#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qov n PHE 2 N 0.00 -1.04 -2.20 1.12 3.72 -1.26 -3.47 117.46 114.33 2qov n PHE 2 Ca 0.00 0.38 -0.43 0.00 -0.05 0.00 0.00 57.45 57.35 2qov n PHE 2 Cb 0.00 -2.86 -0.02 0.00 -0.94 0.00 0.00 39.48 35.65 2qov n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qov s THR 3 N -3.09 3.83 -0.59 4.37 -4.23 -1.26 -1.69 115.64 113.00 2qov s THR 3 Ca 0.10 0.96 0.02 0.00 -1.18 0.00 0.00 61.69 61.59 2qov s THR 3 Cb -0.01 -3.80 0.15 0.00 1.34 0.00 0.00 72.50 70.17 2qov s THR 3 CO 0.29 -0.29 0.36 -0.63 -0.54 0.00 0.00 174.62 173.81 2qov s ILE 4 N 4.72 2.96 1.34 2.99 1.01 0.21 -4.97 121.20 129.47 2qov s ILE 4 Ca 0.67 -3.41 -0.19 0.00 0.00 0.00 0.00 60.65 57.72 2qov s ILE 4 Cb -0.24 -2.99 0.35 0.00 0.01 0.00 0.00 42.46 39.58 2qov s ILE 4 CO 0.26 -0.86 0.95 0.54 0.00 0.00 0.00 174.94 175.84 2qov s ASN 5 N -0.24 -0.47 0.00 3.58 4.22 -1.26 0.10 114.94 120.88 2qov s ASN 5 Ca 0.19 1.15 0.00 0.00 -2.14 0.00 0.00 52.86 52.06 2qov s ASN 5 Cb -0.21 -1.72 0.00 0.00 1.28 0.00 0.00 41.25 40.60 2qov s ASN 5 CO -0.04 -5.04 0.00 0.00 -2.04 0.00 0.00 177.10 169.99 2qov n ALA 6 N -5.45 0.00 -3.56 3.54 0.00 0.87 -4.55 120.51 111.37 2qov n ALA 6 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2qov n ALA 6 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 2qov n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2qov s GLU 7 N -1.02 0.63 0.68 0.00 -1.05 -0.74 -4.50 118.70 112.70 2qov s GLU 7 Ca 0.00 -0.04 -0.16 0.00 -0.15 0.00 0.00 54.97 54.62 2qov s GLU 7 Cb 0.00 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2qov s GLU 7 CO 0.00 -0.23 1.23 0.08 0.95 0.00 0.00 175.26 177.28 2qov s VAL 8 N -1.94 2.32 0.20 1.83 1.01 -1.26 -0.32 120.40 122.24 2qov s VAL 8 Ca 0.02 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2qov s VAL 8 Cb -0.01 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 2qov s VAL 8 CO -0.03 -0.07 0.72 -0.13 0.00 0.00 0.00 175.10 175.59 2qov s ARG 9 N -3.67 4.29 0.03 2.72 1.81 0.69 -4.74 118.95 120.07 2qov s ARG 9 Ca 0.77 0.90 -0.18 0.00 -1.72 0.00 0.00 55.73 55.50 2qov s ARG 9 Cb -0.31 -2.98 -0.26 0.00 -0.45 0.00 0.00 34.95 30.95 2qov s ARG 9 CO 0.41 0.45 1.09 -0.22 -0.68 0.00 0.00 175.30 176.35 2qov h LYS 10 N 3.67 0.52 0.00 3.54 3.64 -1.94 -3.49 116.57 122.51 2qov h LYS 10 Ca -0.48 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.28 2qov h LYS 10 Cb 1.20 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2qov h LYS 10 CO 0.65 1.24 0.00 -0.85 -2.27 0.00 0.00 179.45 178.23 2qov n GLU 11 N -4.02 0.72 -1.60 1.90 -0.00 -1.26 -5.19 120.64 111.20 2qov n GLU 11 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.04 2qov n GLU 11 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.26 2qov n GLU 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qov n GLN 12 N 0.00 0.00 0.00 3.44 -0.00 -1.26 -4.93 117.38 114.63 2qov n GLN 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2qov n GLN 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2qov n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qov n GLY 13 N 0.00 -1.93 0.14 2.61 0.00 -1.26 -3.94 105.19 100.81 2qov n GLY 13 Ca 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 2qov n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qov h LYS 14 N 0.00 -0.08 0.00 1.61 3.64 -2.02 -1.41 116.57 118.31 2qov h LYS 14 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2qov h LYS 14 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2qov h LYS 14 CO 0.00 -0.05 0.00 0.41 -2.27 0.00 0.00 179.45 177.54 2qov n GLY 15 N -1.11 -3.34 0.05 5.01 0.00 -1.26 -0.79 105.19 103.74 2qov n GLY 15 Ca -0.00 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.56 2qov n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qov h ALA 16 N -1.76 -0.16 -0.88 4.61 0.00 -1.68 -1.96 119.26 117.44 2qov h ALA 16 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2qov h ALA 16 Cb 0.00 0.94 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 2qov h ALA 16 CO 0.00 -0.20 -0.34 0.77 0.00 0.00 0.00 179.25 179.48 2qov h SER 17 N -0.02 -1.24 -0.98 0.00 0.02 -1.27 0.39 113.55 110.46 2qov h SER 17 Ca 0.01 0.28 0.23 0.00 -0.84 0.00 0.00 61.79 61.47 2qov h SER 17 Cb 0.05 0.67 -0.12 0.00 0.14 0.00 0.00 62.40 63.14 2qov h SER 17 CO -0.09 -0.30 0.55 -0.09 -1.14 0.00 0.00 176.83 175.77 2qov h ARG 18 N -0.04 0.56 -0.47 3.45 9.65 -0.22 0.16 114.38 127.46 2qov h ARG 18 Ca 0.34 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 2qov h ARG 18 Cb 0.60 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 2qov h ARG 18 CO -0.90 0.37 0.30 0.00 2.80 0.00 0.00 179.97 182.54 2qov h ARG 19 N 0.57 0.63 -0.01 0.20 3.08 0.29 -2.14 114.38 117.00 2qov h ARG 19 Ca 0.61 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.62 2qov h ARG 19 Cb 1.12 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2qov h ARG 19 CO -0.47 0.43 0.01 -0.07 -1.07 0.00 0.00 179.97 178.80 2qov h LEU 20 N 0.63 0.00 -1.04 3.04 3.38 -0.39 -1.41 115.31 119.52 2qov h LEU 20 Ca 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2qov h LEU 20 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2qov h LEU 20 CO -0.04 0.00 -0.27 0.03 0.09 0.00 0.00 178.44 178.25 2qov h ARG 21 N 0.00 0.00 0.00 1.13 3.08 -0.86 0.19 114.38 117.92 2qov h ARG 21 Ca 0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2qov h ARG 21 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2qov h ARG 21 CO -0.00 0.27 -0.50 0.00 -1.07 0.00 0.00 179.97 178.67 2qov h ALA 22 N 1.73 1.03 -0.98 0.04 0.00 -1.21 -3.06 119.26 116.81 2qov h ALA 22 Ca -0.00 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 53.77 2qov h ALA 22 Cb 0.80 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.20 2qov h ALA 22 CO 0.04 0.63 0.67 0.00 0.00 0.00 0.00 179.25 180.58 2qov n ALA 23 N -2.38 6.19 -2.52 0.00 0.00 -1.08 -4.88 120.51 115.83 2qov n ALA 23 Ca -0.01 -3.62 -0.04 0.00 0.00 0.00 0.00 53.44 49.77 2qov n ALA 23 Cb 0.55 -1.61 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 2qov n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qov n ASN 24 N -0.84 -1.83 -3.22 0.00 4.13 -1.15 -4.82 115.26 107.53 2qov n ASN 24 Ca 0.59 0.38 -0.34 0.00 1.68 0.00 0.00 54.58 56.90 2qov n ASN 24 Cb 0.64 -1.66 -0.01 0.00 -1.54 0.00 0.00 39.78 37.21 2qov n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qov n LYS 25 N -2.62 4.21 -1.67 3.52 5.02 0.64 0.11 118.16 127.36 2qov n LYS 25 Ca -0.04 -4.70 -0.45 0.00 -2.02 0.00 0.00 58.31 51.10 2qov n LYS 25 Cb 0.53 -2.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.16 2qov n LYS 25 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2qov n PHE 26 N -0.19 2.44 -0.98 2.13 1.16 -1.23 -4.18 117.46 116.61 2qov n PHE 26 Ca 0.39 -0.17 -0.30 0.00 -1.87 0.00 0.00 57.45 55.50 2qov n PHE 26 Cb 0.34 -2.73 0.25 0.00 -1.61 0.00 0.00 39.48 35.73 2qov n PHE 26 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2qov s PRO 27 N 3.94 -1.46 0.00 3.97 0.04 -1.19 -3.20 135.00 137.10 2qov s PRO 27 Ca 0.89 -0.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.65 2qov s PRO 27 Cb -0.56 -1.56 0.08 0.00 0.04 0.00 0.00 34.50 32.50 2qov s PRO 27 CO 0.45 -3.88 1.16 0.00 0.04 0.00 0.00 177.00 174.77 2qov n ALA 28 N -4.89 -3.25 -2.44 8.56 0.00 -0.92 -3.78 120.51 113.80 2qov n ALA 28 Ca 0.13 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 2qov n ALA 28 Cb 0.59 0.18 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 2qov n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qov s ILE 29 N -2.03 0.00 -0.04 0.00 -5.25 -1.05 -2.80 121.20 110.02 2qov s ILE 29 Ca 0.27 -1.86 -0.07 0.00 -0.99 0.00 0.00 60.65 58.00 2qov s ILE 29 Cb -0.01 -2.45 0.01 0.00 2.95 0.00 0.00 42.46 42.97 2qov s ILE 29 CO 0.00 0.00 0.18 -0.63 -1.79 0.00 0.00 174.94 172.70 2qov s ILE 30 N -4.02 0.03 0.01 8.37 1.01 -0.77 -2.86 121.20 122.97 2qov s ILE 30 Ca 0.35 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 2qov s ILE 30 Cb 0.05 -0.34 0.10 0.00 0.01 0.00 0.00 42.46 42.27 2qov s ILE 30 CO 0.13 -0.14 0.99 -0.72 0.00 0.00 0.00 174.94 175.20 2qov s TYR 31 N -0.47 -0.23 0.00 3.97 -0.85 -0.92 -0.50 117.35 118.36 2qov s TYR 31 Ca -0.06 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 2qov s TYR 31 Cb -0.04 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.87 2qov s TYR 31 CO 0.01 -0.55 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 2qov n GLY 32 N -0.31 4.65 7.00 5.49 0.00 -1.22 -0.05 105.19 120.74 2qov n GLY 32 Ca -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2qov n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qov n GLY 33 N -1.87 1.15 0.23 -0.02 0.00 -1.26 -2.88 105.19 100.54 2qov n GLY 33 Ca 0.00 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.50 2qov n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qov h LYS 34 N 0.00 0.00 -6.38 1.61 2.10 -2.00 -3.43 116.57 108.47 2qov h LYS 34 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2qov h LYS 34 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 2qov h LYS 34 CO 0.00 0.12 1.13 -1.21 -2.00 0.00 0.00 179.45 177.49 2qov s GLU 35 N -3.45 3.60 1.10 0.07 0.41 -1.14 -5.00 118.70 114.29 2qov s GLU 35 Ca 0.03 1.29 -0.13 0.00 -0.41 0.00 0.00 54.97 55.75 2qov s GLU 35 Cb 0.08 -4.06 0.21 0.00 -1.78 0.00 0.00 34.13 28.58 2qov s GLU 35 CO 0.63 -1.53 0.82 0.00 -0.49 0.00 0.00 175.26 174.69 2qov n ALA 36 N 9.01 -2.70 -0.65 5.21 0.00 -1.26 -3.45 120.51 126.65 2qov n ALA 36 Ca 0.19 -1.04 -0.29 0.00 0.00 0.00 0.00 53.44 52.30 2qov n ALA 36 Cb 0.47 -1.94 0.16 0.00 0.00 0.00 0.00 19.45 18.13 2qov n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qov n PRO 37 N -4.09 -1.72 -3.69 0.00 -0.02 -1.26 -4.75 135.00 119.48 2qov n PRO 37 Ca 0.05 -0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 60.93 2qov n PRO 37 Cb 0.55 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 32.35 2qov n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qov s LEU 38 N -0.13 -0.21 -0.68 2.45 2.96 0.35 -4.94 118.68 118.48 2qov s LEU 38 Ca 0.49 0.93 -0.15 0.00 -0.22 0.00 0.00 54.13 55.18 2qov s LEU 38 Cb -0.08 1.38 0.17 0.00 0.50 0.00 0.00 46.19 48.17 2qov s LEU 38 CO 0.57 -0.20 0.63 0.00 -1.32 0.00 0.00 176.35 176.03 2qov s ALA 39 N 1.60 3.86 0.50 5.97 0.00 -1.26 -1.85 121.76 130.58 2qov s ALA 39 Ca -0.08 -2.93 0.04 0.00 0.00 0.00 0.00 51.96 48.99 2qov s ALA 39 Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2qov s ALA 39 CO -0.13 -2.15 0.23 0.96 0.00 0.00 0.00 175.76 174.67 2qov s ILE 40 N 0.87 1.64 -0.12 0.00 -0.00 -1.12 -0.22 121.20 122.24 2qov s ILE 40 Ca 0.11 -1.70 -0.12 0.00 -0.00 0.00 0.00 60.65 58.93 2qov s ILE 40 Cb -0.20 -2.34 0.03 0.00 -0.00 0.00 0.00 42.46 39.95 2qov s ILE 40 CO -0.03 0.00 0.35 -1.83 -0.00 0.00 0.00 174.94 173.43 2qov s GLU 41 N -4.07 0.43 0.32 0.37 -1.05 0.57 -2.17 118.70 113.10 2qov s GLU 41 Ca 0.26 0.44 0.00 0.00 -0.15 0.00 0.00 54.97 55.52 2qov s GLU 41 Cb 0.00 0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2qov s GLU 41 CO 0.16 -0.06 0.01 1.28 0.95 0.00 0.00 175.26 177.60 2qov n LEU 42 N 2.77 0.00 -4.75 1.83 4.77 -1.19 -1.79 117.00 118.63 2qov n LEU 42 Ca -0.14 -2.07 -0.35 0.00 -0.03 0.00 0.00 56.01 53.42 2qov n LEU 42 Cb 0.57 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.87 2qov n LEU 42 CO 0.15 -0.30 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.13 2qov s ASP 43 N -2.80 6.25 0.01 -1.43 -1.08 -1.26 -3.56 116.67 112.80 2qov s ASP 43 Ca 0.02 0.28 -0.13 0.00 -0.52 0.00 0.00 52.55 52.20 2qov s ASP 43 Cb 0.00 -2.09 -0.07 0.00 -1.46 0.00 0.00 42.92 39.29 2qov s ASP 43 CO 0.01 0.20 0.95 -0.74 0.52 0.00 0.00 175.17 176.11 2qov h HIS 44 N 6.46 -0.44 0.00 -5.34 -0.00 0.40 -0.29 115.15 115.95 2qov h HIS 44 Ca -0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 2qov h HIS 44 Cb 1.16 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 2qov h HIS 44 CO 0.60 -0.27 0.50 -0.25 -0.00 0.00 0.00 177.93 178.51 2qov n ASP 45 N -3.58 0.20 -0.01 3.26 8.00 -1.26 -0.71 116.55 122.44 2qov n ASP 45 Ca -0.06 0.43 -0.01 0.00 0.71 0.00 0.00 54.79 55.85 2qov n ASP 45 Cb 0.19 -0.29 -0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2qov n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qov n LYS 46 N -1.93 0.08 -0.16 -1.24 4.01 -1.15 -4.49 118.16 113.28 2qov n LYS 46 Ca -0.01 0.03 0.18 0.00 -0.51 0.00 0.00 58.31 58.01 2qov n LYS 46 Cb 0.51 -0.62 0.55 0.00 -0.51 0.00 0.00 35.03 34.96 2qov n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qov h VAL 47 N -0.15 0.74 -0.15 -0.18 2.07 -0.78 -2.37 116.25 115.43 2qov h VAL 47 Ca 0.00 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2qov h VAL 47 Cb 0.15 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2qov h VAL 47 CO 0.00 0.06 -0.20 -0.03 0.02 0.00 0.00 177.57 177.42 2qov h MET 48 N 0.31 -0.24 -0.78 1.57 -1.53 -1.11 -1.21 114.93 111.95 2qov h MET 48 Ca 0.38 0.02 0.19 0.00 -3.44 0.00 0.00 59.70 56.85 2qov h MET 48 Cb 1.03 0.05 -0.05 0.00 -0.55 0.00 0.00 31.60 32.09 2qov h MET 48 CO -0.11 -0.16 0.53 -0.91 0.14 0.00 0.00 176.91 176.41 2qov h ASN 49 N -0.25 0.23 -0.59 1.39 2.35 -1.64 -0.63 115.58 116.44 2qov h ASN 49 Ca 0.11 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 2qov h ASN 49 Cb 0.40 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2qov h ASN 49 CO -0.29 0.11 0.01 0.24 -1.65 0.00 0.00 177.43 175.84 2qov h MET 50 N 0.24 1.04 0.00 0.81 2.86 -1.29 -2.26 114.93 116.34 2qov h MET 50 Ca 0.38 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2qov h MET 50 Cb 1.15 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2qov h MET 50 CO -0.09 1.01 0.06 0.00 1.06 0.00 0.00 176.91 178.95 2qov n GLN 51 N -4.18 0.00 0.07 1.72 -0.00 -0.25 -0.66 117.38 114.09 2qov n GLN 51 Ca 0.03 0.43 -0.21 0.00 -0.00 0.00 0.00 57.00 57.25 2qov n GLN 51 Cb 0.34 -1.56 -0.15 0.00 -0.00 0.00 0.00 30.24 28.88 2qov n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qov h ALA 52 N 1.77 -0.09 -2.01 2.61 0.00 -1.47 -3.43 119.26 116.63 2qov h ALA 52 Ca 0.00 -0.73 -0.57 0.00 0.00 0.00 0.00 54.91 53.62 2qov h ALA 52 Cb 0.11 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2qov h ALA 52 CO 0.00 0.46 1.06 0.21 0.00 0.00 0.00 179.25 180.98 2qov s LYS 53 N -2.56 3.85 0.34 0.00 2.36 0.17 -4.89 119.74 119.02 2qov s LYS 53 Ca -0.12 1.49 0.14 0.00 -2.55 0.00 0.00 55.97 54.93 2qov s LYS 53 Cb 0.02 -3.97 1.06 0.00 -1.05 0.00 0.00 37.83 33.89 2qov s LYS 53 CO 0.86 -1.21 1.68 0.00 1.55 0.00 0.00 175.35 178.23 2qov h ALA 54 N 10.09 1.94 -0.12 3.13 0.00 -1.84 0.43 119.26 132.88 2qov h ALA 54 Ca -0.30 0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2qov h ALA 54 Cb 1.13 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qov h ALA 54 CO 1.01 -0.52 0.13 0.93 0.00 0.00 0.00 179.25 180.80 2qov h GLU 55 N 0.37 0.00 -0.59 0.00 3.07 -1.91 -1.81 114.58 113.71 2qov h GLU 55 Ca 0.72 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.72 2qov h GLU 55 Cb 1.60 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.48 2qov h GLU 55 CO -0.58 0.00 0.41 0.35 -1.40 0.00 0.00 179.01 177.79 2qov h PHE 56 N 0.00 0.16 0.00 4.33 3.57 -0.37 -0.50 116.94 124.14 2qov h PHE 56 Ca 0.06 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.28 2qov h PHE 56 Cb 0.32 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 2qov h PHE 56 CO 0.00 0.06 -2.11 0.66 -2.23 0.00 0.00 178.31 174.70 2qov n TYR 57 N -4.41 0.00 0.00 0.41 4.02 -0.73 -4.54 117.16 111.91 2qov n TYR 57 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2qov n TYR 57 Cb 0.56 -0.79 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 2qov n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qov n SER 58 N -2.58 0.00 -4.77 7.72 7.64 -0.92 -4.48 113.62 116.23 2qov n SER 58 Ca -0.25 0.42 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2qov n SER 58 Cb 1.00 -0.34 0.10 0.00 -1.01 0.00 0.00 64.21 63.96 2qov n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qov s GLU 59 N -0.96 2.05 1.09 1.43 2.12 -0.23 -4.90 118.70 119.30 2qov s GLU 59 Ca 0.00 0.97 -0.13 0.00 0.36 0.00 0.00 54.97 56.17 2qov s GLU 59 Cb 0.00 -1.89 0.24 0.00 0.26 0.00 0.00 34.13 32.74 2qov s GLU 59 CO 0.00 -1.73 1.06 0.08 -0.54 0.00 0.00 175.26 174.13 2qov s VAL 60 N -2.97 2.06 0.01 3.70 1.01 -1.26 -4.66 120.40 118.30 2qov s VAL 60 Ca 0.61 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2qov s VAL 60 Cb -0.17 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2qov s VAL 60 CO 0.56 -0.03 -0.07 -0.76 0.00 0.00 0.00 175.10 174.81 2qov s LEU 61 N -6.88 2.11 -0.62 3.92 1.43 -0.49 -4.87 118.68 113.27 2qov s LEU 61 Ca 0.67 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.33 2qov s LEU 61 Cb -0.22 -0.25 0.15 0.00 0.03 0.00 0.00 46.19 45.89 2qov s LEU 61 CO 0.61 -0.03 0.60 0.42 0.23 0.00 0.00 176.35 178.18 2qov s THR 62 N -0.62 5.23 0.19 5.49 -4.23 -0.68 -0.78 115.64 120.24 2qov s THR 62 Ca -0.02 -1.64 -0.26 0.00 -1.18 0.00 0.00 61.69 58.59 2qov s THR 62 Cb -0.05 -4.40 -0.08 0.00 1.34 0.00 0.00 72.50 69.31 2qov s THR 62 CO 0.00 -0.95 0.82 -0.63 -0.54 0.00 0.00 174.62 173.32 2qov s ILE 63 N 1.47 4.29 -0.27 2.99 1.09 -1.26 0.65 121.20 130.16 2qov s ILE 63 Ca 0.08 1.79 -0.01 0.00 -1.10 0.00 0.00 60.65 61.41 2qov s ILE 63 Cb -0.24 -4.18 0.04 0.00 -1.06 0.00 0.00 42.46 37.02 2qov s ILE 63 CO 0.01 0.50 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.62 2qov s VAL 64 N -1.18 2.86 0.04 2.92 1.01 0.29 -2.68 120.40 123.66 2qov s VAL 64 Ca 0.38 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2qov s VAL 64 Cb -0.24 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2qov s VAL 64 CO 0.28 0.05 0.01 0.68 0.00 0.00 0.00 175.10 176.12 2qov s VAL 65 N 1.28 0.17 0.00 2.92 -7.23 -1.26 -0.09 120.40 116.19 2qov s VAL 65 Ca -0.03 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2qov s VAL 65 Cb -0.18 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.64 2qov s VAL 65 CO -0.03 -0.79 0.00 -0.67 -0.31 0.00 0.00 175.10 173.30 2qov n ASP 66 N 0.54 0.00 0.00 4.85 -0.08 -1.26 -2.18 116.55 118.42 2qov n ASP 66 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2qov n ASP 66 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2qov n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qov n GLY 67 N 0.00 0.03 0.00 0.27 0.00 -1.26 -5.10 105.19 99.12 2qov n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qov n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qov n LYS 68 N 0.00 0.00 -3.82 1.61 0.00 -0.92 -5.17 118.16 109.86 2qov n LYS 68 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2qov n LYS 68 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.06 2qov n LYS 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2qov s GLU 69 N 3.53 2.14 0.00 -1.58 1.03 -1.26 -4.01 118.70 118.54 2qov s GLU 69 Ca 0.00 -1.39 0.00 0.00 0.03 0.00 0.00 54.97 53.61 2qov s GLU 69 Cb 0.00 0.59 0.00 0.00 -0.80 0.00 0.00 34.13 33.92 2qov s GLU 69 CO 0.00 -1.00 0.00 0.44 -1.33 0.00 0.00 175.26 173.37 2qov n ILE 70 N -0.57 0.00 -2.77 1.83 -0.00 -1.09 -4.91 119.36 111.85 2qov n ILE 70 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.64 2qov n ILE 70 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.21 2qov n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qov n LYS 71 N -1.37 -3.11 -4.30 6.28 5.02 -1.25 -4.57 118.16 114.87 2qov n LYS 71 Ca 0.00 2.44 -0.18 0.00 -2.02 0.00 0.00 58.31 58.55 2qov n LYS 71 Cb 0.00 -3.12 -0.09 0.00 -0.02 0.00 0.00 35.03 31.80 2qov n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qov s VAL 72 N -0.36 0.17 0.40 -0.18 -7.23 0.04 -3.46 120.40 109.77 2qov s VAL 72 Ca -0.15 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.87 2qov s VAL 72 Cb 0.01 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.37 2qov s VAL 72 CO 0.40 0.00 0.83 -0.54 -0.31 0.00 0.00 175.10 175.49 2qov s LYS 73 N -3.78 3.97 -0.68 4.82 -0.14 -0.94 -1.39 119.74 121.61 2qov s LYS 73 Ca 0.38 0.75 -0.21 0.00 -1.36 0.00 0.00 55.97 55.52 2qov s LYS 73 Cb 0.05 -2.32 0.09 0.00 -1.68 0.00 0.00 37.83 33.96 2qov s LYS 73 CO 0.19 -0.01 0.92 0.00 -0.76 0.00 0.00 175.35 175.69 2qov s ALA 74 N -2.25 3.21 0.00 5.17 0.00 -1.26 -2.21 121.76 124.42 2qov s ALA 74 Ca 0.56 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2qov s ALA 74 Cb -0.10 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2qov s ALA 74 CO 0.23 -2.70 0.00 1.04 0.00 0.00 0.00 175.76 174.33 2qov n GLN 75 N 7.25 0.16 -2.49 0.00 1.13 -1.17 -4.86 117.38 117.40 2qov n GLN 75 Ca -0.02 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.74 2qov n GLN 75 Cb 0.45 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.78 2qov n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qov s ASP 76 N -1.64 6.42 -0.04 1.08 3.68 -1.26 -4.84 116.67 120.06 2qov s ASP 76 Ca 0.00 1.24 0.02 0.00 2.13 0.00 0.00 52.55 55.95 2qov s ASP 76 Cb 0.00 -2.38 0.01 0.00 -1.45 0.00 0.00 42.92 39.10 2qov s ASP 76 CO 0.00 -0.58 -0.10 0.54 0.13 0.00 0.00 175.17 175.16 2qov s VAL 77 N -2.68 0.88 -0.53 1.11 0.11 -1.26 -0.76 120.40 117.27 2qov s VAL 77 Ca 0.53 -0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 59.11 2qov s VAL 77 Cb -0.10 -0.81 0.14 0.00 -1.53 0.00 0.00 36.38 34.07 2qov s VAL 77 CO 0.39 0.29 0.42 -1.10 -3.33 0.00 0.00 175.10 171.77 2qov s GLN 78 N 0.51 2.69 0.57 1.54 -0.21 0.15 -5.00 119.66 119.90 2qov s GLN 78 Ca -0.09 -1.89 -0.05 0.00 0.02 0.00 0.00 55.36 53.34 2qov s GLN 78 Cb -0.13 -4.03 0.01 0.00 1.00 0.00 0.00 33.01 29.86 2qov s GLN 78 CO 0.02 -1.23 0.87 -0.98 -2.12 0.00 0.00 175.29 171.84 2qov s ARG 79 N 1.16 2.97 0.44 2.91 1.70 -1.26 -1.28 118.95 125.57 2qov s ARG 79 Ca 0.07 -0.06 -0.24 0.00 -0.47 0.00 0.00 55.73 55.03 2qov s ARG 79 Cb -0.25 -2.31 -0.08 0.00 -0.57 0.00 0.00 34.95 31.74 2qov s ARG 79 CO -0.01 -0.62 1.19 -1.58 -1.08 0.00 0.00 175.30 173.20 2qov s HIS 80 N -2.92 2.90 0.52 5.89 5.65 0.78 -4.83 115.29 123.28 2qov s HIS 80 Ca 0.53 1.52 0.26 0.00 0.25 0.00 0.00 55.06 57.62 2qov s HIS 80 Cb -0.10 -3.44 1.39 0.00 -1.18 0.00 0.00 32.58 29.24 2qov s HIS 80 CO 0.44 -1.59 1.95 -1.35 -0.65 0.00 0.00 174.74 173.54 2qov h PRO 81 N 2.30 0.04 0.00 2.88 0.11 -1.97 -3.37 132.00 132.00 2qov h PRO 81 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qov h PRO 81 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qov h PRO 81 CO 0.61 0.03 0.00 2.48 -0.21 0.00 0.00 178.00 180.91 2qov n TYR 82 N -4.36 0.00 -3.17 0.65 -0.00 -1.26 -5.10 117.16 103.92 2qov n TYR 82 Ca 0.13 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.64 2qov n TYR 82 Cb 0.72 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 40.00 2qov n TYR 82 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2qov s LYS 83 N 0.00 4.34 -0.45 -3.48 1.02 -1.26 -4.95 119.74 114.96 2qov s LYS 83 Ca 0.00 0.64 -0.25 0.00 0.02 0.00 0.00 55.97 56.38 2qov s LYS 83 Cb 0.00 -3.48 -0.27 0.00 -0.52 0.00 0.00 37.83 33.57 2qov s LYS 83 CO 0.00 0.02 1.69 -2.30 -0.92 0.00 0.00 175.35 173.84 2qov n PRO 84 N 4.07 0.04 -3.57 -1.68 -0.02 -1.26 -4.23 135.00 128.34 2qov n PRO 84 Ca -0.04 -1.15 -0.07 0.00 -2.02 0.00 0.00 63.50 60.22 2qov n PRO 84 Cb 0.51 -2.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 2qov n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qov s LYS 85 N 7.22 0.48 0.42 -0.52 -2.85 -1.26 -5.07 119.74 118.16 2qov s LYS 85 Ca 0.65 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 2qov s LYS 85 Cb 0.05 0.22 0.08 0.00 -2.06 0.00 0.00 37.83 36.12 2qov s LYS 85 CO 0.23 -0.19 0.57 1.28 0.10 0.00 0.00 175.35 177.35 2qov n LEU 86 N 0.19 0.00 0.14 2.77 4.77 -1.26 -0.16 117.00 123.45 2qov n LEU 86 Ca -0.05 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2qov n LEU 86 Cb 0.59 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2qov n LEU 86 CO 0.11 -0.77 0.00 0.00 -1.33 0.00 0.00 177.39 175.40 2qov n GLN 87 N -2.05 0.00 -4.02 3.23 6.02 -0.41 -4.63 117.38 115.52 2qov n GLN 87 Ca 0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.95 2qov n GLN 87 Cb 0.34 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.46 2qov n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qov s HIS 88 N -1.81 0.25 0.03 1.08 5.65 -1.18 -3.20 115.29 116.11 2qov s HIS 88 Ca 0.00 -0.05 -0.00 0.00 0.25 0.00 0.00 55.06 55.26 2qov s HIS 88 Cb 0.00 -0.16 -0.03 0.00 -1.18 0.00 0.00 32.58 31.21 2qov s HIS 88 CO 0.00 -0.01 -0.03 0.96 -0.65 0.00 0.00 174.74 175.01 2qov s ILE 89 N -0.04 0.19 0.40 0.89 -5.25 -1.25 0.34 121.20 116.48 2qov s ILE 89 Ca 0.01 -1.22 0.08 0.00 -0.99 0.00 0.00 60.65 58.52 2qov s ILE 89 Cb -0.01 -0.70 0.00 0.00 2.95 0.00 0.00 42.46 44.69 2qov s ILE 89 CO -0.00 -0.65 0.51 -1.81 -1.79 0.00 0.00 174.94 171.20 2qov s ASP 90 N -1.95 5.58 -0.22 4.36 1.11 0.06 -2.53 116.67 123.09 2qov s ASP 90 Ca -0.08 -0.45 -0.19 0.00 0.18 0.00 0.00 52.55 52.01 2qov s ASP 90 Cb -0.04 -0.73 0.06 0.00 1.07 0.00 0.00 42.92 43.27 2qov s ASP 90 CO -0.04 -0.68 0.57 -0.36 1.18 0.00 0.00 175.17 175.84 2qov s PHE 91 N -2.35 -0.64 -0.30 4.23 2.99 -1.13 -3.06 117.98 117.71 2qov s PHE 91 Ca 0.52 1.55 -0.03 0.00 0.00 0.00 0.00 56.93 58.97 2qov s PHE 91 Cb -0.09 0.23 0.05 0.00 0.00 0.00 0.00 43.02 43.21 2qov s PHE 91 CO 0.32 -0.31 0.02 0.08 -0.00 0.00 0.00 175.22 175.32 2qov s VAL 92 N 0.40 3.15 -0.33 -0.44 1.01 -0.94 -2.16 120.40 121.09 2qov s VAL 92 Ca -0.01 -1.30 -0.38 0.00 0.00 0.00 0.00 61.98 60.29 2qov s VAL 92 Cb -0.04 -2.79 -0.14 0.00 0.00 0.00 0.00 36.38 33.41 2qov s VAL 92 CO -0.01 -0.10 2.03 0.54 0.00 0.00 0.00 175.10 177.56 2qov n ARG 93 N 4.67 1.04 0.00 2.72 1.74 0.93 -2.20 116.66 125.55 2qov n ARG 93 Ca -0.13 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2qov n ARG 93 Cb 0.44 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 2qov n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11