#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 2.70 0.38 4.03 0.20 -1.26 -5.04 118.68 119.69 1rq8 s LEU 2 Ca 0.00 -0.72 0.07 0.00 0.69 0.00 0.00 54.13 54.16 1rq8 s LEU 2 Cb 0.00 -1.41 -0.07 0.00 -0.43 0.00 0.00 46.19 44.27 1rq8 s LEU 2 CO 0.00 0.11 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.28 1rq8 s THR 3 N -1.69 1.86 0.00 3.68 2.01 -1.26 -5.00 115.64 115.23 1rq8 s THR 3 Ca 0.23 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 60.19 1rq8 s THR 3 Cb -0.08 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1rq8 s THR 3 CO 0.12 -0.05 0.96 0.61 -0.69 0.00 0.00 174.62 175.58 1rq8 n GLY 4 N -0.87 -3.02 0.42 4.40 0.00 -1.26 -1.28 105.19 103.57 1rq8 n GLY 4 Ca -0.04 0.47 0.22 0.00 0.00 0.00 0.00 46.02 46.66 1rq8 n GLY 4 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rq8 h LYS 5 N 0.00 0.26 0.00 1.61 2.10 -1.97 0.40 116.57 118.97 1rq8 h LYS 5 Ca 0.00 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 1rq8 h LYS 5 Cb 0.00 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1rq8 h LYS 5 CO 0.00 0.17 -0.16 1.96 -2.00 0.00 0.00 179.45 179.42 1rq8 h GLN 6 N 0.26 0.00 0.08 0.07 4.20 -1.50 -3.12 115.11 115.11 1rq8 h GLN 6 Ca 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.15 1rq8 h GLN 6 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1rq8 h GLN 6 CO -0.12 0.16 -0.04 -0.22 -0.67 0.00 0.00 178.83 177.94 1rq8 h LYS 7 N 0.00 -0.11 -0.31 1.46 3.64 0.12 -2.19 116.57 119.17 1rq8 h LYS 7 Ca -0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1rq8 h LYS 7 Cb 0.63 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 1rq8 h LYS 7 CO 0.02 0.40 -0.20 0.00 -2.27 0.00 0.00 179.45 177.40 1rq8 h ARG 8 N -0.71 -0.16 0.44 1.90 3.08 -1.47 1.81 114.38 119.26 1rq8 h ARG 8 Ca -0.01 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1rq8 h ARG 8 Cb 0.56 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1rq8 h ARG 8 CO 0.02 -0.11 -0.21 1.88 -1.07 0.00 0.00 179.97 180.48 1rq8 h TYR 9 N -0.17 -0.54 -0.06 3.04 0.05 -1.62 -3.06 116.97 114.60 1rq8 h TYR 9 Ca 0.16 -0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.75 1rq8 h TYR 9 Cb 0.42 0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.35 1rq8 h TYR 9 CO -0.40 -0.32 -0.67 1.25 -1.05 0.00 0.00 178.16 176.96 1rq8 h LEU 10 N -0.62 0.70 -1.89 3.88 6.46 -1.06 -3.04 115.31 119.74 1rq8 h LEU 10 Ca -0.06 -0.69 0.21 0.00 -0.12 0.00 0.00 57.88 57.22 1rq8 h LEU 10 Cb 0.47 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1rq8 h LEU 10 CO 0.10 1.29 0.54 0.08 -0.62 0.00 0.00 178.44 179.83 1rq8 h ARG 11 N 0.17 0.09 0.11 1.25 -0.00 0.27 0.11 114.38 116.38 1rq8 h ARG 11 Ca -0.07 -0.01 -0.27 0.00 -0.00 0.00 0.00 59.98 59.64 1rq8 h ARG 11 Cb 1.34 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 31.28 1rq8 h ARG 11 CO 0.14 0.06 -1.27 0.77 -0.00 0.00 0.00 179.97 179.67 1rq8 h SER 12 N 0.10 0.36 -0.18 0.08 0.02 -1.53 -3.33 113.55 109.06 1rq8 h SER 12 Ca 0.37 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1rq8 h SER 12 Cb 1.34 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1rq8 h SER 12 CO -0.04 1.32 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.86 1rq8 h LEU 13 N 0.06 -0.17 -1.59 5.07 -0.00 -0.86 -1.72 115.31 116.12 1rq8 h LEU 13 Ca -0.14 0.05 0.10 0.00 -0.00 0.00 0.00 57.88 57.90 1rq8 h LEU 13 Cb 1.96 0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 42.69 1rq8 h LEU 13 CO 0.19 -0.06 0.43 0.00 -0.00 0.00 0.00 178.44 179.00 1rq8 h ALA 14 N 1.18 1.98 -0.28 1.53 0.00 -1.64 0.03 119.26 122.07 1rq8 h ALA 14 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1rq8 h ALA 14 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rq8 h ALA 14 CO -0.19 -0.13 0.37 1.25 0.00 0.00 0.00 179.25 180.56 1rq8 h HIS 15 N 0.46 0.00 0.00 0.00 6.17 -1.41 -0.07 115.15 120.30 1rq8 h HIS 15 Ca 0.30 0.00 -0.14 0.00 0.71 0.00 0.00 60.37 61.24 1rq8 h HIS 15 Cb 0.55 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.45 1rq8 h HIS 15 CO -0.00 0.00 -2.12 -1.71 0.71 0.00 0.00 177.93 174.81 1rq8 n ASN 16 N -3.56 0.03 -4.44 3.26 5.15 -0.03 -4.96 115.26 110.71 1rq8 n ASN 16 Ca 0.04 0.01 -0.29 0.00 -0.60 0.00 0.00 54.58 53.74 1rq8 n ASN 16 Cb 0.51 1.57 0.18 0.00 -0.53 0.00 0.00 39.78 41.51 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 -3.12 1.89 0.04 -1.44 1.01 -0.04 -5.05 121.20 114.49 1rq8 s ILE 17 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1rq8 s ILE 17 Cb 0.11 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1rq8 s ILE 17 CO 0.88 0.00 -0.03 -1.81 0.00 0.00 0.00 174.94 173.97 1rq8 s ASP 18 N -3.88 4.85 0.13 3.58 1.11 -1.26 -4.92 116.67 116.27 1rq8 s ASP 18 Ca 0.67 -0.14 -0.26 0.00 0.18 0.00 0.00 52.55 53.00 1rq8 s ASP 18 Cb -0.14 -1.15 -0.07 0.00 1.07 0.00 0.00 42.92 42.63 1rq8 s ASP 18 CO 0.55 0.24 0.80 -2.16 1.18 0.00 0.00 175.17 175.78 1rq8 s PRO 19 N -1.79 4.57 0.00 8.23 0.04 -1.25 -4.57 135.00 140.23 1rq8 s PRO 19 Ca 0.21 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1rq8 s PRO 19 Cb -0.11 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1rq8 s PRO 19 CO 0.12 0.45 0.00 -0.89 0.04 0.00 0.00 177.00 176.72 1rq8 n ILE 20 N 2.06 0.00 -4.77 0.56 -0.00 -1.26 -5.02 119.36 110.93 1rq8 n ILE 20 Ca -0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.38 1rq8 n ILE 20 Cb 0.49 0.38 -0.13 0.00 -0.00 0.00 0.00 39.64 40.38 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 -1.82 2.80 -0.07 1.39 -0.12 -1.26 -4.99 117.98 113.92 1rq8 s PHE 21 Ca 0.00 -0.22 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 1rq8 s PHE 21 Cb 0.00 -1.71 0.02 0.00 -0.63 0.00 0.00 43.02 40.70 1rq8 s PHE 21 CO 0.00 0.13 -0.07 -0.65 -0.05 0.00 0.00 175.22 174.58 1rq8 s GLN 22 N -0.46 1.24 0.35 1.99 -1.52 -1.26 -2.96 119.66 117.03 1rq8 s GLN 22 Ca 0.06 -0.22 -0.25 0.00 -1.95 0.00 0.00 55.36 53.00 1rq8 s GLN 22 Cb -0.12 -1.18 -0.10 0.00 -0.22 0.00 0.00 33.01 31.40 1rq8 s GLN 22 CO 0.02 -0.09 0.98 0.42 -0.25 0.00 0.00 175.29 176.36 1rq8 s ILE 23 N 1.05 4.07 0.59 1.08 -1.09 -0.30 -4.90 121.20 121.70 1rq8 s ILE 23 Ca -0.08 1.64 -0.06 0.00 -2.23 0.00 0.00 60.65 59.91 1rq8 s ILE 23 Cb -0.14 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1rq8 s ILE 23 CO -0.00 0.06 0.91 -0.83 -1.23 0.00 0.00 174.94 173.84 1rq8 s GLY 24 N -1.64 1.60 -0.66 6.18 0.00 -1.26 -2.40 107.32 109.14 1rq8 s GLY 24 Ca 0.53 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 44.35 1rq8 s GLY 24 CO 0.24 -0.36 1.23 1.25 0.00 0.00 0.00 173.10 175.46 1rq8 s LYS 25 N -5.00 3.34 0.00 2.90 2.20 -1.25 -3.81 119.74 118.11 1rq8 s LYS 25 Ca 0.54 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1rq8 s LYS 25 Cb -0.11 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 1rq8 s LYS 25 CO 0.46 -1.91 0.00 0.41 -0.36 0.00 0.00 175.35 173.94 1rq8 n GLY 26 N 5.23 1.23 0.00 5.54 0.00 -1.26 -5.08 105.19 110.84 1rq8 n GLY 26 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 2.96 3.64 -0.02 0.00 -1.25 -5.08 105.19 105.44 1rq8 n GLY 27 Ca 0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 3.53 -0.11 -0.61 1.01 -1.26 -4.60 121.20 117.15 1rq8 s ILE 28 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.21 1rq8 s ILE 28 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1rq8 s ILE 28 CO 0.00 -0.18 0.04 0.20 0.00 0.00 0.00 174.94 175.00 1rq8 s ASN 29 N 4.47 5.51 0.50 3.58 -0.87 -1.26 -4.98 114.94 121.90 1rq8 s ASN 29 Ca 0.77 0.19 0.25 0.00 -1.57 0.00 0.00 52.86 52.50 1rq8 s ASN 29 Cb -0.30 -1.69 1.34 0.00 -0.02 0.00 0.00 41.25 40.58 1rq8 s ASN 29 CO 0.31 0.34 1.93 -0.08 -2.57 0.00 0.00 177.10 177.03 1rq8 h GLU 30 N 5.46 0.11 -1.00 -0.60 4.81 -1.98 0.20 114.58 121.57 1rq8 h GLU 30 Ca -0.48 -0.01 0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1rq8 h GLU 30 Cb 1.20 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.45 1rq8 h GLU 30 CO 0.58 0.07 0.62 -0.91 -0.73 0.00 0.00 179.01 178.64 1rq8 h ASN 31 N 0.11 0.69 -0.07 1.04 4.21 -1.99 1.46 115.58 121.02 1rq8 h ASN 31 Ca 0.36 0.10 -0.24 0.00 1.21 0.00 0.00 56.30 57.72 1rq8 h ASN 31 Cb 1.25 -0.02 0.01 0.00 -1.12 0.00 0.00 38.32 38.44 1rq8 h ASN 31 CO -0.04 0.21 -0.89 0.24 -1.29 0.00 0.00 177.43 175.65 1rq8 h MET 32 N 0.65 0.75 0.00 0.81 2.86 -0.96 -3.00 114.93 116.03 1rq8 h MET 32 Ca 0.58 -0.69 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1rq8 h MET 32 Cb 1.06 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1rq8 h MET 32 CO -0.37 1.28 -0.33 0.82 1.06 0.00 0.00 176.91 179.37 1rq8 h ILE 33 N 0.48 1.15 -0.48 -1.22 2.04 -0.02 0.12 117.51 119.57 1rq8 h ILE 33 Ca -0.09 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.63 1rq8 h ILE 33 Cb 1.53 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 1rq8 h ILE 33 CO 0.18 0.33 0.27 0.11 0.00 0.00 0.00 178.15 179.03 1rq8 h LYS 34 N 0.00 0.51 0.19 2.37 1.79 0.19 1.72 116.57 123.34 1rq8 h LYS 34 Ca -0.00 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1rq8 h LYS 34 Cb 0.62 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1rq8 h LYS 34 CO 0.04 0.34 -0.09 0.37 -1.08 0.00 0.00 179.45 179.03 1rq8 h GLN 35 N 0.53 -0.24 -0.63 3.15 4.15 -1.34 -2.80 115.11 117.94 1rq8 h GLN 35 Ca 0.20 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.82 1rq8 h GLN 35 Cb 0.07 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1rq8 h GLN 35 CO -0.12 0.14 0.45 0.82 -1.93 0.00 0.00 178.83 178.19 1rq8 h ILE 36 N -0.71 0.70 0.27 2.39 2.04 -0.38 0.46 117.51 122.28 1rq8 h ILE 36 Ca -0.03 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1rq8 h ILE 36 Cb 0.49 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1rq8 h ILE 36 CO 0.04 0.00 -0.34 0.44 0.00 0.00 0.00 178.15 178.30 1rq8 h ASP 37 N 0.03 -0.95 -0.16 1.72 3.32 0.29 0.81 116.42 121.48 1rq8 h ASP 37 Ca 0.30 0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.27 1rq8 h ASP 37 Cb 1.16 0.33 0.01 0.00 0.22 0.00 0.00 39.33 41.05 1rq8 h ASP 37 CO -0.01 -0.46 -0.57 -0.78 -1.72 0.00 0.00 179.24 175.69 1rq8 h ASP 38 N -0.66 0.79 -0.88 6.45 3.58 -1.27 0.72 116.42 125.16 1rq8 h ASP 38 Ca -0.00 -0.60 0.07 0.00 0.42 0.00 0.00 57.03 56.91 1rq8 h ASP 38 Cb 0.63 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.39 1rq8 h ASP 38 CO -0.11 1.26 0.57 0.74 -2.88 0.00 0.00 179.24 178.82 1rq8 h THR 39 N 0.37 1.04 0.09 2.25 2.02 -0.74 -1.90 112.91 116.04 1rq8 h THR 39 Ca -0.03 -0.33 -0.32 0.00 0.77 0.00 0.00 66.41 66.51 1rq8 h THR 39 Cb 1.20 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1rq8 h THR 39 CO 0.12 0.18 -1.71 0.25 0.37 0.00 0.00 175.52 174.72 1rq8 h LEU 40 N 0.96 0.31 -2.00 2.58 5.85 0.72 -3.02 115.31 120.71 1rq8 h LEU 40 Ca 0.39 -0.82 0.06 0.00 0.84 0.00 0.00 57.88 58.35 1rq8 h LEU 40 Cb 0.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1rq8 h LEU 40 CO -0.15 1.73 0.38 -0.08 -0.34 0.00 0.00 178.44 179.98 1rq8 h GLU 41 N -0.27 0.00 0.00 1.25 4.81 0.63 -2.66 114.58 118.35 1rq8 h GLU 41 Ca -0.39 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.63 1rq8 h GLU 41 Cb 1.81 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.15 1rq8 h GLU 41 CO 0.01 0.00 -1.39 -1.71 -0.73 0.00 0.00 179.01 175.19 1rq8 n ASN 42 N -3.36 1.88 -2.82 1.04 5.15 -0.73 -4.98 115.26 111.45 1rq8 n ASN 42 Ca 0.03 0.44 -0.12 0.00 -0.60 0.00 0.00 54.58 54.33 1rq8 n ASN 42 Cb 0.50 -0.88 0.08 0.00 -0.53 0.00 0.00 39.78 38.95 1rq8 n ASN 42 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rq8 n ARG 43 N -4.43 -0.43 0.00 1.20 1.74 -1.00 -5.04 116.66 108.70 1rq8 n ARG 43 Ca -0.30 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 1rq8 n ARG 43 Cb 0.62 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 1rq8 n ARG 43 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rq8 n GLU 44 N -2.11 3.21 -4.56 5.56 0.00 -1.26 -4.81 120.64 116.66 1rq8 n GLU 44 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.91 1rq8 n GLU 44 Cb 0.24 -0.99 -0.11 0.00 0.00 0.00 0.00 31.44 30.58 1rq8 n GLU 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1rq8 s LEU 45 N -4.10 3.02 -0.18 -1.84 2.96 -1.26 -2.92 118.68 114.35 1rq8 s LEU 45 Ca 0.00 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1rq8 s LEU 45 Cb 0.00 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 45.05 1rq8 s LEU 45 CO 0.00 0.29 0.17 0.27 -1.32 0.00 0.00 176.35 175.77 1rq8 s ILE 46 N -0.93 -0.24 -0.51 6.68 -4.36 -1.14 -5.01 121.20 115.68 1rq8 s ILE 46 Ca 0.15 -0.10 -0.22 0.00 -0.26 0.00 0.00 60.65 60.23 1rq8 s ILE 46 Cb -0.11 -0.62 0.04 0.00 1.25 0.00 0.00 42.46 43.03 1rq8 s ILE 46 CO 0.06 -0.21 0.77 -1.59 0.24 0.00 0.00 174.94 174.21 1rq8 s LYS 47 N 2.26 3.26 -0.01 0.37 -2.85 -1.26 -3.13 119.74 118.38 1rq8 s LYS 47 Ca 0.05 -0.48 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 1rq8 s LYS 47 Cb -0.16 -4.04 -0.04 0.00 -2.06 0.00 0.00 37.83 31.53 1rq8 s LYS 47 CO -0.11 -1.28 0.16 0.08 0.10 0.00 0.00 175.35 174.30 1rq8 s VAL 48 N 3.25 5.29 -0.12 1.79 1.01 -0.23 -3.83 120.40 127.56 1rq8 s VAL 48 Ca 0.24 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1rq8 s VAL 48 Cb -0.15 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1rq8 s VAL 48 CO 0.17 0.34 0.25 -2.28 0.00 0.00 0.00 175.10 173.58 1rq8 s HIS 49 N -1.29 3.54 -0.06 5.22 2.46 -1.16 0.20 115.29 124.21 1rq8 s HIS 49 Ca 0.26 0.61 0.03 0.00 0.47 0.00 0.00 55.06 56.43 1rq8 s HIS 49 Cb -0.12 -2.19 -0.03 0.00 -0.13 0.00 0.00 32.58 30.11 1rq8 s HIS 49 CO 0.17 0.46 -0.12 0.08 -2.47 0.00 0.00 174.74 172.86 1rq8 s VAL 50 N -0.26 3.22 -0.21 0.89 1.01 0.16 -1.15 120.40 124.07 1rq8 s VAL 50 Ca 0.16 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1rq8 s VAL 50 Cb -0.13 -2.28 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1rq8 s VAL 50 CO 0.05 0.59 2.02 0.18 0.00 0.00 0.00 175.10 177.93 1rq8 n LEU 51 N 2.38 6.09 -0.08 3.92 7.99 -1.01 -4.11 117.00 132.18 1rq8 n LEU 51 Ca -0.17 -3.00 -0.10 0.00 -0.01 0.00 0.00 56.01 52.73 1rq8 n LEU 51 Cb 0.52 -1.08 -0.16 0.00 -0.11 0.00 0.00 43.42 42.59 1rq8 n LEU 51 CO 0.26 1.16 -1.01 1.67 -1.51 0.00 0.00 177.39 177.96 1rq8 n GLN 52 N 0.75 0.68 -1.19 3.23 -0.06 -1.26 -3.95 117.38 115.57 1rq8 n GLN 52 Ca 0.20 0.06 -0.07 0.00 -2.00 0.00 0.00 57.00 55.20 1rq8 n GLN 52 Cb 0.55 -1.59 -0.03 0.00 -4.06 0.00 0.00 30.24 25.12 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 -2.82 -5.61 -4.40 1.69 2.85 -1.26 -4.95 115.26 100.76 1rq8 n ASN 53 Ca -0.29 0.16 -0.21 0.00 -0.11 0.00 0.00 54.58 54.13 1rq8 n ASN 53 Cb 1.13 -3.69 -0.10 0.00 1.24 0.00 0.00 39.78 38.37 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 -2.27 2.89 -0.13 1.20 2.47 -1.26 -5.07 114.94 112.78 1rq8 s ASN 54 Ca 0.00 -1.07 -0.06 0.00 0.42 0.00 0.00 52.86 52.15 1rq8 s ASN 54 Cb 0.00 -0.19 -0.03 0.00 -1.45 0.00 0.00 41.25 39.59 1rq8 s ASN 54 CO 0.00 -0.17 -0.08 0.15 -3.72 0.00 0.00 177.10 173.28 1rq8 h PHE 55 N 2.40 0.00 0.00 0.43 3.57 -1.93 -3.04 116.94 118.37 1rq8 h PHE 55 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1rq8 h PHE 55 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1rq8 h PHE 55 CO 0.73 0.05 0.00 -3.47 -2.23 0.00 0.00 178.31 173.39 1rq8 n ASP 56 N -4.68 0.54 -0.04 0.41 2.03 -1.26 -2.77 116.55 110.78 1rq8 n ASP 56 Ca -0.05 0.64 -0.20 0.00 0.52 0.00 0.00 54.79 55.70 1rq8 n ASP 56 Cb 0.17 -0.75 -0.13 0.00 -0.72 0.00 0.00 41.12 39.69 1rq8 n ASP 56 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1rq8 h ASP 57 N 0.00 0.19 -0.41 1.67 1.82 -1.98 -3.11 116.42 114.61 1rq8 h ASP 57 Ca 0.00 -0.79 0.08 0.00 -0.39 0.00 0.00 57.03 55.93 1rq8 h ASP 57 Cb 0.33 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1rq8 h ASP 57 CO 0.00 1.44 0.28 0.11 -1.61 0.00 0.00 179.24 179.47 1rq8 h LYS 58 N -0.65 0.22 -0.16 0.28 1.57 -1.41 -1.00 116.57 115.42 1rq8 h LYS 58 Ca -0.25 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1rq8 h LYS 58 Cb 1.47 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 1rq8 h LYS 58 CO -0.03 0.14 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.74 1rq8 h LYS 59 N 0.22 0.31 -0.57 3.15 3.64 -1.61 -2.72 116.57 118.99 1rq8 h LYS 59 Ca 0.19 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1rq8 h LYS 59 Cb 0.46 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1rq8 h LYS 59 CO -0.03 0.58 0.22 1.49 -2.27 0.00 0.00 179.45 179.44 1rq8 h GLU 60 N 0.01 0.39 -0.29 1.90 4.81 -1.13 -1.32 114.58 118.95 1rq8 h GLU 60 Ca 0.04 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1rq8 h GLU 60 Cb 0.47 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 1rq8 h GLU 60 CO 0.02 0.26 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.39 1rq8 h LEU 61 N 0.40 -0.32 -2.03 1.64 4.07 -1.28 0.44 115.31 118.23 1rq8 h LEU 61 Ca 0.28 0.09 0.12 0.00 0.08 0.00 0.00 57.88 58.46 1rq8 h LEU 61 Cb 0.32 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1rq8 h LEU 61 CO -0.28 -0.12 0.40 0.00 -1.08 0.00 0.00 178.44 177.36 1rq8 h ALA 62 N 1.26 2.17 -0.91 1.53 0.00 -0.94 0.99 119.26 123.36 1rq8 h ALA 62 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rq8 h ALA 62 Cb 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1rq8 h ALA 62 CO -0.32 -0.61 0.56 1.49 0.00 0.00 0.00 179.25 180.37 1rq8 h GLU 63 N 0.00 1.22 0.07 0.00 4.22 0.49 1.48 114.58 122.06 1rq8 h GLU 63 Ca 0.20 -0.10 -0.32 0.00 0.08 0.00 0.00 59.36 59.22 1rq8 h GLU 63 Cb 0.99 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1rq8 h GLU 63 CO -0.00 0.85 -1.75 1.15 -2.18 0.00 0.00 179.01 177.08 1rq8 h THR 64 N 1.25 0.86 0.06 0.32 2.02 0.19 -3.07 112.91 114.54 1rq8 h THR 64 Ca 0.33 -2.62 -0.00 0.00 0.77 0.00 0.00 66.41 64.88 1rq8 h THR 64 Cb -0.07 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1rq8 h THR 64 CO -0.06 0.71 -0.03 -0.07 0.37 0.00 0.00 175.52 176.44 1rq8 h LEU 65 N 0.04 -0.07 -0.53 2.58 3.38 0.11 -1.20 115.31 119.62 1rq8 h LEU 65 Ca -0.31 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.14 1rq8 h LEU 65 Cb 2.01 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.74 1rq8 h LEU 65 CO 0.10 0.57 0.29 -1.28 0.09 0.00 0.00 178.44 178.22 1rq8 h SER 66 N -0.78 0.45 0.34 -0.43 0.87 0.19 0.68 113.55 114.86 1rq8 h SER 66 Ca -0.01 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1rq8 h SER 66 Cb 0.62 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1rq8 h SER 66 CO 0.01 0.31 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.91 1rq8 h GLU 67 N 0.57 0.07 -0.00 2.24 4.39 -1.61 -2.61 114.58 117.64 1rq8 h GLU 67 Ca 0.22 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1rq8 h GLU 67 Cb 0.08 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1rq8 h GLU 67 CO -0.13 0.44 -0.51 0.00 -1.16 0.00 0.00 179.01 177.66 1rq8 n ALA 68 N -2.47 3.57 0.57 3.43 0.00 -0.45 -3.82 120.51 121.34 1rq8 n ALA 68 Ca -0.02 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.18 1rq8 n ALA 68 Cb 0.43 -1.11 0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.46 0.30 -2.73 0.00 -2.24 0.23 -4.93 114.28 103.45 1rq8 n THR 69 Ca 0.06 -0.65 -0.16 0.00 -2.27 0.00 0.00 64.05 61.03 1rq8 n THR 69 Cb 0.34 1.19 -0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.42 -2.73 -4.03 -0.78 1.74 -1.10 -4.92 116.66 106.27 1rq8 n ARG 70 Ca 0.17 0.58 -0.23 0.00 -0.77 0.00 0.00 57.85 57.59 1rq8 n ARG 70 Cb 0.60 -5.22 -0.05 0.00 -1.02 0.00 0.00 32.46 26.76 1rq8 n ARG 70 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1rq8 n SER 71 N -1.98 2.33 -3.88 0.55 2.88 -1.18 -3.80 113.62 108.54 1rq8 n SER 71 Ca -0.11 -2.74 -0.27 0.00 -1.33 0.00 0.00 58.87 54.43 1rq8 n SER 71 Cb 0.59 0.49 -0.17 0.00 -0.75 0.00 0.00 64.21 64.38 1rq8 n SER 71 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1rq8 s GLU 72 N -3.36 1.38 -0.36 -1.46 0.41 0.17 -4.71 118.70 110.78 1rq8 s GLU 72 Ca 0.07 -0.28 -0.27 0.00 -0.41 0.00 0.00 54.97 54.07 1rq8 s GLU 72 Cb 0.00 -1.64 -0.06 0.00 -1.78 0.00 0.00 34.13 30.66 1rq8 s GLU 72 CO 0.05 -0.32 2.27 -1.17 -0.49 0.00 0.00 175.26 175.60 1rq8 s LEU 73 N 1.72 3.42 0.29 1.80 0.20 -1.26 -0.26 118.68 124.60 1rq8 s LEU 73 Ca 0.04 1.46 0.12 0.00 0.69 0.00 0.00 54.13 56.44 1rq8 s LEU 73 Cb -0.13 -3.05 0.40 0.00 -0.43 0.00 0.00 46.19 42.98 1rq8 s LEU 73 CO -0.08 -2.37 1.62 -0.37 -0.29 0.00 0.00 176.35 174.87 1rq8 h VAL 74 N 7.37 1.32 0.00 1.68 -1.51 -1.07 -3.47 116.25 120.55 1rq8 h VAL 74 Ca -0.33 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 1rq8 h VAL 74 Cb 1.25 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 1rq8 h VAL 74 CO 1.06 0.57 0.00 1.67 -1.23 0.00 0.00 177.57 179.63 1rq8 n GLN 75 N -3.71 -2.69 -3.97 5.19 7.27 -0.46 -4.84 117.38 114.17 1rq8 n GLN 75 Ca -0.01 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 1rq8 n GLN 75 Cb 0.61 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.10 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 -2.24 1.46 -0.66 1.69 1.01 -1.26 0.26 120.40 120.67 1rq8 s VAL 76 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 1rq8 s VAL 76 Cb 0.00 -1.52 0.09 0.00 0.00 0.00 0.00 36.38 34.96 1rq8 s VAL 76 CO 0.00 0.24 0.86 -0.63 0.00 0.00 0.00 175.10 175.57 1rq8 s ILE 77 N 1.49 4.60 0.00 2.22 1.01 0.47 -4.86 121.20 126.13 1rq8 s ILE 77 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1rq8 s ILE 77 Cb -0.15 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.72 1rq8 s ILE 77 CO -0.09 -1.31 0.00 0.61 0.00 0.00 0.00 174.94 174.15 1rq8 n GLY 78 N 5.30 2.44 0.36 6.18 0.00 -1.26 0.17 105.19 118.38 1rq8 n GLY 78 Ca -0.04 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.38 1rq8 n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rq8 n SER 79 N 5.59 1.00 -4.37 1.61 2.88 -1.26 -4.82 113.62 114.25 1rq8 n SER 79 Ca 0.00 -2.02 -0.27 0.00 -1.33 0.00 0.00 58.87 55.25 1rq8 n SER 79 Cb 0.00 -0.16 -0.13 0.00 -0.75 0.00 0.00 64.21 63.18 1rq8 n SER 79 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1rq8 s MET 80 N -1.74 1.36 -0.12 -1.46 1.00 0.46 0.40 119.30 119.20 1rq8 s MET 80 Ca 0.11 -1.34 -0.02 0.00 0.00 0.00 0.00 55.69 54.43 1rq8 s MET 80 Cb 0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 34.83 33.10 1rq8 s MET 80 CO 0.07 0.41 -0.03 0.42 0.00 0.00 0.00 175.02 175.88 1rq8 s ILE 81 N -1.23 3.97 -0.41 2.53 1.01 0.52 0.18 121.20 127.77 1rq8 s ILE 81 Ca 0.14 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1rq8 s ILE 81 Cb -0.09 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1rq8 s ILE 81 CO 0.06 0.55 0.27 -0.69 0.00 0.00 0.00 174.94 175.13 1rq8 s VAL 82 N -0.25 4.83 0.06 2.92 1.01 0.74 -1.07 120.40 128.64 1rq8 s VAL 82 Ca 0.05 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1rq8 s VAL 82 Cb -0.13 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1rq8 s VAL 82 CO 0.02 -0.35 -0.22 -0.63 0.00 0.00 0.00 175.10 173.93 1rq8 s ILE 83 N 1.59 1.75 -0.28 2.22 1.01 -1.19 -0.44 121.20 125.87 1rq8 s ILE 83 Ca 0.03 -1.34 -0.02 0.00 0.00 0.00 0.00 60.65 59.32 1rq8 s ILE 83 Cb -0.20 -1.54 0.04 0.00 0.01 0.00 0.00 42.46 40.76 1rq8 s ILE 83 CO 0.07 0.14 -0.02 -0.47 0.00 0.00 0.00 174.94 174.66 1rq8 s TYR 84 N -0.91 3.19 0.29 3.97 5.04 0.65 -2.89 117.35 126.69 1rq8 s TYR 84 Ca 0.08 -1.73 -0.28 0.00 -2.44 0.00 0.00 57.07 52.70 1rq8 s TYR 84 Cb -0.09 -2.09 -0.09 0.00 0.35 0.00 0.00 41.96 40.03 1rq8 s TYR 84 CO 0.03 -0.77 1.04 0.50 -1.34 0.00 0.00 175.55 175.01 1rq8 s ARG 85 N 1.29 4.61 0.82 4.97 3.52 -1.15 -0.66 118.95 132.35 1rq8 s ARG 85 Ca -0.03 1.64 -0.16 0.00 -0.13 0.00 0.00 55.73 57.04 1rq8 s ARG 85 Cb -0.18 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 30.05 1rq8 s ARG 85 CO -0.02 0.23 -0.79 -0.85 -0.81 0.00 0.00 175.30 173.06 1rq8 n GLU 86 N 0.99 -0.24 -3.66 5.12 0.28 -1.25 -4.92 120.64 116.96 1rq8 n GLU 86 Ca -0.00 -0.07 -0.35 0.00 -0.16 0.00 0.00 57.16 56.58 1rq8 n GLU 86 Cb 0.47 -1.07 -0.05 0.00 1.43 0.00 0.00 31.44 32.21 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 -1.11 6.57 0.00 -1.84 0.01 -1.26 -4.91 113.70 111.16 1rq8 s SER 87 Ca 0.24 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1rq8 s SER 87 Cb 0.05 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1rq8 s SER 87 CO 0.40 0.21 0.00 1.17 0.41 0.00 0.00 173.24 175.43 1rq8 n LYS 88 N 1.02 0.00 -4.03 12.44 4.81 -1.26 -5.05 118.16 126.09 1rq8 n LYS 88 Ca -0.10 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.99 1rq8 n LYS 88 Cb 0.53 -0.05 -0.13 0.00 0.02 0.00 0.00 35.03 35.39 1rq8 n LYS 88 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1rq8 s GLU 89 N -1.82 3.55 -0.80 1.64 0.41 -1.26 -5.00 118.70 115.42 1rq8 s GLU 89 Ca 0.00 -0.55 -0.20 0.00 -0.41 0.00 0.00 54.97 53.81 1rq8 s GLU 89 Cb 0.00 -3.07 -0.18 0.00 -1.78 0.00 0.00 34.13 29.10 1rq8 s GLU 89 CO 0.00 -0.05 2.00 0.27 -0.49 0.00 0.00 175.26 177.00 1rq8 n ASN 90 N 4.41 0.55 -4.95 -0.19 6.94 -1.26 -4.88 115.26 115.87 1rq8 n ASN 90 Ca -0.17 -1.81 -0.22 0.00 -0.02 0.00 0.00 54.58 52.36 1rq8 n ASN 90 Cb 0.52 -1.38 -0.02 0.00 -2.36 0.00 0.00 39.78 36.53 1rq8 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rq8 s LYS 91 N 7.86 3.39 -0.65 -3.83 -0.14 -1.26 -4.95 119.74 120.15 1rq8 s LYS 91 Ca 0.76 -0.76 -0.26 0.00 -1.36 0.00 0.00 55.97 54.34 1rq8 s LYS 91 Cb -0.15 -2.87 -0.24 0.00 -1.68 0.00 0.00 37.83 32.89 1rq8 s LYS 91 CO 0.17 0.44 1.85 -1.91 -0.76 0.00 0.00 175.35 175.14 1rq8 n GLU 92 N -1.25 0.71 -4.53 1.68 0.00 -1.26 -4.85 120.64 111.14 1rq8 n GLU 92 Ca -0.09 -1.64 -0.34 0.00 0.00 0.00 0.00 57.16 55.09 1rq8 n GLU 92 Cb 0.57 -3.15 -0.11 0.00 0.00 0.00 0.00 31.44 28.75 1rq8 n GLU 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1rq8 s ILE 93 N 9.50 3.94 -0.08 6.31 -1.09 -1.26 -5.11 121.20 133.40 1rq8 s ILE 93 Ca 0.69 -0.39 -0.05 0.00 -2.23 0.00 0.00 60.65 58.67 1rq8 s ILE 93 Cb 0.08 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1rq8 s ILE 93 CO 0.22 0.60 0.14 -0.70 -1.23 0.00 0.00 174.94 173.97 1rq8 s GLU 94 N -0.80 3.40 -0.34 2.79 2.12 -1.26 -5.01 118.70 119.60 1rq8 s GLU 94 Ca 0.12 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.22 1rq8 s GLU 94 Cb -0.11 -3.13 0.27 0.00 0.26 0.00 0.00 34.13 31.42 1rq8 s GLU 94 CO 0.02 0.74 1.22 -0.11 -0.54 0.00 0.00 175.26 176.59 1rq8 n LEU 95 N 1.65 -1.39 0.00 2.70 7.94 -1.26 -4.71 117.00 121.93 1rq8 n LEU 95 Ca -0.17 -1.88 0.08 0.00 -1.11 0.00 0.00 56.01 52.93 1rq8 n LEU 95 Cb 0.54 0.59 0.49 0.00 0.53 0.00 0.00 43.42 45.57 1rq8 n LEU 95 CO 0.35 1.60 0.69 -0.81 -1.11 0.00 0.00 177.39 178.12