#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 -3.24 -2.06 1.61 -0.06 -1.26 -4.71 117.38 107.66 2opv n GLN 6 Ca 0.00 2.64 -0.41 0.00 -2.00 0.00 0.00 57.00 57.23 2opv n GLN 6 Cb 0.00 -5.41 -0.03 0.00 -4.06 0.00 0.00 30.24 20.74 2opv n GLN 6 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 2opv s PHE 7 N -1.85 1.81 0.18 3.69 0.08 -1.26 -4.57 117.98 116.06 2opv s PHE 7 Ca 0.06 0.71 0.00 0.00 0.12 0.00 0.00 56.93 57.82 2opv s PHE 7 Cb -0.02 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.30 2opv s PHE 7 CO 0.78 -2.51 0.00 1.58 -0.10 0.00 0.00 175.22 174.96 2opv n HIS 8 N 11.34 -1.37 0.25 0.36 -0.00 -1.26 -4.21 115.22 120.32 2opv n HIS 8 Ca 0.21 0.74 0.10 0.00 0.46 0.00 0.00 57.72 59.22 2opv n HIS 8 Cb 0.50 -1.62 0.64 0.00 -0.12 0.00 0.00 29.99 29.39 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 0.26 0.00 -0.85 0.26 2.03 -1.98 -3.39 116.42 112.74 2opv h ASP 9 Ca 0.00 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.37 2opv h ASP 9 Cb 0.17 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.46 2opv h ASP 9 CO 0.00 0.16 -0.29 0.21 -1.03 0.00 0.00 179.24 178.28 2opv s ASN 10 N -6.46 -1.37 0.11 4.15 2.47 -1.26 -5.13 114.94 107.45 2opv s ASN 10 Ca -0.03 0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.49 2opv s ASN 10 Cb 0.14 1.90 0.00 0.00 -1.45 0.00 0.00 41.25 41.84 2opv s ASN 10 CO 0.63 -0.25 0.00 0.00 -3.72 0.00 0.00 177.10 173.76 2opv n ALA 11 N 5.37 -2.61 -2.43 1.71 0.00 -1.26 -5.06 120.51 116.23 2opv n ALA 11 Ca 0.05 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2opv n ALA 11 Cb 0.54 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 2opv n ALA 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2opv s ASN 12 N -0.64 3.59 -0.16 0.00 2.20 -1.26 -4.86 114.94 113.80 2opv s ASN 12 Ca 0.00 -0.57 -0.25 0.00 -0.94 0.00 0.00 52.86 51.10 2opv s ASN 12 Cb 0.00 -0.44 0.06 0.00 -2.00 0.00 0.00 41.25 38.87 2opv s ASN 12 CO 0.00 0.22 0.63 -0.83 -2.94 0.00 0.00 177.10 174.18 2opv s GLY 13 N -1.73 -0.49 0.00 0.45 0.00 -1.26 -4.98 107.32 99.31 2opv s GLY 13 Ca 0.15 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.42 2opv s GLY 13 CO 0.06 1.27 0.00 0.61 0.00 0.00 0.00 173.10 175.04 2opv n GLY 14 N 2.04 2.01 3.51 0.20 0.00 -1.26 -4.74 105.19 106.95 2opv n GLY 14 Ca -0.16 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 3.76 0.00 1.61 -1.52 -1.26 -5.00 119.66 117.25 2opv s GLN 15 Ca 0.00 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 2opv s GLN 15 Cb 0.00 -3.20 0.00 0.00 -0.22 0.00 0.00 33.01 29.59 2opv s GLN 15 CO 0.00 0.05 0.00 0.09 -0.25 0.00 0.00 175.29 175.18 2opv n ASN 16 N 4.19 0.00 -4.40 5.90 5.03 -1.26 -4.78 115.26 119.94 2opv n ASN 16 Ca -0.17 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 54.84 2opv n ASN 16 Cb 0.52 -0.13 -0.00 0.00 -1.02 0.00 0.00 39.78 39.15 2opv n ASN 16 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2opv s GLY 17 N -2.85 2.87 0.06 7.41 0.00 -1.26 -4.36 107.32 109.19 2opv s GLY 17 Ca 0.00 -3.64 -0.27 0.00 0.00 0.00 0.00 44.72 40.82 2opv s GLY 17 CO 0.00 1.65 0.83 -1.59 0.00 0.00 0.00 173.10 173.99 2opv s THR 18 N -0.02 4.68 -0.15 0.90 2.01 0.33 -4.79 115.64 118.61 2opv s THR 18 Ca 0.36 1.77 0.00 0.00 0.31 0.00 0.00 61.69 64.13 2opv s THR 18 Cb -0.07 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2opv s THR 18 CO -0.04 0.34 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 2opv s VAL 19 N 0.03 1.55 -0.35 3.82 1.01 -1.26 -1.16 120.40 124.04 2opv s VAL 19 Ca 0.41 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 2opv s VAL 19 Cb -0.21 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2opv s VAL 19 CO 0.25 0.46 0.23 -1.10 0.00 0.00 0.00 175.10 174.94 2opv s GLN 20 N 1.48 3.32 -0.47 2.72 -1.52 -0.69 -4.91 119.66 119.58 2opv s GLN 20 Ca 0.05 -0.76 -0.19 0.00 -1.95 0.00 0.00 55.36 52.50 2opv s GLN 20 Cb -0.13 -3.79 0.04 0.00 -0.22 0.00 0.00 33.01 28.92 2opv s GLN 20 CO -0.10 -0.51 0.61 -1.21 -0.25 0.00 0.00 175.29 173.82 2opv s GLU 21 N 1.68 3.17 0.04 2.91 2.02 -1.24 -1.54 118.70 125.75 2opv s GLU 21 Ca 0.05 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2opv s GLU 21 Cb -0.18 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 2opv s GLU 21 CO 0.09 -1.11 0.14 0.42 0.02 0.00 0.00 175.26 174.83 2opv s ILE 22 N 2.64 5.02 -0.52 -1.63 -1.09 0.72 -4.88 121.20 121.47 2opv s ILE 22 Ca 0.17 -0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 57.96 2opv s ILE 22 Cb -0.17 -3.40 0.11 0.00 -1.58 0.00 0.00 42.46 37.41 2opv s ILE 22 CO 0.14 0.20 0.47 -0.04 -1.23 0.00 0.00 174.94 174.48 2opv s MET 23 N -2.26 2.99 -0.15 2.79 -1.94 -1.25 -1.15 119.30 118.33 2opv s MET 23 Ca 0.30 -1.56 -0.21 0.00 -1.71 0.00 0.00 55.69 52.50 2opv s MET 23 Cb -0.13 -4.24 -0.03 0.00 2.01 0.00 0.00 34.83 32.45 2opv s MET 23 CO 0.22 -1.22 0.64 0.42 -0.01 0.00 0.00 175.02 175.07 2opv s ILE 24 N 1.64 5.04 0.11 2.53 -1.09 -0.25 -4.67 121.20 124.52 2opv s ILE 24 Ca 0.04 1.24 -0.35 0.00 -2.23 0.00 0.00 60.65 59.35 2opv s ILE 24 Cb -0.28 -3.96 -0.17 0.00 -1.58 0.00 0.00 42.46 36.47 2opv s ILE 24 CO 0.04 0.17 1.10 -2.65 -1.23 0.00 0.00 174.94 172.38 2opv n PRO 25 N 4.54 0.71 -0.25 2.79 -0.02 -1.26 0.77 135.00 142.27 2opv n PRO 25 Ca -0.02 0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 2opv n PRO 25 Cb 0.50 -1.73 0.15 0.00 -0.02 0.00 0.00 33.50 32.41 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 3.25 1.24 0.08 3.55 0.00 -1.93 0.15 119.26 125.60 2opv h ALA 26 Ca -0.45 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.00 2opv h ALA 26 Cb 1.38 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2opv h ALA 26 CO 0.69 0.60 -1.83 0.78 0.00 0.00 0.00 179.25 179.49 2opv h GLY 27 N 1.13 0.20 0.99 0.00 0.00 -1.90 -3.33 103.07 100.16 2opv h GLY 27 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2opv h GLY 27 CO -0.04 0.44 -0.00 1.17 0.00 0.00 0.00 176.54 178.11 2opv n LYS 28 N -3.33 0.97 0.32 4.80 4.81 -1.10 -3.36 118.16 121.28 2opv n LYS 28 Ca -0.24 -0.04 0.21 0.00 -0.87 0.00 0.00 58.31 57.37 2opv n LYS 28 Cb 1.05 -1.50 1.07 0.00 0.02 0.00 0.00 35.03 35.67 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 3.95 1.01 -0.47 3.14 0.00 -0.81 -1.79 119.26 124.29 2opv h ALA 29 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2opv h ALA 29 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2opv h ALA 29 CO 0.00 0.00 0.32 0.78 0.00 0.00 0.00 179.25 180.35 2opv h GLY 30 N 0.56 0.47 1.52 0.00 0.00 -1.83 -1.53 103.07 102.27 2opv h GLY 30 Ca -0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 2opv h GLY 30 CO 0.00 0.11 -1.10 1.41 0.00 0.00 0.00 176.54 176.97 2opv h LEU 31 N 0.37 0.56 -0.93 3.11 3.38 -1.62 0.28 115.31 120.46 2opv h LEU 31 Ca 0.21 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 2opv h LEU 31 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2opv h LEU 31 CO -0.05 1.33 -0.53 1.62 0.09 0.00 0.00 178.44 180.91 2opv h VAL 32 N 0.18 1.38 0.12 1.22 3.04 -1.48 -3.16 116.25 117.56 2opv h VAL 32 Ca -0.12 -1.81 -0.35 0.00 -1.01 0.00 0.00 66.70 63.41 2opv h VAL 32 Cb 1.77 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 33.00 2opv h VAL 32 CO 0.19 0.52 -1.92 0.40 -1.01 0.00 0.00 177.57 175.75 2opv h ILE 33 N 0.02 0.71 0.00 3.17 2.04 -1.33 -3.37 117.51 118.75 2opv h ILE 33 Ca -0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 2opv h ILE 33 Cb 0.94 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2opv h ILE 33 CO 0.07 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.68 2opv n GLY 34 N 1.92 1.63 2.55 5.37 0.00 0.48 -2.51 105.19 114.63 2opv n GLY 34 Ca -0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.12 -1.43 0.00 1.61 5.02 0.67 -4.18 118.16 118.74 2opv n LYS 35 Ca 0.00 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.46 2opv n LYS 35 Cb 0.00 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.45 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 -0.58 -0.05 0.00 0.72 0.00 -1.26 -5.02 105.19 98.99 2opv n GLY 36 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.91 0.70 0.09 -0.02 0.00 -1.15 -5.01 105.19 98.89 2opv n GLY 37 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.12 -0.13 1.61 -0.00 -1.83 -3.30 114.58 111.05 2opv h GLU 38 Ca 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.36 59.15 2opv h GLU 38 Cb 0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 28.82 2opv h GLU 38 CO 0.00 0.90 0.02 1.15 -0.00 0.00 0.00 179.01 181.08 2opv h THR 39 N 0.03 1.21 -0.91 -1.06 2.02 -1.82 -2.30 112.91 110.09 2opv h THR 39 Ca -0.21 -0.67 0.07 0.00 0.77 0.00 0.00 66.41 66.37 2opv h THR 39 Cb 1.96 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 69.73 2opv h THR 39 CO 0.12 0.20 0.59 -0.29 0.37 0.00 0.00 175.52 176.51 2opv h ILE 40 N -0.01 1.05 -0.88 3.11 2.10 -1.65 0.12 117.51 121.35 2opv h ILE 40 Ca 0.04 -0.35 -0.01 0.00 1.08 0.00 0.00 64.86 65.63 2opv h ILE 40 Cb 0.28 -0.05 -0.04 0.00 -1.09 0.00 0.00 36.82 35.92 2opv h ILE 40 CO 0.00 0.18 0.52 0.50 -1.08 0.00 0.00 178.15 178.28 2opv h LYS 41 N 1.01 1.19 -0.28 2.19 3.11 -1.58 -2.17 116.57 120.05 2opv h LYS 41 Ca 0.39 -0.11 -0.16 0.00 -2.81 0.00 0.00 60.65 57.96 2opv h LYS 41 Cb 0.23 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2opv h LYS 41 CO -0.15 0.84 -0.46 1.96 -2.81 0.00 0.00 179.45 178.83 2opv h GLN 42 N 1.21 0.73 -0.68 1.90 4.20 -0.57 -2.86 115.11 119.03 2opv h GLN 42 Ca 0.31 -0.41 0.05 0.00 0.06 0.00 0.00 58.65 58.67 2opv h GLN 42 Cb -0.04 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2opv h GLN 42 CO -0.06 1.03 0.45 -0.07 -0.67 0.00 0.00 178.83 179.51 2opv h LEU 43 N 0.58 0.64 -0.14 1.46 3.38 -0.29 0.14 115.31 121.08 2opv h LEU 43 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2opv h LEU 43 Cb 1.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2opv h LEU 43 CO 0.10 0.42 -0.01 1.56 0.09 0.00 0.00 178.44 180.60 2opv h GLN 44 N 0.73 0.25 -0.10 1.13 4.20 -1.20 -2.32 115.11 117.81 2opv h GLN 44 Ca 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2opv h GLN 44 Cb 0.20 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2opv h GLN 44 CO -0.09 0.50 0.02 0.93 -0.67 0.00 0.00 178.83 179.52 2opv h GLU 45 N -0.03 0.16 0.00 1.46 5.08 -1.13 0.13 114.58 120.24 2opv h GLU 45 Ca 0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2opv h GLU 45 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2opv h GLU 45 CO 0.01 0.35 -0.20 0.07 -1.00 0.00 0.00 179.01 178.24 2opv h ARG 46 N -0.05 0.00 0.00 2.33 0.11 -0.82 -2.88 114.38 113.07 2opv h ARG 46 Ca 0.03 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.82 2opv h ARG 46 Cb 0.26 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.29 2opv h ARG 46 CO 0.00 0.20 -1.86 0.00 0.10 0.00 0.00 179.97 178.41 2opv n ALA 47 N -2.22 1.59 -0.99 0.08 0.00 -0.87 -4.99 120.51 113.10 2opv n ALA 47 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2opv n ALA 47 Cb 0.40 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.58 0.87 3.29 0.00 0.00 0.37 -4.83 105.19 106.48 2opv n GLY 48 Ca -0.20 -0.59 -0.20 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 -2.00 0.00 -0.19 1.61 -7.23 -0.79 -4.35 120.40 107.45 2opv s VAL 49 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 2opv s VAL 49 Cb 0.00 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 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 -3.39 3.50 -0.22 4.82 2.20 -0.80 -4.43 119.74 121.41 2opv s LYS 50 Ca 0.41 -0.59 -0.00 0.00 -0.36 0.00 0.00 55.97 55.43 2opv s LYS 50 Cb 0.02 -2.95 0.03 0.00 -1.51 0.00 0.00 37.83 33.41 2opv s LYS 50 CO 0.29 0.00 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.53 2opv s MET 51 N 0.97 2.86 -0.36 4.03 -1.94 -1.26 0.46 119.30 124.06 2opv s MET 51 Ca 0.00 -0.94 -0.12 0.00 -1.71 0.00 0.00 55.69 52.92 2opv s MET 51 Cb -0.15 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 33.87 2opv s MET 51 CO 0.01 -0.34 0.22 -1.50 -0.01 0.00 0.00 175.02 173.40 2opv s ILE 52 N 1.30 4.96 -0.50 2.53 2.07 -0.35 -4.96 121.20 126.24 2opv s ILE 52 Ca 0.01 -0.50 -0.23 0.00 -1.41 0.00 0.00 60.65 58.52 2opv s ILE 52 Cb -0.16 -3.64 0.04 0.00 0.13 0.00 0.00 42.46 38.83 2opv s ILE 52 CO -0.07 -0.10 0.84 -0.76 -1.91 0.00 0.00 174.94 172.94 2opv s LEU 53 N 1.65 4.27 -1.17 8.50 2.01 -1.26 -1.84 118.68 130.84 2opv s LEU 53 Ca 0.05 -0.31 -0.20 0.00 0.01 0.00 0.00 54.13 53.67 2opv s LEU 53 Cb -0.18 -2.85 0.06 0.00 0.01 0.00 0.00 46.19 43.23 2opv s LEU 53 CO 0.09 -1.06 1.61 -0.63 1.01 0.00 0.00 176.35 177.37 2opv s ILE 54 N 3.52 4.02 -0.02 -0.59 1.01 -0.10 -4.24 121.20 124.81 2opv s ILE 54 Ca 0.29 -1.37 0.10 0.00 0.00 0.00 0.00 60.65 59.67 2opv s ILE 54 Cb -0.13 -5.12 -0.16 0.00 0.01 0.00 0.00 42.46 37.06 2opv s ILE 54 CO 0.20 -1.97 0.22 0.00 0.00 0.00 0.00 174.94 173.39 2opv n GLN 55 N 8.63 0.40 -0.18 2.79 10.64 -1.26 -4.15 117.38 134.25 2opv n GLN 55 Ca 0.42 -0.09 -0.08 0.00 -1.83 0.00 0.00 57.00 55.42 2opv n GLN 55 Cb 0.48 -1.25 0.02 0.00 -0.86 0.00 0.00 30.24 28.63 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 0.69 -3.62 2.61 5.19 -2.00 -3.42 116.42 115.87 2opv h ASP 56 Ca -0.01 -0.13 -0.51 0.00 -0.62 0.00 0.00 57.03 55.75 2opv h ASP 56 Cb 0.52 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 39.86 2opv h ASP 56 CO 0.00 0.63 0.48 -0.83 -3.12 0.00 0.00 179.24 176.40 2opv s GLY 57 N -2.97 2.90 -0.18 2.75 0.00 -1.26 -4.94 107.32 103.61 2opv s GLY 57 Ca -0.13 0.83 0.11 0.00 0.00 0.00 0.00 44.72 45.53 2opv s GLY 57 CO 0.77 1.61 1.48 1.44 0.00 0.00 0.00 173.10 178.41 2opv n SER 58 N 2.09 4.69 -0.05 1.64 7.64 -1.26 -3.99 113.62 124.37 2opv n SER 58 Ca 0.02 -2.71 -0.14 0.00 1.01 0.00 0.00 58.87 57.04 2opv n SER 58 Cb 0.46 -0.64 -0.13 0.00 -1.01 0.00 0.00 64.21 62.89 2opv n SER 58 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2opv h GLN 59 N 3.16 0.03 -0.62 1.43 1.08 -1.93 -3.38 115.11 114.87 2opv h GLN 59 Ca 0.00 -0.04 -0.43 0.00 -1.45 0.00 0.00 58.65 56.72 2opv h GLN 59 Cb 1.65 0.02 -0.41 0.00 -0.05 0.00 0.00 27.48 28.68 2opv h GLN 59 CO 0.38 0.95 -0.92 0.09 -0.95 0.00 0.00 178.83 178.38 2opv n ASN 60 N -4.60 3.68 0.09 1.46 4.13 -1.26 -4.77 115.26 113.98 2opv n ASN 60 Ca -0.10 -3.13 0.05 0.00 1.68 0.00 0.00 54.58 53.08 2opv n ASN 60 Cb 0.48 -0.39 -0.02 0.00 -1.54 0.00 0.00 39.78 38.31 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 3.42 0.39 -0.32 3.41 1.03 -1.75 -3.25 112.91 115.84 2opv h THR 61 Ca 0.18 -1.68 0.00 0.00 -0.01 0.00 0.00 66.41 64.90 2opv h THR 61 Cb 1.44 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 70.48 2opv h THR 61 CO 0.54 0.22 0.00 -3.20 -0.01 0.00 0.00 175.52 173.08 2opv n ASN 62 N -2.92 3.02 0.00 0.00 4.05 -1.26 -4.93 115.26 113.22 2opv n ASN 62 Ca -0.03 -1.93 0.00 0.00 0.45 0.00 0.00 54.58 53.06 2opv n ASN 62 Cb 0.71 -0.21 0.00 0.00 1.23 0.00 0.00 39.78 41.52 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2opv n VAL 63 N 1.21 0.00 -1.69 3.44 0.24 -1.22 -4.97 118.33 115.34 2opv n VAL 63 Ca 0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.05 2opv n VAL 63 Cb 0.54 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.89 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 2.87 -4.75 -1.34 9.92 -1.26 -4.07 116.55 117.92 2opv n ASP 64 Ca 0.00 1.17 -0.39 0.00 -0.53 0.00 0.00 54.79 55.04 2opv n ASP 64 Cb 0.00 -1.47 -0.05 0.00 -0.64 0.00 0.00 41.12 38.96 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 -1.03 4.35 -0.49 -1.24 -0.14 0.23 -4.64 119.74 116.78 2opv s LYS 65 Ca 0.62 0.76 -0.28 0.00 -1.36 0.00 0.00 55.97 55.72 2opv s LYS 65 Cb -0.60 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.18 2opv s LYS 65 CO 0.55 0.31 1.72 -2.14 -0.76 0.00 0.00 175.35 175.03 2opv s PRO 66 N -0.00 3.06 -0.25 -1.68 0.02 -1.26 -1.09 135.00 133.80 2opv s PRO 66 Ca 0.32 0.87 -0.05 0.00 0.02 0.00 0.00 61.00 62.17 2opv s PRO 66 Cb -0.18 -4.25 -0.00 0.00 0.02 0.00 0.00 34.50 30.09 2opv s PRO 66 CO 0.17 -2.21 0.00 -1.17 -0.33 0.00 0.00 177.00 173.47 2opv s LEU 67 N 7.51 3.26 -0.38 -5.54 2.96 -0.30 -0.92 118.68 125.27 2opv s LEU 67 Ca 0.68 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2opv s LEU 67 Cb -0.15 -1.79 0.07 0.00 0.50 0.00 0.00 46.19 44.81 2opv s LEU 67 CO 0.27 -0.08 0.18 -0.13 -1.32 0.00 0.00 176.35 175.27 2opv s ARG 68 N 1.49 2.52 -0.47 1.98 0.52 -0.76 -0.20 118.95 124.03 2opv s ARG 68 Ca 0.04 -1.39 -0.24 0.00 -0.52 0.00 0.00 55.73 53.62 2opv s ARG 68 Cb -0.15 -3.61 0.03 0.00 0.52 0.00 0.00 34.95 31.74 2opv s ARG 68 CO -0.01 -0.85 0.85 0.42 0.02 0.00 0.00 175.30 175.73 2opv s ILE 69 N 1.37 4.56 -0.16 1.52 1.09 -0.59 -1.21 121.20 127.78 2opv s ILE 69 Ca 0.02 0.51 -0.03 0.00 -1.10 0.00 0.00 60.65 60.04 2opv s ILE 69 Cb -0.21 -4.39 -0.02 0.00 -1.06 0.00 0.00 42.46 36.78 2opv s ILE 69 CO 0.01 -0.80 -0.05 -0.63 -0.10 0.00 0.00 174.94 173.37 2opv s ILE 70 N 3.51 3.69 0.00 2.92 1.01 0.17 -1.70 121.20 130.81 2opv s ILE 70 Ca 0.32 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2opv s ILE 70 Cb -0.12 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2opv s ILE 70 CO 0.23 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.27 2opv n GLY 71 N 3.73 0.03 3.71 6.18 0.00 -0.31 -1.91 105.19 116.63 2opv n GLY 71 Ca -0.18 -0.36 -0.41 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 7.12 0.57 1.61 2.15 -1.26 -0.51 116.67 122.34 2opv s ASP 72 Ca 0.00 1.35 0.33 0.00 0.43 0.00 0.00 52.55 54.66 2opv s ASP 72 Cb 0.00 -2.47 1.43 0.00 -0.30 0.00 0.00 42.92 41.58 2opv s ASP 72 CO 0.00 -0.17 1.75 -0.65 -0.17 0.00 0.00 175.17 175.93 2opv h PRO 73 N 6.79 0.00 0.00 4.34 0.11 -1.86 0.52 132.00 141.89 2opv h PRO 73 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2opv h PRO 73 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2opv h PRO 73 CO 0.75 0.00 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.49 2opv h TYR 74 N 0.00 0.00 0.00 0.65 3.20 -1.98 -3.00 116.97 115.84 2opv h TYR 74 Ca 0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 2opv h TYR 74 Cb 2.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.28 2opv h TYR 74 CO 0.00 0.00 0.00 1.57 -1.64 0.00 0.00 178.16 178.09 2opv h LYS 75 N -0.99 0.00 -0.37 1.82 2.10 -1.79 0.19 116.57 117.52 2opv h LYS 75 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2opv h LYS 75 Cb 0.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 2opv h LYS 75 CO 0.00 0.00 -0.33 0.28 -2.00 0.00 0.00 179.45 177.40 2opv h VAL 76 N 0.00 1.28 -0.09 0.07 2.07 -0.12 0.19 116.25 119.65 2opv h VAL 76 Ca 0.00 -1.49 -0.18 0.00 0.82 0.00 0.00 66.70 65.85 2opv h VAL 76 Cb 0.56 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2opv h VAL 76 CO 0.00 0.49 -0.65 -0.61 0.02 0.00 0.00 177.57 176.83 2opv h GLN 77 N 0.70 0.60 -0.08 1.57 5.75 -1.17 -0.20 115.11 122.27 2opv h GLN 77 Ca 0.07 -0.52 0.03 0.00 -0.15 0.00 0.00 58.65 58.08 2opv h GLN 77 Cb 0.88 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 2opv h GLN 77 CO 0.08 1.14 -0.11 1.96 -2.65 0.00 0.00 178.83 179.25 2opv h GLN 78 N 0.23 -0.15 -0.94 1.69 4.20 -0.63 0.12 115.11 119.64 2opv h GLN 78 Ca -0.05 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2opv h GLN 78 Cb 1.30 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.07 2opv h GLN 78 CO 0.13 -0.10 0.56 0.00 -0.67 0.00 0.00 178.83 178.75 2opv h ALA 79 N 0.89 1.20 0.41 3.87 0.00 -0.62 0.35 119.26 125.37 2opv h ALA 79 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2opv h ALA 79 Cb 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2opv h ALA 79 CO -0.18 0.66 -0.22 0.00 0.00 0.00 0.00 179.25 179.51 2opv h GLU 81 N -0.58 0.00 -0.06 0.00 -0.00 -0.55 0.34 114.58 113.72 2opv h GLU 81 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.29 2opv h GLU 81 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.21 2opv h GLU 81 CO 0.08 0.27 -0.01 1.98 -0.00 0.00 0.00 179.01 181.32 2opv h MET 82 N 0.00 0.12 -0.07 1.06 4.05 0.08 0.33 114.93 120.50 2opv h MET 82 Ca -0.00 -0.05 -0.21 0.00 -0.28 0.00 0.00 59.70 59.16 2opv h MET 82 Cb 0.75 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2opv h MET 82 CO 0.04 0.45 -0.81 -0.39 0.23 0.00 0.00 176.91 176.43 2opv h VAL 83 N -0.21 1.35 0.00 -5.77 -1.51 -0.63 -2.73 116.25 106.75 2opv h VAL 83 Ca 0.02 -2.18 -0.09 0.00 -1.23 0.00 0.00 66.70 63.22 2opv h VAL 83 Cb 0.41 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.72 2opv h VAL 83 CO 0.01 0.66 -0.41 0.24 -1.23 0.00 0.00 177.57 176.84 2opv h MET 84 N 0.33 0.00 -0.73 5.19 2.86 -0.95 -2.55 114.93 119.09 2opv h MET 84 Ca -0.05 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2opv h MET 84 Cb 1.42 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.04 2opv h MET 84 CO 0.15 0.41 0.28 0.22 1.06 0.00 0.00 176.91 179.03 2opv h ASP 85 N 0.00 1.01 -0.15 1.22 3.58 -0.16 -0.56 116.42 121.36 2opv h ASP 85 Ca -0.00 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.23 2opv h ASP 85 Cb 0.87 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2opv h ASP 85 CO 0.05 0.92 -0.00 0.40 -2.88 0.00 0.00 179.24 177.73 2opv h ILE 86 N 1.05 1.16 0.00 2.25 2.04 -1.16 -2.46 117.51 120.39 2opv h ILE 86 Ca 0.24 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 2opv h ILE 86 Cb 0.23 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2opv h ILE 86 CO -0.02 0.21 -0.75 -0.07 0.00 0.00 0.00 178.15 177.52 2opv h LEU 87 N 0.37 0.00 -1.08 1.44 3.38 -1.10 -3.25 115.31 115.07 2opv h LEU 87 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2opv h LEU 87 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2opv h LEU 87 CO 0.01 0.18 -0.24 -2.11 0.09 0.00 0.00 178.44 176.37 2opv n ARG 88 N -2.91 1.44 0.00 1.13 1.85 -0.27 -5.09 116.66 112.82 2opv n ARG 88 Ca -0.00 -1.08 0.02 0.00 -1.00 0.00 0.00 57.85 55.79 2opv n ARG 88 Cb 0.63 -1.48 0.02 0.00 -1.05 0.00 0.00 32.46 30.58 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71