#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qox n PHE 2 N 0.00 -0.92 -2.22 1.12 3.72 -1.26 -3.52 117.46 114.38 2qox n PHE 2 Ca 0.00 0.33 -0.43 0.00 -0.05 0.00 0.00 57.45 57.31 2qox n PHE 2 Cb 0.00 -2.75 -0.02 0.00 -0.94 0.00 0.00 39.48 35.76 2qox n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qox s THR 3 N -3.07 3.88 -0.59 4.37 -4.23 -1.26 -1.77 115.64 112.97 2qox s THR 3 Ca 0.09 1.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.64 2qox s THR 3 Cb -0.01 -3.82 0.15 0.00 1.34 0.00 0.00 72.50 70.15 2qox s THR 3 CO 0.25 -0.27 0.36 -0.63 -0.54 0.00 0.00 174.62 173.79 2qox s ILE 4 N 4.56 2.90 1.32 2.99 1.01 0.15 -4.97 121.20 129.16 2qox s ILE 4 Ca 0.65 -3.51 -0.19 0.00 0.00 0.00 0.00 60.65 57.61 2qox s ILE 4 Cb -0.24 -2.95 0.33 0.00 0.01 0.00 0.00 42.46 39.61 2qox s ILE 4 CO 0.25 -0.87 0.86 -0.46 0.00 0.00 0.00 174.94 174.72 2qox n ASN 5 N 2.87 -3.07 0.00 3.58 6.94 -1.26 0.68 115.26 125.01 2qox n ASN 5 Ca 0.09 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 2qox n ASN 5 Cb 0.34 -1.09 0.00 0.00 -2.36 0.00 0.00 39.78 36.66 2qox n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qox n ALA 6 N -5.38 0.00 -3.55 -2.53 0.00 0.91 -4.55 120.51 105.42 2qox n ALA 6 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2qox n ALA 6 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2qox n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2qox s GLU 7 N -1.03 0.64 0.66 0.00 -1.05 -0.78 -4.48 118.70 112.66 2qox s GLU 7 Ca 0.00 -0.08 -0.17 0.00 -0.15 0.00 0.00 54.97 54.57 2qox s GLU 7 Cb 0.00 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 33.99 2qox s GLU 7 CO 0.00 -0.25 1.22 0.08 0.95 0.00 0.00 175.26 177.26 2qox s VAL 8 N -2.14 2.44 0.20 1.83 1.01 -1.26 -0.31 120.40 122.17 2qox s VAL 8 Ca 0.03 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2qox s VAL 8 Cb -0.01 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 2qox s VAL 8 CO -0.04 -0.08 0.73 -0.13 0.00 0.00 0.00 175.10 175.58 2qox s ARG 9 N -3.60 4.33 0.01 2.72 1.81 0.73 -4.75 118.95 120.20 2qox s ARG 9 Ca 0.77 0.94 -0.19 0.00 -1.72 0.00 0.00 55.73 55.52 2qox s ARG 9 Cb -0.31 -2.98 -0.24 0.00 -0.45 0.00 0.00 34.95 30.97 2qox s ARG 9 CO 0.39 0.45 1.09 -0.22 -0.68 0.00 0.00 175.30 176.33 2qox h LYS 10 N 3.68 0.43 0.00 3.54 3.64 -1.94 -3.49 116.57 122.44 2qox h LYS 10 Ca -0.48 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.41 2qox h LYS 10 Cb 1.20 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2qox h LYS 10 CO 0.65 1.15 0.00 -0.85 -2.27 0.00 0.00 179.45 178.13 2qox n GLU 11 N -4.16 0.94 -3.01 1.90 -0.00 -1.26 -5.19 120.64 109.85 2qox n GLU 11 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.05 2qox n GLU 11 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.16 2qox n GLU 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qox n GLN 12 N 0.00 -0.75 0.00 3.44 -0.00 -1.26 -4.93 117.38 113.88 2qox n GLN 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2qox n GLN 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2qox n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qox n GLY 13 N 0.00 -2.28 0.09 2.61 0.00 -1.26 -3.91 105.19 100.44 2qox n GLY 13 Ca 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 2qox n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qox h LYS 14 N 0.00 -0.02 0.00 1.61 3.64 -2.02 -1.37 116.57 118.41 2qox h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qox h LYS 14 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2qox h LYS 14 CO 0.00 -0.01 0.00 0.41 -2.27 0.00 0.00 179.45 177.58 2qox n GLY 15 N -1.06 -3.37 0.03 5.01 0.00 -1.26 -0.80 105.19 103.74 2qox n GLY 15 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 2qox n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qox h ALA 16 N -1.74 -0.11 -0.87 4.61 0.00 -1.66 -2.01 119.26 117.47 2qox h ALA 16 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2qox h ALA 16 Cb 0.00 0.95 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 2qox h ALA 16 CO 0.00 -0.14 -0.39 0.77 0.00 0.00 0.00 179.25 179.49 2qox h SER 17 N -0.01 -1.42 -0.98 0.00 0.02 -1.25 0.35 113.55 110.26 2qox h SER 17 Ca 0.01 0.29 0.26 0.00 -0.84 0.00 0.00 61.79 61.51 2qox h SER 17 Cb 0.03 0.72 -0.13 0.00 0.14 0.00 0.00 62.40 63.16 2qox h SER 17 CO -0.05 -0.29 0.54 -0.09 -1.14 0.00 0.00 176.83 175.80 2qox h ARG 18 N -0.06 0.46 -0.51 3.45 9.65 -0.26 0.31 114.38 127.42 2qox h ARG 18 Ca 0.30 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 2qox h ARG 18 Cb 0.57 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 2qox h ARG 18 CO -0.89 0.31 0.32 0.00 2.80 0.00 0.00 179.97 182.50 2qox h ARG 19 N 0.47 0.69 0.00 0.20 3.08 0.22 -2.17 114.38 116.87 2qox h ARG 19 Ca 0.65 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.64 2qox h ARG 19 Cb 1.31 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2qox h ARG 19 CO -0.52 0.49 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.78 2qox h LEU 20 N 0.69 0.00 -1.06 3.04 3.38 -0.12 -1.55 115.31 119.69 2qox h LEU 20 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2qox h LEU 20 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qox h LEU 20 CO -0.04 0.01 -0.26 0.03 0.09 0.00 0.00 178.44 178.28 2qox h ARG 21 N 0.00 0.00 0.00 1.13 3.08 -0.83 0.19 114.38 117.95 2qox h ARG 21 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2qox h ARG 21 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2qox h ARG 21 CO 0.00 0.26 -0.55 0.00 -1.07 0.00 0.00 179.97 178.61 2qox h ALA 22 N 1.74 1.07 -0.99 0.04 0.00 -1.23 -3.04 119.26 116.85 2qox h ALA 22 Ca -0.00 -0.50 -0.68 0.00 0.00 0.00 0.00 54.91 53.73 2qox h ALA 22 Cb 0.79 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.19 2qox h ALA 22 CO 0.03 0.68 0.74 0.00 0.00 0.00 0.00 179.25 180.70 2qox n ALA 23 N -2.42 6.24 -2.41 0.00 0.00 -1.08 -4.88 120.51 115.96 2qox n ALA 23 Ca -0.01 -3.60 -0.04 0.00 0.00 0.00 0.00 53.44 49.79 2qox n ALA 23 Cb 0.56 -1.67 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 2qox n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qox n ASN 24 N -0.84 -1.85 -3.30 0.00 4.13 -1.15 -4.82 115.26 107.43 2qox n ASN 24 Ca 0.60 0.39 -0.34 0.00 1.68 0.00 0.00 54.58 56.91 2qox n ASN 24 Cb 0.63 -1.69 -0.01 0.00 -1.54 0.00 0.00 39.78 37.17 2qox n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qox n LYS 25 N -2.52 4.40 -1.67 3.52 5.02 0.64 0.12 118.16 127.66 2qox n LYS 25 Ca -0.04 -4.76 -0.44 0.00 -2.02 0.00 0.00 58.31 51.04 2qox n LYS 25 Cb 0.51 -2.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 2qox n LYS 25 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2qox n PHE 26 N -0.15 2.49 -0.97 2.13 1.16 -1.24 -4.15 117.46 116.73 2qox n PHE 26 Ca 0.39 -0.23 -0.30 0.00 -1.87 0.00 0.00 57.45 55.45 2qox n PHE 26 Cb 0.32 -2.75 0.25 0.00 -1.61 0.00 0.00 39.48 35.69 2qox n PHE 26 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2qox s PRO 27 N 3.92 -1.61 -0.03 3.97 0.04 -1.20 -3.18 135.00 136.92 2qox s PRO 27 Ca 0.88 -0.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.59 2qox s PRO 27 Cb -0.51 -1.55 0.08 0.00 0.04 0.00 0.00 34.50 32.55 2qox s PRO 27 CO 0.43 -3.96 1.11 0.00 0.04 0.00 0.00 177.00 174.62 2qox n ALA 28 N -4.94 -3.13 -2.48 8.56 0.00 -0.93 -3.78 120.51 113.82 2qox n ALA 28 Ca 0.14 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 2qox n ALA 28 Cb 0.60 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 2qox n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qox s ILE 29 N -2.03 0.00 -0.05 0.00 -5.25 -1.05 -2.83 121.20 109.99 2qox s ILE 29 Ca 0.26 -1.84 -0.09 0.00 -0.99 0.00 0.00 60.65 58.00 2qox s ILE 29 Cb -0.01 -2.45 0.02 0.00 2.95 0.00 0.00 42.46 42.97 2qox s ILE 29 CO -0.01 0.00 0.22 -0.63 -1.79 0.00 0.00 174.94 172.73 2qox s ILE 30 N -3.92 0.03 -0.01 8.37 1.01 -0.80 -2.86 121.20 123.02 2qox s ILE 30 Ca 0.35 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 2qox s ILE 30 Cb 0.04 -0.39 0.10 0.00 0.01 0.00 0.00 42.46 42.22 2qox s ILE 30 CO 0.14 -0.14 0.98 -0.72 0.00 0.00 0.00 174.94 175.21 2qox s TYR 31 N -0.48 -0.25 0.00 3.97 -0.85 -0.88 -0.58 117.35 118.28 2qox s TYR 31 Ca -0.06 0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 2qox s TYR 31 Cb -0.04 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.86 2qox s TYR 31 CO 0.01 -0.52 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 2qox n GLY 32 N -0.28 4.54 7.00 5.49 0.00 -1.22 0.10 105.19 120.82 2qox n GLY 32 Ca -0.07 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2qox n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qox n GLY 33 N -1.75 1.23 0.24 -0.02 0.00 -1.26 -2.84 105.19 100.77 2qox n GLY 33 Ca 0.00 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.52 2qox n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qox h LYS 34 N 0.00 0.00 -6.38 1.61 2.10 -2.01 -3.43 116.57 108.46 2qox h LYS 34 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2qox h LYS 34 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 2qox h LYS 34 CO 0.00 0.09 1.13 -1.21 -2.00 0.00 0.00 179.45 177.47 2qox s GLU 35 N -3.45 3.59 1.11 0.07 0.41 -1.13 -5.00 118.70 114.29 2qox s GLU 35 Ca 0.03 1.27 -0.13 0.00 -0.41 0.00 0.00 54.97 55.73 2qox s GLU 35 Cb 0.08 -4.06 0.22 0.00 -1.78 0.00 0.00 34.13 28.58 2qox s GLU 35 CO 0.62 -1.55 0.83 0.00 -0.49 0.00 0.00 175.26 174.67 2qox n ALA 36 N 9.04 -2.75 -0.65 5.21 0.00 -1.26 -3.42 120.51 126.68 2qox n ALA 36 Ca 0.19 -1.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.28 2qox n ALA 36 Cb 0.47 -1.94 0.16 0.00 0.00 0.00 0.00 19.45 18.14 2qox n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qox n PRO 37 N -4.14 -1.72 -3.68 0.00 -0.02 -1.26 -4.75 135.00 119.43 2qox n PRO 37 Ca 0.04 -0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 60.93 2qox n PRO 37 Cb 0.55 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 2qox n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qox s LEU 38 N -0.10 -0.27 -0.68 2.45 2.96 0.26 -4.94 118.68 118.36 2qox s LEU 38 Ca 0.49 0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 55.18 2qox s LEU 38 Cb -0.08 1.39 0.17 0.00 0.50 0.00 0.00 46.19 48.17 2qox s LEU 38 CO 0.57 -0.21 0.65 0.00 -1.32 0.00 0.00 176.35 176.04 2qox s ALA 39 N 1.73 3.81 0.50 5.97 0.00 -1.26 -1.91 121.76 130.60 2qox s ALA 39 Ca -0.08 -2.85 0.04 0.00 0.00 0.00 0.00 51.96 49.07 2qox s ALA 39 Cb -0.09 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 2qox s ALA 39 CO -0.13 -2.18 0.19 0.96 0.00 0.00 0.00 175.76 174.59 2qox s ILE 40 N 1.11 1.57 -0.11 0.00 -0.00 -1.13 -0.19 121.20 122.44 2qox s ILE 40 Ca 0.11 -1.75 -0.13 0.00 -0.00 0.00 0.00 60.65 58.88 2qox s ILE 40 Cb -0.20 -2.32 0.03 0.00 -0.00 0.00 0.00 42.46 39.96 2qox s ILE 40 CO -0.02 0.00 0.34 -1.83 -0.00 0.00 0.00 174.94 173.43 2qox s GLU 41 N -4.03 0.46 0.26 0.37 -1.05 0.58 -2.18 118.70 113.09 2qox s GLU 41 Ca 0.23 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 2qox s GLU 41 Cb 0.01 0.22 -0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2qox s GLU 41 CO 0.14 -0.07 0.01 1.28 0.95 0.00 0.00 175.26 177.56 2qox n LEU 42 N 2.61 0.00 -4.71 1.83 4.77 -1.19 -1.86 117.00 118.45 2qox n LEU 42 Ca -0.14 -1.64 -0.35 0.00 -0.03 0.00 0.00 56.01 53.84 2qox n LEU 42 Cb 0.57 0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.81 2qox n LEU 42 CO 0.16 -0.24 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.16 2qox s ASP 43 N -2.42 6.02 0.01 -1.43 -1.08 -1.26 -3.59 116.67 112.92 2qox s ASP 43 Ca 0.01 0.20 -0.11 0.00 -0.52 0.00 0.00 52.55 52.13 2qox s ASP 43 Cb 0.00 -2.04 -0.06 0.00 -1.46 0.00 0.00 42.92 39.36 2qox s ASP 43 CO 0.01 0.20 0.95 -0.74 0.52 0.00 0.00 175.17 176.11 2qox h HIS 44 N 6.53 -0.38 0.00 -5.34 -0.00 0.56 -0.27 115.15 116.25 2qox h HIS 44 Ca -0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2qox h HIS 44 Cb 1.16 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 2qox h HIS 44 CO 0.59 -0.24 0.52 -0.25 -0.00 0.00 0.00 177.93 178.55 2qox n ASP 45 N -3.35 0.17 -0.00 3.26 8.00 -1.26 -0.74 116.55 122.63 2qox n ASP 45 Ca -0.05 0.41 -0.00 0.00 0.71 0.00 0.00 54.79 55.85 2qox n ASP 45 Cb 0.16 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2qox n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qox n LYS 46 N -1.90 0.03 -0.17 -1.24 4.01 -1.14 -4.49 118.16 113.25 2qox n LYS 46 Ca -0.00 0.01 0.21 0.00 -0.51 0.00 0.00 58.31 58.02 2qox n LYS 46 Cb 0.53 -0.53 0.59 0.00 -0.51 0.00 0.00 35.03 35.12 2qox n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qox h VAL 47 N -0.05 0.68 -0.05 -0.18 2.07 -0.77 -2.29 116.25 115.65 2qox h VAL 47 Ca 0.00 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2qox h VAL 47 Cb 0.05 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 2qox h VAL 47 CO 0.00 0.04 -0.23 -0.03 0.02 0.00 0.00 177.57 177.37 2qox h MET 48 N 0.24 -0.33 -0.81 1.57 -1.53 -1.12 -1.46 114.93 111.49 2qox h MET 48 Ca 0.40 0.02 0.20 0.00 -3.44 0.00 0.00 59.70 56.89 2qox h MET 48 Cb 1.22 0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 32.30 2qox h MET 48 CO -0.09 -0.22 0.56 -0.91 0.14 0.00 0.00 176.91 176.39 2qox h ASN 49 N -0.34 0.22 -0.59 1.39 2.35 -1.63 -0.61 115.58 116.36 2qox h ASN 49 Ca 0.08 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2qox h ASN 49 Cb 0.44 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2qox h ASN 49 CO -0.24 0.09 0.04 0.24 -1.65 0.00 0.00 177.43 175.91 2qox h MET 50 N 0.22 1.02 0.00 0.81 2.86 -1.33 -2.28 114.93 116.23 2qox h MET 50 Ca 0.40 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2qox h MET 50 Cb 1.25 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.80 2qox h MET 50 CO -0.09 0.99 0.10 0.00 1.06 0.00 0.00 176.91 178.97 2qox n GLN 51 N -4.24 0.01 0.03 1.72 -0.00 -0.24 -0.53 117.38 114.13 2qox n GLN 51 Ca 0.03 0.42 -0.19 0.00 -0.00 0.00 0.00 57.00 57.26 2qox n GLN 51 Cb 0.32 -1.63 -0.13 0.00 -0.00 0.00 0.00 30.24 28.80 2qox n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qox h ALA 52 N 1.63 -0.03 -2.05 2.61 0.00 -1.48 -3.43 119.26 116.50 2qox h ALA 52 Ca 0.00 -0.64 -0.56 0.00 0.00 0.00 0.00 54.91 53.70 2qox h ALA 52 Cb 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2qox h ALA 52 CO 0.00 0.36 1.08 0.21 0.00 0.00 0.00 179.25 180.90 2qox s LYS 53 N -2.74 3.89 0.35 0.00 2.36 0.31 -4.88 119.74 119.03 2qox s LYS 53 Ca -0.13 1.64 0.15 0.00 -2.55 0.00 0.00 55.97 55.07 2qox s LYS 53 Cb 0.02 -3.98 1.05 0.00 -1.05 0.00 0.00 37.83 33.87 2qox s LYS 53 CO 0.83 -1.17 1.70 0.00 1.55 0.00 0.00 175.35 178.26 2qox h ALA 54 N 10.13 2.01 -0.10 3.13 0.00 -1.84 0.35 119.26 132.95 2qox h ALA 54 Ca -0.32 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2qox h ALA 54 Cb 1.14 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qox h ALA 54 CO 1.00 -0.55 0.10 0.93 0.00 0.00 0.00 179.25 180.73 2qox h GLU 55 N 0.40 0.00 -0.69 0.00 3.07 -1.91 -1.96 114.58 113.49 2qox h GLU 55 Ca 0.69 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.71 2qox h GLU 55 Cb 1.58 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.45 2qox h GLU 55 CO -0.50 0.00 0.48 0.35 -1.40 0.00 0.00 179.01 177.94 2qox h PHE 56 N 0.00 0.25 0.00 4.33 3.57 -0.52 -0.33 116.94 124.23 2qox h PHE 56 Ca 0.05 0.01 -0.32 0.00 3.53 0.00 0.00 57.97 61.24 2qox h PHE 56 Cb 0.25 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2qox h PHE 56 CO 0.00 0.09 -2.19 0.66 -2.23 0.00 0.00 178.31 174.64 2qox n TYR 57 N -4.42 0.00 0.00 0.41 4.02 -0.79 -4.54 117.16 111.85 2qox n TYR 57 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2qox n TYR 57 Cb 0.61 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 2qox n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qox n SER 58 N -2.64 0.00 -4.76 7.72 7.64 -0.92 -4.47 113.62 116.19 2qox n SER 58 Ca -0.28 0.41 -0.30 0.00 1.01 0.00 0.00 58.87 59.71 2qox n SER 58 Cb 1.06 -0.32 0.11 0.00 -1.01 0.00 0.00 64.21 64.05 2qox n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qox s GLU 59 N -0.95 1.92 1.08 1.43 2.12 -0.18 -4.89 118.70 119.23 2qox s GLU 59 Ca 0.00 0.98 -0.13 0.00 0.36 0.00 0.00 54.97 56.19 2qox s GLU 59 Cb 0.00 -1.87 0.24 0.00 0.26 0.00 0.00 34.13 32.75 2qox s GLU 59 CO 0.00 -1.83 1.06 0.08 -0.54 0.00 0.00 175.26 174.03 2qox s VAL 60 N -2.94 2.06 0.01 3.70 1.01 -1.26 -4.66 120.40 118.32 2qox s VAL 60 Ca 0.62 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.64 2qox s VAL 60 Cb -0.17 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2qox s VAL 60 CO 0.56 -0.03 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 2qox s LEU 61 N -6.85 2.09 -0.63 3.92 1.43 -0.45 -4.88 118.68 113.31 2qox s LEU 61 Ca 0.67 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.36 2qox s LEU 61 Cb -0.22 -0.26 0.14 0.00 0.03 0.00 0.00 46.19 45.89 2qox s LEU 61 CO 0.61 -0.02 0.63 0.42 0.23 0.00 0.00 176.35 178.23 2qox s THR 62 N -0.53 5.18 0.19 5.49 -4.23 -0.73 -0.78 115.64 120.23 2qox s THR 62 Ca -0.02 -1.59 -0.27 0.00 -1.18 0.00 0.00 61.69 58.64 2qox s THR 62 Cb -0.05 -4.42 -0.08 0.00 1.34 0.00 0.00 72.50 69.29 2qox s THR 62 CO 0.00 -1.00 0.85 -0.63 -0.54 0.00 0.00 174.62 173.30 2qox s ILE 63 N 1.61 4.25 -0.27 2.99 1.09 -1.26 0.32 121.20 129.92 2qox s ILE 63 Ca 0.10 1.87 -0.01 0.00 -1.10 0.00 0.00 60.65 61.50 2qox s ILE 63 Cb -0.23 -4.22 0.04 0.00 -1.06 0.00 0.00 42.46 36.99 2qox s ILE 63 CO 0.01 0.51 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.62 2qox s VAL 64 N -1.14 2.84 0.05 2.92 1.01 0.22 -2.59 120.40 123.70 2qox s VAL 64 Ca 0.38 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2qox s VAL 64 Cb -0.24 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2qox s VAL 64 CO 0.29 0.06 -0.00 0.68 0.00 0.00 0.00 175.10 176.12 2qox s VAL 65 N 1.27 0.19 0.00 2.92 -7.23 -1.26 -0.06 120.40 116.24 2qox s VAL 65 Ca -0.03 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2qox s VAL 65 Cb -0.18 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.46 2qox s VAL 65 CO -0.03 -0.87 0.00 -0.67 -0.31 0.00 0.00 175.10 173.21 2qox n ASP 66 N 0.34 0.00 0.00 4.85 -0.08 -1.26 -2.05 116.55 118.35 2qox n ASP 66 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2qox n ASP 66 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 2qox n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qox n GLY 67 N 0.00 0.02 0.00 0.27 0.00 -1.26 -5.10 105.19 99.11 2qox n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qox n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qox n LYS 68 N 0.00 0.00 -3.82 1.61 0.00 -0.87 -5.17 118.16 109.91 2qox n LYS 68 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2qox n LYS 68 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 2qox n LYS 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2qox s GLU 69 N 3.54 2.07 0.00 -1.58 1.03 -1.26 -4.01 118.70 118.49 2qox s GLU 69 Ca 0.00 -1.33 0.00 0.00 0.03 0.00 0.00 54.97 53.67 2qox s GLU 69 Cb 0.00 0.58 0.00 0.00 -0.80 0.00 0.00 34.13 33.91 2qox s GLU 69 CO 0.00 -0.97 0.00 0.44 -1.33 0.00 0.00 175.26 173.40 2qox n ILE 70 N -0.56 0.00 -2.79 1.83 -0.00 -1.07 -4.91 119.36 111.86 2qox n ILE 70 Ca -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.64 2qox n ILE 70 Cb 0.60 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.20 2qox n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qox n LYS 71 N -1.51 -3.33 -4.34 6.28 5.02 -1.25 -4.59 118.16 114.44 2qox n LYS 71 Ca 0.00 2.61 -0.19 0.00 -2.02 0.00 0.00 58.31 58.71 2qox n LYS 71 Cb 0.00 -3.50 -0.09 0.00 -0.02 0.00 0.00 35.03 31.42 2qox n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qox s VAL 72 N -0.48 0.26 0.37 -0.18 -7.23 0.04 -3.49 120.40 109.69 2qox s VAL 72 Ca -0.17 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.85 2qox s VAL 72 Cb 0.01 -2.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.38 2qox s VAL 72 CO 0.50 0.00 0.78 -0.54 -0.31 0.00 0.00 175.10 175.53 2qox s LYS 73 N -3.73 3.95 -0.65 4.82 -0.14 -0.93 -1.34 119.74 121.72 2qox s LYS 73 Ca 0.36 0.67 -0.22 0.00 -1.36 0.00 0.00 55.97 55.42 2qox s LYS 73 Cb 0.04 -2.37 0.08 0.00 -1.68 0.00 0.00 37.83 33.90 2qox s LYS 73 CO 0.19 0.05 0.92 0.00 -0.76 0.00 0.00 175.35 175.76 2qox s ALA 74 N -2.17 3.17 0.00 5.17 0.00 -1.26 -2.19 121.76 124.48 2qox s ALA 74 Ca 0.54 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2qox s ALA 74 Cb -0.10 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2qox s ALA 74 CO 0.22 -2.71 0.00 1.04 0.00 0.00 0.00 175.76 174.31 2qox n GLN 75 N 7.44 0.00 -2.65 0.00 1.13 -1.18 -4.86 117.38 117.26 2qox n GLN 75 Ca -0.04 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.72 2qox n GLN 75 Cb 0.45 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.78 2qox n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qox s ASP 76 N -1.58 6.46 -0.05 1.08 3.68 -1.26 -4.85 116.67 120.15 2qox s ASP 76 Ca 0.00 1.18 0.02 0.00 2.13 0.00 0.00 52.55 55.88 2qox s ASP 76 Cb 0.00 -2.35 0.01 0.00 -1.45 0.00 0.00 42.92 39.13 2qox s ASP 76 CO 0.00 -0.51 -0.10 0.54 0.13 0.00 0.00 175.17 175.23 2qox s VAL 77 N -2.56 0.94 -0.51 1.11 0.11 -1.26 -0.68 120.40 117.55 2qox s VAL 77 Ca 0.52 -0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 59.07 2qox s VAL 77 Cb -0.10 -0.86 0.13 0.00 -1.53 0.00 0.00 36.38 34.02 2qox s VAL 77 CO 0.36 0.30 0.41 -1.10 -3.33 0.00 0.00 175.10 171.74 2qox s GLN 78 N 0.53 2.67 0.57 1.54 -0.21 0.18 -5.00 119.66 119.94 2qox s GLN 78 Ca -0.10 -1.83 -0.04 0.00 0.02 0.00 0.00 55.36 53.41 2qox s GLN 78 Cb -0.13 -4.04 0.01 0.00 1.00 0.00 0.00 33.01 29.85 2qox s GLN 78 CO 0.02 -1.23 0.85 -0.98 -2.12 0.00 0.00 175.29 171.83 2qox s ARG 79 N 1.29 2.89 0.43 2.91 1.70 -1.26 -1.18 118.95 125.73 2qox s ARG 79 Ca 0.06 -0.16 -0.24 0.00 -0.47 0.00 0.00 55.73 54.92 2qox s ARG 79 Cb -0.26 -2.34 -0.08 0.00 -0.57 0.00 0.00 34.95 31.71 2qox s ARG 79 CO -0.00 -0.64 1.18 -1.58 -1.08 0.00 0.00 175.30 173.18 2qox s HIS 80 N -2.90 2.93 0.53 5.89 5.65 0.71 -4.82 115.29 123.28 2qox s HIS 80 Ca 0.53 1.53 0.27 0.00 0.25 0.00 0.00 55.06 57.65 2qox s HIS 80 Cb -0.10 -3.42 1.42 0.00 -1.18 0.00 0.00 32.58 29.30 2qox s HIS 80 CO 0.43 -1.51 1.96 -1.35 -0.65 0.00 0.00 174.74 173.63 2qox h PRO 81 N 2.32 0.01 0.00 2.88 0.11 -1.97 -3.37 132.00 131.97 2qox h PRO 81 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qox h PRO 81 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qox h PRO 81 CO 0.61 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.89 2qox n TYR 82 N -4.34 0.00 -3.18 0.65 -0.00 -1.26 -5.10 117.16 103.93 2qox n TYR 82 Ca 0.13 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.64 2qox n TYR 82 Cb 0.73 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 40.02 2qox n TYR 82 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2qox s LYS 83 N 0.00 4.34 -0.47 -3.48 1.02 -1.26 -4.95 119.74 114.94 2qox s LYS 83 Ca 0.00 0.63 -0.25 0.00 0.02 0.00 0.00 55.97 56.37 2qox s LYS 83 Cb 0.00 -3.47 -0.27 0.00 -0.52 0.00 0.00 37.83 33.57 2qox s LYS 83 CO 0.00 0.03 1.70 -2.30 -0.92 0.00 0.00 175.35 173.86 2qox n PRO 84 N 4.04 0.04 -3.57 -1.68 -0.02 -1.26 -4.23 135.00 128.31 2qox n PRO 84 Ca -0.04 -1.16 -0.07 0.00 -2.02 0.00 0.00 63.50 60.21 2qox n PRO 84 Cb 0.51 -2.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.04 2qox n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qox s LYS 85 N 7.26 0.47 0.46 -0.52 -2.85 -1.26 -5.07 119.74 118.23 2qox s LYS 85 Ca 0.65 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 2qox s LYS 85 Cb 0.04 0.22 0.09 0.00 -2.06 0.00 0.00 37.83 36.12 2qox s LYS 85 CO 0.23 -0.19 0.64 1.28 0.10 0.00 0.00 175.35 177.41 2qox n LEU 86 N 0.17 0.00 0.13 2.77 4.77 -1.26 -0.20 117.00 123.38 2qox n LEU 86 Ca -0.05 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2qox n LEU 86 Cb 0.59 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2qox n LEU 86 CO 0.11 -0.80 0.00 0.00 -1.33 0.00 0.00 177.39 175.37 2qox n GLN 87 N -2.16 0.00 -4.06 3.23 6.02 -0.33 -4.63 117.38 115.44 2qox n GLN 87 Ca 0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.95 2qox n GLN 87 Cb 0.38 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.50 2qox n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qox s HIS 88 N -1.78 0.31 0.03 1.08 5.65 -1.17 -3.21 115.29 116.20 2qox s HIS 88 Ca 0.00 -0.06 -0.00 0.00 0.25 0.00 0.00 55.06 55.25 2qox s HIS 88 Cb 0.00 -0.20 -0.03 0.00 -1.18 0.00 0.00 32.58 31.17 2qox s HIS 88 CO 0.00 -0.01 -0.03 0.96 -0.65 0.00 0.00 174.74 175.01 2qox s ILE 89 N -0.08 0.18 0.40 0.89 -5.25 -1.25 0.51 121.20 116.60 2qox s ILE 89 Ca 0.01 -1.26 0.08 0.00 -0.99 0.00 0.00 60.65 58.49 2qox s ILE 89 Cb -0.01 -0.75 -0.00 0.00 2.95 0.00 0.00 42.46 44.65 2qox s ILE 89 CO -0.00 -0.68 0.50 -1.81 -1.79 0.00 0.00 174.94 171.16 2qox s ASP 90 N -2.01 5.53 -0.22 4.36 1.11 0.15 -2.53 116.67 123.06 2qox s ASP 90 Ca -0.07 -0.47 -0.19 0.00 0.18 0.00 0.00 52.55 52.00 2qox s ASP 90 Cb -0.03 -0.73 0.06 0.00 1.07 0.00 0.00 42.92 43.28 2qox s ASP 90 CO -0.04 -0.67 0.57 -0.36 1.18 0.00 0.00 175.17 175.85 2qox s PHE 91 N -2.35 -0.66 -0.31 4.23 2.99 -1.14 -3.12 117.98 117.63 2qox s PHE 91 Ca 0.51 1.56 -0.03 0.00 0.00 0.00 0.00 56.93 58.97 2qox s PHE 91 Cb -0.08 0.25 0.05 0.00 0.00 0.00 0.00 43.02 43.23 2qox s PHE 91 CO 0.31 -0.32 0.02 0.08 -0.00 0.00 0.00 175.22 175.31 2qox s VAL 92 N 0.46 3.18 -0.32 -0.44 1.01 -0.93 -2.08 120.40 121.29 2qox s VAL 92 Ca -0.01 -1.29 -0.38 0.00 0.00 0.00 0.00 61.98 60.29 2qox s VAL 92 Cb -0.04 -2.81 -0.14 0.00 0.00 0.00 0.00 36.38 33.39 2qox s VAL 92 CO -0.01 -0.10 1.99 0.54 0.00 0.00 0.00 175.10 177.52 2qox n ARG 93 N 4.67 1.08 0.00 2.72 1.74 0.11 -2.19 116.66 124.79 2qox n ARG 93 Ca -0.13 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2qox n ARG 93 Cb 0.44 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 2qox n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11