#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 4.01 0.35 4.03 0.20 -1.26 -5.07 118.68 120.94 1rq8 s LEU 2 Ca 0.00 1.57 0.07 0.00 0.69 0.00 0.00 54.13 56.45 1rq8 s LEU 2 Cb 0.00 -4.35 -0.07 0.00 -0.43 0.00 0.00 46.19 41.34 1rq8 s LEU 2 CO 0.00 -0.29 -0.01 0.28 -0.29 0.00 0.00 176.35 176.04 1rq8 s THR 3 N -2.07 1.77 0.23 3.68 -1.32 -1.26 -4.97 115.64 111.70 1rq8 s THR 3 Ca 0.59 -2.07 -0.11 0.00 -1.21 0.00 0.00 61.69 58.89 1rq8 s THR 3 Cb -0.10 -2.77 0.27 0.00 -1.51 0.00 0.00 72.50 68.39 1rq8 s THR 3 CO 0.15 -0.10 1.62 1.23 -2.21 0.00 0.00 174.62 175.31 1rq8 h GLY 4 N 2.01 0.59 0.99 6.08 0.00 -1.98 0.30 103.07 111.06 1rq8 h GLY 4 Ca -0.42 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1rq8 h GLY 4 CO 0.73 -0.27 0.31 1.70 0.00 0.00 0.00 176.54 179.02 1rq8 h LYS 5 N 0.03 0.76 0.00 4.80 3.64 -1.98 -0.69 116.57 123.13 1rq8 h LYS 5 Ca 0.35 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1rq8 h LYS 5 Cb 0.56 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1rq8 h LYS 5 CO -0.69 0.58 -0.40 1.96 -2.27 0.00 0.00 179.45 178.63 1rq8 h GLN 6 N 0.74 0.00 -0.42 1.90 4.20 -1.48 -2.68 115.11 117.37 1rq8 h GLN 6 Ca 0.19 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 1rq8 h GLN 6 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1rq8 h GLN 6 CO -0.03 0.40 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.17 1rq8 h LYS 7 N 0.00 0.83 -0.03 1.46 3.64 0.27 -1.45 116.57 121.29 1rq8 h LYS 7 Ca -0.00 -0.34 0.04 0.00 -1.27 0.00 0.00 60.65 59.07 1rq8 h LYS 7 Cb 0.77 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1rq8 h LYS 7 CO 0.05 0.97 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.83 1rq8 h ARG 8 N 0.65 -0.39 0.03 1.90 2.43 -0.80 1.64 114.38 119.84 1rq8 h ARG 8 Ca 0.10 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rq8 h ARG 8 Cb 0.68 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1rq8 h ARG 8 CO 0.05 -0.26 -0.02 1.88 -1.51 0.00 0.00 179.97 180.11 1rq8 h TYR 9 N -0.41 -0.04 -0.07 2.20 0.05 -1.50 -3.06 116.97 114.15 1rq8 h TYR 9 Ca 0.07 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 1rq8 h TYR 9 Cb 0.51 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1rq8 h TYR 9 CO -0.32 0.11 -0.28 1.25 -1.05 0.00 0.00 178.16 177.87 1rq8 h LEU 10 N -0.18 0.37 -1.75 3.88 6.46 -1.01 -2.85 115.31 120.24 1rq8 h LEU 10 Ca -0.00 -0.63 0.26 0.00 -0.12 0.00 0.00 57.88 57.38 1rq8 h LEU 10 Cb 0.17 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1rq8 h LEU 10 CO 0.01 0.94 0.67 -0.09 -0.62 0.00 0.00 178.44 179.35 1rq8 h ARG 11 N -0.18 0.18 0.12 1.25 1.12 0.24 0.14 114.38 117.25 1rq8 h ARG 11 Ca -0.01 -0.01 -0.27 0.00 -1.11 0.00 0.00 59.98 58.57 1rq8 h ARG 11 Cb 0.92 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.85 1rq8 h ARG 11 CO 0.06 0.12 -1.21 0.66 -3.11 0.00 0.00 179.97 176.48 1rq8 h SER 12 N 0.18 0.45 -0.25 -3.80 4.64 -1.50 -3.33 113.55 109.95 1rq8 h SER 12 Ca 0.49 -0.46 0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1rq8 h SER 12 Cb 1.61 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.51 1rq8 h SER 12 CO -0.11 1.35 -0.02 -0.07 -0.87 0.00 0.00 176.83 177.11 1rq8 h LEU 13 N 0.09 -0.14 -1.96 5.97 -0.00 -0.48 -0.61 115.31 118.19 1rq8 h LEU 13 Ca -0.13 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.86 1rq8 h LEU 13 Cb 1.93 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 42.70 1rq8 h LEU 13 CO 0.20 -0.04 0.39 0.00 -0.00 0.00 0.00 178.44 178.99 1rq8 h ALA 14 N 1.23 1.65 -0.55 1.53 0.00 -1.60 -2.69 119.26 118.83 1rq8 h ALA 14 Ca 0.12 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1rq8 h ALA 14 Cb 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1rq8 h ALA 14 CO -0.22 -0.47 0.21 1.25 0.00 0.00 0.00 179.25 180.02 1rq8 h HIS 15 N 0.00 0.38 -0.64 0.00 6.17 -1.24 -2.36 115.15 117.45 1rq8 h HIS 15 Ca 0.08 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1rq8 h HIS 15 Cb 0.85 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.70 1rq8 h HIS 15 CO 0.00 0.12 0.00 -1.71 0.71 0.00 0.00 177.93 177.05 1rq8 n ASN 16 N -4.98 3.61 -4.99 3.26 5.15 -1.01 -4.95 115.26 111.35 1rq8 n ASN 16 Ca 0.07 -2.07 -0.19 0.00 -0.60 0.00 0.00 54.58 51.79 1rq8 n ASN 16 Cb 0.22 -0.45 0.04 0.00 -0.53 0.00 0.00 39.78 39.06 1rq8 n ASN 16 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1rq8 s ILE 17 N -1.25 2.58 0.06 -1.44 1.01 -0.89 -5.11 121.20 116.15 1rq8 s ILE 17 Ca 0.44 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1rq8 s ILE 17 Cb 0.24 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1rq8 s ILE 17 CO 0.28 0.00 0.07 -1.81 0.00 0.00 0.00 174.94 173.48 1rq8 s ASP 18 N -4.51 5.49 -0.29 3.58 1.01 -1.26 -5.03 116.67 115.67 1rq8 s ASP 18 Ca 0.59 0.01 -0.28 0.00 0.71 0.00 0.00 52.55 53.58 1rq8 s ASP 18 Cb -0.08 -1.48 -0.05 0.00 1.01 0.00 0.00 42.92 42.32 1rq8 s ASP 18 CO 0.37 0.20 2.17 -2.16 0.21 0.00 0.00 175.17 175.96 1rq8 s PRO 19 N -2.17 2.99 0.20 8.23 0.04 -1.26 -4.27 135.00 138.76 1rq8 s PRO 19 Ca 0.27 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 1rq8 s PRO 19 Cb -0.12 -4.38 0.15 0.00 0.04 0.00 0.00 34.50 30.19 1rq8 s PRO 19 CO 0.19 -2.26 1.58 0.97 0.04 0.00 0.00 177.00 177.52 1rq8 h ILE 20 N 7.17 0.14 -3.95 0.56 -0.00 0.17 -3.43 117.51 118.16 1rq8 h ILE 20 Ca -0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 64.86 64.39 1rq8 h ILE 20 Cb 1.23 0.14 -0.14 0.00 -0.00 0.00 0.00 36.82 38.05 1rq8 h ILE 20 CO 1.01 0.00 -0.43 -0.36 -0.00 0.00 0.00 178.15 178.37 1rq8 s PHE 21 N -5.99 0.34 -0.02 2.19 0.08 -1.25 -5.04 117.98 108.30 1rq8 s PHE 21 Ca -0.14 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.15 1rq8 s PHE 21 Cb 0.17 -0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.43 1rq8 s PHE 21 CO 0.70 -0.56 0.02 1.14 -0.10 0.00 0.00 175.22 176.41 1rq8 s GLN 22 N -3.92 2.88 0.26 0.44 -2.07 -1.26 -2.94 119.66 113.05 1rq8 s GLN 22 Ca 0.10 -0.55 -0.24 0.00 -1.82 0.00 0.00 55.36 52.86 1rq8 s GLN 22 Cb 0.05 -2.73 -0.09 0.00 -1.09 0.00 0.00 33.01 29.15 1rq8 s GLN 22 CO -0.07 0.64 0.85 0.42 -1.32 0.00 0.00 175.29 175.81 1rq8 s ILE 23 N -1.07 4.35 0.57 3.63 -1.09 0.12 -4.95 121.20 122.76 1rq8 s ILE 23 Ca 0.19 1.64 -0.16 0.00 -2.23 0.00 0.00 60.65 60.09 1rq8 s ILE 23 Cb -0.12 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1rq8 s ILE 23 CO 0.09 0.23 1.04 -0.83 -1.23 0.00 0.00 174.94 174.25 1rq8 s GLY 24 N -1.55 2.13 -0.16 6.18 0.00 -1.26 -2.97 107.32 109.68 1rq8 s GLY 24 Ca 0.45 0.36 -0.29 0.00 0.00 0.00 0.00 44.72 45.24 1rq8 s GLY 24 CO 0.24 0.67 1.23 1.25 0.00 0.00 0.00 173.10 176.48 1rq8 s LYS 25 N -4.04 4.25 0.00 2.90 2.20 -1.26 -3.64 119.74 120.15 1rq8 s LYS 25 Ca 0.63 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1rq8 s LYS 25 Cb -0.15 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1rq8 s LYS 25 CO 0.35 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1rq8 n GLY 26 N 3.55 4.52 0.00 5.54 0.00 -1.26 -5.04 105.19 112.49 1rq8 n GLY 26 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 2.79 3.64 -0.02 0.00 -1.24 -5.08 105.19 105.28 1rq8 n GLY 27 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 3.34 -0.14 -0.61 1.01 -1.26 -4.55 121.20 116.98 1rq8 s ILE 28 Ca 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.96 1rq8 s ILE 28 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1rq8 s ILE 28 CO 0.00 -0.10 0.14 0.21 0.00 0.00 0.00 174.94 175.19 1rq8 s ASN 29 N 4.85 6.34 0.20 3.58 2.47 -1.26 -4.99 114.94 126.12 1rq8 s ASN 29 Ca 0.82 0.41 -0.11 0.00 0.42 0.00 0.00 52.86 54.40 1rq8 s ASN 29 Cb -0.34 -2.08 0.21 0.00 -1.45 0.00 0.00 41.25 37.60 1rq8 s ASN 29 CO 0.34 0.35 1.76 -0.08 -3.72 0.00 0.00 177.10 175.75 1rq8 h GLU 30 N 5.42 0.43 -0.72 0.43 4.81 -1.97 -0.05 114.58 122.93 1rq8 h GLU 30 Ca -0.51 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 58.84 1rq8 h GLU 30 Cb 1.21 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.39 1rq8 h GLU 30 CO 0.63 0.28 0.19 -0.91 -0.73 0.00 0.00 179.01 178.47 1rq8 h ASN 31 N 0.44 0.05 -0.32 1.04 4.21 -1.99 2.06 115.58 121.08 1rq8 h ASN 31 Ca 0.27 0.13 -0.04 0.00 1.21 0.00 0.00 56.30 57.87 1rq8 h ASN 31 Cb 0.27 0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 1rq8 h ASN 31 CO -0.24 -0.01 0.08 -0.03 -1.29 0.00 0.00 177.43 175.94 1rq8 h MET 32 N 0.29 0.60 0.00 0.81 4.05 -1.52 -1.45 114.93 117.71 1rq8 h MET 32 Ca 0.40 -0.11 -0.10 0.00 -0.28 0.00 0.00 59.70 59.61 1rq8 h MET 32 Cb 0.66 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1rq8 h MET 32 CO -0.48 0.56 -0.49 0.82 0.23 0.00 0.00 176.91 177.55 1rq8 h ILE 33 N 0.58 0.90 -0.84 1.77 2.04 0.29 -2.95 117.51 119.29 1rq8 h ILE 33 Ca 0.13 -2.10 0.15 0.00 1.00 0.00 0.00 64.86 64.04 1rq8 h ILE 33 Cb 0.24 2.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 1rq8 h ILE 33 CO -0.00 0.48 0.55 0.11 0.00 0.00 0.00 178.15 179.29 1rq8 h LYS 34 N 0.00 0.54 0.19 2.37 1.57 0.39 1.58 116.57 123.21 1rq8 h LYS 34 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1rq8 h LYS 34 Cb 1.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1rq8 h LYS 34 CO 0.06 0.36 -0.09 1.96 -0.57 0.00 0.00 179.45 181.17 1rq8 h GLN 35 N 0.55 -0.25 -0.38 3.15 4.20 -1.47 -3.02 115.11 117.90 1rq8 h GLN 35 Ca 0.42 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.26 1rq8 h GLN 35 Cb 0.82 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1rq8 h GLN 35 CO -0.17 0.13 0.41 0.82 -0.67 0.00 0.00 178.83 179.35 1rq8 h ILE 36 N -0.92 0.39 0.62 2.54 2.04 -1.02 -1.85 117.51 119.31 1rq8 h ILE 36 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1rq8 h ILE 36 Cb 0.49 0.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1rq8 h ILE 36 CO 0.04 0.00 -0.30 -0.78 0.00 0.00 0.00 178.15 177.11 1rq8 h ASP 37 N 0.00 -0.71 -0.61 1.72 1.82 0.24 1.05 116.42 119.93 1rq8 h ASP 37 Ca 0.18 -0.02 0.09 0.00 -0.39 0.00 0.00 57.03 56.89 1rq8 h ASP 37 Cb 0.99 0.18 -0.04 0.00 0.68 0.00 0.00 39.33 41.14 1rq8 h ASP 37 CO -0.00 -0.39 0.41 -0.78 -1.61 0.00 0.00 179.24 176.86 1rq8 h ASP 38 N -1.02 0.40 0.01 2.28 3.58 -1.26 1.13 116.42 121.55 1rq8 h ASP 38 Ca -0.09 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1rq8 h ASP 38 Cb 0.69 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1rq8 h ASP 38 CO 0.14 0.25 -0.00 0.74 -2.88 0.00 0.00 179.24 177.48 1rq8 h THR 39 N 0.45 1.13 0.00 2.25 2.02 -1.28 -2.80 112.91 114.68 1rq8 h THR 39 Ca 0.28 -1.81 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 1rq8 h THR 39 Cb 0.49 2.11 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1rq8 h THR 39 CO -0.08 0.38 -0.09 0.17 0.37 0.00 0.00 175.52 176.26 1rq8 h LEU 40 N -0.99 0.00 -1.23 2.58 8.10 0.14 0.19 115.31 124.10 1rq8 h LEU 40 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1rq8 h LEU 40 Cb 0.63 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1rq8 h LEU 40 CO 0.00 0.09 0.19 -0.08 -4.11 0.00 0.00 178.44 174.53 1rq8 h GLU 41 N 0.00 0.72 0.00 0.17 4.57 0.13 0.29 114.58 120.46 1rq8 h GLU 41 Ca -0.00 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1rq8 h GLU 41 Cb 0.18 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1rq8 h GLU 41 CO 0.01 0.60 -0.02 -0.97 -1.18 0.00 0.00 179.01 177.46 1rq8 h ASN 42 N 0.71 0.00 0.00 1.04 -0.73 -0.34 -3.48 115.58 112.78 1rq8 h ASN 42 Ca 0.17 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1rq8 h ASN 42 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1rq8 h ASN 42 CO -0.01 0.02 0.00 0.54 -0.37 0.00 0.00 177.43 177.60 1rq8 n ARG 43 N -3.18 0.00 0.00 6.67 1.74 0.10 -4.41 116.66 117.59 1rq8 n ARG 43 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1rq8 n ARG 43 Cb 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 1rq8 n ARG 43 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1rq8 n GLU 44 N 0.00 0.00 -3.81 5.56 1.02 -1.20 -4.70 120.64 117.50 1rq8 n GLU 44 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1rq8 n GLU 44 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1rq8 n GLU 44 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1rq8 s LEU 45 N 0.00 3.34 -0.12 -4.62 2.96 -1.26 -2.61 118.68 116.37 1rq8 s LEU 45 Ca 0.00 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1rq8 s LEU 45 Cb 0.00 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1rq8 s LEU 45 CO 0.00 -0.02 -0.12 0.27 -1.32 0.00 0.00 176.35 175.16 1rq8 s ILE 46 N 1.52 3.13 -0.18 6.68 -4.36 -0.51 -4.99 121.20 122.49 1rq8 s ILE 46 Ca 0.06 -0.64 -0.05 0.00 -0.26 0.00 0.00 60.65 59.75 1rq8 s ILE 46 Cb -0.15 -2.31 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1rq8 s ILE 46 CO 0.02 0.53 0.01 -0.54 0.24 0.00 0.00 174.94 175.20 1rq8 s LYS 47 N 0.18 3.76 -0.07 0.37 3.01 -1.26 -1.71 119.74 124.02 1rq8 s LYS 47 Ca -0.07 -0.46 0.03 0.00 -1.01 0.00 0.00 55.97 54.46 1rq8 s LYS 47 Cb -0.15 -3.05 0.01 0.00 -1.01 0.00 0.00 37.83 33.62 1rq8 s LYS 47 CO 0.05 0.19 -0.15 0.08 0.51 0.00 0.00 175.35 176.03 1rq8 s VAL 48 N 0.53 1.34 -0.03 3.17 1.01 0.40 0.19 120.40 127.01 1rq8 s VAL 48 Ca -0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1rq8 s VAL 48 Cb -0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1rq8 s VAL 48 CO 0.02 0.40 0.54 -2.28 0.00 0.00 0.00 175.10 173.77 1rq8 s HIS 49 N 0.51 3.65 -0.22 5.22 2.46 -1.15 0.21 115.29 125.97 1rq8 s HIS 49 Ca -0.14 1.09 -0.08 0.00 0.47 0.00 0.00 55.06 56.40 1rq8 s HIS 49 Cb -0.16 -2.54 -0.04 0.00 -0.13 0.00 0.00 32.58 29.72 1rq8 s HIS 49 CO 0.04 0.36 0.10 0.08 -2.47 0.00 0.00 174.74 172.86 1rq8 s VAL 50 N -0.17 4.84 -1.98 0.89 1.01 -0.48 0.10 120.40 124.61 1rq8 s VAL 50 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1rq8 s VAL 50 Cb -0.17 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1rq8 s VAL 50 CO 0.15 0.38 0.83 0.18 0.00 0.00 0.00 175.10 176.64 1rq8 n LEU 51 N 4.19 0.02 0.07 3.92 7.99 -1.16 -3.27 117.00 128.76 1rq8 n LEU 51 Ca -0.16 -0.01 -0.00 0.00 -0.01 0.00 0.00 56.01 55.83 1rq8 n LEU 51 Cb 0.52 -0.01 -0.05 0.00 -0.11 0.00 0.00 43.42 43.77 1rq8 n LEU 51 CO 0.34 0.00 -0.02 -0.61 -1.51 0.00 0.00 177.39 175.60 1rq8 h GLN 52 N 0.00 0.00 -6.18 3.23 4.15 -1.88 -3.41 115.11 111.03 1rq8 h GLN 52 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 58.97 1rq8 h GLN 52 Cb 0.01 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.71 1rq8 h GLN 52 CO 0.00 0.43 -0.74 -1.71 -1.93 0.00 0.00 178.83 174.88 1rq8 n ASN 53 N -3.05 -5.24 -4.46 -0.69 5.15 -1.20 -4.98 115.26 100.79 1rq8 n ASN 53 Ca -0.05 -0.71 -0.27 0.00 -0.60 0.00 0.00 54.58 52.94 1rq8 n ASN 53 Cb 0.82 -4.21 -0.11 0.00 -0.53 0.00 0.00 39.78 35.75 1rq8 n ASN 53 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1rq8 s ASN 54 N -3.32 3.62 0.00 1.20 2.47 -1.26 -5.01 114.94 112.64 1rq8 s ASN 54 Ca 0.64 -0.79 0.00 0.00 0.42 0.00 0.00 52.86 53.13 1rq8 s ASN 54 Cb -0.31 -0.36 0.00 0.00 -1.45 0.00 0.00 41.25 39.12 1rq8 s ASN 54 CO 0.80 0.12 0.03 0.49 -3.72 0.00 0.00 177.10 174.83 1rq8 n PHE 55 N 0.26 0.00 0.75 0.43 3.01 -1.26 -2.70 117.46 117.95 1rq8 n PHE 55 Ca -0.12 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.42 1rq8 n PHE 55 Cb 0.56 0.00 0.42 0.00 -0.01 0.00 0.00 39.48 40.44 1rq8 n PHE 55 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1rq8 n ASP 56 N -0.25 0.00 -0.01 4.37 -0.08 -1.26 -2.83 116.55 116.50 1rq8 n ASP 56 Ca 0.00 0.22 -0.22 0.00 -1.51 0.00 0.00 54.79 53.28 1rq8 n ASP 56 Cb 0.00 -0.37 -0.14 0.00 2.34 0.00 0.00 41.12 42.95 1rq8 n ASP 56 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1rq8 h ASP 57 N 0.00 0.36 -0.44 1.67 3.58 -2.00 -3.09 116.42 116.49 1rq8 h ASP 57 Ca 0.00 -0.86 -0.04 0.00 0.42 0.00 0.00 57.03 56.55 1rq8 h ASP 57 Cb 0.22 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1rq8 h ASP 57 CO 0.00 1.76 0.15 0.50 -2.88 0.00 0.00 179.24 178.77 1rq8 h LYS 58 N -0.17 0.75 -0.22 0.28 3.11 -1.37 -1.74 116.57 117.21 1rq8 h LYS 58 Ca -0.39 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 57.29 1rq8 h LYS 58 Cb 1.88 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.97 1rq8 h LYS 58 CO 0.04 0.66 0.05 -0.22 -2.81 0.00 0.00 179.45 177.17 1rq8 h LYS 59 N 0.73 0.36 -0.88 1.90 3.64 -1.65 -2.31 116.57 118.36 1rq8 h LYS 59 Ca 0.17 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1rq8 h LYS 59 Cb 0.23 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1rq8 h LYS 59 CO -0.01 0.48 0.57 1.49 -2.27 0.00 0.00 179.45 179.71 1rq8 h GLU 60 N 0.18 0.81 -0.61 1.90 4.81 -1.35 0.22 114.58 120.54 1rq8 h GLU 60 Ca 0.07 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1rq8 h GLU 60 Cb 0.28 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1rq8 h GLU 60 CO 0.00 0.54 0.27 -0.07 -0.73 0.00 0.00 179.01 179.02 1rq8 h LEU 61 N 0.83 0.34 -1.22 1.64 4.07 -0.77 0.22 115.31 120.42 1rq8 h LEU 61 Ca 0.41 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.52 1rq8 h LEU 61 Cb 0.47 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.15 1rq8 h LEU 61 CO -0.18 0.21 0.57 0.00 -1.08 0.00 0.00 178.44 177.96 1rq8 h ALA 62 N 1.38 1.63 -0.98 1.53 0.00 -0.73 0.40 119.26 122.48 1rq8 h ALA 62 Ca 0.29 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.46 1rq8 h ALA 62 Cb 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1rq8 h ALA 62 CO -0.25 0.20 0.68 1.49 0.00 0.00 0.00 179.25 181.37 1rq8 h GLU 63 N 0.88 0.14 0.08 0.00 4.57 -0.26 2.04 114.58 122.03 1rq8 h GLU 63 Ca 0.40 -0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 58.30 1rq8 h GLU 63 Cb 0.37 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1rq8 h GLU 63 CO -0.16 0.09 -1.37 1.15 -1.18 0.00 0.00 179.01 177.54 1rq8 h THR 64 N 0.15 1.32 0.00 0.32 2.02 -0.09 -3.05 112.91 113.58 1rq8 h THR 64 Ca 0.49 -2.99 -0.00 0.00 0.77 0.00 0.00 66.41 64.68 1rq8 h THR 64 Cb 1.68 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 70.86 1rq8 h THR 64 CO -0.09 0.83 -0.00 -0.07 0.37 0.00 0.00 175.52 176.56 1rq8 h LEU 65 N 0.05 0.00 -1.09 2.58 3.38 0.19 -2.26 115.31 118.16 1rq8 h LEU 65 Ca -0.17 -0.76 0.18 0.00 0.09 0.00 0.00 57.88 57.22 1rq8 h LEU 65 Cb 1.95 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.60 1rq8 h LEU 65 CO 0.15 0.88 0.61 0.77 0.09 0.00 0.00 178.44 180.95 1rq8 h SER 66 N -1.00 0.75 0.65 -0.43 4.64 0.27 1.50 113.55 119.92 1rq8 h SER 66 Ca -0.00 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 1rq8 h SER 66 Cb 0.76 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1rq8 h SER 66 CO -0.00 0.29 -0.76 -0.33 -0.87 0.00 0.00 176.83 175.15 1rq8 h GLU 67 N 0.74 0.09 0.00 4.77 4.39 -1.61 -3.01 114.58 119.94 1rq8 h GLU 67 Ca 0.55 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1rq8 h GLU 67 Cb 0.90 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1rq8 h GLU 67 CO -0.33 0.81 -0.80 0.00 -1.16 0.00 0.00 179.01 177.52 1rq8 n ALA 68 N -2.43 3.32 1.22 3.43 0.00 0.29 -3.88 120.51 122.47 1rq8 n ALA 68 Ca -0.02 -0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.20 1rq8 n ALA 68 Cb 0.73 -1.06 0.28 0.00 0.00 0.00 0.00 19.45 19.41 1rq8 n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rq8 n THR 69 N -1.91 0.00 -3.70 0.00 -2.24 0.49 -4.94 114.28 101.98 1rq8 n THR 69 Ca 0.03 -0.33 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1rq8 n THR 69 Cb 0.41 0.95 0.03 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.47 -5.47 -1.94 -0.78 0.63 -1.15 -4.91 116.66 103.52 1rq8 n ARG 70 Ca 0.15 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1rq8 n ARG 70 Cb 0.46 -5.53 0.00 0.00 0.45 0.00 0.00 32.46 27.84 1rq8 n ARG 70 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1rq8 n SER 71 N -2.74 0.58 -3.86 6.15 3.41 -1.18 -4.55 113.62 111.42 1rq8 n SER 71 Ca 0.02 -0.97 -0.27 0.00 -0.26 0.00 0.00 58.87 57.38 1rq8 n SER 71 Cb 0.54 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.33 1rq8 n SER 71 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1rq8 s GLU 72 N -1.91 1.24 -0.34 4.33 8.01 -0.88 -4.76 118.70 124.38 1rq8 s GLU 72 Ca 0.00 -0.43 -0.27 0.00 0.01 0.00 0.00 54.97 54.28 1rq8 s GLU 72 Cb 0.00 -1.89 -0.05 0.00 -4.31 0.00 0.00 34.13 27.87 1rq8 s GLU 72 CO 0.00 -0.44 2.21 -1.17 0.01 0.00 0.00 175.26 175.87 1rq8 s LEU 73 N 1.70 3.43 0.14 1.80 0.20 -1.26 -1.75 118.68 122.94 1rq8 s LEU 73 Ca 0.01 1.48 -0.12 0.00 0.69 0.00 0.00 54.13 56.19 1rq8 s LEU 73 Cb -0.15 -3.15 -0.02 0.00 -0.43 0.00 0.00 46.19 42.45 1rq8 s LEU 73 CO -0.07 -2.24 1.53 -0.37 -0.29 0.00 0.00 176.35 174.90 1rq8 h VAL 74 N 7.27 1.28 0.00 1.68 -1.51 -1.31 -3.48 116.25 120.17 1rq8 h VAL 74 Ca -0.34 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 1rq8 h VAL 74 Cb 1.23 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1rq8 h VAL 74 CO 1.04 0.44 0.00 1.67 -1.23 0.00 0.00 177.57 179.50 1rq8 n GLN 75 N -4.23 -1.90 -5.03 5.19 7.27 -0.98 -4.83 117.38 112.88 1rq8 n GLN 75 Ca -0.01 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.77 1rq8 n GLN 75 Cb 0.42 0.00 -0.17 0.00 2.41 0.00 0.00 30.24 32.90 1rq8 n GLN 75 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1rq8 s VAL 76 N -2.59 1.75 -0.55 1.69 1.01 -1.26 0.26 120.40 120.70 1rq8 s VAL 76 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1rq8 s VAL 76 Cb 0.00 -1.51 0.14 0.00 0.00 0.00 0.00 36.38 35.00 1rq8 s VAL 76 CO 0.00 0.49 0.50 -0.63 0.00 0.00 0.00 175.10 175.47 1rq8 s ILE 77 N 0.24 5.14 0.00 2.22 1.01 0.49 -4.89 121.20 125.42 1rq8 s ILE 77 Ca -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1rq8 s ILE 77 Cb -0.15 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1rq8 s ILE 77 CO 0.06 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.73 1rq8 n GLY 78 N 5.13 0.48 1.55 6.18 0.00 -1.26 0.13 105.19 117.40 1rq8 n GLY 78 Ca -0.12 0.75 0.10 0.00 0.00 0.00 0.00 46.02 46.76 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 5.12 4.57 -4.37 1.61 7.64 -1.26 -4.93 113.62 121.99 1rq8 n SER 79 Ca 0.00 -2.30 -0.26 0.00 1.01 0.00 0.00 58.87 57.32 1rq8 n SER 79 Cb 0.00 -0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.52 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 -1.57 1.36 -0.10 1.43 1.00 0.36 -1.38 119.30 120.39 1rq8 s MET 80 Ca 0.51 -1.39 -0.00 0.00 0.00 0.00 0.00 55.69 54.82 1rq8 s MET 80 Cb 0.31 -1.65 -0.02 0.00 0.00 0.00 0.00 34.83 33.47 1rq8 s MET 80 CO 0.28 0.37 -0.09 0.42 0.00 0.00 0.00 175.02 176.00 1rq8 s ILE 81 N -1.52 3.49 -0.36 2.53 1.01 0.56 0.19 121.20 127.10 1rq8 s ILE 81 Ca 0.15 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 1rq8 s ILE 81 Cb -0.08 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.96 1rq8 s ILE 81 CO 0.07 0.55 0.17 -0.69 0.00 0.00 0.00 174.94 175.04 1rq8 s VAL 82 N -0.23 4.32 0.03 2.92 1.01 0.73 -0.45 120.40 128.73 1rq8 s VAL 82 Ca 0.02 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1rq8 s VAL 82 Cb -0.13 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1rq8 s VAL 82 CO 0.03 -0.20 -0.22 -0.63 0.00 0.00 0.00 175.10 174.08 1rq8 s ILE 83 N 1.51 1.80 -0.27 2.22 1.01 -0.69 -0.80 121.20 125.98 1rq8 s ILE 83 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1rq8 s ILE 83 Cb -0.19 -1.54 0.05 0.00 0.01 0.00 0.00 42.46 40.78 1rq8 s ILE 83 CO 0.05 0.31 -0.06 -0.47 0.00 0.00 0.00 174.94 174.77 1rq8 s TYR 84 N -0.74 3.20 -0.37 3.97 5.04 -0.71 -1.43 117.35 126.31 1rq8 s TYR 84 Ca 0.09 -1.96 -0.22 0.00 -2.44 0.00 0.00 57.07 52.53 1rq8 s TYR 84 Cb -0.09 -2.03 0.01 0.00 0.35 0.00 0.00 41.96 40.20 1rq8 s TYR 84 CO 0.01 -0.82 0.74 0.50 -1.34 0.00 0.00 175.55 174.64 1rq8 s ARG 85 N 1.21 3.68 0.00 4.97 3.52 -1.07 -2.08 118.95 129.18 1rq8 s ARG 85 Ca -0.05 0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 1rq8 s ARG 85 Cb -0.19 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 1rq8 s ARG 85 CO -0.04 -0.85 0.00 -0.85 -0.81 0.00 0.00 175.30 172.75 1rq8 n GLU 86 N 6.34 0.00 -4.31 5.12 0.28 -1.26 -3.26 120.64 123.55 1rq8 n GLU 86 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.82 1rq8 n GLU 86 Cb 0.48 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.22 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 0.00 1.54 0.28 -1.84 0.01 -1.26 -4.31 113.70 108.12 1rq8 s SER 87 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1rq8 s SER 87 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1rq8 s SER 87 CO 0.00 0.01 0.00 1.17 0.41 0.00 0.00 173.24 174.83 1rq8 n LYS 88 N 1.89 0.00 -3.40 12.44 0.00 -1.26 -4.99 118.16 122.84 1rq8 n LYS 88 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.74 1rq8 n LYS 88 Cb 0.55 0.00 -0.08 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 -1.60 4.13 -0.81 1.64 -6.30 -1.26 -4.95 118.70 109.54 1rq8 s GLU 89 Ca 0.00 0.14 -0.28 0.00 -2.50 0.00 0.00 54.97 52.33 1rq8 s GLU 89 Cb 0.00 -3.57 -0.27 0.00 0.00 0.00 0.00 34.13 30.29 1rq8 s GLU 89 CO 0.00 -0.09 1.98 0.27 0.02 0.00 0.00 175.26 177.44 1rq8 n ASN 90 N 4.68 1.30 -4.93 -1.70 6.94 -1.26 -4.82 115.26 115.46 1rq8 n ASN 90 Ca -0.09 -2.50 -0.25 0.00 -0.02 0.00 0.00 54.58 51.72 1rq8 n ASN 90 Cb 0.51 -1.42 -0.01 0.00 -2.36 0.00 0.00 39.78 36.50 1rq8 n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1rq8 s LYS 91 N 8.08 3.51 -0.53 -3.83 2.20 -1.26 -4.91 119.74 123.00 1rq8 s LYS 91 Ca 0.78 -0.24 -0.26 0.00 -0.36 0.00 0.00 55.97 55.89 1rq8 s LYS 91 Cb 0.00 -2.64 -0.25 0.00 -1.51 0.00 0.00 37.83 33.43 1rq8 s LYS 91 CO 0.23 0.14 1.81 -1.91 -0.36 0.00 0.00 175.35 175.25 1rq8 n GLU 92 N -1.65 0.78 -4.61 4.03 2.13 -1.26 -4.83 120.64 115.22 1rq8 n GLU 92 Ca -0.04 -1.55 -0.34 0.00 0.66 0.00 0.00 57.16 55.89 1rq8 n GLU 92 Cb 0.56 -2.92 -0.12 0.00 0.27 0.00 0.00 31.44 29.22 1rq8 n GLU 92 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1rq8 s ILE 93 N 7.53 3.61 0.11 6.31 -1.09 -1.26 -5.07 121.20 131.33 1rq8 s ILE 93 Ca 0.65 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1rq8 s ILE 93 Cb 0.11 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 1rq8 s ILE 93 CO 0.22 0.56 0.12 -0.70 -1.23 0.00 0.00 174.94 173.91 1rq8 s GLU 94 N -0.33 2.97 -0.33 2.79 2.12 -1.26 -5.03 118.70 119.62 1rq8 s GLU 94 Ca 0.04 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.65 1rq8 s GLU 94 Cb -0.13 -2.74 0.30 0.00 0.26 0.00 0.00 34.13 31.82 1rq8 s GLU 94 CO 0.02 0.54 1.29 -0.11 -0.54 0.00 0.00 175.26 176.46 1rq8 n LEU 95 N 0.09 -1.32 0.00 2.70 7.94 -1.26 -4.62 117.00 120.53 1rq8 n LEU 95 Ca -0.08 -1.88 0.12 0.00 -1.11 0.00 0.00 56.01 53.06 1rq8 n LEU 95 Cb 0.53 0.74 0.70 0.00 0.53 0.00 0.00 43.42 45.92 1rq8 n LEU 95 CO 0.45 1.60 0.88 -0.81 -1.11 0.00 0.00 177.39 178.40