.51 121.80 2opv h ILE 40 Ca -0.01 -0.16 -0.05 0.00 1.08 0.00 0.00 64.86 65.72 2opv h ILE 40 Cb 0.54 0.51 -0.03 0.00 -1.09 0.00 0.00 36.82 36.75 2opv h ILE 40 CO 0.02 0.09 0.18 0.50 -1.08 0.00 0.00 178.15 177.86 2opv h LYS 41 N 0.48 0.95 0.19 2.19 3.64 -1.48 -3.12 116.57 119.41 2opv h LYS 41 Ca 0.19 -0.19 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 2opv h LYS 41 Cb 0.15 -0.14 0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2opv h LYS 41 CO -0.05 0.82 -1.16 1.96 -2.27 0.00 0.00 179.45 178.76 2opv h GLN 42 N 0.91 0.45 -0.76 1.90 4.20 -0.24 -3.32 115.11 118.25 2opv h GLN 42 Ca 0.20 -0.74 0.17 0.00 0.06 0.00 0.00 58.65 58.34 2opv h GLN 42 Cb 0.28 0.27 -0.11 0.00 0.30 0.00 0.00 27.48 28.22 2opv h GLN 42 CO -0.01 1.35 0.20 -0.07 -0.67 0.00 0.00 178.83 179.63 2opv h LEU 43 N -0.06 0.04 -0.45 1.46 3.38 -0.52 0.61 115.31 119.77 2opv h LEU 43 Ca -0.20 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2opv h LEU 43 Cb 1.90 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 2opv h LEU 43 CO 0.22 -0.04 0.22 1.56 0.09 0.00 0.00 178.44 180.49 2opv h GLN 44 N 0.28 0.65 -0.35 1.13 4.20 -1.69 -3.01 115.11 116.33 2opv h GLN 44 Ca 0.43 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.94 2opv h GLN 44 Cb 0.75 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2opv h GLN 44 CO -0.52 0.56 -0.20 0.93 -0.67 0.00 0.00 178.83 178.93 2opv h GLU 45 N 0.59 0.75 -0.72 1.46 5.08 -0.92 0.93 114.58 121.75 2opv h GLU 45 Ca 0.16 -0.34 0.13 0.00 -1.00 0.00 0.00 59.36 58.30 2opv h GLU 45 Cb 0.12 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 2opv h GLU 45 CO -0.02 0.96 0.29 0.00 -1.00 0.00 0.00 179.01 179.24 2opv h ARG 46 N 0.54 0.44 -0.00 2.33 2.47 0.22 -2.28 114.38 118.09 2opv h ARG 46 Ca 0.07 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2opv h ARG 46 Cb 0.75 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2opv h ARG 46 CO 0.06 0.29 -0.87 0.00 0.56 0.00 0.00 179.97 180.01 2opv n ALA 47 N -2.49 4.40 -2.98 0.04 0.00 -1.16 -4.97 120.51 113.34 2opv n ALA 47 Ca 0.13 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 2opv n ALA 47 Cb 0.37 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 0.28 3.70 0.00 0.00 -0.27 -4.84 105.19 105.50 2opv n GLY 48 Ca 0.03 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.13 0.95 -0.16 1.61 -7.23 0.16 -4.32 120.40 108.28 2opv s VAL 49 Ca 0.26 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2opv s VAL 49 Cb -0.11 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2opv s VAL 49 CO 0.32 0.00 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.20 2opv s LYS 50 N -3.83 3.19 -0.18 4.82 2.36 -0.35 -4.54 119.74 121.21 2opv s LYS 50 Ca 0.09 -0.76 -0.00 0.00 -2.55 0.00 0.00 55.97 52.75 2opv s LYS 50 Cb 0.01 -2.63 0.01 0.00 -1.05 0.00 0.00 37.83 34.17 2opv s LYS 50 CO 0.05 -0.03 -0.16 -1.64 1.55 0.00 0.00 175.35 175.13 2opv s MET 51 N 0.92 3.13 -0.26 4.03 -1.94 -1.26 -0.31 119.30 123.61 2opv s MET 51 Ca -0.03 -0.77 -0.05 0.00 -1.71 0.00 0.00 55.69 53.13 2opv s MET 51 Cb -0.15 -2.66 0.01 0.00 2.01 0.00 0.00 34.83 34.04 2opv s MET 51 CO -0.02 -0.13 0.02 -1.50 -0.01 0.00 0.00 175.02 173.39 2opv s ILE 52 N 1.15 3.63 -0.49 2.53 -1.16 -0.82 -5.00 121.20 121.04 2opv s ILE 52 Ca 0.01 -0.67 -0.18 0.00 -0.51 0.00 0.00 60.65 59.30 2opv s ILE 52 Cb -0.14 -2.80 0.06 0.00 0.61 0.00 0.00 42.46 40.19 2opv s ILE 52 CO -0.06 0.21 0.56 -0.76 -2.81 0.00 0.00 174.94 172.07 2opv s LEU 53 N 1.47 5.11 -0.79 8.50 2.01 -1.26 -2.69 118.68 131.03 2opv s LEU 53 Ca 0.03 -0.99 -0.26 0.00 0.01 0.00 0.00 54.13 52.92 2opv s LEU 53 Cb -0.16 -2.38 0.01 0.00 0.01 0.00 0.00 46.19 43.66 2opv s LEU 53 CO -0.00 -0.82 1.58 -0.63 1.01 0.00 0.00 176.35 177.49 2opv s ILE 54 N 2.37 3.62 -0.18 -0.59 1.01 -1.22 -4.70 121.20 121.51 2opv s ILE 54 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 2opv s ILE 54 Cb -0.20 -4.54 -0.08 0.00 0.01 0.00 0.00 42.46 37.65 2opv s ILE 54 CO 0.11 -1.47 -0.23 0.00 0.00 0.00 0.00 174.94 173.34 2opv n GLN 55 N 9.14 0.40 0.07 2.79 6.02 -1.26 -4.63 117.38 129.90 2opv n GLN 55 Ca 0.20 0.17 -0.04 0.00 -0.01 0.00 0.00 57.00 57.31 2opv n GLN 55 Cb 0.50 -1.18 -0.08 0.00 1.02 0.00 0.00 30.24 30.50 2opv n GLN 55 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2opv h ASP 56 N -0.59 0.00 -3.01 1.08 3.32 -1.98 -3.46 116.42 111.78 2opv h ASP 56 Ca -0.46 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.06 2opv h ASP 56 Cb 1.43 0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.01 2opv h ASP 56 CO -0.26 0.83 0.75 -0.83 -1.72 0.00 0.00 179.24 178.01 2opv s GLY 57 N -4.70 1.95 -1.57 2.75 0.00 -1.26 -4.89 107.32 99.60 2opv s GLY 57 Ca 0.01 1.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.79 2opv s GLY 57 CO 0.80 2.37 2.75 1.44 0.00 0.00 0.00 173.10 180.46 2opv n SER 58 N 3.81 7.54 -3.77 1.64 7.64 -1.26 -4.25 113.62 124.97 2opv n SER 58 Ca 0.11 -2.67 -0.30 0.00 1.01 0.00 0.00 58.87 57.03 2opv n SER 58 Cb 0.42 -1.57 -0.15 0.00 -1.01 0.00 0.00 64.21 61.90 2opv n SER 58 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2opv s GLN 59 N 2.24 0.91 -1.74 1.43 -1.52 -1.26 -4.74 119.66 114.98 2opv s GLN 59 Ca 0.63 -1.33 -0.01 0.00 -1.95 0.00 0.00 55.36 52.70 2opv s GLN 59 Cb 0.17 -2.22 0.00 0.00 -0.22 0.00 0.00 33.01 30.74 2opv s GLN 59 CO -0.07 -1.01 0.12 0.09 -0.25 0.00 0.00 175.29 174.18 2opv n ASN 60 N 4.56 -5.95 0.26 5.90 4.13 -1.26 -4.48 115.26 118.41 2opv n ASN 60 Ca 0.01 -0.07 0.15 0.00 1.68 0.00 0.00 54.58 56.35 2opv n ASN 60 Cb 0.41 -4.92 0.55 0.00 -1.54 0.00 0.00 39.78 34.28 2opv n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2opv h THR 61 N -0.29 0.09 -0.39 3.41 1.03 -1.83 -2.47 112.91 112.46 2opv h THR 61 Ca -0.50 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.19 2opv h THR 61 Cb 1.37 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 2opv h THR 61 CO 0.58 0.04 0.00 0.59 -0.01 0.00 0.00 175.52 176.72 2opv n ASN 62 N -3.14 3.20 0.00 0.00 3.02 -1.26 -4.96 115.26 112.13 2opv n ASN 62 Ca 0.01 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 2opv n ASN 62 Cb 0.37 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 1.15 0.00 -1.84 2.41 0.24 -0.93 -5.04 118.33 114.32 2opv n VAL 63 Ca 0.16 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.05 2opv n VAL 63 Cb 0.52 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.88 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 6.40 -0.24 -1.34 1.01 -1.26 -4.24 116.67 118.00 2opv s ASP 64 Ca 0.00 3.00 -0.21 0.00 0.71 0.00 0.00 52.55 56.05 2opv s ASP 64 Cb 0.00 -2.66 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 2opv s ASP 64 CO 0.00 -0.84 0.63 -0.54 0.21 0.00 0.00 175.17 174.63 2opv s LYS 65 N -1.86 4.14 -0.44 8.23 -0.14 0.19 -4.65 119.74 125.20 2opv s LYS 65 Ca 0.54 0.57 -0.27 0.00 -1.36 0.00 0.00 55.97 55.45 2opv s LYS 65 Cb -0.46 -3.63 -0.03 0.00 -1.68 0.00 0.00 37.83 32.03 2opv s LYS 65 CO 0.60 -0.37 1.98 -2.14 -0.76 0.00 0.00 175.35 174.65 2opv s PRO 66 N 2.37 2.84 -0.29 -1.68 0.02 -1.24 -0.75 135.00 136.28 2opv s PRO 66 Ca 0.27 1.21 -0.10 0.00 0.02 0.00 0.00 61.00 62.40 2opv s PRO 66 Cb -0.16 -4.35 -0.03 0.00 0.02 0.00 0.00 34.50 29.99 2opv s PRO 66 CO 0.09 -2.45 0.15 -1.17 -0.33 0.00 0.00 177.00 173.29 2opv s LEU 67 N 8.78 3.93 -0.40 -5.54 2.96 -0.43 -3.41 118.68 124.56 2opv s LEU 67 Ca 0.81 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 54.28 2opv s LEU 67 Cb -0.19 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.49 2opv s LEU 67 CO 0.28 -0.11 0.37 -0.13 -1.32 0.00 0.00 176.35 175.44 2opv s ARG 68 N 1.67 3.12 -0.50 1.98 0.52 -1.09 -0.34 118.95 124.29 2opv s ARG 68 Ca 0.06 -0.82 -0.18 0.00 -0.52 0.00 0.00 55.73 54.28 2opv s ARG 68 Cb -0.16 -3.95 0.07 0.00 0.52 0.00 0.00 34.95 31.43 2opv s ARG 68 CO 0.07 -0.76 0.55 0.42 0.02 0.00 0.00 175.30 175.60 2opv s ILE 69 N 1.93 5.01 -0.16 1.52 1.09 -1.11 -1.94 121.20 127.54 2opv s ILE 69 Ca 0.09 -0.77 -0.08 0.00 -1.10 0.00 0.00 60.65 58.79 2opv s ILE 69 Cb -0.18 -4.26 -0.04 0.00 -1.06 0.00 0.00 42.46 36.92 2opv s ILE 69 CO 0.12 -0.76 0.12 -0.63 -0.10 0.00 0.00 174.94 173.69 2opv s ILE 70 N 2.26 5.31 -0.83 2.92 -1.09 0.58 -2.79 121.20 127.55 2opv s ILE 70 Ca 0.11 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2opv s ILE 70 Cb -0.22 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2opv s ILE 70 CO 0.09 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.94 2opv n GLY 71 N 2.79 -0.61 3.84 6.18 0.00 0.41 -1.21 105.19 116.59 2opv n GLY 71 Ca -0.18 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 6.76 0.35 1.61 2.15 -1.26 -1.79 116.67 120.49 2opv s ASP 72 Ca 0.00 0.91 0.16 0.00 0.43 0.00 0.00 52.55 54.04 2opv s ASP 72 Cb 0.00 -2.23 1.16 0.00 -0.30 0.00 0.00 42.92 41.55 2opv s ASP 72 CO 0.00 0.30 1.61 -0.65 -0.17 0.00 0.00 175.17 176.26 2opv h PRO 73 N 4.54 0.11 0.73 4.34 0.11 -1.90 0.42 132.00 140.35 2opv h PRO 73 Ca -0.51 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2opv h PRO 73 Cb 1.22 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2opv h PRO 73 CO 0.62 0.07 -0.35 -0.92 -0.21 0.00 0.00 178.00 177.21 2opv h TYR 74 N 0.11 -0.91 0.00 0.65 3.20 -1.99 -1.30 116.97 116.73 2opv h TYR 74 Ca 0.77 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.52 2opv h TYR 74 Cb 1.89 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 40.44 2opv h TYR 74 CO -0.09 -0.54 -0.47 1.57 -1.64 0.00 0.00 178.16 176.99 2opv h LYS 75 N -1.16 0.00 -0.75 1.82 2.10 -1.55 -0.06 116.57 116.98 2opv h LYS 75 Ca -0.10 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 2opv h LYS 75 Cb 0.78 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.07 2opv h LYS 75 CO 0.16 0.47 0.26 0.28 -2.00 0.00 0.00 179.45 178.62 2opv h VAL 76 N 0.00 1.26 -0.00 0.07 2.07 -0.18 0.17 116.25 119.64 2opv h VAL 76 Ca -0.00 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 2opv h VAL 76 Cb 0.96 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2opv h VAL 76 CO 0.06 0.35 -0.53 -0.61 0.02 0.00 0.00 177.57 176.86 2opv h GLN 77 N 1.11 0.36 -0.41 1.57 5.75 -0.86 -0.77 115.11 121.86 2opv h GLN 77 Ca 0.24 -0.38 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 2opv h GLN 77 Cb 0.27 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 2opv h GLN 77 CO -0.01 1.06 -0.02 1.96 -2.65 0.00 0.00 178.83 179.18 2opv h GLN 78 N -0.19 0.66 -0.14 1.69 4.20 -0.92 0.16 115.11 120.57 2opv h GLN 78 Ca -0.07 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.33 2opv h GLN 78 Cb 1.25 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2opv h GLN 78 CO 0.10 0.69 -0.56 0.00 -0.67 0.00 0.00 178.83 178.39 2opv h ALA 79 N 1.36 0.78 -0.14 3.87 0.00 -0.70 -1.53 119.26 122.90 2opv h ALA 79 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2opv h ALA 79 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2opv h ALA 79 CO 0.02 0.70 0.02 0.00 0.00 0.00 0.00 179.25 179.99 2opv h GLU 81 N 0.02 0.00 -0.05 0.00 4.11 -0.73 0.15 114.58 118.08 2opv h GLU 81 Ca 0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.39 2opv h GLU 81 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2opv h GLU 81 CO 0.00 0.11 -0.30 1.98 0.07 0.00 0.00 179.01 180.87 2opv h MET 82 N 0.00 0.30 -0.16 1.06 4.05 -0.87 -0.52 114.93 118.78 2opv h MET 82 Ca -0.00 -0.25 -0.17 0.00 -0.28 0.00 0.00 59.70 58.99 2opv h MET 82 Cb 0.57 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.43 2opv h MET 82 CO 0.01 0.90 -0.62 -0.39 0.23 0.00 0.00 176.91 177.05 2opv h VAL 83 N -0.23 1.33 -0.14 -5.77 -1.51 -0.62 -2.62 116.25 106.68 2opv h VAL 83 Ca -0.02 -1.90 -0.06 0.00 -1.23 0.00 0.00 66.70 63.49 2opv h VAL 83 Cb 0.97 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2opv h VAL 83 CO 0.06 0.59 -0.17 0.24 -1.23 0.00 0.00 177.57 177.06 2opv h MET 84 N 0.42 0.24 -0.20 5.19 2.07 -0.77 -2.59 114.93 119.28 2opv h MET 84 Ca -0.01 -0.06 0.02 0.00 -2.07 0.00 0.00 59.70 57.58 2opv h MET 84 Cb 1.18 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.86 2opv h MET 84 CO 0.12 0.41 0.06 0.22 1.07 0.00 0.00 176.91 178.79 2opv h ASP 85 N 0.22 0.06 0.03 1.22 3.58 -0.73 -1.03 116.42 119.77 2opv h ASP 85 Ca 0.04 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2opv h ASP 85 Cb 0.44 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 2opv h ASP 85 CO 0.03 0.06 -0.03 0.40 -2.88 0.00 0.00 179.24 176.82 2opv h ILE 86 N 0.15 0.99 -0.01 2.25 2.04 -1.17 -1.63 117.51 120.13 2opv h ILE 86 Ca 0.09 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2opv h ILE 86 Cb 0.06 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2opv h ILE 86 CO -0.10 0.03 -0.10 0.18 0.00 0.00 0.00 178.15 178.16 2opv n LEU 87 N -4.46 1.60 -0.18 1.44 4.77 -0.71 -3.86 117.00 115.60 2opv n LEU 87 Ca -0.03 -0.52 0.03 0.00 -0.03 0.00 0.00 56.01 55.47 2opv n LEU 87 Cb 0.12 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2opv n LEU 87 CO 0.34 0.28 0.40 -2.11 -1.33 0.00 0.00 177.39 174.97 2opv n ARG 88 N 0.09 0.96 0.00 3.23 1.85 -0.47 -5.06 116.66 117.25 2opv n ARG 88 Ca 0.16 -1.53 0.00 0.00 -1.00 0.00 0.00 57.85 55.48 2opv n ARG 88 Cb 0.39 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.88 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71