#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 2.22 0.00 1.61 1.13 -1.25 -4.76 117.38 116.33 2opv n GLN 6 Ca 0.00 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 2opv n GLN 6 Cb 0.00 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.89 2opv n GLN 6 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2opv n PHE 7 N 1.05 0.00 -0.33 1.08 3.72 -0.32 -4.84 117.46 117.81 2opv n PHE 7 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2opv n PHE 7 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2opv n PHE 7 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2opv n HIS 8 N 13.82 -0.91 0.25 1.38 8.25 -1.26 -1.26 115.22 135.48 2opv n HIS 8 Ca 0.00 0.49 0.14 0.00 -0.26 0.00 0.00 57.72 58.08 2opv n HIS 8 Cb 0.00 -1.57 0.52 0.00 1.12 0.00 0.00 29.99 30.06 2opv n HIS 8 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2opv h ASP 9 N 0.37 0.00 -0.12 0.41 2.03 -1.97 -0.82 116.42 116.32 2opv h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2opv h ASP 9 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2opv h ASP 9 CO 0.00 0.09 0.00 0.59 -1.03 0.00 0.00 179.24 178.89 2opv n ASN 10 N -3.19 1.15 -1.75 4.15 5.03 -1.26 -4.99 115.26 114.40 2opv n ASN 10 Ca 0.01 -1.63 -0.01 0.00 0.87 0.00 0.00 54.58 53.82 2opv n ASN 10 Cb 0.39 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 39.07 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2opv n ALA 11 N -0.02 -2.90 -1.82 5.41 0.00 -0.31 -4.95 120.51 115.93 2opv n ALA 11 Ca 0.15 0.59 -0.41 0.00 0.00 0.00 0.00 53.44 53.77 2opv n ALA 11 Cb 0.25 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.27 6.54 0.31 0.00 3.04 -0.39 -4.96 114.94 119.21 2opv s ASN 12 Ca -0.06 2.80 -0.28 0.00 0.04 0.00 0.00 52.86 55.36 2opv s ASN 12 Cb 0.00 -2.64 -0.09 0.00 -1.54 0.00 0.00 41.25 36.98 2opv s ASN 12 CO 0.15 -0.77 1.11 -0.83 -3.04 0.00 0.00 177.10 173.72 2opv s GLY 13 N 0.25 3.01 0.00 1.21 0.00 -1.26 -4.16 107.32 106.37 2opv s GLY 13 Ca 0.59 0.90 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2opv s GLY 13 CO 0.48 1.48 0.00 0.61 0.00 0.00 0.00 173.10 175.67 2opv n GLY 14 N 1.02 2.08 3.13 0.20 0.00 -1.26 -4.82 105.19 105.54 2opv n GLY 14 Ca 0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 1.81 -0.18 1.61 -1.52 -1.26 -5.03 119.66 115.09 2opv s GLN 15 Ca 0.00 -0.60 -0.07 0.00 -1.95 0.00 0.00 55.36 52.74 2opv s GLN 15 Cb 0.00 -1.56 -0.22 0.00 -0.22 0.00 0.00 33.01 31.01 2opv s GLN 15 CO 0.00 0.23 0.14 0.09 -0.25 0.00 0.00 175.29 175.50 2opv n ASN 16 N 3.20 2.04 0.00 5.90 5.03 -1.26 -4.19 115.26 125.98 2opv n ASN 16 Ca -0.18 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.42 2opv n ASN 16 Cb 0.53 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 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 1.94 2.20 3.70 7.41 0.00 -1.26 -1.17 105.19 118.01 2opv n GLY 17 Ca -0.37 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 4.03 -0.03 2.61 2.01 -1.18 -4.86 115.64 118.22 2opv s THR 18 Ca 0.00 1.40 -0.01 0.00 0.31 0.00 0.00 61.69 63.40 2opv s THR 18 Cb 0.00 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.64 2opv s THR 18 CO 0.00 0.03 0.06 0.54 -0.69 0.00 0.00 174.62 174.56 2opv s VAL 19 N 1.91 -0.06 -0.21 3.82 0.11 -1.25 -0.90 120.40 123.81 2opv s VAL 19 Ca 0.59 0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 59.81 2opv s VAL 19 Cb -0.28 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2opv s VAL 19 CO 0.25 0.09 0.01 -1.10 -3.33 0.00 0.00 175.10 171.03 2opv s GLN 20 N 1.18 3.59 -0.31 1.54 -0.21 -0.77 -4.88 119.66 119.80 2opv s GLN 20 Ca -0.08 -0.52 -0.16 0.00 0.02 0.00 0.00 55.36 54.62 2opv s GLN 20 Cb -0.13 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 2opv s GLN 20 CO -0.04 -0.07 0.40 -1.21 -2.12 0.00 0.00 175.29 172.26 2opv s GLU 21 N 1.22 3.79 0.06 2.91 2.02 -1.25 -1.42 118.70 126.03 2opv s GLU 21 Ca 0.03 -0.14 0.05 0.00 0.02 0.00 0.00 54.97 54.94 2opv s GLU 21 Cb -0.15 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 2opv s GLU 21 CO 0.01 -0.44 -0.07 0.42 0.02 0.00 0.00 175.26 175.21 2opv s ILE 22 N 2.13 3.58 -0.58 -1.63 -1.09 -1.00 -4.93 121.20 117.67 2opv s ILE 22 Ca 0.15 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.40 2opv s ILE 22 Cb -0.16 -2.63 0.14 0.00 -1.58 0.00 0.00 42.46 38.24 2opv s ILE 22 CO 0.11 0.23 0.53 -0.04 -1.23 0.00 0.00 174.94 174.54 2opv s MET 23 N -1.90 3.04 -0.03 2.79 -1.94 -1.26 -2.13 119.30 117.87 2opv s MET 23 Ca 0.20 -1.86 -0.30 0.00 -1.71 0.00 0.00 55.69 52.03 2opv s MET 23 Cb -0.11 -4.28 -0.02 0.00 2.01 0.00 0.00 34.83 32.42 2opv s MET 23 CO 0.12 -1.31 0.98 0.42 -0.01 0.00 0.00 175.02 175.22 2opv s ILE 24 N 1.31 4.85 -0.01 2.53 -1.09 -0.78 -4.65 121.20 123.35 2opv s ILE 24 Ca 0.06 2.04 -0.36 0.00 -2.23 0.00 0.00 60.65 60.16 2opv s ILE 24 Cb -0.26 -4.31 -0.14 0.00 -1.58 0.00 0.00 42.46 36.16 2opv s ILE 24 CO 0.00 0.12 1.62 -2.65 -1.23 0.00 0.00 174.94 172.80 2opv n PRO 25 N 4.22 1.68 -0.16 2.79 -0.02 -1.26 -0.11 135.00 142.15 2opv n PRO 25 Ca 0.07 0.61 -0.05 0.00 -2.02 0.00 0.00 63.50 62.11 2opv n PRO 25 Cb 0.50 -2.35 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 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 6.62 0.02 0.00 3.55 0.00 -1.91 -0.21 119.26 127.32 2opv h ALA 26 Ca -0.47 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2opv h ALA 26 Cb 1.29 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2opv h ALA 26 CO 0.89 -0.63 -0.69 0.78 0.00 0.00 0.00 179.25 179.60 2opv h GLY 27 N -0.16 0.00 -0.74 0.00 0.00 -1.91 -3.18 103.07 97.08 2opv h GLY 27 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2opv h GLY 27 CO -0.58 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.13 2opv n LYS 28 N -3.24 1.72 0.28 4.80 4.81 -0.67 -3.76 118.16 122.10 2opv n LYS 28 Ca 0.01 -1.08 0.15 0.00 -0.87 0.00 0.00 58.31 56.52 2opv n LYS 28 Cb 0.80 -1.42 0.79 0.00 0.02 0.00 0.00 35.03 35.22 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 4.14 1.15 -0.92 3.14 0.00 -1.05 -2.33 119.26 123.40 2opv h ALA 29 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.95 2opv h ALA 29 Cb 0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2opv h ALA 29 CO 0.00 0.10 0.59 0.78 0.00 0.00 0.00 179.25 180.72 2opv h GLY 30 N 1.03 1.36 1.33 0.00 0.00 -1.81 -1.83 103.07 103.15 2opv h GLY 30 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.78 2opv h GLY 30 CO 0.01 0.18 -0.56 1.41 0.00 0.00 0.00 176.54 177.59 2opv h LEU 31 N 0.89 0.78 -1.53 3.11 3.38 -1.60 0.21 115.31 120.55 2opv h LEU 31 Ca 0.44 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2opv h LEU 31 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2opv h LEU 31 CO -0.20 1.17 -0.22 1.62 0.09 0.00 0.00 178.44 180.91 2opv h VAL 32 N 0.53 0.75 0.19 1.22 3.04 -1.43 -2.19 116.25 118.36 2opv h VAL 32 Ca 0.01 -0.89 -0.35 0.00 -1.01 0.00 0.00 66.70 64.46 2opv h VAL 32 Cb 1.13 1.55 0.01 0.00 -2.01 0.00 0.00 31.29 31.97 2opv h VAL 32 CO 0.11 0.21 -1.71 0.40 -1.01 0.00 0.00 177.57 175.58 2opv h ILE 33 N 0.00 0.99 0.00 3.17 2.04 -1.17 -3.36 117.51 119.19 2opv h ILE 33 Ca -0.00 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.30 2opv h ILE 33 Cb 0.53 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2opv h ILE 33 CO 0.03 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.64 2opv n GLY 34 N 1.83 0.29 0.09 5.37 0.00 0.73 -0.76 105.19 112.74 2opv n GLY 34 Ca -0.23 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 0.79 -1.43 1.61 4.76 -1.26 -4.30 118.16 118.32 2opv n LYS 35 Ca 0.00 -0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.39 2opv n LYS 35 Cb 0.00 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2opv n GLY 36 N 1.75 0.89 2.99 0.72 0.00 -1.26 -4.96 105.19 105.32 2opv n GLY 36 Ca -0.30 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.04 0.99 0.10 -0.02 0.00 -1.25 -4.87 105.19 100.10 2opv n GLY 37 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 2.95 0.00 0.07 1.61 -0.00 -1.93 -3.16 114.58 114.11 2opv h GLU 38 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2opv h GLU 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2opv h GLU 38 CO 0.00 0.78 -0.03 1.15 -0.00 0.00 0.00 179.01 180.91 2opv h THR 39 N 0.00 1.22 -0.73 -1.06 2.02 -1.88 -2.42 112.91 110.05 2opv h THR 39 Ca -0.01 -1.24 0.04 0.00 0.77 0.00 0.00 66.41 65.98 2opv h THR 39 Cb 1.53 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 69.89 2opv h THR 39 CO 0.10 0.30 0.48 -0.29 0.37 0.00 0.00 175.52 176.48 2opv h ILE 40 N -0.68 1.08 -0.87 3.11 2.10 -1.06 0.25 117.51 121.43 2opv h ILE 40 Ca -0.01 -0.29 -0.03 0.00 1.08 0.00 0.00 64.86 65.61 2opv h ILE 40 Cb 0.56 0.16 -0.04 0.00 -1.09 0.00 0.00 36.82 36.41 2opv h ILE 40 CO 0.02 0.15 0.44 0.50 -1.08 0.00 0.00 178.15 178.18 2opv h LYS 41 N 0.85 1.24 0.00 2.19 3.64 -1.54 -2.86 116.57 120.09 2opv h LYS 41 Ca 0.30 -0.17 -0.25 0.00 -1.27 0.00 0.00 60.65 59.26 2opv h LYS 41 Cb 0.12 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2opv h LYS 41 CO -0.09 0.93 -1.00 1.96 -2.27 0.00 0.00 179.45 178.98 2opv h GLN 42 N 1.24 0.57 -0.97 1.90 4.20 -0.62 -3.28 115.11 118.13 2opv h GLN 42 Ca 0.30 -0.61 0.15 0.00 0.06 0.00 0.00 58.65 58.55 2opv h GLN 42 Cb 0.08 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 27.94 2opv h GLN 42 CO -0.04 1.23 0.59 -0.07 -0.67 0.00 0.00 178.83 179.87 2opv h LEU 43 N 0.32 0.81 -0.75 1.46 3.38 -0.36 0.78 115.31 120.96 2opv h LEU 43 Ca -0.11 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2opv h LEU 43 Cb 1.65 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 2opv h LEU 43 CO 0.19 0.38 0.49 1.56 0.09 0.00 0.00 178.44 181.15 2opv h GLN 44 N 0.86 0.97 0.00 1.13 4.20 -1.59 -2.65 115.11 118.04 2opv h GLN 44 Ca 0.52 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.96 2opv h GLN 44 Cb 0.64 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2opv h GLN 44 CO -0.32 0.64 -1.01 0.93 -0.67 0.00 0.00 178.83 178.41 2opv h GLU 45 N 1.00 0.00 -0.68 1.46 5.08 -0.96 0.28 114.58 120.77 2opv h GLU 45 Ca 0.28 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 2opv h GLU 45 Cb -0.10 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.06 2opv h GLU 45 CO -0.06 0.89 0.24 0.00 -1.00 0.00 0.00 179.01 179.07 2opv h ARG 46 N 0.00 0.38 0.00 2.33 2.47 0.81 -2.44 114.38 117.92 2opv h ARG 46 Ca -0.04 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2opv h ARG 46 Cb 1.74 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.98 2opv h ARG 46 CO 0.12 0.25 -1.03 0.00 0.56 0.00 0.00 179.97 179.87 2opv n ALA 47 N -2.53 4.18 -2.10 0.04 0.00 -1.09 -4.98 120.51 114.03 2opv n ALA 47 Ca 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 2opv n ALA 47 Cb 0.36 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.44 0.17 3.74 0.00 0.00 -0.18 -4.80 105.19 105.57 2opv n GLY 48 Ca 0.02 -0.68 -0.32 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 -2.26 1.26 -0.23 1.61 -7.23 0.81 -4.87 120.40 109.49 2opv s VAL 49 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2opv s VAL 49 Cb -0.00 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 2opv s VAL 49 CO 0.00 0.00 0.07 -0.75 -0.31 0.00 0.00 175.10 174.11 2opv s LYS 50 N -3.86 3.73 -0.24 4.82 2.20 -0.32 -4.40 119.74 121.68 2opv s LYS 50 Ca 0.09 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2opv s LYS 50 Cb 0.03 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2opv s LYS 50 CO 0.05 -0.08 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.21 2opv s MET 51 N 1.34 2.74 -0.32 4.03 -1.94 -1.26 0.12 119.30 124.02 2opv s MET 51 Ca 0.05 -1.02 -0.05 0.00 -1.71 0.00 0.00 55.69 52.96 2opv s MET 51 Cb -0.15 -2.87 0.04 0.00 2.01 0.00 0.00 34.83 33.86 2opv s MET 51 CO 0.04 -0.39 0.07 -1.50 -0.01 0.00 0.00 175.02 173.22 2opv s ILE 52 N 1.27 3.59 -0.54 2.53 2.07 0.14 -4.95 121.20 125.32 2opv s ILE 52 Ca -0.01 -1.13 -0.19 0.00 -1.41 0.00 0.00 60.65 57.92 2opv s ILE 52 Cb -0.17 -3.01 0.07 0.00 0.13 0.00 0.00 42.46 39.49 2opv s ILE 52 CO -0.07 -0.11 0.67 -0.76 -1.91 0.00 0.00 174.94 172.76 2opv s LEU 53 N 1.38 5.04 -1.04 8.50 2.01 -1.26 -1.71 118.68 131.61 2opv s LEU 53 Ca -0.02 -1.04 -0.23 0.00 0.01 0.00 0.00 54.13 52.85 2opv s LEU 53 Cb -0.19 -2.42 0.00 0.00 0.01 0.00 0.00 46.19 43.60 2opv s LEU 53 CO 0.02 -0.98 1.71 -0.63 1.01 0.00 0.00 176.35 177.48 2opv s ILE 54 N 2.72 3.74 -0.16 -0.59 1.01 0.10 -4.56 121.20 123.47 2opv s ILE 54 Ca 0.15 -0.80 0.12 0.00 0.00 0.00 0.00 60.65 60.11 2opv s ILE 54 Cb -0.20 -4.66 -0.18 0.00 0.01 0.00 0.00 42.46 37.42 2opv s ILE 54 CO 0.10 -1.50 0.02 0.00 0.00 0.00 0.00 174.94 173.56 2opv n GLN 55 N 8.74 1.37 0.13 2.79 1.13 -1.26 -4.20 117.38 126.08 2opv n GLN 55 Ca 0.39 0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.58 2opv n GLN 55 Cb 0.48 -1.39 0.31 0.00 0.11 0.00 0.00 30.24 29.75 2opv n GLN 55 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2opv h ASP 56 N 0.00 0.00 -3.37 1.08 3.32 -1.98 -3.45 116.42 112.02 2opv h ASP 56 Ca -0.42 -0.02 -0.54 0.00 0.02 0.00 0.00 57.03 56.08 2opv h ASP 56 Cb 1.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.44 2opv h ASP 56 CO 0.01 0.01 0.42 -0.83 -1.72 0.00 0.00 179.24 177.13 2opv s GLY 57 N -3.79 2.79 0.00 2.75 0.00 -1.26 -4.93 107.32 102.88 2opv s GLY 57 Ca 0.09 0.63 0.26 0.00 0.00 0.00 0.00 44.72 45.70 2opv s GLY 57 CO 0.63 1.77 1.94 -1.14 0.00 0.00 0.00 173.10 176.30 2opv n SER 58 N 3.80 0.26 0.20 1.64 3.41 -1.26 -3.20 113.62 118.47 2opv n SER 58 Ca 0.06 -1.25 -0.08 0.00 -0.26 0.00 0.00 58.87 57.34 2opv n SER 58 Cb 0.50 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 2opv n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2opv h GLN 59 N 0.38 -0.50 0.00 4.33 7.50 -1.94 -3.36 115.11 121.52 2opv h GLN 59 Ca 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 2opv h GLN 59 Cb 0.08 0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.69 2opv h GLN 59 CO 0.00 -0.33 -0.55 0.09 -1.50 0.00 0.00 178.83 176.54 2opv n ASN 60 N -3.80 1.64 0.28 1.46 5.03 -1.26 -4.73 115.26 113.89 2opv n ASN 60 Ca -0.06 -3.71 0.16 0.00 0.87 0.00 0.00 54.58 51.83 2opv n ASN 60 Cb 0.20 -0.51 0.78 0.00 -1.02 0.00 0.00 39.78 39.24 2opv n ASN 60 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2opv h THR 61 N 1.59 0.26 0.00 3.41 1.03 -1.70 -2.57 112.91 114.93 2opv h THR 61 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 2opv h THR 61 Cb 1.09 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 2opv h THR 61 CO 0.01 0.07 -1.54 -3.20 -0.01 0.00 0.00 175.52 170.85 2opv n ASN 62 N -3.31 0.38 0.00 0.00 2.85 -1.26 -4.99 115.26 108.93 2opv n ASN 62 Ca -0.01 -0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2opv n ASN 62 Cb 0.25 1.43 0.00 0.00 1.24 0.00 0.00 39.78 42.71 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2opv n VAL 63 N -2.12 0.00 -1.65 3.44 0.24 -0.97 -4.90 118.33 112.37 2opv n VAL 63 Ca -0.01 0.00 -0.51 0.00 -2.04 0.00 0.00 64.34 61.78 2opv n VAL 63 Cb 0.50 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 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 2.51 -4.75 -1.34 9.92 -1.26 -4.18 116.55 117.46 2opv n ASP 64 Ca 0.00 1.07 -0.40 0.00 -0.53 0.00 0.00 54.79 54.93 2opv n ASP 64 Cb 0.00 -1.27 -0.05 0.00 -0.64 0.00 0.00 41.12 39.15 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 1.90 4.63 -0.36 -1.24 -0.14 0.85 -4.63 119.74 120.74 2opv s LYS 65 Ca 0.87 1.27 -0.29 0.00 -1.36 0.00 0.00 55.97 56.47 2opv s LYS 65 Cb -0.86 -3.34 -0.00 0.00 -1.68 0.00 0.00 37.83 31.95 2opv s LYS 65 CO 0.49 0.34 1.58 -2.14 -0.76 0.00 0.00 175.35 174.86 2opv s PRO 66 N -0.36 3.50 -0.03 -1.68 0.02 -1.26 -1.87 135.00 133.32 2opv s PRO 66 Ca 0.41 1.19 0.04 0.00 0.02 0.00 0.00 61.00 62.67 2opv s PRO 66 Cb -0.23 -4.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.17 2opv s PRO 66 CO 0.27 -1.65 -0.15 -1.17 -0.33 0.00 0.00 177.00 173.97 2opv s LEU 67 N 5.97 2.70 -0.06 -5.54 1.98 -0.91 -0.72 118.68 122.10 2opv s LEU 67 Ca 0.69 -0.25 -0.00 0.00 -2.89 0.00 0.00 54.13 51.68 2opv s LEU 67 Cb -0.18 -1.55 0.03 0.00 0.66 0.00 0.00 46.19 45.14 2opv s LEU 67 CO 0.33 0.33 -0.02 -0.13 -1.89 0.00 0.00 176.35 174.96 2opv s ARG 68 N -0.88 0.74 -0.45 1.98 0.52 -0.69 -2.36 118.95 117.80 2opv s ARG 68 Ca 0.12 0.00 -0.13 0.00 -0.52 0.00 0.00 55.73 55.21 2opv s ARG 68 Cb -0.11 -0.94 0.08 0.00 0.52 0.00 0.00 34.95 34.50 2opv s ARG 68 CO 0.02 -0.21 0.34 0.42 0.02 0.00 0.00 175.30 175.89 2opv s ILE 69 N 1.51 4.79 -0.22 1.52 1.01 -0.50 -0.68 121.20 128.63 2opv s ILE 69 Ca -0.02 -1.25 -0.08 0.00 0.00 0.00 0.00 60.65 59.30 2opv s ILE 69 Cb -0.13 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2opv s ILE 69 CO -0.03 -0.57 0.09 -0.63 0.00 0.00 0.00 174.94 173.80 2opv s ILE 70 N 1.54 4.81 0.00 2.92 1.01 0.12 -1.86 121.20 129.74 2opv s ILE 70 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2opv s ILE 70 Cb -0.24 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2opv s ILE 70 CO 0.04 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2opv n GLY 71 N 4.17 -0.40 3.44 6.18 0.00 -0.08 -1.17 105.19 117.32 2opv n GLY 71 Ca -0.16 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 3.84 0.33 1.61 -1.08 -1.26 -3.08 116.67 113.03 2opv s ASP 72 Ca 0.00 -0.26 0.10 0.00 -0.52 0.00 0.00 52.55 51.87 2opv s ASP 72 Cb 0.00 -0.82 1.00 0.00 -1.46 0.00 0.00 42.92 41.63 2opv s ASP 72 CO 0.00 0.33 1.58 -0.65 0.52 0.00 0.00 175.17 176.94 2opv h PRO 73 N 5.49 0.02 0.90 4.34 0.11 -1.95 0.53 132.00 141.44 2opv h PRO 73 Ca -0.44 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 2opv h PRO 73 Cb 1.15 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2opv h PRO 73 CO 0.50 0.01 -0.43 -0.92 -0.21 0.00 0.00 178.00 176.95 2opv h TYR 74 N 0.02 -1.12 0.00 0.65 3.20 -1.99 -1.53 116.97 116.20 2opv h TYR 74 Ca 0.70 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.47 2opv h TYR 74 Cb 1.64 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 40.27 2opv h TYR 74 CO -0.29 -0.70 -0.33 1.57 -1.64 0.00 0.00 178.16 176.77 2opv h LYS 75 N -1.23 0.00 -0.57 1.82 2.10 -1.50 -1.36 116.57 115.83 2opv h LYS 75 Ca -0.12 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.42 2opv h LYS 75 Cb 0.92 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.24 2opv h LYS 75 CO 0.20 0.33 -0.07 0.28 -2.00 0.00 0.00 179.45 178.20 2opv h VAL 76 N 0.00 1.27 -0.09 0.07 2.07 0.01 0.13 116.25 119.71 2opv h VAL 76 Ca -0.00 -1.23 -0.17 0.00 0.82 0.00 0.00 66.70 66.12 2opv h VAL 76 Cb 1.08 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2opv h VAL 76 CO 0.04 0.44 -0.62 -0.61 0.02 0.00 0.00 177.57 176.84 2opv h GLN 77 N 0.94 0.58 -0.59 1.57 5.75 -1.08 -0.45 115.11 121.83 2opv h GLN 77 Ca 0.15 -0.50 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2opv h GLN 77 Cb 0.63 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 2opv h GLN 77 CO 0.04 1.13 0.35 1.96 -2.65 0.00 0.00 178.83 179.66 2opv h GLN 78 N 0.20 0.80 -0.61 1.69 4.20 -1.17 0.85 115.11 121.07 2opv h GLN 78 Ca -0.05 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 2opv h GLN 78 Cb 1.27 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2opv h GLN 78 CO 0.13 0.58 0.09 0.00 -0.67 0.00 0.00 178.83 178.95 2opv h ALA 79 N 1.18 1.00 0.43 3.87 0.00 -0.73 -0.60 119.26 124.41 2opv h ALA 79 Ca 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2opv h ALA 79 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2opv h ALA 79 CO -0.04 0.63 -0.21 0.00 0.00 0.00 0.00 179.25 179.63 2opv h GLU 81 N -0.70 0.00 -0.07 0.00 4.11 -0.80 0.36 114.58 117.48 2opv h GLU 81 Ca -0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 2opv h GLU 81 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2opv h GLU 81 CO 0.10 0.00 -0.26 1.98 0.07 0.00 0.00 179.01 180.90 2opv h MET 82 N 0.00 0.29 0.00 1.06 4.05 -0.80 -1.52 114.93 118.01 2opv h MET 82 Ca 0.00 -0.23 -0.20 0.00 -0.28 0.00 0.00 59.70 59.00 2opv h MET 82 Cb 0.42 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 2opv h MET 82 CO 0.00 0.86 -0.95 -0.39 0.23 0.00 0.00 176.91 176.66 2opv h VAL 83 N -0.21 1.60 -0.29 -5.77 -1.51 -0.61 -2.81 116.25 106.65 2opv h VAL 83 Ca -0.01 -3.27 -0.07 0.00 -1.23 0.00 0.00 66.70 62.11 2opv h VAL 83 Cb 0.90 2.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.84 2opv h VAL 83 CO 0.05 0.91 -0.12 -0.03 -1.23 0.00 0.00 177.57 177.16 2opv h MET 84 N 0.00 0.49 -0.80 5.19 -1.53 -0.39 -1.92 114.93 115.98 2opv h MET 84 Ca -0.01 -0.14 0.02 0.00 -3.44 0.00 0.00 59.70 56.13 2opv h MET 84 Cb 1.73 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 32.68 2opv h MET 84 CO 0.12 0.61 0.52 0.22 0.14 0.00 0.00 176.91 178.52 2opv h ASP 85 N 0.45 0.88 -0.20 1.39 1.82 -1.09 0.35 116.42 120.03 2opv h ASP 85 Ca 0.09 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 2opv h ASP 85 Cb 0.48 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2opv h ASP 85 CO 0.03 0.62 -0.01 0.40 -1.61 0.00 0.00 179.24 178.68 2opv h ILE 86 N 1.04 1.19 -0.00 2.25 2.04 -1.12 -0.68 117.51 122.22 2opv h ILE 86 Ca 0.31 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2opv h ILE 86 Cb -0.06 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2opv h ILE 86 CO -0.09 0.26 -0.17 0.18 0.00 0.00 0.00 178.15 178.32 2opv n LEU 87 N -4.29 0.48 -0.20 1.44 4.77 -0.70 -2.82 117.00 115.68 2opv n LEU 87 Ca 0.01 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 2opv n LEU 87 Cb 0.24 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2opv n LEU 87 CO 0.39 0.09 0.10 -1.14 -1.33 0.00 0.00 177.39 175.50 2opv n ARG 88 N -1.08 1.06 0.00 3.23 0.63 0.03 -5.07 116.66 115.47 2opv n ARG 88 Ca 0.12 -0.41 0.00 0.00 -0.92 0.00 0.00 57.85 56.64 2opv n ARG 88 Cb 0.30 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 31.82 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21