#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 2.48 0.39 4.03 0.20 -1.26 -5.06 118.68 119.47 1rq8 s LEU 2 Ca 0.00 -0.35 0.08 0.00 0.69 0.00 0.00 54.13 54.55 1rq8 s LEU 2 Cb 0.00 -1.47 -0.07 0.00 -0.43 0.00 0.00 46.19 44.22 1rq8 s LEU 2 CO 0.00 0.31 0.05 0.28 -0.29 0.00 0.00 176.35 176.70 1rq8 s THR 3 N -0.75 2.21 0.14 3.68 -1.32 -1.26 -4.95 115.64 113.40 1rq8 s THR 3 Ca 0.12 -1.92 -0.30 0.00 -1.21 0.00 0.00 61.69 58.37 1rq8 s THR 3 Cb -0.10 -2.93 -0.09 0.00 -1.51 0.00 0.00 72.50 67.87 1rq8 s THR 3 CO 0.01 -0.05 1.51 1.23 -2.21 0.00 0.00 174.62 175.12 1rq8 h GLY 4 N 1.70 -1.01 1.35 6.08 0.00 -2.00 0.72 103.07 109.91 1rq8 h GLY 4 Ca -0.43 0.77 0.03 0.00 0.00 0.00 0.00 47.33 47.70 1rq8 h GLY 4 CO 0.74 -0.08 0.37 1.70 0.00 0.00 0.00 176.54 179.28 1rq8 h LYS 5 N -0.19 0.65 -0.44 4.80 1.63 -1.96 -2.12 116.57 118.93 1rq8 h LYS 5 Ca 0.11 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 1rq8 h LYS 5 Cb 0.48 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1rq8 h LYS 5 CO -0.72 0.43 -0.01 1.96 -3.45 0.00 0.00 179.45 177.66 1rq8 h GLN 6 N 0.67 0.78 -0.44 1.90 4.20 -1.10 -2.99 115.11 118.13 1rq8 h GLN 6 Ca 0.22 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1rq8 h GLN 6 Cb 0.07 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1rq8 h GLN 6 CO -0.06 0.85 0.25 -0.22 -0.67 0.00 0.00 178.83 178.99 1rq8 h LYS 7 N 0.62 0.49 -0.06 1.46 3.11 -0.39 -1.61 116.57 120.19 1rq8 h LYS 7 Ca 0.12 -0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.97 1rq8 h LYS 7 Cb 0.50 -0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.57 1rq8 h LYS 7 CO 0.02 0.33 -0.33 -0.09 -2.81 0.00 0.00 179.45 176.57 1rq8 h ARG 8 N 0.51 -0.42 0.45 1.90 9.65 -1.29 1.58 114.38 126.75 1rq8 h ARG 8 Ca 0.18 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1rq8 h ARG 8 Cb 0.03 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1rq8 h ARG 8 CO -0.09 -0.28 -0.21 1.88 2.80 0.00 0.00 179.97 184.06 1rq8 h TYR 9 N -0.44 -0.56 -0.15 2.20 -1.99 -1.47 -3.03 116.97 111.54 1rq8 h TYR 9 Ca 0.08 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 1rq8 h TYR 9 Cb 0.56 0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 1rq8 h TYR 9 CO -0.38 -0.29 -0.19 1.25 -0.00 0.00 0.00 178.16 178.55 1rq8 h LEU 10 N -0.71 0.25 -1.24 3.88 6.46 -1.11 -2.53 115.31 120.32 1rq8 h LEU 10 Ca -0.06 -0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1rq8 h LEU 10 Cb 0.52 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1rq8 h LEU 10 CO 0.10 0.46 0.56 -0.09 -0.62 0.00 0.00 178.44 178.85 1rq8 h ARG 11 N 0.24 0.85 0.04 1.25 1.12 0.24 -1.18 114.38 116.94 1rq8 h ARG 11 Ca 0.04 -0.05 -0.22 0.00 -1.11 0.00 0.00 59.98 58.64 1rq8 h ARG 11 Cb 0.48 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 1rq8 h ARG 11 CO 0.03 0.56 -1.00 0.77 -3.11 0.00 0.00 179.97 177.22 1rq8 h SER 12 N 0.87 0.32 -0.06 -3.80 0.02 -1.39 -3.26 113.55 106.26 1rq8 h SER 12 Ca 0.39 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1rq8 h SER 12 Cb 0.35 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1rq8 h SER 12 CO -0.15 1.14 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.55 1rq8 h LEU 13 N 0.11 -0.16 -0.59 5.07 -0.00 -0.91 -1.60 115.31 117.23 1rq8 h LEU 13 Ca -0.07 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1rq8 h LEU 13 Cb 1.67 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.41 1rq8 h LEU 13 CO 0.16 -0.07 0.00 0.00 -0.00 0.00 0.00 178.44 178.52 1rq8 n ALA 14 N -2.28 1.49 -0.06 1.53 0.00 -0.97 -3.13 120.51 117.10 1rq8 n ALA 14 Ca -0.05 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1rq8 n ALA 14 Cb 0.10 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 1rq8 n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rq8 h HIS 15 N 0.00 0.49 -0.00 0.00 2.76 -1.33 -3.03 115.15 114.04 1rq8 h HIS 15 Ca 0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1rq8 h HIS 15 Cb 0.24 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1rq8 h HIS 15 CO 0.00 0.80 0.00 -1.71 -1.30 0.00 0.00 177.93 175.72 1rq8 n ASN 16 N -4.50 0.12 -4.97 3.26 2.85 -1.18 -4.84 115.26 105.99 1rq8 n ASN 16 Ca -0.06 -1.06 -0.20 0.00 -0.11 0.00 0.00 54.58 53.15 1rq8 n ASN 16 Cb 0.39 -0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.44 1rq8 n ASN 16 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1rq8 s ILE 17 N -2.00 2.73 -0.03 -1.44 1.01 -1.15 -5.10 121.20 115.22 1rq8 s ILE 17 Ca 0.46 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1rq8 s ILE 17 Cb 0.21 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1rq8 s ILE 17 CO 0.36 0.00 -0.03 -1.81 0.00 0.00 0.00 174.94 173.46 1rq8 s ASP 18 N -4.43 4.90 0.22 3.58 1.11 -1.26 -5.02 116.67 115.77 1rq8 s ASP 18 Ca 0.57 -0.01 -0.30 0.00 0.18 0.00 0.00 52.55 52.99 1rq8 s ASP 18 Cb -0.10 -1.26 -0.08 0.00 1.07 0.00 0.00 42.92 42.55 1rq8 s ASP 18 CO 0.37 0.32 1.13 -2.16 1.18 0.00 0.00 175.17 176.01 1rq8 s PRO 19 N -1.19 4.58 -0.00 8.23 0.04 -1.24 -4.78 135.00 140.63 1rq8 s PRO 19 Ca 0.16 1.80 0.07 0.00 0.04 0.00 0.00 61.00 63.06 1rq8 s PRO 19 Cb -0.11 -3.23 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 1rq8 s PRO 19 CO 0.06 0.07 0.29 0.44 0.04 0.00 0.00 177.00 177.90 1rq8 n ILE 20 N 1.99 0.00 -4.71 0.56 -0.00 -1.26 -4.93 119.36 111.02 1rq8 n ILE 20 Ca 0.02 -0.33 -0.33 0.00 -0.00 0.00 0.00 62.75 62.11 1rq8 n ILE 20 Cb 0.45 0.97 -0.12 0.00 -0.00 0.00 0.00 39.64 40.94 1rq8 n ILE 20 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 1rq8 s PHE 21 N -1.69 2.85 -0.12 4.28 -0.12 -1.26 -5.04 117.98 116.89 1rq8 s PHE 21 Ca 0.02 -0.19 0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1rq8 s PHE 21 Cb 0.05 -1.74 -0.02 0.00 -0.63 0.00 0.00 43.02 40.69 1rq8 s PHE 21 CO 0.29 0.15 -0.14 -1.14 -0.05 0.00 0.00 175.22 174.32 1rq8 s GLN 22 N -0.43 3.25 0.09 1.99 0.74 -1.26 -3.15 119.66 120.87 1rq8 s GLN 22 Ca 0.06 -0.70 -0.18 0.00 0.05 0.00 0.00 55.36 54.59 1rq8 s GLN 22 Cb -0.12 -2.58 -0.07 0.00 1.10 0.00 0.00 33.01 31.34 1rq8 s GLN 22 CO 0.02 0.27 0.55 0.42 -0.55 0.00 0.00 175.29 176.00 1rq8 s ILE 23 N 0.20 4.79 0.45 -2.34 -1.09 -0.62 -4.88 121.20 117.71 1rq8 s ILE 23 Ca -0.08 1.09 -0.15 0.00 -2.23 0.00 0.00 60.65 59.28 1rq8 s ILE 23 Cb -0.15 -3.84 -0.08 0.00 -1.58 0.00 0.00 42.46 36.81 1rq8 s ILE 23 CO 0.05 0.48 0.88 -0.83 -1.23 0.00 0.00 174.94 174.29 1rq8 s GLY 24 N -1.26 2.08 0.21 6.18 0.00 -1.26 -2.88 107.32 110.40 1rq8 s GLY 24 Ca 0.31 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.78 1rq8 s GLY 24 CO 0.18 0.30 1.35 1.25 0.00 0.00 0.00 173.10 176.18 1rq8 s LYS 25 N -3.79 4.35 0.00 2.90 2.20 -1.25 -3.59 119.74 120.55 1rq8 s LYS 25 Ca 0.56 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 1rq8 s LYS 25 Cb -0.10 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1rq8 s LYS 25 CO 0.28 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 1rq8 n GLY 26 N 2.33 3.64 0.00 5.54 0.00 -1.26 -5.04 105.19 110.40 1rq8 n GLY 26 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 2.24 3.64 -0.02 0.00 -1.24 -5.09 105.19 104.72 1rq8 n GLY 27 Ca 0.00 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 3.77 0.17 -0.61 1.01 -1.26 -4.59 121.20 117.69 1rq8 s ILE 28 Ca 0.00 0.89 0.01 0.00 0.00 0.00 0.00 60.65 61.55 1rq8 s ILE 28 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1rq8 s ILE 28 CO 0.00 -0.26 0.32 0.21 0.00 0.00 0.00 174.94 175.22 1rq8 s ASN 29 N 3.76 6.36 0.31 3.58 2.47 -1.26 -4.97 114.94 125.18 1rq8 s ASN 29 Ca 0.69 0.25 0.04 0.00 0.42 0.00 0.00 52.86 54.26 1rq8 s ASN 29 Cb -0.25 -1.95 0.66 0.00 -1.45 0.00 0.00 41.25 38.26 1rq8 s ASN 29 CO 0.27 0.02 1.84 -0.08 -3.72 0.00 0.00 177.10 175.43 1rq8 h GLU 30 N 2.08 0.85 -0.99 0.43 4.81 -1.98 0.23 114.58 120.02 1rq8 h GLU 30 Ca -0.48 -0.05 0.18 0.00 -0.13 0.00 0.00 59.36 58.87 1rq8 h GLU 30 Cb 1.19 -0.19 -0.10 0.00 0.63 0.00 0.00 28.75 30.29 1rq8 h GLU 30 CO 0.68 0.56 0.61 -0.91 -0.73 0.00 0.00 179.01 179.23 1rq8 h ASN 31 N 0.87 0.76 -0.20 1.04 2.35 -1.99 1.74 115.58 120.16 1rq8 h ASN 31 Ca 0.49 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 56.22 1rq8 h ASN 31 Cb 0.61 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1rq8 h ASN 31 CO -0.26 0.31 -0.26 0.24 -1.65 0.00 0.00 177.43 175.81 1rq8 h MET 32 N 0.77 0.53 0.00 0.81 2.86 -0.94 -2.90 114.93 116.06 1rq8 h MET 32 Ca 0.54 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1rq8 h MET 32 Cb 0.84 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1rq8 h MET 32 CO -0.32 0.90 -0.32 0.82 1.06 0.00 0.00 176.91 179.05 1rq8 h ILE 33 N 0.20 0.97 -0.26 -1.22 2.04 0.30 -1.34 117.51 118.20 1rq8 h ILE 33 Ca 0.02 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.72 1rq8 h ILE 33 Cb 0.83 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 1rq8 h ILE 33 CO 0.06 0.31 0.01 0.11 0.00 0.00 0.00 178.15 178.65 1rq8 h LYS 34 N 0.00 0.09 0.14 2.37 1.57 0.27 1.59 116.57 122.60 1rq8 h LYS 34 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1rq8 h LYS 34 Cb 0.67 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1rq8 h LYS 34 CO 0.04 0.06 -0.07 0.37 -0.57 0.00 0.00 179.45 179.29 1rq8 h GLN 35 N 0.09 -0.18 -0.98 3.15 4.15 -1.45 -3.11 115.11 116.78 1rq8 h GLN 35 Ca 0.12 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.72 1rq8 h GLN 35 Cb 0.15 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.79 1rq8 h GLN 35 CO -0.19 0.27 0.61 0.82 -1.93 0.00 0.00 178.83 178.41 1rq8 h ILE 36 N -0.74 0.78 0.32 2.39 2.04 -1.01 -1.32 117.51 119.98 1rq8 h ILE 36 Ca -0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1rq8 h ILE 36 Cb 0.53 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1rq8 h ILE 36 CO 0.03 0.14 -0.44 -0.78 0.00 0.00 0.00 178.15 177.11 1rq8 h ASP 37 N 0.79 -1.23 -0.10 1.72 3.58 0.24 0.16 116.42 121.58 1rq8 h ASP 37 Ca 0.53 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 58.02 1rq8 h ASP 37 Cb 0.79 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 1rq8 h ASP 37 CO -0.30 -0.56 -0.16 -0.78 -2.88 0.00 0.00 179.24 174.55 1rq8 h ASP 38 N -0.81 0.46 0.26 2.28 1.82 -1.39 0.37 116.42 119.40 1rq8 h ASP 38 Ca -0.02 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.48 1rq8 h ASP 38 Cb 0.75 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1rq8 h ASP 38 CO -0.13 0.64 -0.13 0.74 -1.61 0.00 0.00 179.24 178.76 1rq8 h THR 39 N 0.43 0.78 0.00 2.25 2.02 -0.78 -2.85 112.91 114.77 1rq8 h THR 39 Ca 0.08 -0.32 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 1rq8 h THR 39 Cb 0.54 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1rq8 h THR 39 CO 0.03 0.07 -0.83 0.17 0.37 0.00 0.00 175.52 175.33 1rq8 h LEU 40 N -0.52 0.11 -2.00 2.58 8.10 -0.62 -2.39 115.31 120.57 1rq8 h LEU 40 Ca -0.04 -0.09 0.11 0.00 0.11 0.00 0.00 57.88 57.98 1rq8 h LEU 40 Cb 0.38 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.55 1rq8 h LEU 40 CO 0.06 0.89 0.28 -0.08 -4.11 0.00 0.00 178.44 175.48 1rq8 h GLU 41 N 0.05 0.00 0.00 0.17 4.22 -0.20 -1.85 114.58 116.96 1rq8 h GLU 41 Ca -0.02 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.21 1rq8 h GLU 41 Cb 1.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1rq8 h GLU 41 CO 0.12 0.00 -2.07 0.09 -2.18 0.00 0.00 179.01 174.97 1rq8 n ASN 42 N -4.42 0.17 -5.02 1.04 4.13 -1.08 -4.97 115.26 105.11 1rq8 n ASN 42 Ca 0.06 0.07 -0.18 0.00 1.68 0.00 0.00 54.58 56.21 1rq8 n ASN 42 Cb 0.47 1.18 0.03 0.00 -1.54 0.00 0.00 39.78 39.92 1rq8 n ASN 42 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1rq8 s ARG 43 N -2.93 2.60 -0.15 3.52 3.00 -0.70 -5.06 118.95 119.24 1rq8 s ARG 43 Ca -0.08 -1.42 0.01 0.00 0.00 0.00 0.00 55.73 54.24 1rq8 s ARG 43 Cb 0.09 -2.70 -0.10 0.00 0.00 0.00 0.00 34.95 32.24 1rq8 s ARG 43 CO 0.85 -0.52 -0.13 0.39 0.00 0.00 0.00 175.30 175.90 1rq8 n GLU 44 N -2.01 0.40 -3.82 3.54 -0.58 -1.26 -4.72 120.64 112.20 1rq8 n GLU 44 Ca 0.11 0.09 -0.36 0.00 -0.42 0.00 0.00 57.16 56.58 1rq8 n GLU 44 Cb 0.60 -1.30 -0.13 0.00 -0.57 0.00 0.00 31.44 30.04 1rq8 n GLU 44 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1rq8 s LEU 45 N -5.86 3.27 -0.22 -4.62 2.96 -1.26 -0.38 118.68 112.56 1rq8 s LEU 45 Ca -0.20 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1rq8 s LEU 45 Cb 0.05 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.91 1rq8 s LEU 45 CO 0.35 -0.02 -0.13 0.27 -1.32 0.00 0.00 176.35 175.49 1rq8 s ILE 46 N 1.54 2.33 -0.48 6.68 -4.36 -0.10 -5.00 121.20 121.81 1rq8 s ILE 46 Ca 0.06 -1.17 -0.16 0.00 -0.26 0.00 0.00 60.65 59.12 1rq8 s ILE 46 Cb -0.15 -2.16 0.08 0.00 1.25 0.00 0.00 42.46 41.48 1rq8 s ILE 46 CO 0.01 0.27 0.41 -1.59 0.24 0.00 0.00 174.94 174.29 1rq8 s LYS 47 N 1.24 2.99 -0.01 0.37 0.00 -1.25 -1.86 119.74 121.21 1rq8 s LYS 47 Ca -0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 55.97 54.59 1rq8 s LYS 47 Cb -0.16 -4.14 -0.04 0.00 0.00 0.00 0.00 37.83 33.49 1rq8 s LYS 47 CO -0.08 -1.05 0.13 0.08 0.00 0.00 0.00 175.35 174.43 1rq8 s VAL 48 N 1.68 5.11 -0.10 1.79 1.01 0.57 -3.66 120.40 126.80 1rq8 s VAL 48 Ca 0.04 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1rq8 s VAL 48 Cb -0.24 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1rq8 s VAL 48 CO 0.07 0.35 0.32 -2.28 0.00 0.00 0.00 175.10 173.56 1rq8 s HIS 49 N -1.25 3.56 -0.13 5.22 2.46 -1.19 0.21 115.29 124.18 1rq8 s HIS 49 Ca 0.25 0.73 -0.01 0.00 0.47 0.00 0.00 55.06 56.50 1rq8 s HIS 49 Cb -0.12 -2.29 -0.02 0.00 -0.13 0.00 0.00 32.58 30.02 1rq8 s HIS 49 CO 0.16 0.42 -0.11 0.08 -2.47 0.00 0.00 174.74 172.82 1rq8 s VAL 50 N -0.17 3.25 -0.09 0.89 1.01 0.16 -1.59 120.40 123.86 1rq8 s VAL 50 Ca 0.19 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1rq8 s VAL 50 Cb -0.14 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 33.95 1rq8 s VAL 50 CO 0.07 0.53 1.74 0.18 0.00 0.00 0.00 175.10 177.62 1rq8 n LEU 51 N 3.37 5.05 -0.09 3.92 7.99 -1.14 -4.05 117.00 132.06 1rq8 n LEU 51 Ca -0.18 -2.43 -0.12 0.00 -0.01 0.00 0.00 56.01 53.28 1rq8 n LEU 51 Cb 0.53 -0.94 -0.15 0.00 -0.11 0.00 0.00 43.42 42.75 1rq8 n LEU 51 CO 0.31 0.93 -1.07 1.67 -1.51 0.00 0.00 177.39 177.71 1rq8 n GLN 52 N 0.86 0.68 -2.51 3.23 -0.06 -1.26 -3.87 117.38 114.44 1rq8 n GLN 52 Ca 0.09 0.08 -0.17 0.00 -2.00 0.00 0.00 57.00 55.01 1rq8 n GLN 52 Cb 0.57 -1.58 -0.00 0.00 -4.06 0.00 0.00 30.24 25.17 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 -2.92 -4.77 -4.37 1.69 2.85 -1.26 -4.96 115.26 101.53 1rq8 n ASN 53 Ca -0.32 0.06 -0.21 0.00 -0.11 0.00 0.00 54.58 53.99 1rq8 n ASN 53 Cb 1.11 -3.99 -0.10 0.00 1.24 0.00 0.00 39.78 38.03 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 -2.12 2.84 -0.01 1.20 3.84 -1.26 -5.06 114.94 114.37 1rq8 s ASN 54 Ca 0.04 -0.97 -0.00 0.00 0.21 0.00 0.00 52.86 52.14 1rq8 s ASN 54 Cb -0.02 -0.18 -0.00 0.00 -0.55 0.00 0.00 41.25 40.50 1rq8 s ASN 54 CO 0.05 -0.07 -0.01 0.15 -2.79 0.00 0.00 177.10 174.43 1rq8 h PHE 55 N 2.75 0.00 0.00 0.43 3.57 -1.96 -3.00 116.94 118.73 1rq8 h PHE 55 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1rq8 h PHE 55 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1rq8 h PHE 55 CO 0.72 0.00 0.00 -0.25 -2.23 0.00 0.00 178.31 176.55 1rq8 n ASP 56 N -2.29 0.00 -0.02 0.41 8.00 -1.26 -2.49 116.55 118.90 1rq8 n ASP 56 Ca -0.00 0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.55 1rq8 n ASP 56 Cb 0.01 -0.37 -0.14 0.00 -0.02 0.00 0.00 41.12 40.60 1rq8 n ASP 56 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rq8 n ASP 57 N -1.37 2.10 -0.31 -2.24 2.03 -1.26 -3.01 116.55 112.48 1rq8 n ASP 57 Ca 0.05 0.15 0.05 0.00 0.52 0.00 0.00 54.79 55.56 1rq8 n ASP 57 Cb 0.12 -0.79 0.24 0.00 -0.72 0.00 0.00 41.12 39.98 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 0.05 0.99 -0.10 -0.67 1.63 -1.33 0.84 116.57 117.97 1rq8 h LYS 58 Ca -0.45 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.25 1rq8 h LYS 58 Cb 2.01 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 33.41 1rq8 h LYS 58 CO 0.05 0.65 -0.08 -0.22 -3.45 0.00 0.00 179.45 176.41 1rq8 h LYS 59 N 1.02 0.23 -0.89 1.90 3.64 -1.68 -2.79 116.57 118.00 1rq8 h LYS 59 Ca 0.41 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1rq8 h LYS 59 Cb 0.26 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1rq8 h LYS 59 CO -0.16 0.63 0.48 0.93 -2.27 0.00 0.00 179.45 179.06 1rq8 h GLU 60 N -0.16 1.25 -0.75 1.90 5.08 -1.22 -2.13 114.58 118.56 1rq8 h GLU 60 Ca 0.02 -0.15 0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1rq8 h GLU 60 Cb 0.57 -0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1rq8 h GLU 60 CO 0.02 0.92 0.34 -0.07 -1.00 0.00 0.00 179.01 179.22 1rq8 h LEU 61 N 1.25 0.40 -1.74 1.33 4.07 0.78 0.54 115.31 121.94 1rq8 h LEU 61 Ca 0.31 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.36 1rq8 h LEU 61 Cb 0.04 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1rq8 h LEU 61 CO -0.05 0.19 0.14 0.00 -1.08 0.00 0.00 178.44 177.64 1rq8 h ALA 62 N 1.50 1.80 -0.78 1.53 0.00 -1.12 0.66 119.26 122.85 1rq8 h ALA 62 Ca 0.39 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.43 1rq8 h ALA 62 Cb 0.52 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1rq8 h ALA 62 CO -0.34 0.17 0.52 1.49 0.00 0.00 0.00 179.25 181.09 1rq8 h GLU 63 N 0.32 0.43 0.17 0.00 4.22 0.30 1.77 114.58 121.78 1rq8 h GLU 63 Ca 0.08 -0.03 -0.33 0.00 0.08 0.00 0.00 59.36 59.17 1rq8 h GLU 63 Cb -0.00 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1rq8 h GLU 63 CO -0.02 0.28 -1.60 1.15 -2.18 0.00 0.00 179.01 176.64 1rq8 h THR 64 N 0.44 1.10 0.06 0.32 2.02 -0.76 -3.07 112.91 113.02 1rq8 h THR 64 Ca 0.39 -2.67 -0.00 0.00 0.77 0.00 0.00 66.41 64.89 1rq8 h THR 64 Cb 0.87 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1rq8 h THR 64 CO -0.13 0.84 -0.03 -0.07 0.37 0.00 0.00 175.52 176.49 1rq8 h LEU 65 N 0.10 -0.07 -0.77 2.58 3.38 0.51 -1.90 115.31 119.14 1rq8 h LEU 65 Ca -0.28 -0.56 0.14 0.00 0.09 0.00 0.00 57.88 57.27 1rq8 h LEU 65 Cb 2.08 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.76 1rq8 h LEU 65 CO 0.19 0.59 0.34 0.28 0.09 0.00 0.00 178.44 179.93 1rq8 h SER 66 N -0.82 0.35 -0.15 -0.43 0.02 0.24 1.49 113.55 114.25 1rq8 h SER 66 Ca -0.01 0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 1rq8 h SER 66 Cb 0.63 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1rq8 h SER 66 CO 0.01 0.14 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.17 1rq8 h GLU 67 N 0.49 0.65 0.00 3.45 4.39 -1.59 -2.75 114.58 119.23 1rq8 h GLU 67 Ca 0.42 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1rq8 h GLU 67 Cb 0.63 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1rq8 h GLU 67 CO -0.39 0.90 -0.53 0.00 -1.16 0.00 0.00 179.01 177.84 1rq8 n ALA 68 N -2.51 3.01 1.16 3.43 0.00 -0.23 -3.73 120.51 121.65 1rq8 n ALA 68 Ca -0.01 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.30 1rq8 n ALA 68 Cb 0.49 -1.19 0.25 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.93 0.00 -1.94 0.00 -2.24 0.50 -4.92 114.28 103.74 1rq8 n THR 69 Ca 0.04 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1rq8 n THR 69 Cb 0.41 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1rq8 n THR 69 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rq8 n ARG 70 N -0.46 -1.73 -1.14 -0.78 1.74 -1.05 -4.92 116.66 108.33 1rq8 n ARG 70 Ca 0.11 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1rq8 n ARG 70 Cb 0.39 -5.18 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 1rq8 n ARG 70 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1rq8 n SER 71 N -1.22 1.45 -3.90 0.55 7.64 -1.23 -4.06 113.62 112.85 1rq8 n SER 71 Ca -0.15 -0.66 -0.28 0.00 1.01 0.00 0.00 58.87 58.79 1rq8 n SER 71 Cb 0.54 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.58 1rq8 n SER 71 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1rq8 s GLU 72 N -0.79 1.50 -0.25 1.43 0.41 0.20 -4.85 118.70 116.35 1rq8 s GLU 72 Ca 0.00 -0.56 -0.28 0.00 -0.41 0.00 0.00 54.97 53.73 1rq8 s GLU 72 Cb 0.00 -2.06 -0.05 0.00 -1.78 0.00 0.00 34.13 30.24 1rq8 s GLU 72 CO 0.00 -0.43 2.22 -1.17 -0.49 0.00 0.00 175.26 175.39 1rq8 s LEU 73 N 1.61 3.43 0.14 1.80 0.20 -1.26 0.27 118.68 124.87 1rq8 s LEU 73 Ca 0.00 1.79 0.06 0.00 0.69 0.00 0.00 54.13 56.68 1rq8 s LEU 73 Cb -0.15 -3.43 -0.12 0.00 -0.43 0.00 0.00 46.19 42.06 1rq8 s LEU 73 CO -0.08 -2.04 1.33 -0.37 -0.29 0.00 0.00 176.35 174.90 1rq8 h VAL 74 N 7.19 1.65 0.00 1.68 -1.51 -0.88 -3.47 116.25 120.91 1rq8 h VAL 74 Ca -0.39 -3.15 0.00 0.00 -1.23 0.00 0.00 66.70 61.93 1rq8 h VAL 74 Cb 1.24 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 33.12 1rq8 h VAL 74 CO 0.98 0.90 0.00 0.00 -1.23 0.00 0.00 177.57 178.22 1rq8 n GLN 75 N -3.46 -2.31 -4.79 5.19 6.02 -0.08 -4.80 117.38 113.16 1rq8 n GLN 75 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 1rq8 n GLN 75 Cb 0.89 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.98 1rq8 n GLN 75 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1rq8 s VAL 76 N -2.00 1.59 -0.16 5.09 1.01 -1.26 0.26 120.40 124.93 1rq8 s VAL 76 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1rq8 s VAL 76 Cb 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1rq8 s VAL 76 CO 0.00 0.46 -0.16 0.27 0.00 0.00 0.00 175.10 175.67 1rq8 s ILE 77 N 0.63 1.76 0.00 2.22 -5.25 0.25 -4.90 121.20 115.91 1rq8 s ILE 77 Ca -0.14 -0.78 0.00 0.00 -0.99 0.00 0.00 60.65 58.74 1rq8 s ILE 77 Cb -0.16 -1.64 0.00 0.00 2.95 0.00 0.00 42.46 43.61 1rq8 s ILE 77 CO 0.04 0.46 0.00 0.61 -1.79 0.00 0.00 174.94 174.27 1rq8 n GLY 78 N 4.71 2.91 1.51 6.27 0.00 -1.26 0.16 105.19 119.50 1rq8 n GLY 78 Ca -0.18 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 4.40 4.11 -4.31 1.61 7.64 -1.26 -4.89 113.62 120.92 1rq8 n SER 79 Ca 0.00 -2.71 -0.27 0.00 1.01 0.00 0.00 58.87 56.91 1rq8 n SER 79 Cb 0.00 -0.64 -0.14 0.00 -1.01 0.00 0.00 64.21 62.42 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 -2.20 1.40 -0.14 1.43 1.00 0.43 0.36 119.30 121.58 1rq8 s MET 80 Ca 0.37 -1.11 -0.03 0.00 0.00 0.00 0.00 55.69 54.92 1rq8 s MET 80 Cb 0.29 -1.65 -0.03 0.00 0.00 0.00 0.00 34.83 33.45 1rq8 s MET 80 CO 0.10 0.41 -0.03 0.42 0.00 0.00 0.00 175.02 175.92 1rq8 s ILE 81 N -0.95 3.97 -0.35 2.53 -1.09 0.58 0.86 121.20 126.75 1rq8 s ILE 81 Ca 0.09 -0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 58.09 1rq8 s ILE 81 Cb -0.10 -2.72 0.04 0.00 -1.58 0.00 0.00 42.46 38.10 1rq8 s ILE 81 CO 0.03 0.52 0.14 -0.69 -1.23 0.00 0.00 174.94 173.71 1rq8 s VAL 82 N 0.04 4.02 0.11 2.92 1.01 0.74 -0.31 120.40 128.93 1rq8 s VAL 82 Ca 0.01 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1rq8 s VAL 82 Cb -0.13 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1rq8 s VAL 82 CO 0.03 -0.20 -0.11 -0.63 0.00 0.00 0.00 175.10 174.19 1rq8 s ILE 83 N 1.45 1.09 -0.23 2.22 1.01 -0.78 -0.18 121.20 125.78 1rq8 s ILE 83 Ca -0.01 -1.73 0.02 0.00 0.00 0.00 0.00 60.65 58.94 1rq8 s ILE 83 Cb -0.19 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 40.84 1rq8 s ILE 83 CO 0.04 -0.54 -0.12 -0.47 0.00 0.00 0.00 174.94 173.84 1rq8 s TYR 84 N -2.49 2.99 0.27 3.97 5.04 0.14 -0.92 117.35 126.36 1rq8 s TYR 84 Ca 0.08 -2.04 -0.29 0.00 -2.44 0.00 0.00 57.07 52.38 1rq8 s TYR 84 Cb -0.03 -1.86 -0.09 0.00 0.35 0.00 0.00 41.96 40.33 1rq8 s TYR 84 CO 0.01 -0.84 1.00 0.50 -1.34 0.00 0.00 175.55 174.88 1rq8 s ARG 85 N 1.20 4.70 0.94 4.97 3.00 0.49 0.60 118.95 134.85 1rq8 s ARG 85 Ca -0.05 1.57 -0.24 0.00 -1.00 0.00 0.00 55.73 56.01 1rq8 s ARG 85 Cb -0.18 -3.13 -0.18 0.00 0.00 0.00 0.00 34.95 31.46 1rq8 s ARG 85 CO -0.07 0.34 -1.33 -0.85 0.00 0.00 0.00 175.30 173.40 1rq8 n GLU 86 N 1.16 0.00 -3.94 5.12 0.28 -1.26 -4.77 120.64 117.23 1rq8 n GLU 86 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.66 1rq8 n GLU 86 Cb 0.47 -0.94 -0.05 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.94 6.24 0.01 -1.84 0.01 -1.26 -4.90 113.70 111.01 1rq8 s SER 87 Ca 0.35 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1rq8 s SER 87 Cb 0.05 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1rq8 s SER 87 CO 0.65 0.26 0.00 1.17 0.41 0.00 0.00 173.24 175.73 1rq8 n LYS 88 N 0.95 0.00 -3.54 12.44 4.81 -1.26 -5.03 118.16 126.52 1rq8 n LYS 88 Ca -0.11 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.95 1rq8 n LYS 88 Cb 0.52 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.48 1rq8 n LYS 88 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1rq8 s GLU 89 N -2.00 4.03 -0.81 1.64 -6.30 -1.26 -4.96 118.70 109.03 1rq8 s GLU 89 Ca 0.00 -0.17 -0.20 0.00 -2.50 0.00 0.00 54.97 52.10 1rq8 s GLU 89 Cb 0.00 -3.61 -0.18 0.00 0.00 0.00 0.00 34.13 30.34 1rq8 s GLU 89 CO 0.00 -0.11 2.02 0.09 0.02 0.00 0.00 175.26 177.27 1rq8 n ASN 90 N 4.82 0.59 -4.96 -1.70 4.13 -1.26 -4.88 115.26 112.00 1rq8 n ASN 90 Ca -0.12 -1.82 -0.23 0.00 1.68 0.00 0.00 54.58 54.09 1rq8 n ASN 90 Cb 0.52 -1.39 -0.02 0.00 -1.54 0.00 0.00 39.78 37.34 1rq8 n ASN 90 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1rq8 s LYS 91 N 7.90 3.45 -0.88 3.52 2.20 -1.26 -4.94 119.74 129.73 1rq8 s LYS 91 Ca 0.77 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 55.49 1rq8 s LYS 91 Cb -0.15 -2.88 -0.21 0.00 -1.51 0.00 0.00 37.83 33.08 1rq8 s LYS 91 CO 0.17 0.42 1.94 -1.91 -0.36 0.00 0.00 175.35 175.61 1rq8 n GLU 92 N -1.17 0.75 -3.80 4.03 4.07 -1.26 -4.84 120.64 118.42 1rq8 n GLU 92 Ca -0.08 -1.84 -0.36 0.00 -0.06 0.00 0.00 57.16 54.82 1rq8 n GLU 92 Cb 0.56 -3.48 -0.13 0.00 -0.06 0.00 0.00 31.44 28.33 1rq8 n GLU 92 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1rq8 s ILE 93 N 11.87 3.95 0.07 6.31 -1.09 -1.26 -5.09 121.20 135.96 1rq8 s ILE 93 Ca 0.72 -0.37 0.07 0.00 -2.23 0.00 0.00 60.65 58.84 1rq8 s ILE 93 Cb 0.03 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 1rq8 s ILE 93 CO 0.19 0.32 -0.20 -0.70 -1.23 0.00 0.00 174.94 173.32 1rq8 s GLU 94 N 1.55 1.18 0.12 2.79 2.56 -1.26 -5.04 118.70 120.60 1rq8 s GLU 94 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 54.97 53.99 1rq8 s GLU 94 Cb -0.15 -1.35 0.00 0.00 2.00 0.00 0.00 34.13 34.63 1rq8 s GLU 94 CO 0.01 0.33 0.00 1.28 -0.56 0.00 0.00 175.26 176.32 1rq8 n LEU 95 N 1.44 -0.42 -0.76 2.70 4.32 -1.26 -4.47 117.00 118.55 1rq8 n LEU 95 Ca -0.19 0.22 0.13 0.00 -0.02 0.00 0.00 56.01 56.15 1rq8 n LEU 95 Cb 0.54 0.53 0.28 0.00 -1.62 0.00 0.00 43.42 43.15 1rq8 n LEU 95 CO 0.23 -0.51 0.73 -0.81 -1.22 0.00 0.00 177.39 175.80