#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq8 s LEU 2 N 0.00 3.76 0.35 4.03 0.20 -1.26 -5.06 118.68 120.70 1rq8 s LEU 2 Ca 0.00 0.92 0.07 0.00 0.69 0.00 0.00 54.13 55.81 1rq8 s LEU 2 Cb 0.00 -3.83 -0.07 0.00 -0.43 0.00 0.00 46.19 41.86 1rq8 s LEU 2 CO 0.00 -0.46 -0.01 -0.89 -0.29 0.00 0.00 176.35 174.70 1rq8 s THR 3 N -2.53 1.79 0.29 3.68 2.01 -1.26 -4.99 115.64 114.62 1rq8 s THR 3 Ca 0.47 -2.06 0.04 0.00 0.31 0.00 0.00 61.69 60.45 1rq8 s THR 3 Cb -0.10 -2.79 0.28 0.00 0.01 0.00 0.00 72.50 69.90 1rq8 s THR 3 CO 0.39 -0.09 1.75 1.23 -0.69 0.00 0.00 174.62 177.20 1rq8 h GLY 4 N 1.99 1.62 0.49 4.40 0.00 -1.99 -0.16 103.07 109.42 1rq8 h GLY 4 Ca -0.42 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1rq8 h GLY 4 CO 0.74 -0.13 -0.01 1.70 0.00 0.00 0.00 176.54 178.84 1rq8 h LYS 5 N 0.61 0.02 0.00 4.80 1.63 -1.95 -2.73 116.57 118.95 1rq8 h LYS 5 Ca 0.55 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1rq8 h LYS 5 Cb 0.91 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.54 1rq8 h LYS 5 CO -0.43 0.54 -0.02 1.96 -3.45 0.00 0.00 179.45 178.06 1rq8 h GLN 6 N -0.49 0.00 -0.28 1.90 4.20 -1.72 -1.47 115.11 117.25 1rq8 h GLN 6 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1rq8 h GLN 6 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1rq8 h GLN 6 CO 0.00 0.02 0.02 -0.22 -0.67 0.00 0.00 178.83 177.98 1rq8 h LYS 7 N 0.00 0.48 -0.10 1.46 3.64 -0.90 -1.05 116.57 120.10 1rq8 h LYS 7 Ca -0.00 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1rq8 h LYS 7 Cb 0.04 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1rq8 h LYS 7 CO 0.00 0.62 -0.31 -0.09 -2.27 0.00 0.00 179.45 177.40 1rq8 h ARG 8 N 0.28 -0.39 0.39 1.90 9.65 -0.96 1.55 114.38 126.80 1rq8 h ARG 8 Ca 0.08 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1rq8 h ARG 8 Cb 0.39 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1rq8 h ARG 8 CO 0.01 -0.26 -0.19 1.88 2.80 0.00 0.00 179.97 184.21 1rq8 h TYR 9 N -0.41 -0.48 -0.40 2.20 0.05 -1.49 -3.13 116.97 113.32 1rq8 h TYR 9 Ca 0.09 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.72 1rq8 h TYR 9 Cb 0.54 0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1rq8 h TYR 9 CO -0.38 -0.21 -0.29 1.25 -1.05 0.00 0.00 178.16 177.47 1rq8 h LEU 10 N -0.67 0.90 -1.15 3.88 6.46 -1.01 -2.91 115.31 120.80 1rq8 h LEU 10 Ca -0.05 -0.37 0.20 0.00 -0.12 0.00 0.00 57.88 57.54 1rq8 h LEU 10 Cb 0.48 -0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 40.07 1rq8 h LEU 10 CO 0.09 1.12 0.62 -0.09 -0.62 0.00 0.00 178.44 179.56 1rq8 h ARG 11 N 0.73 0.64 -0.01 1.25 1.12 0.22 0.12 114.38 118.45 1rq8 h ARG 11 Ca 0.08 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.73 1rq8 h ARG 11 Cb 0.85 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1rq8 h ARG 11 CO 0.07 0.42 -0.80 1.03 -3.11 0.00 0.00 179.97 177.59 1rq8 h SER 12 N 0.66 0.20 -0.42 -3.80 0.87 -1.47 -3.27 113.55 106.32 1rq8 h SER 12 Ca 0.56 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 61.02 1rq8 h SER 12 Cb 1.01 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 1rq8 h SER 12 CO -0.33 0.91 0.13 -0.07 -0.53 0.00 0.00 176.83 176.95 1rq8 h LEU 13 N 0.09 0.12 -0.99 2.23 -0.00 -0.59 -2.28 115.31 113.90 1rq8 h LEU 13 Ca -0.03 0.05 0.36 0.00 -0.00 0.00 0.00 57.88 58.27 1rq8 h LEU 13 Cb 1.40 0.05 -0.17 0.00 -0.00 0.00 0.00 40.66 41.93 1rq8 h LEU 13 CO 0.12 0.10 0.47 0.00 -0.00 0.00 0.00 178.44 179.13 1rq8 h ALA 14 N 1.28 1.94 -0.66 1.53 0.00 -1.56 0.27 119.26 122.07 1rq8 h ALA 14 Ca 0.20 0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.47 1rq8 h ALA 14 Cb 0.20 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1rq8 h ALA 14 CO -0.21 -0.78 0.23 1.25 0.00 0.00 0.00 179.25 179.74 1rq8 h HIS 15 N 0.11 0.40 0.00 0.00 6.17 -1.59 0.47 115.15 120.70 1rq8 h HIS 15 Ca 0.77 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.87 1rq8 h HIS 15 Cb 1.90 -0.08 -0.00 0.00 2.52 0.00 0.00 27.41 31.75 1rq8 h HIS 15 CO -0.08 0.06 -0.08 -0.97 0.71 0.00 0.00 177.93 177.57 1rq8 h ASN 16 N 0.39 0.00 -3.29 3.26 -1.24 -0.60 -3.44 115.58 110.67 1rq8 h ASN 16 Ca 0.34 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.88 1rq8 h ASN 16 Cb 0.47 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.56 1rq8 h ASN 16 CO -0.36 0.08 0.05 -0.63 -1.29 0.00 0.00 177.43 175.29 1rq8 s ILE 17 N -3.70 4.10 0.09 2.57 1.01 0.17 -5.09 121.20 120.34 1rq8 s ILE 17 Ca 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.57 1rq8 s ILE 17 Cb 0.10 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1rq8 s ILE 17 CO 0.58 -0.51 -0.05 -1.81 0.00 0.00 0.00 174.94 173.15 1rq8 s ASP 18 N -4.22 4.72 -0.38 3.58 1.11 -1.26 -4.92 116.67 115.30 1rq8 s ASP 18 Ca 0.50 -0.27 -0.28 0.00 0.18 0.00 0.00 52.55 52.69 1rq8 s ASP 18 Cb -0.10 -1.03 -0.04 0.00 1.07 0.00 0.00 42.92 42.82 1rq8 s ASP 18 CO 0.42 0.18 2.03 -2.16 1.18 0.00 0.00 175.17 176.83 1rq8 s PRO 19 N -2.20 2.93 0.39 8.23 0.04 -1.26 -3.88 135.00 139.26 1rq8 s PRO 19 Ca 0.23 1.45 0.20 0.00 0.04 0.00 0.00 61.00 62.92 1rq8 s PRO 19 Cb -0.11 -4.35 0.73 0.00 0.04 0.00 0.00 34.50 30.81 1rq8 s PRO 19 CO 0.16 -2.33 1.75 -0.84 0.04 0.00 0.00 177.00 175.77 1rq8 h ILE 20 N 7.08 0.77 -3.23 0.56 -2.65 -1.65 -3.45 117.51 114.94 1rq8 h ILE 20 Ca -0.33 -1.41 -0.14 0.00 1.03 0.00 0.00 64.86 64.01 1rq8 h ILE 20 Cb 1.20 1.89 -0.22 0.00 -2.05 0.00 0.00 36.82 37.65 1rq8 h ILE 20 CO 1.07 0.32 -0.40 -0.36 0.03 0.00 0.00 178.15 178.81 1rq8 s PHE 21 N -3.60 -0.13 0.08 0.16 0.08 -1.26 -5.01 117.98 108.30 1rq8 s PHE 21 Ca 0.00 0.24 0.09 0.00 0.12 0.00 0.00 56.93 57.38 1rq8 s PHE 21 Cb 0.11 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.57 1rq8 s PHE 21 CO 0.67 -0.28 -0.24 -1.14 -0.10 0.00 0.00 175.22 174.14 1rq8 s GLN 22 N -0.92 1.41 0.09 0.44 0.74 -1.26 -1.96 119.66 118.19 1rq8 s GLN 22 Ca -0.10 -1.14 -0.10 0.00 0.05 0.00 0.00 55.36 54.07 1rq8 s GLN 22 Cb -0.05 -1.68 -0.06 0.00 1.10 0.00 0.00 33.01 32.33 1rq8 s GLN 22 CO 0.02 0.41 0.41 0.42 -0.55 0.00 0.00 175.29 176.00 1rq8 s ILE 23 N -0.96 5.09 1.01 -2.34 1.01 0.29 -4.92 121.20 120.37 1rq8 s ILE 23 Ca 0.10 0.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.05 1rq8 s ILE 23 Cb -0.10 -3.65 0.19 0.00 0.01 0.00 0.00 42.46 38.92 1rq8 s ILE 23 CO 0.04 0.27 1.14 -0.83 0.00 0.00 0.00 174.94 175.56 1rq8 s GLY 24 N -1.79 1.59 -0.84 6.18 0.00 -1.26 -2.65 107.32 108.56 1rq8 s GLY 24 Ca 0.34 -0.66 -0.20 0.00 0.00 0.00 0.00 44.72 44.20 1rq8 s GLY 24 CO 0.18 0.01 1.07 0.54 0.00 0.00 0.00 173.10 174.90 1rq8 s LYS 25 N -5.29 3.44 0.00 2.90 3.01 -1.26 -4.02 119.74 118.52 1rq8 s LYS 25 Ca 0.67 -1.48 0.00 0.00 -1.01 0.00 0.00 55.97 54.15 1rq8 s LYS 25 Cb -0.13 -4.71 0.00 0.00 -1.01 0.00 0.00 37.83 31.98 1rq8 s LYS 25 CO 0.55 -1.78 0.00 0.41 0.51 0.00 0.00 175.35 175.04 1rq8 n GLY 26 N 5.47 0.08 0.00 -3.33 0.00 -1.26 -5.06 105.19 101.09 1rq8 n GLY 26 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1rq8 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq8 n GLY 27 N -0.65 3.23 3.64 -0.02 0.00 -1.26 -5.08 105.19 105.04 1rq8 n GLY 27 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1rq8 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rq8 s ILE 28 N -2.00 3.30 -0.16 -0.61 1.01 -1.26 -4.74 121.20 116.74 1rq8 s ILE 28 Ca 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 1rq8 s ILE 28 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1rq8 s ILE 28 CO 0.00 -0.11 0.06 0.20 0.00 0.00 0.00 174.94 175.09 1rq8 s ASN 29 N 5.17 5.64 0.62 3.58 -0.87 -1.26 -4.96 114.94 122.86 1rq8 s ASN 29 Ca 0.84 0.13 0.28 0.00 -1.57 0.00 0.00 52.86 52.54 1rq8 s ASN 29 Cb -0.33 -1.90 1.43 0.00 -0.02 0.00 0.00 41.25 40.43 1rq8 s ASN 29 CO 0.35 0.23 1.84 -0.08 -2.57 0.00 0.00 177.10 176.86 1rq8 h GLU 30 N 6.28 0.00 -0.76 -0.60 4.57 -1.98 0.18 114.58 122.27 1rq8 h GLU 30 Ca -0.41 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 57.86 1rq8 h GLU 30 Cb 1.18 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.70 1rq8 h GLU 30 CO 0.67 0.00 0.42 -0.91 -1.18 0.00 0.00 179.01 178.00 1rq8 h ASN 31 N 0.00 0.59 -0.12 1.04 2.35 -1.99 1.40 115.58 118.85 1rq8 h ASN 31 Ca 0.15 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1rq8 h ASN 31 Cb 1.14 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1rq8 h ASN 31 CO -0.00 0.35 -0.40 0.24 -1.65 0.00 0.00 177.43 175.97 1rq8 h MET 32 N 0.72 0.49 -0.26 0.81 2.86 -0.99 -3.05 114.93 115.50 1rq8 h MET 32 Ca 0.36 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1rq8 h MET 32 Cb 0.32 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1rq8 h MET 32 CO -0.24 0.98 -0.06 0.82 1.06 0.00 0.00 176.91 179.48 1rq8 h ILE 33 N 0.08 1.19 -0.67 -1.22 2.04 -1.15 0.39 117.51 118.17 1rq8 h ILE 33 Ca -0.02 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1rq8 h ILE 33 Cb 1.03 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1rq8 h ILE 33 CO 0.09 0.26 0.35 0.11 0.00 0.00 0.00 178.15 178.95 1rq8 h LYS 34 N 0.38 0.61 0.03 2.37 1.79 0.20 1.79 116.57 123.74 1rq8 h LYS 34 Ca 0.08 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1rq8 h LYS 34 Cb 0.35 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1rq8 h LYS 34 CO 0.02 0.40 -0.02 1.96 -1.08 0.00 0.00 179.45 180.73 1rq8 h GLN 35 N 0.63 -0.04 -0.99 3.15 4.20 -1.27 -3.12 115.11 117.67 1rq8 h GLN 35 Ca 0.32 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.19 1rq8 h GLN 35 Cb 0.27 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.96 1rq8 h GLN 35 CO -0.22 0.64 0.60 0.82 -0.67 0.00 0.00 178.83 180.00 1rq8 h ILE 36 N -0.88 0.79 -0.12 2.54 2.04 0.05 -1.33 117.51 120.61 1rq8 h ILE 36 Ca -0.00 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1rq8 h ILE 36 Cb 0.70 -0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1rq8 h ILE 36 CO 0.01 0.15 -0.30 -0.78 0.00 0.00 0.00 178.15 177.23 1rq8 h ASP 37 N 0.84 -0.91 0.34 1.72 3.58 0.27 1.34 116.42 123.60 1rq8 h ASP 37 Ca 0.53 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 58.09 1rq8 h ASP 37 Cb 0.71 0.39 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1rq8 h ASP 37 CO -0.34 -0.34 -0.16 -0.78 -2.88 0.00 0.00 179.24 174.75 1rq8 h ASP 38 N -0.38 0.00 0.59 2.28 1.82 -1.22 1.24 116.42 120.76 1rq8 h ASP 38 Ca 0.10 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.45 1rq8 h ASP 38 Cb 0.52 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1rq8 h ASP 38 CO -0.33 0.16 -1.38 0.71 -1.61 0.00 0.00 179.24 176.78 1rq8 h THR 39 N 0.00 1.31 0.02 2.25 1.35 -0.13 -2.47 112.91 115.23 1rq8 h THR 39 Ca -0.00 -2.96 -0.26 0.00 -0.55 0.00 0.00 66.41 62.64 1rq8 h THR 39 Cb 0.37 2.79 -0.04 0.00 -1.73 0.00 0.00 68.15 69.54 1rq8 h THR 39 CO 0.02 0.84 -1.38 0.25 -0.25 0.00 0.00 175.52 175.00 1rq8 h LEU 40 N 0.05 0.06 0.00 3.87 7.12 0.22 -1.82 115.31 124.80 1rq8 h LEU 40 Ca -0.18 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1rq8 h LEU 40 Cb 1.96 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 42.07 1rq8 h LEU 40 CO 0.16 1.07 -0.01 -0.08 -0.13 0.00 0.00 178.44 179.45 1rq8 h GLU 41 N 0.01 0.00 0.00 1.25 4.22 0.14 -3.30 114.58 116.90 1rq8 h GLU 41 Ca -0.16 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 58.92 1rq8 h GLU 41 Cb 1.91 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.09 1rq8 h GLU 41 CO 0.11 0.00 -2.34 -1.71 -2.18 0.00 0.00 179.01 172.90 1rq8 n ASN 42 N -3.03 0.05 0.00 1.04 5.15 -0.93 -4.89 115.26 112.65 1rq8 n ASN 42 Ca 0.04 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1rq8 n ASN 42 Cb 0.52 0.96 0.00 0.00 -0.53 0.00 0.00 39.78 40.73 1rq8 n ASN 42 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1rq8 n ARG 43 N -2.75 3.40 0.04 1.20 0.63 -0.69 -3.97 116.66 114.52 1rq8 n ARG 43 Ca -0.31 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.62 1rq8 n ARG 43 Cb 1.14 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.05 1rq8 n ARG 43 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1rq8 n GLU 44 N 0.00 0.00 -3.87 -0.14 4.71 -1.26 -4.61 120.64 115.47 1rq8 n GLU 44 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 1rq8 n GLU 44 Cb 0.00 -0.45 -0.13 0.00 -1.01 0.00 0.00 31.44 29.85 1rq8 n GLU 44 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1rq8 s LEU 45 N -6.70 3.29 -0.06 -4.62 2.96 -1.26 -2.49 118.68 109.80 1rq8 s LEU 45 Ca 0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1rq8 s LEU 45 Cb 0.00 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1rq8 s LEU 45 CO 0.00 -0.00 -0.17 0.27 -1.32 0.00 0.00 176.35 175.13 1rq8 s ILE 46 N 1.41 1.43 -0.00 6.68 -5.25 -1.02 -5.00 121.20 119.44 1rq8 s ILE 46 Ca 0.05 -0.69 -0.17 0.00 -0.99 0.00 0.00 60.65 58.85 1rq8 s ILE 46 Cb -0.15 -1.25 -0.06 0.00 2.95 0.00 0.00 42.46 43.96 1rq8 s ILE 46 CO 0.02 0.42 0.49 -0.54 -1.79 0.00 0.00 174.94 173.53 1rq8 s LYS 47 N 0.26 4.13 -0.10 0.37 1.02 -1.25 -3.08 119.74 121.09 1rq8 s LYS 47 Ca -0.09 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1rq8 s LYS 47 Cb -0.14 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1rq8 s LYS 47 CO 0.04 0.54 -0.08 0.08 -0.92 0.00 0.00 175.35 175.00 1rq8 s VAL 48 N -0.66 1.02 -0.46 3.17 1.01 -0.18 -1.53 120.40 122.78 1rq8 s VAL 48 Ca 0.26 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 1rq8 s VAL 48 Cb -0.17 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1rq8 s VAL 48 CO 0.15 0.36 0.84 -2.28 0.00 0.00 0.00 175.10 174.17 1rq8 s HIS 49 N 1.52 2.96 -0.20 5.22 2.46 -0.83 0.18 115.29 126.59 1rq8 s HIS 49 Ca 0.01 0.21 -0.09 0.00 0.47 0.00 0.00 55.06 55.67 1rq8 s HIS 49 Cb -0.13 -3.79 -0.05 0.00 -0.13 0.00 0.00 32.58 28.48 1rq8 s HIS 49 CO -0.06 -1.05 0.10 0.54 -2.47 0.00 0.00 174.74 171.80 1rq8 s VAL 50 N 3.48 5.09 -1.36 0.89 0.11 0.22 0.10 120.40 128.94 1rq8 s VAL 50 Ca 0.32 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.37 1rq8 s VAL 50 Cb -0.12 -3.32 0.10 0.00 -1.53 0.00 0.00 36.38 31.51 1rq8 s VAL 50 CO 0.24 0.43 2.29 0.18 -3.33 0.00 0.00 175.10 174.90 1rq8 n LEU 51 N 3.74 7.64 -0.07 2.54 7.99 -1.08 -4.48 117.00 133.27 1rq8 n LEU 51 Ca -0.16 -4.70 -0.07 0.00 -0.01 0.00 0.00 56.01 51.08 1rq8 n LEU 51 Cb 0.52 -1.44 -0.15 0.00 -0.11 0.00 0.00 43.42 42.23 1rq8 n LEU 51 CO 0.36 1.79 -0.96 1.67 -1.51 0.00 0.00 177.39 178.73 1rq8 n GLN 52 N 2.93 0.67 -1.25 3.23 -0.06 -1.26 -4.04 117.38 117.60 1rq8 n GLN 52 Ca 0.57 0.03 -0.09 0.00 -2.00 0.00 0.00 57.00 55.51 1rq8 n GLN 52 Cb 0.29 -1.58 -0.04 0.00 -4.06 0.00 0.00 30.24 24.85 1rq8 n GLN 52 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1rq8 n ASN 53 N -2.74 -5.74 -4.39 1.69 2.85 -1.26 -4.86 115.26 100.80 1rq8 n ASN 53 Ca -0.26 0.22 -0.20 0.00 -0.11 0.00 0.00 54.58 54.23 1rq8 n ASN 53 Cb 1.05 -4.05 -0.10 0.00 1.24 0.00 0.00 39.78 37.92 1rq8 n ASN 53 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1rq8 s ASN 54 N -2.31 2.86 0.00 1.20 2.47 -1.26 -5.03 114.94 112.87 1rq8 s ASN 54 Ca 0.00 -1.04 0.00 0.00 0.42 0.00 0.00 52.86 52.24 1rq8 s ASN 54 Cb 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.62 1rq8 s ASN 54 CO 0.00 -0.13 0.00 0.49 -3.72 0.00 0.00 177.10 173.74 1rq8 n PHE 55 N -0.46 0.00 1.55 0.43 3.72 -1.26 -2.89 117.46 118.54 1rq8 n PHE 55 Ca -0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 1rq8 n PHE 55 Cb 0.61 -0.41 0.75 0.00 -0.94 0.00 0.00 39.48 39.48 1rq8 n PHE 55 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1rq8 n ASP 56 N -1.96 0.00 -0.12 4.37 9.92 -1.26 -2.75 116.55 124.75 1rq8 n ASP 56 Ca 0.00 -0.68 -0.25 0.00 -0.53 0.00 0.00 54.79 53.34 1rq8 n ASP 56 Cb 0.00 -0.05 -0.11 0.00 -0.64 0.00 0.00 41.12 40.32 1rq8 n ASP 56 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1rq8 n ASP 57 N -1.05 1.97 0.00 -2.24 2.03 -1.26 -2.89 116.55 113.10 1rq8 n ASP 57 Ca 0.18 0.21 0.03 0.00 0.52 0.00 0.00 54.79 55.73 1rq8 n ASP 57 Cb 0.11 -0.73 0.40 0.00 -0.72 0.00 0.00 41.12 40.17 1rq8 n ASP 57 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1rq8 h LYS 58 N -0.62 0.53 -0.04 -0.67 3.64 -1.53 0.23 116.57 118.11 1rq8 h LYS 58 Ca -0.59 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.72 1rq8 h LYS 58 Cb 1.69 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1rq8 h LYS 58 CO -0.25 0.40 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.06 1rq8 h LYS 59 N 0.54 0.10 -0.88 1.90 3.64 -1.69 -2.81 116.57 117.37 1rq8 h LYS 59 Ca 0.14 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1rq8 h LYS 59 Cb 0.03 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1rq8 h LYS 59 CO -0.02 0.59 0.57 1.49 -2.27 0.00 0.00 179.45 179.81 1rq8 h GLU 60 N -0.38 0.83 -0.78 1.90 4.81 -1.24 0.83 114.58 120.55 1rq8 h GLU 60 Ca 0.00 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1rq8 h GLU 60 Cb 0.58 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 1rq8 h GLU 60 CO 0.01 0.55 0.44 -0.07 -0.73 0.00 0.00 179.01 179.21 1rq8 h LEU 61 N 0.85 0.64 -1.25 1.64 4.07 -0.38 0.13 115.31 121.01 1rq8 h LEU 61 Ca 0.41 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.42 1rq8 h LEU 61 Cb 0.43 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 1rq8 h LEU 61 CO -0.17 0.39 0.51 0.00 -1.08 0.00 0.00 178.44 178.08 1rq8 h ALA 62 N 1.42 1.46 -0.87 1.53 0.00 -0.60 0.11 119.26 122.31 1rq8 h ALA 62 Ca 0.36 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.47 1rq8 h ALA 62 Cb 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1rq8 h ALA 62 CO -0.22 0.50 0.62 1.49 0.00 0.00 0.00 179.25 181.64 1rq8 h GLU 63 N 1.04 0.04 0.10 0.00 4.81 -0.33 1.90 114.58 122.13 1rq8 h GLU 63 Ca 0.28 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.22 1rq8 h GLU 63 Cb -0.11 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1rq8 h GLU 63 CO -0.06 0.03 -1.43 1.15 -0.73 0.00 0.00 179.01 177.96 1rq8 h THR 64 N 0.04 1.26 0.00 0.32 2.02 -0.66 -3.02 112.91 112.87 1rq8 h THR 64 Ca 0.42 -2.91 -0.01 0.00 0.77 0.00 0.00 66.41 64.69 1rq8 h THR 64 Cb 1.61 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 70.80 1rq8 h THR 64 CO -0.02 0.82 -0.04 -0.07 0.37 0.00 0.00 175.52 176.58 1rq8 h LEU 65 N 0.06 0.00 -0.90 2.58 3.38 0.15 -1.33 115.31 119.25 1rq8 h LEU 65 Ca -0.20 -0.68 0.15 0.00 0.09 0.00 0.00 57.88 57.23 1rq8 h LEU 65 Cb 1.98 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.64 1rq8 h LEU 65 CO 0.16 0.86 0.50 0.77 0.09 0.00 0.00 178.44 180.82 1rq8 h SER 66 N -1.00 0.65 0.36 -0.43 4.64 0.24 1.26 113.55 119.28 1rq8 h SER 66 Ca -0.01 0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 1rq8 h SER 66 Cb 0.71 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1rq8 h SER 66 CO -0.01 0.29 -0.85 -0.33 -0.87 0.00 0.00 176.83 175.06 1rq8 h GLU 67 N 0.72 0.36 0.01 4.77 4.39 -1.63 -1.92 114.58 121.27 1rq8 h GLU 67 Ca 0.48 -0.35 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 1rq8 h GLU 67 Cb 0.65 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1rq8 h GLU 67 CO -0.34 1.02 -0.88 0.00 -1.16 0.00 0.00 179.01 177.65 1rq8 h ALA 68 N 0.86 0.53 -0.14 3.43 0.00 0.15 -3.06 119.26 121.04 1rq8 h ALA 68 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1rq8 h ALA 68 Cb 1.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1rq8 h ALA 68 CO 0.14 0.98 0.00 0.25 0.00 0.00 0.00 179.25 180.62 1rq8 n THR 69 N -3.60 0.19 -3.97 0.00 -2.24 0.42 -4.88 114.28 100.19 1rq8 n THR 69 Ca -0.03 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 1rq8 n THR 69 Cb 0.82 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1rq8 n THR 69 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1rq8 n ARG 70 N -0.08 -4.14 -1.94 -0.78 0.63 -1.16 -4.90 116.66 104.29 1rq8 n ARG 70 Ca 0.08 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1rq8 n ARG 70 Cb 0.15 -5.04 0.00 0.00 0.45 0.00 0.00 32.46 28.02 1rq8 n ARG 70 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1rq8 n SER 71 N -2.88 0.00 -3.86 6.15 2.88 -0.73 -4.53 113.62 110.65 1rq8 n SER 71 Ca -0.12 -0.99 -0.26 0.00 -1.33 0.00 0.00 58.87 56.17 1rq8 n SER 71 Cb 0.59 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.88 1rq8 n SER 71 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1rq8 s GLU 72 N -1.97 1.20 -0.35 -1.46 2.56 -1.16 -4.52 118.70 113.01 1rq8 s GLU 72 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 54.97 54.51 1rq8 s GLU 72 Cb 0.00 -1.49 -0.05 0.00 2.00 0.00 0.00 34.13 34.59 1rq8 s GLU 72 CO 0.00 -0.32 2.25 -1.17 -0.56 0.00 0.00 175.26 175.46 1rq8 s LEU 73 N 1.78 3.42 0.30 2.70 0.20 -1.26 -2.52 118.68 123.30 1rq8 s LEU 73 Ca 0.04 1.46 0.09 0.00 0.69 0.00 0.00 54.13 56.41 1rq8 s LEU 73 Cb -0.13 -3.08 0.46 0.00 -0.43 0.00 0.00 46.19 43.01 1rq8 s LEU 73 CO -0.07 -2.32 1.69 -0.37 -0.29 0.00 0.00 176.35 174.98 1rq8 h VAL 74 N 7.33 1.35 -1.39 1.68 -1.51 -1.05 -3.47 116.25 119.18 1rq8 h VAL 74 Ca -0.33 -1.68 0.40 0.00 -1.23 0.00 0.00 66.70 63.86 1rq8 h VAL 74 Cb 1.24 1.85 -0.12 0.00 -2.13 0.00 0.00 31.29 32.13 1rq8 h VAL 74 CO 1.05 0.49 1.00 -1.58 -1.23 0.00 0.00 177.57 177.31 1rq8 s GLN 75 N -3.96 0.03 -0.21 5.19 2.00 -0.99 -4.78 119.66 116.94 1rq8 s GLN 75 Ca -0.03 -0.02 0.01 0.00 -2.00 0.00 0.00 55.36 53.33 1rq8 s GLN 75 Cb 0.13 0.01 0.04 0.00 0.80 0.00 0.00 33.01 33.99 1rq8 s GLN 75 CO 0.76 -0.01 -0.12 0.08 -0.50 0.00 0.00 175.29 175.50 1rq8 s VAL 76 N -2.02 1.84 -0.69 1.34 1.01 -1.26 0.27 120.40 120.89 1rq8 s VAL 76 Ca 0.22 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 60.82 1rq8 s VAL 76 Cb 0.05 -1.88 0.07 0.00 0.00 0.00 0.00 36.38 34.62 1rq8 s VAL 76 CO -0.05 0.18 1.03 -0.63 0.00 0.00 0.00 175.10 175.63 1rq8 s ILE 77 N 1.31 4.25 0.00 2.22 -1.09 0.24 -4.85 121.20 123.28 1rq8 s ILE 77 Ca -0.02 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1rq8 s ILE 77 Cb -0.17 -4.73 0.00 0.00 -1.58 0.00 0.00 42.46 35.98 1rq8 s ILE 77 CO -0.08 -1.53 0.00 0.61 -1.23 0.00 0.00 174.94 172.71 1rq8 n GLY 78 N 5.38 1.85 0.81 6.18 0.00 -1.26 0.17 105.19 118.33 1rq8 n GLY 78 Ca -0.01 0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.53 1rq8 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rq8 n SER 79 N 7.01 2.29 -4.41 1.61 7.64 -1.26 -4.87 113.62 121.62 1rq8 n SER 79 Ca 0.00 -2.18 -0.23 0.00 1.01 0.00 0.00 58.87 57.47 1rq8 n SER 79 Cb 0.00 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 62.71 1rq8 n SER 79 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1rq8 s MET 80 N -1.66 1.51 -0.06 1.43 1.00 0.46 0.73 119.30 122.71 1rq8 s MET 80 Ca 0.22 -1.63 0.06 0.00 0.00 0.00 0.00 55.69 54.34 1rq8 s MET 80 Cb 0.14 -1.58 -0.01 0.00 0.00 0.00 0.00 34.83 33.38 1rq8 s MET 80 CO 0.11 0.30 -0.23 0.42 0.00 0.00 0.00 175.02 175.62 1rq8 s ILE 81 N -2.37 2.25 -0.36 2.53 1.01 0.46 0.79 121.20 125.52 1rq8 s ILE 81 Ca 0.24 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1rq8 s ILE 81 Cb -0.05 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.63 1rq8 s ILE 81 CO 0.11 0.57 0.15 -0.69 0.00 0.00 0.00 174.94 175.08 1rq8 s VAL 82 N -0.27 4.14 -0.01 2.92 1.01 0.75 -1.01 120.40 127.94 1rq8 s VAL 82 Ca -0.00 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.02 1rq8 s VAL 82 Cb -0.13 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1rq8 s VAL 82 CO 0.03 -0.21 -0.18 -0.63 0.00 0.00 0.00 175.10 174.11 1rq8 s ILE 83 N 1.47 1.41 -0.27 2.22 1.01 -1.18 -0.36 121.20 125.50 1rq8 s ILE 83 Ca -0.00 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1rq8 s ILE 83 Cb -0.19 -1.18 0.06 0.00 0.01 0.00 0.00 42.46 41.15 1rq8 s ILE 83 CO 0.05 0.37 -0.09 -0.47 0.00 0.00 0.00 174.94 174.80 1rq8 s TYR 84 N -0.46 3.27 -0.32 3.97 5.04 -1.05 -2.44 117.35 125.36 1rq8 s TYR 84 Ca 0.07 -2.24 -0.16 0.00 -2.44 0.00 0.00 57.07 52.30 1rq8 s TYR 84 Cb -0.07 -1.97 -0.02 0.00 0.35 0.00 0.00 41.96 40.25 1rq8 s TYR 84 CO -0.00 -0.86 0.42 0.50 -1.34 0.00 0.00 175.55 174.26 1rq8 s ARG 85 N 1.13 3.73 0.00 4.97 3.52 -1.04 -2.96 118.95 128.30 1rq8 s ARG 85 Ca -0.08 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1rq8 s ARG 85 Cb -0.20 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 1rq8 s ARG 85 CO -0.04 -0.48 0.00 -0.85 -0.81 0.00 0.00 175.30 173.12 1rq8 n GLU 86 N 5.48 0.00 -4.39 5.12 0.28 -1.26 -4.71 120.64 121.16 1rq8 n GLU 86 Ca -0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.72 1rq8 n GLU 86 Cb 0.50 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.23 1rq8 n GLU 86 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1rq8 s SER 87 N -0.80 1.82 0.33 -1.84 0.01 -1.26 -4.90 113.70 107.06 1rq8 s SER 87 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1rq8 s SER 87 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1rq8 s SER 87 CO 0.00 0.05 0.00 1.17 0.41 0.00 0.00 173.24 174.87 1rq8 n LYS 88 N 1.83 0.00 -3.25 12.44 3.00 -1.26 -5.06 118.16 125.86 1rq8 n LYS 88 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.73 1rq8 n LYS 88 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.50 1rq8 n LYS 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1rq8 s GLU 89 N -1.77 4.14 -0.92 1.64 2.12 -1.25 -4.94 118.70 117.71 1rq8 s GLU 89 Ca 0.00 0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.43 1rq8 s GLU 89 Cb 0.00 -3.59 -0.23 0.00 0.26 0.00 0.00 34.13 30.56 1rq8 s GLU 89 CO 0.00 -0.22 2.00 -1.71 -0.54 0.00 0.00 175.26 174.79 1rq8 n ASN 90 N 5.06 1.62 -4.96 -1.70 2.85 -1.26 -4.84 115.26 112.03 1rq8 n ASN 90 Ca -0.05 -2.54 -0.23 0.00 -0.11 0.00 0.00 54.58 51.66 1rq8 n ASN 90 Cb 0.50 -1.52 -0.02 0.00 1.24 0.00 0.00 39.78 39.98 1rq8 n ASN 90 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1rq8 s LYS 91 N 7.82 3.45 -0.70 1.20 2.47 -1.26 -4.94 119.74 127.78 1rq8 s LYS 91 Ca 0.77 -0.64 -0.26 0.00 -1.56 0.00 0.00 55.97 54.28 1rq8 s LYS 91 Cb -0.00 -2.87 -0.22 0.00 -1.46 0.00 0.00 37.83 33.27 1rq8 s LYS 91 CO 0.20 0.41 1.87 -0.85 0.16 0.00 0.00 175.35 177.14 1rq8 n GLU 92 N -1.20 0.80 -4.47 4.03 0.28 -1.26 -4.85 120.64 113.98 1rq8 n GLU 92 Ca -0.08 -1.71 -0.34 0.00 -0.16 0.00 0.00 57.16 54.87 1rq8 n GLU 92 Cb 0.56 -3.18 -0.11 0.00 1.43 0.00 0.00 31.44 30.14 1rq8 n GLU 92 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rq8 s ILE 93 N 9.45 4.02 0.16 3.84 -1.09 -1.26 -5.12 121.20 131.21 1rq8 s ILE 93 Ca 0.68 -0.35 0.07 0.00 -2.23 0.00 0.00 60.65 58.82 1rq8 s ILE 93 Cb 0.07 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 1rq8 s ILE 93 CO 0.21 0.58 -0.01 -1.83 -1.23 0.00 0.00 174.94 172.66 1rq8 s GLU 94 N -0.62 2.39 -0.40 2.79 1.03 -1.26 -5.05 118.70 117.58 1rq8 s GLU 94 Ca 0.10 -1.08 0.03 0.00 0.03 0.00 0.00 54.97 54.05 1rq8 s GLU 94 Cb -0.12 -2.37 0.29 0.00 -0.80 0.00 0.00 34.13 31.14 1rq8 s GLU 94 CO 0.02 0.47 1.17 -0.11 -1.33 0.00 0.00 175.26 175.48 1rq8 n LEU 95 N 0.01 -1.91 0.00 1.83 7.94 -1.26 -4.78 117.00 118.83 1rq8 n LEU 95 Ca -0.10 -2.61 0.09 0.00 -1.11 0.00 0.00 56.01 52.28 1rq8 n LEU 95 Cb 0.55 0.83 0.54 0.00 0.53 0.00 0.00 43.42 45.86 1rq8 n LEU 95 CO 0.38 1.80 0.73 -0.81 -1.11 0.00 0.00 177.39 178.39