#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qox s TYR 2 N 0.00 2.42 -0.39 2.03 1.51 -1.26 -4.09 117.35 117.57 2qox s TYR 2 Ca 0.00 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2qox s TYR 2 Cb 0.00 -1.24 0.18 0.00 -0.11 0.00 0.00 41.96 40.79 2qox s TYR 2 CO 0.00 0.44 0.75 0.00 -1.11 0.00 0.00 175.55 175.63 2qox s ALA 3 N -1.44 -2.92 -1.02 3.71 0.00 -0.78 -3.52 121.76 115.79 2qox s ALA 3 Ca 0.20 0.45 -0.20 0.00 0.00 0.00 0.00 51.96 52.41 2qox s ALA 3 Cb -0.09 -2.81 0.10 0.00 0.00 0.00 0.00 23.12 20.32 2qox s ALA 3 CO 0.10 -2.30 1.32 0.14 0.00 0.00 0.00 175.76 175.03 2qox s VAL 4 N 1.80 4.41 0.35 0.00 -7.23 -1.18 -3.44 120.40 115.12 2qox s VAL 4 Ca 0.17 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 2qox s VAL 4 Cb -0.02 -4.93 -0.03 0.00 0.56 0.00 0.00 36.38 31.96 2qox s VAL 4 CO -0.09 -1.72 0.24 0.72 -0.31 0.00 0.00 175.10 173.95 2qox s PHE 5 N 3.54 2.80 -0.55 2.82 -0.71 -1.25 -0.47 117.98 124.15 2qox s PHE 5 Ca 0.40 -0.37 -0.20 0.00 -1.04 0.00 0.00 56.93 55.72 2qox s PHE 5 Cb -0.02 -1.80 0.07 0.00 -1.21 0.00 0.00 43.02 40.06 2qox s PHE 5 CO -0.07 0.20 0.73 -1.14 -1.34 0.00 0.00 175.22 173.59 2qox s GLN 6 N -3.96 3.13 0.00 1.99 2.00 -1.26 -3.68 119.66 117.89 2qox s GLN 6 Ca 0.41 -0.89 0.00 0.00 -2.00 0.00 0.00 55.36 52.88 2qox s GLN 6 Cb -0.04 -4.14 0.00 0.00 0.80 0.00 0.00 33.01 29.63 2qox s GLN 6 CO 0.25 -1.40 0.00 -1.13 -0.50 0.00 0.00 175.29 172.51 2qox n SER 7 N 6.56 0.00 0.31 6.67 3.41 0.10 -4.90 113.62 125.78 2qox n SER 7 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 2qox n SER 7 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2qox n SER 7 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qox h GLY 8 N 0.00 -0.84 -0.13 5.00 0.00 -1.92 -3.41 103.07 101.76 2qox h GLY 8 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2qox h GLY 8 CO 0.00 -0.31 -0.06 0.61 0.00 0.00 0.00 176.54 176.78 2qox n GLY 9 N -0.75 -2.17 3.60 4.60 0.00 -1.26 -5.01 105.19 104.20 2qox n GLY 9 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2qox n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qox s LYS 10 N 0.00 2.05 0.00 1.61 3.01 -1.26 -5.16 119.74 120.00 2qox s LYS 10 Ca 0.00 -2.28 0.03 0.00 -1.01 0.00 0.00 55.97 52.70 2qox s LYS 10 Cb 0.00 -0.88 -0.01 0.00 -1.01 0.00 0.00 37.83 35.93 2qox s LYS 10 CO 0.00 -0.48 -0.08 -0.65 0.51 0.00 0.00 175.35 174.65 2qox s GLN 11 N -3.74 0.64 0.03 1.68 -0.21 -1.26 0.02 119.66 116.82 2qox s GLN 11 Ca 0.16 -0.35 -0.00 0.00 0.02 0.00 0.00 55.36 55.19 2qox s GLN 11 Cb 0.01 -0.61 -0.03 0.00 1.00 0.00 0.00 33.01 33.39 2qox s GLN 11 CO 0.11 0.16 -0.03 -1.01 -2.12 0.00 0.00 175.29 172.40 2qox s HIS 12 N -0.33 0.35 -0.91 0.91 3.76 -1.24 -5.00 115.29 112.83 2qox s HIS 12 Ca 0.02 -0.66 -0.17 0.00 -0.15 0.00 0.00 55.06 54.10 2qox s HIS 12 Cb -0.04 -0.25 0.15 0.00 1.11 0.00 0.00 32.58 33.55 2qox s HIS 12 CO -0.00 -0.23 1.05 0.50 -0.85 0.00 0.00 174.74 175.21 2qox s ARG 13 N -2.05 3.62 0.35 1.40 3.52 -1.26 -3.90 118.95 120.62 2qox s ARG 13 Ca -0.10 -1.96 0.08 0.00 -0.13 0.00 0.00 55.73 53.62 2qox s ARG 13 Cb -0.06 -4.80 -0.04 0.00 -1.56 0.00 0.00 34.95 28.49 2qox s ARG 13 CO -0.03 -1.65 0.19 0.54 -0.81 0.00 0.00 175.30 173.53 2qox s VAL 14 N 2.03 3.04 0.03 7.11 0.11 -1.22 -4.87 120.40 126.63 2qox s VAL 14 Ca 0.29 -1.61 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 2qox s VAL 14 Cb -0.06 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 2qox s VAL 14 CO -0.09 -0.16 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.55 2qox s SER 15 N -3.89 0.37 -0.81 3.54 1.04 -1.26 -1.87 113.70 110.82 2qox s SER 15 Ca 0.39 -0.60 -0.23 0.00 0.48 0.00 0.00 55.95 56.00 2qox s SER 15 Cb -0.03 0.11 -0.17 0.00 0.10 0.00 0.00 66.02 66.03 2qox s SER 15 CO 0.24 -0.34 2.38 -1.84 0.98 0.00 0.00 173.24 174.65 2qox n GLU 16 N 1.31 0.48 0.00 4.02 0.28 -1.26 -1.82 120.64 123.66 2qox n GLU 16 Ca -0.22 -0.60 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 2qox n GLU 16 Cb 0.56 -3.12 0.00 0.00 1.43 0.00 0.00 31.44 30.31 2qox n GLU 16 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qox n GLY 17 N 6.49 2.13 3.55 -1.84 0.00 -1.23 -4.88 105.19 109.41 2qox n GLY 17 Ca 0.51 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2qox n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qox s GLN 18 N 0.00 2.70 0.13 1.61 -2.07 -0.76 -4.89 119.66 116.39 2qox s GLN 18 Ca 0.00 0.09 -0.31 0.00 -1.82 0.00 0.00 55.36 53.32 2qox s GLN 18 Cb 0.00 -4.69 -0.09 0.00 -1.09 0.00 0.00 33.01 27.14 2qox s GLN 18 CO 0.00 -2.90 1.61 -0.08 -1.32 0.00 0.00 175.29 172.60 2qox s THR 19 N 8.95 2.75 0.40 3.63 -1.32 -1.26 -4.62 115.64 124.18 2qox s THR 19 Ca 0.64 0.44 0.04 0.00 -1.21 0.00 0.00 61.69 61.60 2qox s THR 19 Cb -0.09 -3.28 -0.05 0.00 -1.51 0.00 0.00 72.50 67.57 2qox s THR 19 CO 0.10 0.02 0.05 -0.69 -2.21 0.00 0.00 174.62 171.89 2qox s VAL 20 N 1.71 1.26 0.22 5.08 1.01 -0.38 -4.95 120.40 124.36 2qox s VAL 20 Ca 0.72 -2.00 0.10 0.00 0.00 0.00 0.00 61.98 60.80 2qox s VAL 20 Cb -0.43 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2qox s VAL 20 CO 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 175.10 175.23 2qox s ARG 21 N -3.81 1.47 0.27 2.72 1.70 -1.26 -1.33 118.95 118.72 2qox s ARG 21 Ca 0.28 -1.60 -0.13 0.00 -0.47 0.00 0.00 55.73 53.81 2qox s ARG 21 Cb 0.06 -1.54 0.00 0.00 -0.57 0.00 0.00 34.95 32.91 2qox s ARG 21 CO 0.13 0.30 0.52 -0.48 -1.08 0.00 0.00 175.30 174.69 2qox s LEU 22 N -3.10 0.33 -0.60 -1.89 2.34 -0.91 -5.01 118.68 109.84 2qox s LEU 22 Ca 0.23 -0.98 -0.28 0.00 0.06 0.00 0.00 54.13 53.16 2qox s LEU 22 Cb -0.05 1.89 -0.11 0.00 -0.56 0.00 0.00 46.19 47.36 2qox s LEU 22 CO 0.10 -1.21 2.46 -0.62 -1.06 0.00 0.00 176.35 176.02 2qox n GLU 23 N -0.42 0.81 -0.13 1.48 -0.58 -1.26 -1.63 120.64 118.91 2qox n GLU 23 Ca -0.02 0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.72 2qox n GLU 23 Cb 0.61 -2.85 -0.01 0.00 -0.57 0.00 0.00 31.44 28.62 2qox n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qox n LYS 24 N 8.79 0.00 -3.88 3.49 0.00 -1.26 -4.59 118.16 120.72 2qox n LYS 24 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 58.43 2qox n LYS 24 Cb 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 35.03 35.22 2qox n LYS 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2qox s LEU 25 N 0.70 4.36 -0.18 3.14 2.01 -1.26 -4.89 118.68 122.56 2qox s LEU 25 Ca 0.12 0.38 -0.29 0.00 0.01 0.00 0.00 54.13 54.34 2qox s LEU 25 Cb -0.13 -2.72 -0.03 0.00 0.01 0.00 0.00 46.19 43.32 2qox s LEU 25 CO 0.05 0.24 1.61 -0.62 1.01 0.00 0.00 176.35 178.64 2qox s ASP 26 N -2.03 6.46 -0.21 2.29 -1.08 -1.26 -4.95 116.67 115.90 2qox s ASP 26 Ca 0.29 1.76 -0.29 0.00 -0.52 0.00 0.00 52.55 53.79 2qox s ASP 26 Cb -0.13 -2.53 0.14 0.00 -1.46 0.00 0.00 42.92 38.94 2qox s ASP 26 CO 0.20 -1.17 1.10 -0.63 0.52 0.00 0.00 175.17 175.20 2qox s ILE 27 N 4.90 0.00 0.98 4.11 -1.09 -1.26 -5.16 121.20 123.68 2qox s ILE 27 Ca 0.71 0.00 -0.15 0.00 -2.23 0.00 0.00 60.65 58.98 2qox s ILE 27 Cb -0.27 -1.00 -0.01 0.00 -1.58 0.00 0.00 42.46 39.61 2qox s ILE 27 CO 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 174.94 174.00 2qox n ALA 28 N 0.94 -3.58 0.04 9.38 0.00 -1.26 -4.88 120.51 121.15 2qox n ALA 28 Ca -0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.60 2qox n ALA 28 Cb 0.58 -1.58 0.23 0.00 0.00 0.00 0.00 19.45 18.68 2qox n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qox h THR 29 N -1.46 1.26 -2.19 0.00 2.02 -2.00 -3.33 112.91 107.20 2qox h THR 29 Ca -0.44 -1.23 -0.57 0.00 0.77 0.00 0.00 66.41 64.94 2qox h THR 29 Cb 1.30 1.37 -0.41 0.00 -1.74 0.00 0.00 68.15 68.67 2qox h THR 29 CO 0.32 0.39 -0.78 0.61 0.37 0.00 0.00 175.52 176.42 2qox n GLY 30 N -0.43 4.81 3.30 2.16 0.00 -1.26 -3.71 105.19 110.07 2qox n GLY 30 Ca -0.01 -2.47 -0.18 0.00 0.00 0.00 0.00 46.02 43.37 2qox n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qox s GLU 31 N -2.85 1.20 -0.01 1.61 2.02 -1.25 -4.95 118.70 114.46 2qox s GLU 31 Ca 0.44 -1.45 -0.00 0.00 0.02 0.00 0.00 54.97 53.98 2qox s GLU 31 Cb 0.25 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 2qox s GLU 31 CO -0.10 0.18 0.05 0.99 0.02 0.00 0.00 175.26 176.40 2qox s THR 32 N -2.66 4.53 0.06 3.63 2.01 -1.26 -1.33 115.64 120.62 2qox s THR 32 Ca 0.17 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.77 2qox s THR 32 Cb -0.02 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2qox s THR 32 CO 0.05 0.39 -0.10 0.68 -0.69 0.00 0.00 174.62 174.95 2qox s VAL 33 N -1.13 0.75 -0.04 3.82 -7.23 0.25 -4.93 120.40 111.90 2qox s VAL 33 Ca 0.21 -1.21 0.06 0.00 -1.81 0.00 0.00 61.98 59.23 2qox s VAL 33 Cb -0.12 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 2qox s VAL 33 CO 0.11 -0.35 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.72 2qox s GLU 34 N -1.76 2.34 -0.17 4.82 2.02 -1.26 -0.52 118.70 124.17 2qox s GLU 34 Ca -0.06 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.09 2qox s GLU 34 Cb -0.09 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 31.99 2qox s GLU 34 CO 0.01 0.54 -0.10 -0.06 0.02 0.00 0.00 175.26 175.68 2qox s PHE 35 N -0.56 2.07 -0.74 1.61 0.08 -0.31 -4.79 117.98 115.35 2qox s PHE 35 Ca 0.08 -1.28 0.13 0.00 0.12 0.00 0.00 56.93 55.97 2qox s PHE 35 Cb -0.11 -1.50 0.39 0.00 -0.57 0.00 0.00 43.02 41.23 2qox s PHE 35 CO 0.00 -0.67 1.32 0.00 -0.10 0.00 0.00 175.22 175.77 2qox n ALA 36 N 4.78 2.44 0.68 5.36 0.00 -1.26 0.11 120.51 132.62 2qox n ALA 36 Ca -0.14 -1.48 0.02 0.00 0.00 0.00 0.00 53.44 51.83 2qox n ALA 36 Cb 0.48 -0.54 0.08 0.00 0.00 0.00 0.00 19.45 19.48 2qox n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qox n GLU 37 N 0.26 1.78 -2.11 0.00 4.71 -1.26 -4.38 120.64 119.64 2qox n GLU 37 Ca 0.15 -0.65 -0.42 0.00 -0.01 0.00 0.00 57.16 56.23 2qox n GLU 37 Cb 0.57 -1.62 -0.03 0.00 -1.01 0.00 0.00 31.44 29.36 2qox n GLU 37 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2qox s VAL 38 N -1.40 3.75 -1.71 2.62 0.11 -1.26 -4.28 120.40 118.23 2qox s VAL 38 Ca 0.11 0.90 0.10 0.00 -2.93 0.00 0.00 61.98 60.15 2qox s VAL 38 Cb 0.08 -3.60 0.32 0.00 -1.53 0.00 0.00 36.38 31.65 2qox s VAL 38 CO 0.04 -0.10 1.21 0.00 -3.33 0.00 0.00 175.10 172.91 2qox n LEU 39 N 7.18 2.11 -3.65 2.54 -0.00 0.38 -0.82 117.00 124.74 2qox n LEU 39 Ca 0.17 -1.06 -0.01 0.00 -0.00 0.00 0.00 56.01 55.10 2qox n LEU 39 Cb 0.43 -0.30 -0.07 0.00 -0.00 0.00 0.00 43.42 43.48 2qox n LEU 39 CO 0.61 0.45 1.16 -0.32 -0.00 0.00 0.00 177.39 179.29 2qox s MET 40 N -1.60 0.03 0.13 1.47 0.00 -1.26 -2.81 119.30 115.25 2qox s MET 40 Ca 0.23 0.04 0.08 0.00 0.00 0.00 0.00 55.69 56.04 2qox s MET 40 Cb 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 34.83 34.94 2qox s MET 40 CO 0.14 -0.00 -0.20 0.96 0.00 0.00 0.00 175.02 175.91 2qox s ILE 41 N 0.19 1.77 0.00 10.11 -0.00 -1.26 -3.10 121.20 128.92 2qox s ILE 41 Ca 0.05 -1.70 0.00 0.00 -0.00 0.00 0.00 60.65 59.00 2qox s ILE 41 Cb -0.04 -1.69 0.00 0.00 -0.00 0.00 0.00 42.46 40.73 2qox s ILE 41 CO -0.15 -0.16 0.26 0.00 -0.00 0.00 0.00 174.94 174.90 2qox n ALA 42 N 0.76 0.00 -0.18 2.27 0.00 -1.23 -3.19 120.51 118.94 2qox n ALA 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2qox n ALA 42 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2qox n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qox n ASN 43 N -0.38 -0.25 0.06 0.00 6.94 -1.26 -3.65 115.26 116.72 2qox n ASN 43 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 2qox n ASN 43 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2qox n ASN 43 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2qox h GLY 44 N 0.00 -0.17 -7.21 4.83 0.00 -2.07 -3.44 103.07 95.02 2qox h GLY 44 Ca 0.00 0.06 -0.67 0.00 0.00 0.00 0.00 47.33 46.72 2qox h GLY 44 CO 0.00 -0.06 -0.68 -0.54 0.00 0.00 0.00 176.54 175.26 2qox s GLU 45 N -2.39 3.10 0.06 4.80 0.41 -1.26 -5.06 118.70 118.35 2qox s GLU 45 Ca -0.02 -0.83 -0.24 0.00 -0.41 0.00 0.00 54.97 53.46 2qox s GLU 45 Cb 0.00 -3.19 -0.13 0.00 -1.78 0.00 0.00 34.13 29.03 2qox s GLU 45 CO 0.07 -0.37 0.58 -0.85 -0.49 0.00 0.00 175.26 174.21 2qox n GLU 46 N 4.80 0.00 -1.08 1.61 0.28 -1.24 -4.84 120.64 120.17 2qox n GLU 46 Ca -0.16 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.68 2qox n GLU 46 Cb 0.48 -0.90 0.19 0.00 1.43 0.00 0.00 31.44 32.64 2qox n GLU 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2qox n VAL 47 N 0.60 2.97 -1.34 3.84 0.31 -1.19 -4.99 118.33 118.52 2qox n VAL 47 Ca 0.13 -2.23 -0.54 0.00 -0.01 0.00 0.00 64.34 61.69 2qox n VAL 47 Cb 0.11 -0.41 -0.11 0.00 -0.91 0.00 0.00 33.84 32.52 2qox n VAL 47 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2qox n LYS 48 N -1.13 0.32 -2.38 5.55 -0.00 -1.26 -4.66 118.16 114.60 2qox n LYS 48 Ca 0.50 0.08 -0.41 0.00 -0.00 0.00 0.00 58.31 58.48 2qox n LYS 48 Cb 1.44 -1.82 -0.04 0.00 -0.00 0.00 0.00 35.03 34.62 2qox n LYS 48 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2qox s ILE 49 N 6.91 3.40 -2.20 0.58 -5.25 -1.12 -4.92 121.20 118.60 2qox s ILE 49 Ca 1.19 1.31 0.20 0.00 -0.99 0.00 0.00 60.65 62.36 2qox s ILE 49 Cb -1.26 -3.84 0.48 0.00 2.95 0.00 0.00 42.46 40.80 2qox s ILE 49 CO 0.58 0.27 1.60 0.61 -1.79 0.00 0.00 174.94 176.22 2qox n GLY 50 N 1.51 -0.09 3.14 6.27 0.00 -1.26 -4.82 105.19 109.93 2qox n GLY 50 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 2qox n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qox s VAL 51 N -1.86 0.38 -0.53 1.61 -7.23 -1.26 -5.07 120.40 106.44 2qox s VAL 51 Ca 0.31 -1.88 -0.26 0.00 -1.81 0.00 0.00 61.98 58.34 2qox s VAL 51 Cb 0.16 -1.71 -0.14 0.00 0.56 0.00 0.00 36.38 35.25 2qox s VAL 51 CO 0.25 -0.82 1.70 -2.65 -0.31 0.00 0.00 175.10 173.26 2qox n PRO 52 N -0.00 0.00 0.00 4.82 -0.02 -1.26 -4.58 135.00 133.95 2qox n PRO 52 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2qox n PRO 52 Cb 0.62 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 2qox n PRO 52 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2qox n PHE 53 N 6.32 -0.29 -4.12 6.00 -1.74 -1.26 -4.60 117.46 117.77 2qox n PHE 53 Ca 0.42 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.97 2qox n PHE 53 Cb -0.00 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 40.90 2qox n PHE 53 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2qox s VAL 54 N 0.00 4.56 0.00 1.97 0.11 0.00 -4.75 120.40 122.29 2qox s VAL 54 Ca 0.00 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2qox s VAL 54 Cb 0.00 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2qox s VAL 54 CO 0.00 0.48 0.45 -0.90 -3.33 0.00 0.00 175.10 171.80 2qox n ASP 55 N 3.43 0.00 -3.08 3.54 3.85 -1.26 -4.72 116.55 118.30 2qox n ASP 55 Ca -0.17 0.45 -0.16 0.00 -0.71 0.00 0.00 54.79 54.20 2qox n ASP 55 Cb 0.52 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.43 2qox n ASP 55 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qox n GLY 56 N -0.75 -2.77 0.98 6.12 0.00 -1.26 -4.91 105.19 102.59 2qox n GLY 56 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2qox n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qox n GLY 57 N -1.66 -4.14 0.00 -0.02 0.00 0.76 -4.84 105.19 95.29 2qox n GLY 57 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2qox n GLY 57 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qox n VAL 58 N -0.34 0.00 -3.44 1.61 3.14 -1.25 -4.46 118.33 113.58 2qox n VAL 58 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 2qox n VAL 58 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 2qox n VAL 58 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qox s ILE 59 N -1.22 -0.29 0.51 1.55 1.01 0.12 -2.25 121.20 120.63 2qox s ILE 59 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 2qox s ILE 59 Cb 0.00 -0.98 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 2qox s ILE 59 CO 0.00 -0.56 1.17 -0.54 0.00 0.00 0.00 174.94 175.01 2qox s LYS 60 N 2.23 3.47 -0.29 2.79 -0.14 -1.26 -1.17 119.74 125.37 2qox s LYS 60 Ca 0.10 1.76 -0.23 0.00 -1.36 0.00 0.00 55.97 56.24 2qox s LYS 60 Cb -0.15 -2.19 0.14 0.00 -1.68 0.00 0.00 37.83 33.95 2qox s LYS 60 CO -0.33 -0.79 1.07 0.00 -0.76 0.00 0.00 175.35 174.55 2qox s ALA 61 N -1.61 -2.08 0.03 5.17 0.00 0.32 -0.30 121.76 123.30 2qox s ALA 61 Ca 0.69 1.93 -0.00 0.00 0.00 0.00 0.00 51.96 54.57 2qox s ALA 61 Cb -0.28 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2qox s ALA 61 CO 0.33 -0.24 0.16 -2.00 0.00 0.00 0.00 175.76 174.01 2qox s GLU 62 N 0.46 3.30 -0.37 0.00 2.56 -1.26 0.87 118.70 124.26 2qox s GLU 62 Ca 0.01 -0.45 -0.29 0.00 0.00 0.00 0.00 54.97 54.24 2qox s GLU 62 Cb -0.05 -2.98 0.02 0.00 2.00 0.00 0.00 34.13 33.12 2qox s GLU 62 CO -0.09 0.63 1.10 0.14 -0.56 0.00 0.00 175.26 176.48 2qox s VAL 63 N -1.39 4.40 -0.20 3.70 -7.23 -0.44 -2.52 120.40 116.72 2qox s VAL 63 Ca 0.30 1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 61.98 2qox s VAL 63 Cb -0.13 -4.47 -0.10 0.00 0.56 0.00 0.00 36.38 32.24 2qox s VAL 63 CO 0.22 -0.65 3.13 0.52 -0.31 0.00 0.00 175.10 178.01 2qox n VAL 64 N 6.20 3.07 -0.63 1.32 0.31 -0.36 -4.42 118.33 123.83 2qox n VAL 64 Ca 0.12 -2.06 0.00 0.00 -0.01 0.00 0.00 64.34 62.39 2qox n VAL 64 Cb 0.48 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2qox n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qox n ALA 65 N 1.70 -1.63 -1.06 3.52 0.00 -1.24 -4.63 120.51 117.15 2qox n ALA 65 Ca 0.43 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.99 2qox n ALA 65 Cb 0.74 -0.86 0.07 0.00 0.00 0.00 0.00 19.45 19.40 2qox n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qox n HIS 66 N -1.03 -3.39 0.00 0.00 8.25 -1.26 -3.42 115.22 114.37 2qox n HIS 66 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2qox n HIS 66 Cb 0.01 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.79 2qox n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qox n GLY 67 N 0.64 1.39 3.07 -1.41 0.00 -0.16 -4.88 105.19 103.83 2qox n GLY 67 Ca 0.05 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2qox n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qox s ARG 68 N -2.00 2.59 1.09 1.61 0.52 -1.26 -1.06 118.95 120.45 2qox s ARG 68 Ca 0.00 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.35 2qox s ARG 68 Cb 0.00 -2.28 0.13 0.00 0.52 0.00 0.00 34.95 33.32 2qox s ARG 68 CO 0.00 -0.19 0.06 0.41 0.02 0.00 0.00 175.30 175.59 2qox n GLY 69 N 4.61 -2.58 0.00 -3.53 0.00 -1.14 -4.98 105.19 97.57 2qox n GLY 69 Ca -0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2qox n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qox n GLU 70 N -1.90 0.83 -3.62 1.61 -0.00 -1.26 -4.71 120.64 111.59 2qox n GLU 70 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 56.89 2qox n GLU 70 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.94 2qox n GLU 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2qox s LYS 71 N -0.19 3.59 -0.33 3.44 2.47 -1.26 -4.34 119.74 123.12 2qox s LYS 71 Ca 0.00 -0.16 0.02 0.00 -1.56 0.00 0.00 55.97 54.28 2qox s LYS 71 Cb 0.00 -2.81 0.15 0.00 -1.46 0.00 0.00 37.83 33.72 2qox s LYS 71 CO 0.00 0.40 0.38 0.14 0.16 0.00 0.00 175.35 176.43 2qox s VAL 72 N -1.81 -0.48 0.26 4.02 -7.23 -0.77 -4.99 120.40 109.40 2qox s VAL 72 Ca 0.41 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.68 2qox s VAL 72 Cb -0.11 -0.80 -0.10 0.00 0.56 0.00 0.00 36.38 35.92 2qox s VAL 72 CO 0.27 -0.43 1.41 -0.54 -0.31 0.00 0.00 175.10 175.49 2qox s LYS 73 N 2.02 4.29 -0.13 4.82 -0.14 -1.26 -2.35 119.74 126.99 2qox s LYS 73 Ca 0.13 2.26 0.02 0.00 -1.36 0.00 0.00 55.97 57.02 2qox s LYS 73 Cb -0.13 -3.11 -0.00 0.00 -1.68 0.00 0.00 37.83 32.90 2qox s LYS 73 CO -0.19 -0.37 -0.19 0.42 -0.76 0.00 0.00 175.35 174.26 2qox s ILE 74 N -0.16 2.42 0.27 2.17 1.01 0.23 -4.97 121.20 122.17 2qox s ILE 74 Ca 0.57 -0.87 0.11 0.00 0.00 0.00 0.00 60.65 60.47 2qox s ILE 74 Cb -0.41 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 2qox s ILE 74 CO 0.44 0.54 -0.14 -0.69 0.00 0.00 0.00 174.94 175.09 2qox s VAL 75 N 0.59 2.77 -0.29 2.92 1.01 -1.26 -1.04 120.40 125.10 2qox s VAL 75 Ca -0.11 -2.23 0.02 0.00 0.00 0.00 0.00 61.98 59.67 2qox s VAL 75 Cb -0.16 -2.46 0.18 0.00 0.00 0.00 0.00 36.38 33.95 2qox s VAL 75 CO 0.03 -0.37 0.54 -0.54 0.00 0.00 0.00 175.10 174.76 2qox s LYS 76 N -3.50 0.51 0.16 2.72 1.02 -0.58 -4.96 119.74 115.11 2qox s LYS 76 Ca 0.30 0.60 0.09 0.00 0.02 0.00 0.00 55.97 56.98 2qox s LYS 76 Cb -0.06 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2qox s LYS 76 CO 0.16 -0.88 -0.13 0.12 -0.92 0.00 0.00 175.35 173.71 2qox s PHE 77 N 2.76 2.60 -0.44 3.18 2.19 -1.26 -1.36 117.98 125.65 2qox s PHE 77 Ca 0.13 -0.23 0.07 0.00 0.33 0.00 0.00 56.93 57.23 2qox s PHE 77 Cb -0.12 -1.31 0.23 0.00 -1.31 0.00 0.00 43.02 40.51 2qox s PHE 77 CO -0.24 0.47 0.63 -2.13 1.83 0.00 0.00 175.22 175.78 2qox n ARG 78 N 0.32 0.64 -0.80 10.12 0.63 -1.13 -5.02 116.66 121.42 2qox n ARG 78 Ca -0.12 -2.64 -0.26 0.00 -0.92 0.00 0.00 57.85 53.91 2qox n ARG 78 Cb 0.54 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 32.07 2qox n ARG 78 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2qox n ARG 79 N 1.83 0.00 -0.52 -0.14 1.85 -1.26 -1.84 116.66 116.58 2qox n ARG 79 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 2qox n ARG 79 Cb 0.56 -0.62 0.00 0.00 -1.05 0.00 0.00 32.46 31.34 2qox n ARG 79 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2qox n ARG 80 N 0.86 0.00 -0.98 2.89 1.74 -1.26 -4.91 116.66 115.00 2qox n ARG 80 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2qox n ARG 80 Cb 0.26 -3.26 0.00 0.00 -1.02 0.00 0.00 32.46 28.44 2qox n ARG 80 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qox n LYS 81 N -2.00 2.59 -0.13 5.56 4.76 -0.77 -5.09 118.16 123.08 2qox n LYS 81 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 2qox n LYS 81 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 2qox n LYS 81 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2qox n HIS 82 N 0.00 0.13 -0.22 2.13 8.25 -1.26 -4.94 115.22 119.31 2qox n HIS 82 Ca 0.00 0.05 -0.08 0.00 -0.26 0.00 0.00 57.72 57.43 2qox n HIS 82 Cb 0.00 -1.01 -0.02 0.00 1.12 0.00 0.00 29.99 30.07 2qox n HIS 82 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2qox n TYR 83 N -4.06 0.13 -3.51 4.41 -0.00 -1.26 -4.87 117.16 108.00 2qox n TYR 83 Ca -0.51 0.09 -0.20 0.00 -0.00 0.00 0.00 57.90 57.28 2qox n TYR 83 Cb 0.89 -0.37 -0.13 0.00 -0.00 0.00 0.00 39.34 39.73 2qox n TYR 83 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2qox s ARG 84 N 1.22 0.18 0.01 2.98 3.52 -1.25 -2.82 118.95 122.78 2qox s ARG 84 Ca 0.20 0.12 0.08 0.00 -0.13 0.00 0.00 55.73 56.00 2qox s ARG 84 Cb -0.21 -1.29 -0.02 0.00 -1.56 0.00 0.00 34.95 31.86 2qox s ARG 84 CO 0.09 -0.68 -0.23 0.15 -0.81 0.00 0.00 175.30 173.81 2qox s LYS 85 N 2.29 1.74 -0.45 5.12 1.02 -0.47 -4.99 119.74 124.00 2qox s LYS 85 Ca 0.06 -0.92 0.06 0.00 0.02 0.00 0.00 55.97 55.19 2qox s LYS 85 Cb -0.16 -1.78 0.21 0.00 -0.52 0.00 0.00 37.83 35.59 2qox s LYS 85 CO -0.13 0.47 0.47 1.04 -0.92 0.00 0.00 175.35 176.28 2qox n GLN 86 N 2.19 0.76 -3.35 1.68 6.02 -1.25 -1.52 117.38 121.90 2qox n GLN 86 Ca -0.16 -3.45 -0.35 0.00 -0.01 0.00 0.00 57.00 53.03 2qox n GLN 86 Cb 0.52 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 2qox n GLN 86 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2qox s GLN 87 N -0.82 3.98 0.19 -1.09 0.74 -0.21 -4.86 119.66 117.59 2qox s GLN 87 Ca 0.34 0.49 0.08 0.00 0.05 0.00 0.00 55.36 56.32 2qox s GLN 87 Cb 0.10 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.27 2qox s GLN 87 CO -0.14 0.45 0.00 0.20 -0.55 0.00 0.00 175.29 175.26 2qox s GLY 88 N -1.78 1.71 0.06 2.59 0.00 -1.26 0.74 107.32 109.37 2qox s GLY 88 Ca 0.39 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 2qox s GLY 88 CO 0.19 -1.42 -0.00 -1.58 0.00 0.00 0.00 173.10 170.29 2qox s HIS 89 N -1.81 0.50 0.00 1.90 2.46 -0.99 -4.95 115.29 112.41 2qox s HIS 89 Ca 0.28 -1.03 0.00 0.00 0.47 0.00 0.00 55.06 54.78 2qox s HIS 89 Cb -0.09 -0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.00 2qox s HIS 89 CO 0.19 -0.41 0.00 -2.13 -2.47 0.00 0.00 174.74 169.92 2qox n ARG 90 N 0.08 0.42 -0.76 2.88 0.63 -1.26 -1.85 116.66 116.81 2qox n ARG 90 Ca -0.14 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 56.89 2qox n ARG 90 Cb 0.61 -0.55 -0.04 0.00 0.45 0.00 0.00 32.46 32.93 2qox n ARG 90 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2qox n GLN 91 N -0.68 -1.69 -4.40 -0.14 -0.06 -1.26 -3.17 117.38 105.98 2qox n GLN 91 Ca 0.00 1.31 -0.21 0.00 -2.00 0.00 0.00 57.00 56.10 2qox n GLN 91 Cb 0.05 -2.00 -0.10 0.00 -4.06 0.00 0.00 30.24 24.14 2qox n GLN 91 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2qox s TRP 92 N -3.07 1.97 -0.22 3.69 0.52 -1.26 -2.88 118.94 117.68 2qox s TRP 92 Ca 0.00 -0.48 -0.28 0.00 0.02 0.00 0.00 56.10 55.36 2qox s TRP 92 Cb 0.00 -0.89 0.14 0.00 -1.15 0.00 0.00 33.47 31.57 2qox s TRP 92 CO 0.00 0.51 1.11 -0.59 0.02 0.00 0.00 176.95 178.00 2qox s PHE 93 N -2.78 -0.30 0.43 -1.98 -0.12 -0.23 -4.34 117.98 108.67 2qox s PHE 93 Ca 0.26 0.59 0.04 0.00 -0.05 0.00 0.00 56.93 57.77 2qox s PHE 93 Cb -0.02 0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 2qox s PHE 93 CO 0.10 -0.23 0.02 0.95 -0.05 0.00 0.00 175.22 176.01 2qox s THR 94 N -0.72 1.54 0.14 -4.49 -4.23 -0.65 -0.99 115.64 106.24 2qox s THR 94 Ca 0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 2qox s THR 94 Cb -0.02 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2qox s THR 94 CO -0.03 0.00 -0.08 -1.81 -0.54 0.00 0.00 174.62 172.16 2qox s ASP 95 N -3.73 1.58 0.10 3.99 1.01 -1.22 -2.14 116.67 116.25 2qox s ASP 95 Ca 0.25 -1.04 -0.15 0.00 0.71 0.00 0.00 52.55 52.31 2qox s ASP 95 Cb 0.07 0.03 0.03 0.00 1.01 0.00 0.00 42.92 44.05 2qox s ASP 95 CO 0.12 -0.40 0.37 0.68 0.21 0.00 0.00 175.17 176.15 2qox s VAL 96 N -3.44 0.08 0.00 -1.27 -7.23 -0.44 -1.22 120.40 106.88 2qox s VAL 96 Ca 0.17 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2qox s VAL 96 Cb 0.04 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.85 2qox s VAL 96 CO 0.00 -0.35 0.00 1.17 -0.31 0.00 0.00 175.10 175.61 2qox n LYS 97 N 0.01 0.18 -1.13 4.82 4.81 -1.05 -1.24 118.16 124.56 2qox n LYS 97 Ca -0.17 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.33 2qox n LYS 97 Cb 0.62 -0.99 -0.03 0.00 0.02 0.00 0.00 35.03 34.66 2qox n LYS 97 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2qox n ILE 98 N -1.46 -1.53 -1.30 3.15 -0.00 -1.26 -3.49 119.36 113.46 2qox n ILE 98 Ca 0.00 0.92 -0.00 0.00 -0.00 0.00 0.00 62.75 63.67 2qox n ILE 98 Cb 0.00 -1.49 -0.00 0.00 -0.00 0.00 0.00 39.64 38.15 2qox n ILE 98 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2qox n THR 99 N -2.95 0.00 0.00 1.39 -2.24 0.59 -4.08 114.28 107.00 2qox n THR 99 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2qox n THR 99 Cb 0.43 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2qox n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qox n GLY 100 N 0.00 0.81 2.59 3.38 0.00 -1.12 -4.71 105.19 106.13 2qox n GLY 100 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2qox n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qox n ILE 101 N 0.00-11.96 -3.90 -0.61 2.08 -0.97 -4.80 119.36 99.19 2qox n ILE 101 Ca 0.00 2.18 -0.04 0.00 0.56 0.00 0.00 62.75 65.45 2qox n ILE 101 Cb 0.00 -6.61 -0.01 0.00 -0.75 0.00 0.00 39.64 32.26 2qox n ILE 101 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2qox n SER 102 N 1.11 -0.25 0.00 4.38 3.41 -0.95 -4.96 113.62 116.35 2qox n SER 102 Ca -0.19 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 2qox n SER 102 Cb 0.30 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2qox n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88